#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n SER 9 N 0.00 -4.88 -0.10 1.45 2.88 -1.26 -4.36 113.62 107.36 2wb1 n SER 9 Ca 0.00 0.88 -0.16 0.00 -1.33 0.00 0.00 58.87 58.26 2wb1 n SER 9 Cb 0.00 -3.06 -0.08 0.00 -0.75 0.00 0.00 64.21 60.33 2wb1 n SER 9 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2wb1 n ILE 10 N -3.46 1.49 -0.23 2.46 5.41 -1.26 -2.75 119.36 121.02 2wb1 n ILE 10 Ca -0.06 0.03 0.02 0.00 1.00 0.00 0.00 62.75 63.74 2wb1 n ILE 10 Cb 0.42 -2.15 0.14 0.00 -0.71 0.00 0.00 39.64 37.34 2wb1 n ILE 10 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2wb1 h ASP 11 N -1.00 0.24 -0.13 4.38 3.45 -1.99 0.17 116.42 121.55 2wb1 h ASP 11 Ca -0.25 0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.34 2wb1 h ASP 11 Cb 1.06 0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.86 2wb1 h ASP 11 CO -0.15 0.12 -0.13 -0.08 -1.57 0.00 0.00 179.24 177.43 2wb1 h GLU 12 N 0.43 -0.16 0.00 3.56 4.81 -1.83 0.16 114.58 121.55 2wb1 h GLU 12 Ca 0.35 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2wb1 h GLU 12 Cb 0.48 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2wb1 h GLU 12 CO -0.35 -0.10 -0.27 0.07 -0.73 0.00 0.00 179.01 177.62 2wb1 h ARG 13 N -0.16 0.00 -0.08 1.92 0.11 -1.01 -3.11 114.38 112.06 2wb1 h ARG 13 Ca 0.09 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.00 2wb1 h ARG 13 Cb 0.29 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.38 2wb1 h ARG 13 CO -0.23 0.27 -0.63 2.35 0.10 0.00 0.00 179.97 181.84 2wb1 h TRP 14 N 0.00 0.78 -0.96 4.08 2.91 0.25 -3.26 115.95 119.76 2wb1 h TRP 14 Ca -0.00 -0.37 0.18 0.00 1.13 0.00 0.00 58.89 59.83 2wb1 h TRP 14 Cb 0.51 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 28.97 2wb1 h TRP 14 CO 0.00 1.17 0.61 0.87 -1.03 0.00 0.00 178.44 180.06 2wb1 h LYS 15 N 0.16 0.64 0.32 2.65 1.57 -0.93 -2.12 116.57 118.86 2wb1 h LYS 15 Ca -0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2wb1 h LYS 15 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2wb1 h LYS 15 CO 0.13 0.43 -0.15 0.28 -0.57 0.00 0.00 179.45 179.56 2wb1 h VAL 16 N 0.66 0.71 0.00 0.50 2.07 -1.60 -2.49 116.25 116.11 2wb1 h VAL 16 Ca 0.52 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 2wb1 h VAL 16 Cb 0.92 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2wb1 h VAL 16 CO -0.27 0.06 -0.03 -0.29 0.02 0.00 0.00 177.57 177.06 2wb1 h ILE 17 N -0.58 0.42 0.00 4.57 2.10 -1.54 -0.01 117.51 122.46 2wb1 h ILE 17 Ca -0.04 -0.13 -0.08 0.00 1.08 0.00 0.00 64.86 65.68 2wb1 h ILE 17 Cb 0.43 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2wb1 h ILE 17 CO 0.07 0.03 -0.39 -0.08 -1.08 0.00 0.00 178.15 176.69 2wb1 h GLU 18 N 0.00 0.00 0.00 2.19 4.81 -1.06 -1.79 114.58 118.73 2wb1 h GLU 18 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2wb1 h GLU 18 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wb1 h GLU 18 CO 0.00 0.39 -0.46 0.00 -0.73 0.00 0.00 179.01 178.22 2wb1 h ALA 19 N 1.61 0.76 0.89 2.92 0.00 -0.57 -3.13 119.26 121.74 2wb1 h ALA 19 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wb1 h ALA 19 Cb 1.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wb1 h ALA 19 CO 0.05 0.58 -0.43 -0.92 0.00 0.00 0.00 179.25 178.53 2wb1 h TYR 20 N 0.00 -1.11 0.00 0.00 3.20 -1.01 -1.72 116.97 116.33 2wb1 h TYR 20 Ca -0.00 -0.03 -0.61 0.00 3.14 0.00 0.00 58.73 61.23 2wb1 h TYR 20 Cb 1.23 0.37 0.03 0.00 1.54 0.00 0.00 36.73 39.90 2wb1 h TYR 20 CO 0.00 -0.69 2.57 1.19 -1.64 0.00 0.00 178.16 179.59 2wb1 n PHE 21 N -5.59 2.06 0.00 -3.82 3.72 -0.72 -1.46 117.46 111.65 2wb1 n PHE 21 Ca -0.15 -2.08 0.00 0.00 -0.05 0.00 0.00 57.45 55.16 2wb1 n PHE 21 Cb 0.48 -1.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 2wb1 n PHE 21 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2wb1 n LYS 22 N 6.14 0.00 0.03 -1.08 4.81 -1.23 -4.88 118.16 121.94 2wb1 n LYS 22 Ca 0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.92 2wb1 n LYS 22 Cb 0.34 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.38 2wb1 n LYS 22 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wb1 h SER 23 N 0.00 -0.10 0.00 3.14 0.87 -0.47 -3.48 113.55 113.51 2wb1 h SER 23 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wb1 h SER 23 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2wb1 h SER 23 CO 0.00 0.09 0.00 0.29 -0.53 0.00 0.00 176.83 176.68 2wb1 n LYS 24 N -3.17 0.00 0.00 2.24 4.76 -0.53 -5.08 118.16 116.37 2wb1 n LYS 24 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2wb1 n LYS 24 Cb 0.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 2wb1 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wb1 n GLY 25 N 4.33 0.94 7.00 0.72 0.00 -1.22 -4.80 105.19 112.16 2wb1 n GLY 25 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2wb1 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wb1 n LEU 26 N 0.00 0.00 0.00 0.99 7.94 -1.26 -3.63 117.00 121.04 2wb1 n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wb1 n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wb1 n LEU 26 CO 0.00 0.00 0.14 0.52 -1.11 0.00 0.00 177.39 176.94 2wb1 n VAL 27 N 0.00 0.01 -0.81 1.96 0.31 -1.26 -4.91 118.33 113.62 2wb1 n VAL 27 Ca 0.00 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 63.85 2wb1 n VAL 27 Cb 0.00 1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 34.32 2wb1 n VAL 27 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2wb1 n ARG 28 N -0.00 2.10 -0.10 5.55 1.85 -1.24 -4.07 116.66 120.74 2wb1 n ARG 28 Ca 0.00 -1.31 -0.22 0.00 -1.00 0.00 0.00 57.85 55.33 2wb1 n ARG 28 Cb 0.12 -2.29 -0.12 0.00 -1.05 0.00 0.00 32.46 29.12 2wb1 n ARG 28 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2wb1 n GLN 29 N 3.56 0.65 0.08 2.89 1.13 -1.26 -3.74 117.38 120.69 2wb1 n GLN 29 Ca 0.45 0.23 -0.11 0.00 -1.94 0.00 0.00 57.00 55.63 2wb1 n GLN 29 Cb 0.32 -1.57 -0.13 0.00 0.11 0.00 0.00 30.24 28.97 2wb1 n GLN 29 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wb1 h HIS 30 N -0.27 0.22 -0.46 1.08 3.86 -1.87 -3.10 115.15 114.61 2wb1 h HIS 30 Ca -0.56 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 58.47 2wb1 h HIS 30 Cb 1.82 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.26 2wb1 h HIS 30 CO 0.02 1.13 0.18 -0.07 0.86 0.00 0.00 177.93 180.05 2wb1 h LEU 31 N 0.03 0.64 -0.85 2.43 3.38 -1.83 0.70 115.31 119.82 2wb1 h LEU 31 Ca -0.07 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 2wb1 h LEU 31 Cb 1.87 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2wb1 h LEU 31 CO 0.16 0.64 -0.49 0.44 0.09 0.00 0.00 178.44 179.28 2wb1 h ASP 32 N 0.61 0.22 0.38 -0.43 5.19 -1.66 0.65 116.42 121.37 2wb1 h ASP 32 Ca 0.15 -0.11 -0.32 0.00 -0.62 0.00 0.00 57.03 56.14 2wb1 h ASP 32 Cb 0.20 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.66 2wb1 h ASP 32 CO -0.01 0.68 -1.55 -1.28 -3.12 0.00 0.00 179.24 173.96 2wb1 h SER 33 N 0.16 0.52 0.71 6.45 0.87 -1.45 -2.59 113.55 118.23 2wb1 h SER 33 Ca 0.01 -0.68 -0.17 0.00 -1.23 0.00 0.00 61.79 59.71 2wb1 h SER 33 Cb 0.93 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2wb1 h SER 33 CO 0.07 1.56 -0.80 0.22 -0.53 0.00 0.00 176.83 177.35 2wb1 h TYR 34 N 0.09 0.09 0.80 2.24 3.20 -0.87 -2.11 116.97 120.40 2wb1 h TYR 34 Ca -0.26 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.53 2wb1 h TYR 34 Cb 2.06 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 40.32 2wb1 h TYR 34 CO 0.08 0.83 -0.41 -0.91 -1.64 0.00 0.00 178.16 176.12 2wb1 h ASN 35 N 0.04 -0.98 -1.06 -2.11 2.35 -0.95 -1.32 115.58 111.54 2wb1 h ASN 35 Ca -0.02 0.04 0.35 0.00 -0.55 0.00 0.00 56.30 56.12 2wb1 h ASN 35 Cb 1.41 0.26 -0.14 0.00 0.05 0.00 0.00 38.32 39.90 2wb1 h ASN 35 CO 0.11 -0.67 0.63 -0.78 -1.65 0.00 0.00 177.43 175.06 2wb1 h ASP 36 N -1.10 0.44 0.04 5.81 -0.00 -1.44 -1.57 116.42 118.60 2wb1 h ASP 36 Ca -0.11 0.18 -0.00 0.00 -0.00 0.00 0.00 57.03 57.10 2wb1 h ASP 36 Cb 0.86 0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.33 2wb1 h ASP 36 CO 0.16 -0.16 -0.02 0.15 -0.00 0.00 0.00 179.24 179.37 2wb1 h PHE 37 N 0.25 -0.05 0.00 0.28 3.57 -1.04 -2.13 116.94 117.82 2wb1 h PHE 37 Ca 0.75 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.25 2wb1 h PHE 37 Cb 1.89 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.65 2wb1 h PHE 37 CO -0.01 0.41 0.00 1.55 -2.23 0.00 0.00 178.31 178.03 2wb1 n VAL 38 N -4.89 0.76 0.00 1.41 3.14 -0.53 -3.16 118.33 115.06 2wb1 n VAL 38 Ca -0.08 0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2wb1 n VAL 38 Cb 0.24 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2wb1 n VAL 38 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wb1 n ARG 39 N -2.18 0.00 -0.14 1.45 1.74 -0.97 -4.87 116.66 111.69 2wb1 n ARG 39 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2wb1 n ARG 39 Cb 0.28 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.76 2wb1 n ARG 39 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wb1 h ASN 40 N 0.00 0.15 0.00 0.55 4.21 -1.55 -3.39 115.58 115.56 2wb1 h ASN 40 Ca 0.00 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.56 2wb1 h ASN 40 Cb 0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2wb1 h ASN 40 CO 0.00 0.12 0.00 1.17 -1.29 0.00 0.00 177.43 177.43 2wb1 n LYS 41 N -5.01 3.49 0.00 0.81 3.00 -1.16 -4.28 118.16 115.01 2wb1 n LYS 41 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2wb1 n LYS 41 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.20 2wb1 n LYS 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2wb1 n LEU 42 N 0.00 0.00 -0.34 3.14 7.94 -1.19 -2.80 117.00 123.75 2wb1 n LEU 42 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 2wb1 n LEU 42 Cb 0.00 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.38 2wb1 n LEU 42 CO 0.00 0.00 1.16 -0.61 -1.11 0.00 0.00 177.39 176.83 2wb1 h GLN 43 N 0.00 0.46 -0.74 1.96 5.75 -1.81 0.06 115.11 120.79 2wb1 h GLN 43 Ca 0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2wb1 h GLN 43 Cb 0.00 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2wb1 h GLN 43 CO 0.00 0.31 0.35 0.93 -2.65 0.00 0.00 178.83 177.77 2wb1 h GLU 44 N 0.48 1.06 -0.49 1.69 5.08 -1.70 -2.78 114.58 117.92 2wb1 h GLU 44 Ca 0.67 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.78 2wb1 h GLU 44 Cb 1.42 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2wb1 h GLU 44 CO -0.48 0.82 -0.10 0.82 -1.00 0.00 0.00 179.01 179.07 2wb1 h ILE 45 N 1.06 1.27 -0.05 3.13 2.04 -1.28 -2.78 117.51 120.91 2wb1 h ILE 45 Ca 0.26 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2wb1 h ILE 45 Cb 0.11 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2wb1 h ILE 45 CO -0.03 0.43 0.13 0.40 0.00 0.00 0.00 178.15 179.07 2wb1 h ILE 46 N 0.79 0.17 -0.65 -0.67 1.08 -1.17 -3.38 117.51 113.67 2wb1 h ILE 46 Ca 0.13 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 64.20 2wb1 h ILE 46 Cb 0.65 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 2wb1 h ILE 46 CO 0.04 0.00 1.20 -1.81 -0.69 0.00 0.00 178.15 176.89 2wb1 s ASP 47 N -5.25 5.48 0.00 1.72 -0.00 -1.05 -3.62 116.67 113.96 2wb1 s ASP 47 Ca -0.05 -1.51 0.00 0.00 -0.00 0.00 0.00 52.55 51.00 2wb1 s ASP 47 Cb 0.13 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 2wb1 s ASP 47 CO 0.43 -2.55 0.00 -1.84 -0.00 0.00 0.00 175.17 171.21 2wb1 n GLU 48 N 8.51 3.47 0.00 8.23 0.28 -1.26 -5.08 120.64 134.80 2wb1 n GLU 48 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2wb1 n GLU 48 Cb 0.47 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.04 2wb1 n GLU 48 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2wb1 n GLN 49 N -0.02 0.00 -0.64 3.44 6.02 -1.24 -4.87 117.38 120.07 2wb1 n GLN 49 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2wb1 n GLN 49 Cb 0.00 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.44 2wb1 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wb1 n GLY 50 N 0.00 -1.79 0.01 1.08 0.00 -1.24 -4.07 105.19 99.17 2wb1 n GLY 50 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.18 2wb1 n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wb1 n GLU 51 N -3.28 0.51 -2.06 1.61 -0.58 -1.26 -4.88 120.64 110.70 2wb1 n GLU 51 Ca 0.05 -0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 2wb1 n GLU 51 Cb 0.56 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 30.18 2wb1 n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2wb1 n ILE 52 N -1.89 -0.45 -2.06 -3.67 5.41 -1.26 -4.85 119.36 110.59 2wb1 n ILE 52 Ca -0.03 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 2wb1 n ILE 52 Cb 0.31 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.44 2wb1 n ILE 52 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wb1 s PRO 53 N -4.29 3.25 0.01 0.38 0.02 -1.26 -4.78 135.00 128.34 2wb1 s PRO 53 Ca 0.00 1.21 0.02 0.00 0.02 0.00 0.00 61.00 62.25 2wb1 s PRO 53 Cb 0.00 -4.20 0.09 0.00 0.02 0.00 0.00 34.50 30.41 2wb1 s PRO 53 CO 0.00 -1.96 1.06 2.41 -0.33 0.00 0.00 177.00 178.18 2wb1 n THR 54 N 7.33 1.88 -1.91 0.99 -1.04 -1.26 -4.50 114.28 115.76 2wb1 n THR 54 Ca 0.21 0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 62.29 2wb1 n THR 54 Cb 0.48 -1.46 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 2wb1 n THR 54 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wb1 s GLU 55 N -3.02 4.18 -0.61 -2.82 2.02 -1.26 -2.59 118.70 114.60 2wb1 s GLU 55 Ca 0.01 2.32 -0.21 0.00 0.02 0.00 0.00 54.97 57.11 2wb1 s GLU 55 Cb 0.01 -3.91 0.03 0.00 0.10 0.00 0.00 34.13 30.36 2wb1 s GLU 55 CO 0.03 -0.84 0.64 -0.89 0.02 0.00 0.00 175.26 174.22 2wb1 n ILE 56 N 5.27 -4.31 -0.01 -1.63 5.41 -1.26 -4.32 119.36 118.51 2wb1 n ILE 56 Ca 0.17 0.07 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2wb1 n ILE 56 Cb 0.42 -3.63 0.01 0.00 -0.71 0.00 0.00 39.64 35.72 2wb1 n ILE 56 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wb1 n PRO 57 N -1.24 -0.00 -1.67 0.38 -0.02 -1.07 -1.59 135.00 129.79 2wb1 n PRO 57 Ca -0.17 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.04 2wb1 n PRO 57 Cb 0.67 -0.07 -0.04 0.00 -0.02 0.00 0.00 33.50 34.04 2wb1 n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 58 N -1.02 4.63 2.97 -1.23 0.00 -1.26 -4.76 105.19 104.54 2wb1 n GLY 58 Ca 0.01 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 2wb1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wb1 s LEU 59 N -1.94 3.75 0.26 0.99 1.98 -0.62 -0.64 118.68 122.46 2wb1 s LEU 59 Ca 0.58 -1.76 0.03 0.00 -2.89 0.00 0.00 54.13 50.09 2wb1 s LEU 59 Cb 0.29 -1.42 -0.05 0.00 0.66 0.00 0.00 46.19 45.66 2wb1 s LEU 59 CO -0.15 -0.32 0.03 -0.54 -1.89 0.00 0.00 176.35 173.48 2wb1 s LYS 60 N 1.13 1.42 -0.11 1.98 1.02 -0.76 -4.02 119.74 120.40 2wb1 s LYS 60 Ca 0.04 -1.74 -0.00 0.00 0.02 0.00 0.00 55.97 54.28 2wb1 s LYS 60 Cb -0.19 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 2wb1 s LYS 60 CO -0.10 -0.15 -0.07 0.08 -0.92 0.00 0.00 175.35 174.19 2wb1 s VAL 61 N -3.46 0.98 0.59 3.17 1.01 -1.26 -0.34 120.40 121.09 2wb1 s VAL 61 Ca 0.32 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 2wb1 s VAL 61 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2wb1 s VAL 61 CO 0.11 0.36 0.92 -0.13 0.00 0.00 0.00 175.10 176.35 2wb1 s ARG 62 N 1.66 2.99 -0.17 2.72 0.52 0.29 -3.71 118.95 123.24 2wb1 s ARG 62 Ca 0.04 0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.33 2wb1 s ARG 62 Cb -0.13 -2.25 0.04 0.00 0.52 0.00 0.00 34.95 33.14 2wb1 s ARG 62 CO -0.07 -0.69 -0.07 -0.51 0.02 0.00 0.00 175.30 173.98 2wb1 s LEU 63 N -5.01 1.80 0.00 2.53 1.43 -1.26 -1.35 118.68 116.82 2wb1 s LEU 63 Ca 0.54 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2wb1 s LEU 63 Cb -0.11 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2wb1 s LEU 63 CO 0.46 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2wb1 n GLY 64 N 4.82 0.69 3.84 -3.19 0.00 0.97 -4.81 105.19 107.51 2wb1 n GLY 64 Ca -0.13 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2wb1 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 65 N 0.00 3.25 0.31 1.61 1.02 -1.26 -4.83 119.74 119.84 2wb1 s LYS 65 Ca 0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 2wb1 s LYS 65 Cb 0.00 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2wb1 s LYS 65 CO 0.00 0.67 0.59 0.42 -0.92 0.00 0.00 175.35 176.11 2wb1 s ILE 66 N -1.24 4.99 0.01 2.17 1.09 -1.26 -3.40 121.20 123.56 2wb1 s ILE 66 Ca 0.24 0.11 0.02 0.00 -1.10 0.00 0.00 60.65 59.92 2wb1 s ILE 66 Cb -0.12 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 2wb1 s ILE 66 CO 0.15 -0.37 -0.05 0.00 -0.10 0.00 0.00 174.94 174.57 2wb1 s ARG 67 N -3.65 0.40 -0.28 2.79 1.70 0.75 -4.99 118.95 115.67 2wb1 s ARG 67 Ca 0.45 -0.32 -0.10 0.00 -0.47 0.00 0.00 55.73 55.29 2wb1 s ARG 67 Cb -0.11 -0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 33.93 2wb1 s ARG 67 CO 0.31 0.08 0.14 0.42 -1.08 0.00 0.00 175.30 175.17 2wb1 s ILE 68 N -0.47 4.81 0.00 4.99 1.09 -1.26 -1.56 121.20 128.80 2wb1 s ILE 68 Ca -0.02 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 2wb1 s ILE 68 Cb -0.04 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 2wb1 s ILE 68 CO -0.00 0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 2wb1 n GLY 69 N 5.00 -2.57 3.90 6.18 0.00 -0.53 -5.00 105.19 112.16 2wb1 n GLY 69 Ca -0.15 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 2wb1 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 70 N -1.70 3.38 -0.31 1.61 1.02 -1.26 -4.75 119.74 117.73 2wb1 s LYS 70 Ca 0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 2wb1 s LYS 70 Cb 0.00 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 2wb1 s LYS 70 CO 0.00 0.63 1.32 -2.30 -0.92 0.00 0.00 175.35 174.08 2wb1 n PRO 71 N 0.60 0.00 -3.83 -1.68 -0.02 -1.26 -4.38 135.00 124.43 2wb1 n PRO 71 Ca -0.08 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.11 2wb1 n PRO 71 Cb 0.52 -0.96 -0.13 0.00 -0.02 0.00 0.00 33.50 32.91 2wb1 n PRO 71 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wb1 s ARG 72 N 5.43 1.87 -0.29 -0.52 0.52 -0.86 -1.58 118.95 123.51 2wb1 s ARG 72 Ca 0.41 -2.65 -0.29 0.00 -0.52 0.00 0.00 55.73 52.68 2wb1 s ARG 72 Cb -0.27 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2wb1 s ARG 72 CO 0.18 -1.20 1.09 0.14 0.02 0.00 0.00 175.30 175.53 2wb1 s VAL 73 N -0.46 4.52 0.59 3.52 -7.23 -1.18 -4.69 120.40 115.46 2wb1 s VAL 73 Ca 0.21 1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 61.97 2wb1 s VAL 73 Cb -0.16 -4.36 -0.07 0.00 0.56 0.00 0.00 36.38 32.34 2wb1 s VAL 73 CO -0.07 -0.40 0.68 0.54 -0.31 0.00 0.00 175.10 175.54 2wb1 n ARG 74 N 6.76 0.63 -3.74 4.82 1.74 -1.26 -3.51 116.66 122.10 2wb1 n ARG 74 Ca 0.12 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 57.15 2wb1 n ARG 74 Cb 0.47 -1.87 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 2wb1 n ARG 74 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wb1 s GLU 75 N -2.36 1.29 0.13 5.56 2.12 -0.11 -4.87 118.70 120.46 2wb1 s GLU 75 Ca 0.72 -1.96 -0.31 0.00 0.36 0.00 0.00 54.97 53.77 2wb1 s GLU 75 Cb -0.43 -2.39 -0.09 0.00 0.26 0.00 0.00 34.13 31.48 2wb1 s GLU 75 CO 0.51 -1.14 1.59 -1.12 -0.54 0.00 0.00 175.26 174.57 2wb1 s SER 76 N 0.43 6.60 0.05 -1.70 0.01 -1.24 -0.96 113.70 116.89 2wb1 s SER 76 Ca 0.17 2.57 -0.19 0.00 1.31 0.00 0.00 55.95 59.81 2wb1 s SER 76 Cb -0.24 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.34 2wb1 s SER 76 CO -0.02 -0.84 0.55 -0.62 0.41 0.00 0.00 173.24 172.72 2wb1 s ASP 77 N 1.53 7.01 -1.75 2.44 2.15 -1.26 -4.55 116.67 122.25 2wb1 s ASP 77 Ca 0.71 1.20 -0.14 0.00 0.43 0.00 0.00 52.55 54.75 2wb1 s ASP 77 Cb -0.42 -2.34 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 2wb1 s ASP 77 CO 0.31 0.26 0.35 0.54 -0.17 0.00 0.00 175.17 176.47 2wb1 n ARG 78 N 1.88 -0.82 -4.53 4.34 1.74 -1.23 -4.94 116.66 113.10 2wb1 n ARG 78 Ca -0.10 0.12 -0.25 0.00 -0.77 0.00 0.00 57.85 56.85 2wb1 n ARG 78 Cb 0.51 -4.25 -0.09 0.00 -1.02 0.00 0.00 32.46 27.60 2wb1 n ARG 78 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wb1 s GLY 79 N -3.72 2.41 -0.28 -0.13 0.00 -0.14 -4.99 107.32 100.47 2wb1 s GLY 79 Ca 0.49 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 2wb1 s GLY 79 CO 1.02 -1.90 0.80 -1.83 0.00 0.00 0.00 173.10 171.19 2wb1 s GLU 80 N -3.82 0.60 0.02 2.90 4.04 -1.26 -0.94 118.70 120.24 2wb1 s GLU 80 Ca 0.28 1.00 0.02 0.00 0.04 0.00 0.00 54.97 56.31 2wb1 s GLU 80 Cb 0.06 0.14 -0.01 0.00 0.02 0.00 0.00 34.13 34.33 2wb1 s GLU 80 CO 0.14 -0.12 -0.07 1.03 -1.84 0.00 0.00 175.26 174.40 2wb1 s ARG 81 N 1.42 0.53 0.15 -4.83 1.81 -1.23 -4.93 118.95 111.86 2wb1 s ARG 81 Ca -0.09 -0.48 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 2wb1 s ARG 81 Cb -0.05 -0.42 -0.07 0.00 -0.45 0.00 0.00 34.95 33.96 2wb1 s ARG 81 CO -0.17 0.10 1.05 -1.21 -0.68 0.00 0.00 175.30 174.39 2wb1 s GLU 82 N -0.81 4.64 -0.02 3.54 2.02 -1.26 -3.12 118.70 123.69 2wb1 s GLU 82 Ca -0.03 1.61 0.05 0.00 0.02 0.00 0.00 54.97 56.63 2wb1 s GLU 82 Cb -0.06 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 2wb1 s GLU 82 CO 0.00 0.13 -0.18 0.96 0.02 0.00 0.00 175.26 176.20 2wb1 s ILE 83 N -0.15 1.40 0.34 -1.63 -4.36 -0.61 -5.00 121.20 111.18 2wb1 s ILE 83 Ca 0.48 -0.75 -0.27 0.00 -0.26 0.00 0.00 60.65 59.86 2wb1 s ILE 83 Cb -0.27 -1.17 -0.09 0.00 1.25 0.00 0.00 42.46 42.18 2wb1 s ILE 83 CO 0.33 0.40 1.08 -0.55 0.24 0.00 0.00 174.94 176.44 2wb1 s SER 84 N -0.32 6.98 0.47 4.36 0.15 -1.26 -4.91 113.70 119.16 2wb1 s SER 84 Ca 0.05 2.18 0.27 0.00 0.70 0.00 0.00 55.95 59.14 2wb1 s SER 84 Cb -0.08 -2.61 1.32 0.00 -1.71 0.00 0.00 66.02 62.94 2wb1 s SER 84 CO -0.00 -0.34 1.80 -0.65 1.20 0.00 0.00 173.24 175.24 2wb1 h PRO 85 N 3.13 0.19 -0.33 5.44 0.11 -2.00 0.68 132.00 139.23 2wb1 h PRO 85 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2wb1 h PRO 85 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2wb1 h PRO 85 CO 0.64 0.13 -0.04 0.52 -0.21 0.00 0.00 178.00 179.05 2wb1 h MET 86 N 0.20 0.52 0.00 1.05 2.86 -1.92 -1.82 114.93 115.82 2wb1 h MET 86 Ca 0.56 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 2wb1 h MET 86 Cb 1.81 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.40 2wb1 h MET 86 CO -0.15 0.57 -0.08 0.93 1.06 0.00 0.00 176.91 179.24 2wb1 h GLU 87 N 0.49 0.00 -0.06 1.72 5.08 0.01 -2.56 114.58 119.26 2wb1 h GLU 87 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2wb1 h GLU 87 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wb1 h GLU 87 CO 0.02 0.08 -0.31 0.00 -1.00 0.00 0.00 179.01 177.79 2wb1 h ALA 88 N 1.92 0.11 0.00 3.43 0.00 -1.01 -2.84 119.26 120.87 2wb1 h ALA 88 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2wb1 h ALA 88 Cb 0.83 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wb1 h ALA 88 CO 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 2wb1 h ARG 89 N -0.21 0.00 0.00 0.00 3.08 -1.23 -1.46 114.38 114.56 2wb1 h ARG 89 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2wb1 h ARG 89 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2wb1 h ARG 89 CO 0.06 0.13 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.53 2wb1 h LEU 90 N 0.00 0.00 0.00 3.04 3.38 -1.52 -3.39 115.31 116.82 2wb1 h LEU 90 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wb1 h LEU 90 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wb1 h LEU 90 CO 0.02 0.82 0.00 0.54 0.09 0.00 0.00 178.44 179.91 2wb1 n ARG 91 N -4.62 0.01 -2.89 1.13 5.12 -1.07 -4.81 116.66 109.53 2wb1 n ARG 91 Ca -0.09 0.40 -0.11 0.00 -1.93 0.00 0.00 57.85 56.12 2wb1 n ARG 91 Cb 0.28 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.13 2wb1 n ARG 91 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wb1 n ASN 92 N -1.44 -2.71 -4.46 0.55 4.13 -1.20 -4.32 115.26 105.82 2wb1 n ASN 92 Ca 0.01 -0.34 -0.32 0.00 1.68 0.00 0.00 54.58 55.61 2wb1 n ASN 92 Cb 0.03 -3.09 -0.13 0.00 -1.54 0.00 0.00 39.78 35.04 2wb1 n ASN 92 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wb1 s LEU 93 N -4.48 2.64 -0.19 3.41 1.02 -0.55 -4.37 118.68 116.16 2wb1 s LEU 93 Ca 0.09 -0.30 -0.24 0.00 0.02 0.00 0.00 54.13 53.70 2wb1 s LEU 93 Cb -0.04 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 2wb1 s LEU 93 CO 0.41 0.31 0.77 -0.89 0.02 0.00 0.00 176.35 176.97 2wb1 s THR 94 N -0.80 4.91 -0.67 5.49 2.01 -1.26 -3.13 115.64 122.20 2wb1 s THR 94 Ca 0.13 1.48 -0.27 0.00 0.31 0.00 0.00 61.69 63.34 2wb1 s THR 94 Cb -0.11 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 2wb1 s THR 94 CO 0.02 0.03 1.66 -0.47 -0.69 0.00 0.00 174.62 175.18 2wb1 s TYR 95 N 2.22 1.88 0.09 4.92 5.04 -0.58 -4.89 117.35 126.03 2wb1 s TYR 95 Ca 0.35 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 55.35 2wb1 s TYR 95 Cb -0.16 -4.28 0.01 0.00 0.35 0.00 0.00 41.96 37.88 2wb1 s TYR 95 CO 0.11 -2.22 0.26 0.00 -1.34 0.00 0.00 175.55 172.36 2wb1 s ALA 96 N 7.94 -0.48 0.03 3.97 0.00 -1.26 -1.55 121.76 130.41 2wb1 s ALA 96 Ca 0.56 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.20 2wb1 s ALA 96 Cb -0.11 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2wb1 s ALA 96 CO 0.18 -0.53 -0.15 0.00 0.00 0.00 0.00 175.76 175.26 2wb1 s ALA 97 N -3.64 1.24 0.75 0.00 0.00 -1.08 -2.03 121.76 117.00 2wb1 s ALA 97 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2wb1 s ALA 97 Cb 0.03 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.99 2wb1 s ALA 97 CO -0.10 0.25 1.16 -1.25 0.00 0.00 0.00 175.76 175.82 2wb1 s PRO 98 N -1.05 2.10 -0.34 0.00 0.04 -1.26 -1.74 135.00 132.74 2wb1 s PRO 98 Ca 0.03 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 2wb1 s PRO 98 Cb -0.08 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2wb1 s PRO 98 CO 0.01 -1.83 0.13 -0.51 0.04 0.00 0.00 177.00 174.84 2wb1 s LEU 99 N -5.44 4.38 -0.35 -3.56 1.43 0.63 -1.45 118.68 114.32 2wb1 s LEU 99 Ca 0.70 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2wb1 s LEU 99 Cb -0.25 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2wb1 s LEU 99 CO 0.48 -0.33 0.18 0.26 0.23 0.00 0.00 176.35 177.16 2wb1 s TRP 100 N 1.44 3.23 -0.15 0.29 0.52 -0.60 -0.81 118.94 122.85 2wb1 s TRP 100 Ca -0.01 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.19 2wb1 s TRP 100 Cb -0.19 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.74 2wb1 s TRP 100 CO 0.04 -0.61 -0.20 -1.17 0.02 0.00 0.00 176.95 175.02 2wb1 s LEU 101 N 1.54 2.19 -0.32 2.99 1.98 0.00 -0.18 118.68 126.89 2wb1 s LEU 101 Ca 0.02 -0.58 -0.27 0.00 -2.89 0.00 0.00 54.13 50.41 2wb1 s LEU 101 Cb -0.19 -1.48 0.01 0.00 0.66 0.00 0.00 46.19 45.20 2wb1 s LEU 101 CO 0.06 0.07 0.98 -0.89 -1.89 0.00 0.00 176.35 174.68 2wb1 s THR 102 N 0.89 4.60 0.17 3.68 2.01 -1.22 -0.92 115.64 124.85 2wb1 s THR 102 Ca -0.05 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2wb1 s THR 102 Cb -0.15 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2wb1 s THR 102 CO -0.03 -0.42 0.35 -0.04 -0.69 0.00 0.00 174.62 173.79 2wb1 s MET 103 N 3.44 3.50 -0.35 4.92 -1.94 -0.13 -0.02 119.30 128.71 2wb1 s MET 103 Ca 0.41 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.99 2wb1 s MET 103 Cb -0.13 -2.89 0.11 0.00 2.01 0.00 0.00 34.83 33.93 2wb1 s MET 103 CO 0.15 0.45 0.12 0.42 -0.01 0.00 0.00 175.02 176.16 2wb1 s ILE 104 N -1.79 1.28 0.17 2.53 -1.09 -0.46 -3.93 121.20 117.91 2wb1 s ILE 104 Ca 0.37 -1.88 -0.31 0.00 -2.23 0.00 0.00 60.65 56.61 2wb1 s ILE 104 Cb -0.11 -1.95 -0.09 0.00 -1.58 0.00 0.00 42.46 38.73 2wb1 s ILE 104 CO 0.29 -0.72 1.37 -2.16 -1.23 0.00 0.00 174.94 172.48 2wb1 s PRO 105 N 1.16 4.34 -0.10 2.79 0.04 -1.26 -0.55 135.00 141.42 2wb1 s PRO 105 Ca 0.12 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2wb1 s PRO 105 Cb -0.19 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2wb1 s PRO 105 CO -0.16 -0.35 -0.21 0.08 0.04 0.00 0.00 177.00 176.40 2wb1 s VAL 106 N 0.49 1.85 -0.50 -0.36 1.01 0.54 -4.61 120.40 118.82 2wb1 s VAL 106 Ca 0.60 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2wb1 s VAL 106 Cb -0.38 -1.62 0.17 0.00 0.00 0.00 0.00 36.38 34.56 2wb1 s VAL 106 CO 0.36 0.51 0.38 -1.61 0.00 0.00 0.00 175.10 174.74 2wb1 s GLU 107 N 0.50 1.38 0.00 2.72 2.02 -1.26 -1.82 118.70 122.24 2wb1 s GLU 107 Ca -0.16 -2.47 0.00 0.00 0.02 0.00 0.00 54.97 52.36 2wb1 s GLU 107 Cb -0.17 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2wb1 s GLU 107 CO 0.06 -1.35 0.00 0.09 0.02 0.00 0.00 175.26 174.08 2wb1 n ASN 108 N 2.62 0.00 -3.97 -0.19 3.02 0.19 -4.89 115.26 112.04 2wb1 n ASN 108 Ca 0.26 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.72 2wb1 n ASN 108 Cb 0.43 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 2wb1 n ASN 108 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wb1 s ASN 109 N 0.00 -0.06 -0.13 6.41 4.22 -1.26 -5.09 114.94 119.04 2wb1 s ASN 109 Ca 0.00 -0.90 -0.06 0.00 -2.14 0.00 0.00 52.86 49.76 2wb1 s ASN 109 Cb 0.00 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.02 2wb1 s ASN 109 CO 0.00 -1.04 0.08 0.27 -2.04 0.00 0.00 177.10 174.38 2wb1 s ILE 110 N -4.00 5.00 0.00 0.54 -4.36 -1.26 -4.64 121.20 112.48 2wb1 s ILE 110 Ca 0.21 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 2wb1 s ILE 110 Cb 0.01 -3.18 0.00 0.00 1.25 0.00 0.00 42.46 40.54 2wb1 s ILE 110 CO 0.05 0.57 0.00 1.21 0.24 0.00 0.00 174.94 177.01 2wb1 n GLU 111 N 2.47 0.00 0.00 0.37 0.00 -1.26 -5.10 120.64 117.11 2wb1 n GLU 111 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2wb1 n GLU 111 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 2wb1 n GLU 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wb1 n ALA 112 N 1.49 0.00 -0.86 4.31 0.00 -1.26 -4.64 120.51 119.55 2wb1 n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 112 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wb1 n GLU 113 N 11.83 -2.35 -2.82 0.00 1.02 -1.26 -4.92 120.64 122.13 2wb1 n GLU 113 Ca 0.00 1.80 -0.43 0.00 -0.02 0.00 0.00 57.16 58.51 2wb1 n GLU 113 Cb 0.00 -2.15 -0.04 0.00 -0.02 0.00 0.00 31.44 29.23 2wb1 n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 114 N -4.75 3.14 -1.30 3.49 0.04 -1.26 -5.10 135.00 129.25 2wb1 s PRO 114 Ca 0.00 -0.70 -0.17 0.00 0.04 0.00 0.00 61.00 60.17 2wb1 s PRO 114 Cb 0.00 -4.20 0.08 0.00 0.04 0.00 0.00 34.50 30.42 2wb1 s PRO 114 CO 0.00 -1.82 1.75 -1.91 0.04 0.00 0.00 177.00 175.06 2wb1 n GLU 115 N 7.87 3.20 -2.55 4.56 4.07 -1.25 -4.91 120.64 131.63 2wb1 n GLU 115 Ca -0.02 -3.30 -0.41 0.00 -0.06 0.00 0.00 57.16 53.36 2wb1 n GLU 115 Cb 0.46 -3.41 -0.02 0.00 -0.06 0.00 0.00 31.44 28.41 2wb1 n GLU 115 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2wb1 s GLU 116 N 3.69 3.64 -0.04 5.31 2.02 -1.26 -0.96 118.70 131.10 2wb1 s GLU 116 Ca 0.52 -1.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 2wb1 s GLU 116 Cb 0.04 -5.39 -0.05 0.00 0.10 0.00 0.00 34.13 28.83 2wb1 s GLU 116 CO 0.05 -2.25 0.55 0.08 0.02 0.00 0.00 175.26 173.71 2wb1 s VAL 117 N 4.96 5.01 0.01 2.63 1.01 -0.10 -4.82 120.40 129.10 2wb1 s VAL 117 Ca 0.48 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2wb1 s VAL 117 Cb 0.01 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2wb1 s VAL 117 CO -0.06 0.40 1.30 -0.47 0.00 0.00 0.00 175.10 176.27 2wb1 s TYR 118 N 0.03 3.10 -0.23 5.22 6.14 -1.26 -0.82 117.35 129.54 2wb1 s TYR 118 Ca 0.29 1.04 -0.02 0.00 0.64 0.00 0.00 57.07 59.02 2wb1 s TYR 118 Cb -0.17 -3.55 -0.13 0.00 0.42 0.00 0.00 41.96 38.53 2wb1 s TYR 118 CO 0.15 -1.88 -0.23 -0.89 0.64 0.00 0.00 175.55 173.34 2wb1 n ILE 119 N 4.45 1.28 -2.39 3.14 2.08 0.01 -4.84 119.36 123.09 2wb1 n ILE 119 Ca 0.12 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.99 2wb1 n ILE 119 Cb 0.45 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 2wb1 n ILE 119 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wb1 n GLY 120 N 2.16 -0.55 3.41 7.39 0.00 -1.26 -4.33 105.19 112.01 2wb1 n GLY 120 Ca -0.41 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2wb1 n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 121 N -4.00 3.70 -0.26 1.61 -0.00 -1.26 -0.27 116.67 116.19 2wb1 s ASP 121 Ca 0.00 -0.30 -0.09 0.00 -0.00 0.00 0.00 52.55 52.16 2wb1 s ASP 121 Cb 0.00 -0.78 -0.04 0.00 -0.00 0.00 0.00 42.92 42.10 2wb1 s ASP 121 CO 0.00 0.32 0.12 -0.22 -0.00 0.00 0.00 175.17 175.39 2wb1 s LEU 122 N -0.57 3.72 0.35 1.23 2.96 -0.71 -4.64 118.68 121.02 2wb1 s LEU 122 Ca 0.08 -0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.62 2wb1 s LEU 122 Cb -0.11 -2.01 -0.12 0.00 0.50 0.00 0.00 46.19 44.44 2wb1 s LEU 122 CO 0.01 -0.03 1.14 -2.65 -1.32 0.00 0.00 176.35 173.50 2wb1 n PRO 123 N 4.88 1.70 -3.82 0.98 -0.02 -1.26 -2.65 135.00 134.82 2wb1 n PRO 123 Ca -0.15 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2wb1 n PRO 123 Cb 0.52 -2.12 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2wb1 n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wb1 s ILE 124 N -1.13 3.86 0.20 4.25 -1.09 -0.60 -4.91 121.20 121.78 2wb1 s ILE 124 Ca 0.58 -0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.34 2wb1 s ILE 124 Cb -0.60 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.38 2wb1 s ILE 124 CO 0.60 0.35 1.26 -0.32 -1.23 0.00 0.00 174.94 175.59 2wb1 s MET 125 N 1.54 4.44 0.22 2.79 -2.45 -1.26 -4.54 119.30 120.04 2wb1 s MET 125 Ca 0.06 1.98 -0.30 0.00 -1.25 0.00 0.00 55.69 56.17 2wb1 s MET 125 Cb -0.15 -3.21 -0.09 0.00 1.25 0.00 0.00 34.83 32.63 2wb1 s MET 125 CO 0.00 -0.17 1.41 -0.51 1.05 0.00 0.00 175.02 176.81 2wb1 s LEU 126 N -0.28 4.39 -0.28 4.11 1.02 -0.98 -2.71 118.68 123.96 2wb1 s LEU 126 Ca 0.54 2.56 0.00 0.00 0.02 0.00 0.00 54.13 57.25 2wb1 s LEU 126 Cb -0.35 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.25 2wb1 s LEU 126 CO 0.38 -0.66 0.00 0.29 0.02 0.00 0.00 176.35 176.39 2wb1 n LYS 127 N 2.68 -0.97 -1.73 1.70 5.02 -1.26 -2.71 118.16 120.89 2wb1 n LYS 127 Ca 0.07 0.41 -0.31 0.00 -2.02 0.00 0.00 58.31 56.46 2wb1 n LYS 127 Cb 0.41 -4.23 0.03 0.00 -0.02 0.00 0.00 35.03 31.22 2wb1 n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wb1 s SER 128 N -2.21 5.83 0.13 4.39 1.04 -1.10 -4.64 113.70 117.13 2wb1 s SER 128 Ca 0.00 1.50 -0.25 0.00 0.48 0.00 0.00 55.95 57.69 2wb1 s SER 128 Cb 0.00 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 2wb1 s SER 128 CO 0.00 -1.14 1.38 0.00 0.98 0.00 0.00 173.24 174.46 2wb1 n ALA 129 N -2.93 -0.51 0.28 5.32 0.00 -1.26 -0.81 120.51 120.60 2wb1 n ALA 129 Ca 0.07 0.68 0.14 0.00 0.00 0.00 0.00 53.44 54.33 2wb1 n ALA 129 Cb 0.54 -0.04 0.86 0.00 0.00 0.00 0.00 19.45 20.81 2wb1 n ALA 129 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2wb1 h ILE 130 N 0.00 0.61 -3.06 0.00 6.09 -1.93 -3.42 117.51 115.80 2wb1 h ILE 130 Ca 0.13 0.00 -0.54 0.00 -1.37 0.00 0.00 64.86 63.08 2wb1 h ILE 130 Cb 0.33 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 2wb1 h ILE 130 CO -0.75 0.00 0.69 -0.62 -3.07 0.00 0.00 178.15 174.40 2wb1 s ASP 131 N -6.29 6.97 0.52 2.19 3.68 0.01 -4.92 116.67 118.83 2wb1 s ASP 131 Ca -0.05 2.04 0.23 0.00 2.13 0.00 0.00 52.55 56.91 2wb1 s ASP 131 Cb 0.15 -2.57 1.36 0.00 -1.45 0.00 0.00 42.92 40.41 2wb1 s ASP 131 CO 0.57 -0.59 2.01 -0.65 0.13 0.00 0.00 175.17 176.64 2wb1 h PRO 132 N 7.22 0.03 -0.59 4.34 0.11 -1.84 -2.19 132.00 139.09 2wb1 h PRO 132 Ca -0.39 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.80 2wb1 h PRO 132 Cb 1.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2wb1 h PRO 132 CO 0.86 0.02 0.39 0.82 -0.21 0.00 0.00 178.00 179.88 2wb1 h ILE 133 N 0.03 0.93 -1.01 4.15 1.08 -1.91 -1.09 117.51 119.70 2wb1 h ILE 133 Ca 0.23 -0.16 0.20 0.00 -0.39 0.00 0.00 64.86 64.74 2wb1 h ILE 133 Cb 0.88 0.43 -0.11 0.00 -3.07 0.00 0.00 36.82 34.95 2wb1 h ILE 133 CO -0.01 0.09 0.61 -1.28 -0.69 0.00 0.00 178.15 176.87 2wb1 h SER 134 N 0.47 0.77 -0.19 1.72 0.87 -1.62 -0.34 113.55 115.22 2wb1 h SER 134 Ca 0.27 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 2wb1 h SER 134 Cb 0.43 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2wb1 h SER 134 CO -0.08 0.25 -0.29 1.56 -0.53 0.00 0.00 176.83 177.75 2wb1 h GLN 135 N 0.74 0.68 -6.63 2.24 1.08 -1.39 -3.47 115.11 108.37 2wb1 h GLN 135 Ca 0.59 -0.29 -0.58 0.00 -1.45 0.00 0.00 58.65 56.91 2wb1 h GLN 135 Cb 0.95 -0.02 0.11 0.00 -0.05 0.00 0.00 27.48 28.46 2wb1 h GLN 135 CO -0.40 0.89 0.39 0.66 -0.95 0.00 0.00 178.83 179.42 2wb1 n TYR 136 N -4.09 1.91 -1.29 2.96 4.02 -0.14 -4.98 117.16 115.54 2wb1 n TYR 136 Ca -0.01 0.59 -0.31 0.00 -0.01 0.00 0.00 57.90 58.17 2wb1 n TYR 136 Cb 0.46 -2.36 0.10 0.00 -0.02 0.00 0.00 39.34 37.52 2wb1 n TYR 136 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wb1 s THR 137 N -0.93 3.18 0.35 -0.72 -1.32 -1.26 -4.86 115.64 110.07 2wb1 s THR 137 Ca 0.58 0.38 0.07 0.00 -1.21 0.00 0.00 61.69 61.52 2wb1 s THR 137 Cb -0.63 -2.91 0.31 0.00 -1.51 0.00 0.00 72.50 67.76 2wb1 s THR 137 CO 0.60 -0.50 1.88 0.25 -2.21 0.00 0.00 174.62 174.64 2wb1 h LEU 138 N -1.21 0.69 0.02 9.08 6.46 -1.99 -2.04 115.31 126.32 2wb1 h LEU 138 Ca -0.45 0.03 -0.23 0.00 -0.12 0.00 0.00 57.88 57.11 2wb1 h LEU 138 Cb 1.25 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 2wb1 h LEU 138 CO 0.53 0.37 -1.10 0.44 -0.62 0.00 0.00 178.44 178.07 2wb1 h ASP 139 N 0.75 0.07 0.18 1.25 5.19 -2.01 -3.26 116.42 118.59 2wb1 h ASP 139 Ca 0.42 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2wb1 h ASP 139 Cb 0.59 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2wb1 h ASP 139 CO -0.19 1.06 -0.14 0.11 -3.12 0.00 0.00 179.24 176.96 2wb1 h LYS 140 N 0.01 -0.32 -1.05 3.56 1.57 -1.77 -2.14 116.57 116.44 2wb1 h LYS 140 Ca -0.05 0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.05 2wb1 h LYS 140 Cb 1.82 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.16 2wb1 h LYS 140 CO 0.14 -0.21 0.87 -0.07 -0.57 0.00 0.00 179.45 179.61 2wb1 h LEU 141 N -0.33 0.00 0.03 2.94 4.07 -1.43 0.15 115.31 120.74 2wb1 h LEU 141 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wb1 h LEU 141 Cb 0.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2wb1 h LEU 141 CO -0.00 0.00 -0.02 0.40 -1.08 0.00 0.00 178.44 177.74 2wb1 h ILE 142 N 0.00 1.39 -0.89 1.22 1.08 -1.44 -2.62 117.51 116.24 2wb1 h ILE 142 Ca 0.50 -1.68 0.24 0.00 -0.39 0.00 0.00 64.86 63.53 2wb1 h ILE 142 Cb 2.24 2.46 -0.15 0.00 -3.07 0.00 0.00 36.82 38.29 2wb1 h ILE 142 CO -0.01 0.41 0.13 -0.33 -0.69 0.00 0.00 178.15 177.66 2wb1 h GLU 143 N -0.83 0.11 0.38 2.37 5.08 -0.36 -2.83 114.58 118.51 2wb1 h GLU 143 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2wb1 h GLU 143 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2wb1 h GLU 143 CO 0.01 0.07 -0.18 0.82 -1.00 0.00 0.00 179.01 178.73 2wb1 h ILE 144 N 0.12 0.62 0.00 3.13 1.08 -1.38 -3.48 117.51 117.60 2wb1 h ILE 144 Ca 0.55 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 2wb1 h ILE 144 Cb 1.11 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2wb1 h ILE 144 CO -0.75 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 177.37 2wb1 n GLY 145 N -0.91 -0.27 3.13 5.37 0.00 -1.07 -4.82 105.19 106.62 2wb1 n GLY 145 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2wb1 n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wb1 s GLU 146 N 0.00 0.73 0.10 1.61 -1.05 -1.00 -4.85 118.70 114.23 2wb1 s GLU 146 Ca 0.00 -1.26 -0.27 0.00 -0.15 0.00 0.00 54.97 53.29 2wb1 s GLU 146 Cb 0.00 -0.03 -0.06 0.00 -0.44 0.00 0.00 34.13 33.60 2wb1 s GLU 146 CO 0.00 -0.06 0.84 0.16 0.95 0.00 0.00 175.26 177.16 2wb1 s ASP 147 N -2.94 7.36 0.00 0.83 3.84 -1.26 -4.13 116.67 120.38 2wb1 s ASP 147 Ca 0.09 1.63 0.00 0.00 -0.00 0.00 0.00 52.55 54.27 2wb1 s ASP 147 Cb 0.06 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 39.08 2wb1 s ASP 147 CO -0.07 0.03 0.71 -0.81 -0.00 0.00 0.00 175.17 175.03 2wb1 n PRO 148 N 2.51 0.86 0.00 2.11 -0.04 -1.26 -2.44 135.00 136.73 2wb1 n PRO 148 Ca -0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2wb1 n PRO 148 Cb 0.49 -1.15 0.03 0.00 -0.04 0.00 0.00 33.50 32.83 2wb1 n PRO 148 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wb1 n LYS 149 N -0.30 1.58 -2.19 0.54 5.02 -1.26 -5.00 118.16 116.56 2wb1 n LYS 149 Ca 0.00 -1.15 -0.41 0.00 -2.02 0.00 0.00 58.31 54.73 2wb1 n LYS 149 Cb 0.08 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2wb1 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wb1 s ASP 150 N -1.93 6.86 0.14 4.39 -1.08 -1.02 -4.97 116.67 119.07 2wb1 s ASP 150 Ca 0.18 2.42 0.07 0.00 -0.52 0.00 0.00 52.55 54.70 2wb1 s ASP 150 Cb 0.15 -2.61 -0.12 0.00 -1.46 0.00 0.00 42.92 38.88 2wb1 s ASP 150 CO 0.39 -0.56 1.33 1.55 0.52 0.00 0.00 175.17 178.39 2wb1 h PRO 151 N 5.53 0.01 0.00 4.34 0.13 -1.94 -3.50 132.00 136.56 2wb1 h PRO 151 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wb1 h PRO 151 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wb1 h PRO 151 CO 0.78 0.94 0.00 0.41 -0.23 0.00 0.00 178.00 179.91 2wb1 n GLY 152 N 1.18 -0.40 1.21 1.56 0.00 -1.26 -4.89 105.19 102.58 2wb1 n GLY 152 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2wb1 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 153 N 0.00 0.67 3.08 -0.02 0.00 -1.10 -4.97 105.19 102.85 2wb1 n GLY 153 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2wb1 n GLY 153 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wb1 s TYR 154 N -2.00 0.17 0.08 1.61 -0.85 -1.26 -4.69 117.35 110.40 2wb1 s TYR 154 Ca 0.00 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 2wb1 s TYR 154 Cb 0.00 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 2wb1 s TYR 154 CO 0.00 -0.29 0.15 -0.06 -1.52 0.00 0.00 175.55 173.83 2wb1 s PHE 155 N -1.91 3.36 -0.37 -3.49 0.08 0.38 -2.33 117.98 113.69 2wb1 s PHE 155 Ca -0.11 0.16 -0.14 0.00 0.12 0.00 0.00 56.93 56.96 2wb1 s PHE 155 Cb -0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2wb1 s PHE 155 CO -0.02 0.55 0.26 0.42 -0.10 0.00 0.00 175.22 176.34 2wb1 s ILE 156 N -1.48 5.19 0.02 0.64 1.01 -1.26 0.34 121.20 125.67 2wb1 s ILE 156 Ca 0.32 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2wb1 s ILE 156 Cb -0.12 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2wb1 s ILE 156 CO 0.25 -0.16 -0.16 0.68 0.00 0.00 0.00 174.94 175.54 2wb1 s VAL 157 N 1.69 2.90 0.00 2.92 -7.23 -0.94 -1.53 120.40 118.20 2wb1 s VAL 157 Ca 0.05 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2wb1 s VAL 157 Cb -0.18 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2wb1 s VAL 157 CO 0.10 0.38 0.00 0.59 -0.31 0.00 0.00 175.10 175.86 2wb1 n ASN 158 N 1.66 -0.35 0.00 4.85 3.02 -1.26 -1.59 115.26 121.60 2wb1 n ASN 158 Ca -0.16 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2wb1 n ASN 158 Cb 0.52 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2wb1 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 159 N -0.17 3.18 3.93 7.41 0.00 -1.18 -4.25 105.19 114.11 2wb1 n GLY 159 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 2wb1 n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wb1 s SER 160 N 0.00 6.30 0.67 1.61 1.04 -0.62 -4.05 113.70 118.64 2wb1 s SER 160 Ca 0.00 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 2wb1 s SER 160 Cb 0.00 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 2wb1 s SER 160 CO 0.00 -0.33 1.05 -1.61 0.98 0.00 0.00 173.24 173.33 2wb1 s GLU 161 N -4.33 3.16 -0.21 4.02 2.02 -1.26 -2.22 118.70 119.89 2wb1 s GLU 161 Ca 0.41 0.90 -0.08 0.00 0.02 0.00 0.00 54.97 56.22 2wb1 s GLU 161 Cb -0.10 -2.02 0.09 0.00 0.10 0.00 0.00 34.13 32.20 2wb1 s GLU 161 CO 0.37 -0.92 0.44 0.50 0.02 0.00 0.00 175.26 175.67 2wb1 s ARG 162 N -5.06 0.36 -0.13 1.61 6.06 0.15 -4.04 118.95 117.90 2wb1 s ARG 162 Ca 0.57 1.06 0.02 0.00 -2.50 0.00 0.00 55.73 54.88 2wb1 s ARG 162 Cb -0.13 0.35 0.01 0.00 0.06 0.00 0.00 34.95 35.24 2wb1 s ARG 162 CO 0.54 -0.24 -0.20 0.54 -2.50 0.00 0.00 175.30 173.45 2wb1 s VAL 163 N 2.51 1.86 -1.02 7.11 0.11 -0.35 0.14 120.40 130.76 2wb1 s VAL 163 Ca -0.03 -0.86 -0.23 0.00 -2.93 0.00 0.00 61.98 57.93 2wb1 s VAL 163 Cb -0.12 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 33.11 2wb1 s VAL 163 CO -0.13 0.51 1.59 -0.63 -3.33 0.00 0.00 175.10 173.10 2wb1 s ILE 164 N 0.86 3.83 0.57 7.04 1.01 -1.26 -1.66 121.20 131.59 2wb1 s ILE 164 Ca -0.07 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 2wb1 s ILE 164 Cb -0.15 -4.84 -0.05 0.00 0.01 0.00 0.00 42.46 37.43 2wb1 s ILE 164 CO -0.01 -1.72 1.14 0.54 0.00 0.00 0.00 174.94 174.89 2wb1 s VAL 165 N 6.12 3.05 0.24 2.92 0.11 -0.74 -4.46 120.40 127.64 2wb1 s VAL 165 Ca 0.52 0.63 -0.30 0.00 -2.93 0.00 0.00 61.98 59.90 2wb1 s VAL 165 Cb -0.01 -3.23 -0.09 0.00 -1.53 0.00 0.00 36.38 31.52 2wb1 s VAL 165 CO -0.06 -0.16 0.99 0.28 -3.33 0.00 0.00 175.10 172.82 2wb1 s THR 166 N -1.80 3.92 -0.17 5.04 -1.32 -1.25 -4.82 115.64 115.23 2wb1 s THR 166 Ca 0.73 1.91 -0.05 0.00 -1.21 0.00 0.00 61.69 63.07 2wb1 s THR 166 Cb -0.25 -4.21 -0.03 0.00 -1.51 0.00 0.00 72.50 66.50 2wb1 s THR 166 CO 0.30 0.45 -0.00 -1.10 -2.21 0.00 0.00 174.62 172.05 2wb1 s GLN 167 N -1.18 3.77 0.06 7.08 -1.52 -1.14 0.33 119.66 127.07 2wb1 s GLN 167 Ca 0.42 -0.46 -0.24 0.00 -1.95 0.00 0.00 55.36 53.13 2wb1 s GLN 167 Cb -0.28 -3.03 -0.06 0.00 -0.22 0.00 0.00 33.01 29.43 2wb1 s GLN 167 CO 0.35 0.24 0.75 -2.00 -0.25 0.00 0.00 175.29 174.37 2wb1 s GLU 168 N 0.41 4.48 0.02 2.91 2.12 0.65 -0.64 118.70 128.66 2wb1 s GLU 168 Ca -0.01 1.04 0.05 0.00 0.36 0.00 0.00 54.97 56.40 2wb1 s GLU 168 Cb -0.14 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2wb1 s GLU 168 CO 0.02 0.33 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.42 2wb1 s ASP 169 N -0.22 1.68 0.34 -1.70 1.11 -0.48 -0.06 116.67 117.34 2wb1 s ASP 169 Ca 0.37 -0.39 -0.29 0.00 0.18 0.00 0.00 52.55 52.42 2wb1 s ASP 169 Cb -0.21 -0.13 -0.11 0.00 1.07 0.00 0.00 42.92 43.54 2wb1 s ASP 169 CO 0.23 0.08 1.53 -0.11 1.18 0.00 0.00 175.17 178.08 2wb1 n LEU 170 N 2.17 4.56 -4.59 1.23 0.00 -1.26 -0.85 117.00 118.26 2wb1 n LEU 170 Ca -0.17 1.19 -0.52 0.00 0.00 0.00 0.00 56.01 56.52 2wb1 n LEU 170 Cb 0.55 -1.61 -0.06 0.00 0.00 0.00 0.00 43.42 42.30 2wb1 n LEU 170 CO 0.23 0.14 0.92 0.00 0.00 0.00 0.00 177.39 178.68 2wb1 n ALA 171 N 1.20 -0.82 -2.02 1.96 0.00 -0.75 -4.73 120.51 115.35 2wb1 n ALA 171 Ca 0.05 0.51 -0.24 0.00 0.00 0.00 0.00 53.44 53.76 2wb1 n ALA 171 Cb 0.38 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.78 2wb1 n ALA 171 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wb1 s PRO 172 N 0.49 2.55 0.00 0.00 0.04 -1.26 -4.66 135.00 132.15 2wb1 s PRO 172 Ca 0.84 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2wb1 s PRO 172 Cb -0.93 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2wb1 s PRO 172 CO 0.46 -0.83 0.00 0.09 0.04 0.00 0.00 177.00 176.76 2wb1 n ASN 173 N -2.54 0.00 -4.61 6.66 3.02 1.20 -4.86 115.26 114.13 2wb1 n ASN 173 Ca 0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 2wb1 n ASN 173 Cb 0.59 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.80 2wb1 n ASN 173 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2wb1 n ARG 174 N 0.00 1.14 -2.40 3.52 1.85 -1.26 -4.31 116.66 115.19 2wb1 n ARG 174 Ca 0.00 0.42 -0.43 0.00 -1.00 0.00 0.00 57.85 56.84 2wb1 n ARG 174 Cb 0.00 -2.11 -0.02 0.00 -1.05 0.00 0.00 32.46 29.28 2wb1 n ARG 174 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wb1 s VAL 175 N -1.41 4.15 -0.43 8.89 1.01 -1.26 -4.26 120.40 127.09 2wb1 s VAL 175 Ca 0.69 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.97 2wb1 s VAL 175 Cb -0.48 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 31.93 2wb1 s VAL 175 CO 0.52 -0.37 0.22 -0.76 0.00 0.00 0.00 175.10 174.72 2wb1 s LEU 176 N 4.19 5.25 0.51 3.92 1.43 -0.94 -4.89 118.68 128.14 2wb1 s LEU 176 Ca 0.57 -2.11 -0.20 0.00 -1.03 0.00 0.00 54.13 51.36 2wb1 s LEU 176 Cb -0.19 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 2wb1 s LEU 176 CO 0.21 -0.53 1.08 -0.69 0.23 0.00 0.00 176.35 176.65 2wb1 s VAL 177 N 1.03 3.53 -0.00 -1.59 1.01 -1.26 0.12 120.40 123.23 2wb1 s VAL 177 Ca 0.09 0.96 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 2wb1 s VAL 177 Cb -0.23 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.85 2wb1 s VAL 177 CO -0.04 -0.20 0.74 -0.62 0.00 0.00 0.00 175.10 174.99 2wb1 s ASP 178 N -1.88 -0.54 -0.32 3.32 -1.08 0.11 -2.77 116.67 113.50 2wb1 s ASP 178 Ca 0.69 0.36 -0.14 0.00 -0.52 0.00 0.00 52.55 52.94 2wb1 s ASP 178 Cb -0.20 0.49 -0.02 0.00 -1.46 0.00 0.00 42.92 41.73 2wb1 s ASP 178 CO 0.23 -0.66 0.30 -0.89 0.52 0.00 0.00 175.17 174.67 2wb1 s THR 179 N -2.18 5.22 -0.36 1.71 2.01 -1.26 0.85 115.64 121.63 2wb1 s THR 179 Ca -0.04 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.09 2wb1 s THR 179 Cb -0.01 -3.72 0.51 0.00 0.01 0.00 0.00 72.50 69.29 2wb1 s THR 179 CO -0.01 0.03 1.58 0.61 -0.69 0.00 0.00 174.62 176.14 2wb1 n GLY 180 N 4.97 3.44 0.68 4.40 0.00 0.33 -4.77 105.19 114.25 2wb1 n GLY 180 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2wb1 n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 181 N -0.36 0.00 -0.28 1.61 5.02 -1.06 -3.92 118.16 119.17 2wb1 n LYS 181 Ca 0.36 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 2wb1 n LYS 181 Cb 1.22 -1.15 0.40 0.00 -0.02 0.00 0.00 35.03 35.49 2wb1 n LYS 181 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wb1 h THR 182 N 0.34 0.76 0.00 -0.18 2.02 -1.86 -3.45 112.91 110.55 2wb1 h THR 182 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2wb1 h THR 182 Cb 0.00 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2wb1 h THR 182 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 2wb1 n GLY 183 N -1.43 0.18 0.00 2.16 0.00 -1.25 -5.18 105.19 99.67 2wb1 n GLY 183 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wb1 n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 184 N 0.00 0.00 0.21 1.61 3.41 -1.26 -5.01 113.62 112.57 2wb1 n SER 184 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2wb1 n SER 184 Cb 0.00 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.37 2wb1 n SER 184 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wb1 h ASN 185 N 0.00 0.00 -3.47 4.04 4.21 -1.98 -3.42 115.58 114.96 2wb1 h ASN 185 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 2wb1 h ASN 185 Cb 0.00 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.09 2wb1 h ASN 185 CO 0.00 0.29 0.26 -0.63 -1.29 0.00 0.00 177.43 176.06 2wb1 s ILE 186 N -3.71 4.89 -0.16 2.81 -1.09 -1.26 -4.43 121.20 118.25 2wb1 s ILE 186 Ca -0.00 1.08 -0.15 0.00 -2.23 0.00 0.00 60.65 59.35 2wb1 s ILE 186 Cb 0.11 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2wb1 s ILE 186 CO 0.66 -0.13 -0.30 0.41 -1.23 0.00 0.00 174.94 174.35 2wb1 n THR 187 N 5.39 1.38 -4.43 2.92 -1.04 -1.22 -4.12 114.28 113.16 2wb1 n THR 187 Ca 0.01 0.18 -0.24 0.00 -2.04 0.00 0.00 64.05 61.96 2wb1 n THR 187 Cb 0.48 -2.30 -0.13 0.00 -1.82 0.00 0.00 70.33 66.57 2wb1 n THR 187 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2wb1 s HIS 188 N -2.66 1.71 0.24 -1.42 3.76 -1.26 0.12 115.29 115.78 2wb1 s HIS 188 Ca -0.25 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.22 2wb1 s HIS 188 Cb 0.03 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 2wb1 s HIS 188 CO 0.36 0.14 0.30 -0.08 -0.85 0.00 0.00 174.74 174.61 2wb1 s THR 189 N -0.99 0.00 0.03 1.30 -1.32 0.25 -2.84 115.64 112.06 2wb1 s THR 189 Ca 0.06 -1.75 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 2wb1 s THR 189 Cb -0.09 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2wb1 s THR 189 CO 0.03 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 172.37 2wb1 s ALA 190 N -3.98 0.55 -0.32 11.08 0.00 -1.12 0.03 121.76 128.01 2wb1 s ALA 190 Ca 0.32 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2wb1 s ALA 190 Cb 0.03 0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.26 2wb1 s ALA 190 CO 0.12 0.01 0.06 0.21 0.00 0.00 0.00 175.76 176.16 2wb1 s LYS 191 N -1.27 1.25 -0.28 0.00 2.20 0.32 -3.18 119.74 118.78 2wb1 s LYS 191 Ca -0.07 -1.56 -0.08 0.00 -0.36 0.00 0.00 55.97 53.89 2wb1 s LYS 191 Cb -0.08 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2wb1 s LYS 191 CO 0.00 -0.93 0.11 0.42 -0.36 0.00 0.00 175.35 174.59 2wb1 s ILE 192 N 1.16 4.48 -0.39 5.43 1.01 -0.96 -2.20 121.20 129.73 2wb1 s ILE 192 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 2wb1 s ILE 192 Cb -0.18 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.19 2wb1 s ILE 192 CO -0.14 0.22 0.18 -0.63 0.00 0.00 0.00 174.94 174.57 2wb1 s ILE 193 N 1.62 3.61 -0.17 2.92 -1.09 -1.26 -2.90 121.20 123.92 2wb1 s ILE 193 Ca 0.06 -1.61 -0.17 0.00 -2.23 0.00 0.00 60.65 56.70 2wb1 s ILE 193 Cb -0.16 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2wb1 s ILE 193 CO 0.05 -0.47 0.44 -0.94 -1.23 0.00 0.00 174.94 172.79 2wb1 s SER 194 N 1.79 6.53 0.03 3.58 1.04 -1.23 0.38 113.70 125.82 2wb1 s SER 194 Ca 0.03 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2wb1 s SER 194 Cb -0.22 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2wb1 s SER 194 CO -0.01 -0.06 0.00 -1.54 0.98 0.00 0.00 173.24 172.61 2wb1 n SER 195 N 4.23 0.23 -3.13 7.02 3.41 -1.26 -2.42 113.62 121.71 2wb1 n SER 195 Ca -0.07 0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.64 2wb1 n SER 195 Cb 0.51 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2wb1 n SER 195 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wb1 s THR 196 N -1.26 -0.26 -1.27 6.66 2.01 -1.26 -3.70 115.64 116.57 2wb1 s THR 196 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 2wb1 s THR 196 Cb 0.00 -0.24 0.33 0.00 0.01 0.00 0.00 72.50 72.60 2wb1 s THR 196 CO 0.00 0.00 1.14 0.00 -0.69 0.00 0.00 174.62 175.07 2wb1 n ALA 197 N 5.02 2.82 -3.00 7.40 0.00 0.28 -5.01 120.51 128.01 2wb1 n ALA 197 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2wb1 n ALA 197 Cb 0.58 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 2wb1 n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wb1 n ARG 200 N 0.37 -1.66 -3.34 0.00 5.12 -1.26 -4.85 116.66 111.04 2wb1 n ARG 200 Ca 0.12 1.59 -0.26 0.00 -1.93 0.00 0.00 57.85 57.38 2wb1 n ARG 200 Cb 0.49 -2.25 -0.08 0.00 -1.16 0.00 0.00 32.46 29.46 2wb1 n ARG 200 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wb1 n VAL 201 N 1.56 0.49 0.00 1.55 0.31 -1.26 -4.97 118.33 116.01 2wb1 n VAL 201 Ca -0.05 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.84 2wb1 n VAL 201 Cb 0.29 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 2wb1 n VAL 201 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wb1 n PRO 202 N 1.38 3.33 -3.54 5.55 -0.05 -1.24 -4.98 135.00 135.45 2wb1 n PRO 202 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.70 2wb1 n PRO 202 Cb 0.47 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.88 2wb1 n PRO 202 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2wb1 s VAL 203 N 1.75 -0.89 -0.16 0.52 0.11 -1.26 -4.58 120.40 115.90 2wb1 s VAL 203 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2wb1 s VAL 203 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2wb1 s VAL 203 CO 0.00 0.00 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.79 2wb1 s THR 204 N 2.81 3.28 -0.03 5.04 2.01 -1.01 -4.99 115.64 122.74 2wb1 s THR 204 Ca -0.03 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2wb1 s THR 204 Cb -0.11 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 2wb1 s THR 204 CO -0.19 0.49 1.67 -0.63 -0.69 0.00 0.00 174.62 175.27 2wb1 s ILE 205 N 0.69 3.47 -0.18 1.82 1.09 -1.26 -3.53 121.20 123.29 2wb1 s ILE 205 Ca -0.05 0.64 -0.00 0.00 -1.10 0.00 0.00 60.65 60.14 2wb1 s ILE 205 Cb -0.15 -3.41 0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2wb1 s ILE 205 CO 0.02 -0.05 -0.06 -1.61 -0.10 0.00 0.00 174.94 173.14 2wb1 s GLU 206 N 3.81 1.58 0.17 2.79 0.41 -1.14 -4.38 118.70 121.93 2wb1 s GLU 206 Ca 0.74 -0.65 0.09 0.00 -0.41 0.00 0.00 54.97 54.74 2wb1 s GLU 206 Cb -0.35 -2.18 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 2wb1 s GLU 206 CO 0.31 -0.46 -0.18 1.03 -0.49 0.00 0.00 175.26 175.47 2wb1 s ARG 207 N 1.56 1.28 -0.34 1.61 0.52 -1.20 -2.27 118.95 120.11 2wb1 s ARG 207 Ca -0.01 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 53.77 2wb1 s ARG 207 Cb -0.16 -1.34 0.12 0.00 0.52 0.00 0.00 34.95 34.09 2wb1 s ARG 207 CO -0.08 0.27 0.17 -0.51 0.02 0.00 0.00 175.30 175.18 2wb1 s LEU 208 N -2.69 1.18 0.72 2.53 1.43 -1.19 -1.73 118.68 118.93 2wb1 s LEU 208 Ca 0.16 -1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 51.35 2wb1 s LEU 208 Cb -0.06 -0.51 0.11 0.00 0.03 0.00 0.00 46.19 45.76 2wb1 s LEU 208 CO 0.07 -0.36 1.01 -0.54 0.23 0.00 0.00 176.35 176.75 2wb1 s LYS 209 N 1.40 1.78 0.00 1.70 1.02 -0.53 -2.77 119.74 122.34 2wb1 s LYS 209 Ca 0.14 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2wb1 s LYS 209 Cb -0.20 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2wb1 s LYS 209 CO -0.15 -1.42 0.00 -3.47 -0.92 0.00 0.00 175.35 169.39 2wb1 n ASP 210 N -2.90 0.00 0.00 2.83 -0.08 -1.22 -4.07 116.55 111.10 2wb1 n ASP 210 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2wb1 n ASP 210 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2wb1 n ASP 210 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wb1 n GLY 211 N 0.00 0.29 3.12 0.27 0.00 -1.13 -3.39 105.19 104.35 2wb1 n GLY 211 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2wb1 n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wb1 s THR 212 N 0.00 3.38 0.29 2.61 2.01 -1.26 -4.79 115.64 117.89 2wb1 s THR 212 Ca 0.00 -2.19 0.00 0.00 0.31 0.00 0.00 61.69 59.81 2wb1 s THR 212 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2wb1 s THR 212 CO 0.00 -0.72 0.00 0.49 -0.69 0.00 0.00 174.62 173.70 2wb1 n PHE 213 N 4.44 -3.57 -4.06 4.92 3.01 -1.26 -4.86 117.46 116.08 2wb1 n PHE 213 Ca -0.01 0.94 -0.14 0.00 1.01 0.00 0.00 57.45 59.26 2wb1 n PHE 213 Cb 0.41 2.44 -0.13 0.00 -0.01 0.00 0.00 39.48 42.19 2wb1 n PHE 213 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2wb1 s HIS 214 N -2.00 0.40 -0.17 1.38 3.76 -1.26 0.55 115.29 117.96 2wb1 s HIS 214 Ca 0.00 -0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 54.65 2wb1 s HIS 214 Cb 0.00 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 2wb1 s HIS 214 CO 0.00 -0.04 -0.01 0.08 -0.85 0.00 0.00 174.74 173.92 2wb1 s VAL 215 N -0.54 4.12 0.22 -0.90 1.01 0.17 -1.46 120.40 123.03 2wb1 s VAL 215 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2wb1 s VAL 215 Cb -0.04 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2wb1 s VAL 215 CO -0.00 0.48 0.34 -0.94 0.00 0.00 0.00 175.10 174.98 2wb1 s SER 216 N 0.41 6.31 -0.30 3.32 1.04 -0.71 -1.71 113.70 122.06 2wb1 s SER 216 Ca -0.02 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 2wb1 s SER 216 Cb -0.14 -1.86 0.14 0.00 0.10 0.00 0.00 66.02 64.25 2wb1 s SER 216 CO 0.02 -0.04 0.78 0.12 0.98 0.00 0.00 173.24 175.10 2wb1 s PHE 217 N -1.92 -1.06 0.18 5.02 5.36 -1.26 -3.25 117.98 121.06 2wb1 s PHE 217 Ca 0.34 1.88 0.27 0.00 -0.96 0.00 0.00 56.93 58.46 2wb1 s PHE 217 Cb -0.10 0.63 1.11 0.00 -0.34 0.00 0.00 43.02 44.33 2wb1 s PHE 217 CO 0.29 -0.52 1.90 -1.00 -1.46 0.00 0.00 175.22 174.43 2wb1 h PRO 218 N 7.58 0.00 0.00 10.12 0.13 -1.99 -3.09 132.00 144.75 2wb1 h PRO 218 Ca -0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 2wb1 h PRO 218 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2wb1 h PRO 218 CO 0.11 0.16 -0.54 0.00 -0.23 0.00 0.00 178.00 177.50 2wb1 h ALA 219 N 1.84 0.76 -2.68 -0.56 0.00 -1.96 -3.39 119.26 113.27 2wb1 h ALA 219 Ca -0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 2wb1 h ALA 219 Cb 0.63 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.03 2wb1 h ALA 219 CO 0.02 0.24 -0.79 0.28 0.00 0.00 0.00 179.25 179.00 2wb1 n VAL 220 N -2.99 0.14 -0.83 0.00 0.31 -1.17 -4.99 118.33 108.81 2wb1 n VAL 220 Ca 0.01 -4.12 -0.33 0.00 -0.01 0.00 0.00 64.34 59.89 2wb1 n VAL 220 Cb 0.61 -1.91 0.13 0.00 -0.91 0.00 0.00 33.84 31.77 2wb1 n VAL 220 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wb1 n PRO 221 N 2.38 -0.25 0.00 5.55 -0.04 -1.25 -3.69 135.00 137.69 2wb1 n PRO 221 Ca 0.25 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2wb1 n PRO 221 Cb 0.42 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2wb1 n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wb1 n GLY 222 N 1.09 3.17 0.84 0.55 0.00 -1.26 -4.95 105.19 104.63 2wb1 n GLY 222 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2wb1 n GLY 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 223 N 0.00 -1.47 -5.11 1.61 5.02 -1.24 -5.07 118.16 111.90 2wb1 n LYS 223 Ca 0.00 1.35 -0.32 0.00 -2.02 0.00 0.00 58.31 57.32 2wb1 n LYS 223 Cb 0.00 -1.13 -0.15 0.00 -0.02 0.00 0.00 35.03 33.73 2wb1 n LYS 223 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wb1 s ILE 224 N -0.33 2.47 -0.37 -0.18 -1.09 -0.70 -4.92 121.20 116.08 2wb1 s ILE 224 Ca 0.00 -0.93 -0.44 0.00 -2.23 0.00 0.00 60.65 57.05 2wb1 s ILE 224 Cb 0.00 -1.93 -0.19 0.00 -1.58 0.00 0.00 42.46 38.76 2wb1 s ILE 224 CO 0.00 0.57 1.59 -2.65 -1.23 0.00 0.00 174.94 173.22 2wb1 n PRO 225 N 2.69 0.37 -0.33 2.79 -0.02 -1.26 -0.65 135.00 138.59 2wb1 n PRO 225 Ca -0.17 0.14 0.23 0.00 -2.02 0.00 0.00 63.50 61.67 2wb1 n PRO 225 Cb 0.52 -1.69 0.46 0.00 -0.02 0.00 0.00 33.50 32.76 2wb1 n PRO 225 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wb1 h PHE 226 N 5.44 0.90 0.01 6.00 3.57 -0.20 -1.65 116.94 131.01 2wb1 h PHE 226 Ca -0.45 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 60.88 2wb1 h PHE 226 Cb 1.36 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2wb1 h PHE 226 CO 0.68 -0.16 -0.93 -0.24 -2.23 0.00 0.00 178.31 175.42 2wb1 h VAL 227 N 0.33 1.60 -0.12 1.41 3.04 -1.88 -2.14 116.25 118.48 2wb1 h VAL 227 Ca 0.72 -2.98 -0.00 0.00 -1.01 0.00 0.00 66.70 63.42 2wb1 h VAL 227 Cb 1.61 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 33.54 2wb1 h VAL 227 CO -0.60 0.86 0.06 0.40 -1.01 0.00 0.00 177.57 177.27 2wb1 h ILE 228 N 0.03 1.12 -0.02 3.17 2.04 -1.68 0.51 117.51 122.67 2wb1 h ILE 228 Ca -0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2wb1 h ILE 228 Cb 1.61 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2wb1 h ILE 228 CO 0.13 0.11 -0.27 -0.07 0.00 0.00 0.00 178.15 178.04 2wb1 h LEU 229 N 0.07 0.04 -0.53 1.44 3.38 -1.57 0.21 115.31 118.35 2wb1 h LEU 229 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2wb1 h LEU 229 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2wb1 h LEU 229 CO -0.01 0.32 -0.57 0.24 0.09 0.00 0.00 178.44 178.51 2wb1 h MET 230 N 0.04 0.49 0.14 1.13 2.86 -1.14 -3.20 114.93 115.25 2wb1 h MET 230 Ca 0.00 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 2wb1 h MET 230 Cb 0.50 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2wb1 h MET 230 CO 0.04 0.93 -0.07 -0.09 1.06 0.00 0.00 176.91 178.78 2wb1 h ARG 231 N 0.37 -0.18 0.00 1.72 2.43 -0.19 -3.18 114.38 115.35 2wb1 h ARG 231 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2wb1 h ARG 231 Cb 1.11 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2wb1 h ARG 231 CO 0.10 0.11 0.03 0.00 -1.51 0.00 0.00 179.97 178.71 2wb1 n ALA 232 N -2.33 0.96 -0.05 2.80 0.00 -0.00 -2.37 120.51 119.51 2wb1 n ALA 232 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2wb1 n ALA 232 Cb 0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2wb1 n ALA 232 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wb1 h LEU 233 N 0.00 0.00 0.00 0.00 3.38 -1.54 -3.47 115.31 113.68 2wb1 h LEU 233 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wb1 h LEU 233 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wb1 h LEU 233 CO 0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2wb1 n GLY 234 N 1.75 0.00 3.63 0.83 0.00 -1.00 -4.57 105.19 105.82 2wb1 n GLY 234 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2wb1 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 235 N 0.00 4.58 -0.20 -0.61 1.01 -1.24 -4.91 121.20 119.84 2wb1 s ILE 235 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 60.65 62.06 2wb1 s ILE 235 Cb 0.00 -4.35 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 2wb1 s ILE 235 CO 0.00 -0.44 -0.29 0.18 0.00 0.00 0.00 174.94 174.39 2wb1 n LEU 236 N 6.71 1.68 -4.73 2.97 4.77 -1.26 -4.19 117.00 122.96 2wb1 n LEU 236 Ca 0.09 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 2wb1 n LEU 236 Cb 0.47 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2wb1 n LEU 236 CO 0.57 0.19 1.04 0.41 -1.33 0.00 0.00 177.39 178.27 2wb1 n THR 237 N -4.12 1.69 -0.05 -5.08 -1.04 -1.26 -4.90 114.28 99.52 2wb1 n THR 237 Ca -0.34 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.05 61.17 2wb1 n THR 237 Cb 0.69 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 2wb1 n THR 237 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wb1 h ASP 238 N 3.27 -0.17 0.29 8.00 3.32 -2.00 -1.95 116.42 127.18 2wb1 h ASP 238 Ca -0.47 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2wb1 h ASP 238 Cb 1.26 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2wb1 h ASP 238 CO 0.68 -0.06 -0.26 0.03 -1.72 0.00 0.00 179.24 177.91 2wb1 h ARG 239 N 0.02 0.00 0.00 3.56 3.08 -1.98 -0.41 114.38 118.65 2wb1 h ARG 239 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2wb1 h ARG 239 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2wb1 h ARG 239 CO -0.22 0.26 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.30 2wb1 h ASP 240 N 0.00 0.00 0.05 7.04 5.19 -1.74 -1.71 116.42 125.25 2wb1 h ASP 240 Ca -0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 2wb1 h ASP 240 Cb 0.47 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 2wb1 h ASP 240 CO 0.03 0.20 -1.96 -0.38 -3.12 0.00 0.00 179.24 174.02 2wb1 n ILE 241 N -3.45 1.63 0.16 0.35 5.41 -0.80 -3.07 119.36 119.59 2wb1 n ILE 241 Ca -0.00 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 63.17 2wb1 n ILE 241 Cb 0.39 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 2wb1 n ILE 241 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2wb1 h VAL 242 N -0.37 0.41 -0.10 1.39 2.07 -1.15 -3.05 116.25 115.44 2wb1 h VAL 242 Ca -0.47 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2wb1 h VAL 242 Cb 1.76 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2wb1 h VAL 242 CO -0.09 0.00 -0.54 1.88 0.02 0.00 0.00 177.57 178.83 2wb1 h TYR 243 N -0.54 0.37 0.00 1.57 -1.99 -1.48 -3.15 116.97 111.75 2wb1 h TYR 243 Ca 0.01 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 2wb1 h TYR 243 Cb 0.53 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.19 2wb1 h TYR 243 CO -0.21 0.78 -0.01 0.00 -0.00 0.00 0.00 178.16 178.72 2wb1 h ALA 244 N 1.20 1.64 0.10 3.88 0.00 -1.48 -1.69 119.26 122.91 2wb1 h ALA 244 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wb1 h ALA 244 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2wb1 h ALA 244 CO 0.09 0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.58 2wb1 h VAL 245 N 0.00 1.13 -1.52 0.00 2.07 -1.49 -3.40 116.25 113.05 2wb1 h VAL 245 Ca -0.00 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.54 2wb1 h VAL 245 Cb 0.02 1.79 -0.24 0.00 -1.52 0.00 0.00 31.29 31.35 2wb1 h VAL 245 CO 0.00 0.25 0.57 -0.94 0.02 0.00 0.00 177.57 177.47 2wb1 s SER 246 N -5.54 -0.35 0.55 0.57 1.04 -0.64 -4.60 113.70 104.74 2wb1 s SER 246 Ca -0.15 0.44 -0.20 0.00 0.48 0.00 0.00 55.95 56.52 2wb1 s SER 246 Cb 0.01 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2wb1 s SER 246 CO 0.60 -0.28 1.19 -0.76 0.98 0.00 0.00 173.24 174.96 2wb1 s LEU 247 N -0.88 3.76 0.00 2.42 1.43 -1.21 -4.23 118.68 119.97 2wb1 s LEU 247 Ca -0.00 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2wb1 s LEU 247 Cb -0.01 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2wb1 s LEU 247 CO -0.01 -1.36 0.00 0.47 0.23 0.00 0.00 176.35 175.68 2wb1 n ASP 248 N -1.27 0.00 0.25 2.29 8.00 -1.26 -4.79 116.55 119.77 2wb1 n ASP 248 Ca 0.12 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.75 2wb1 n ASP 248 Cb 0.49 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 42.14 2wb1 n ASP 248 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2wb1 h PRO 249 N 0.44 0.00 0.00 -0.24 0.11 -1.90 -3.46 132.00 126.95 2wb1 h PRO 249 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wb1 h PRO 249 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wb1 h PRO 249 CO 0.00 0.12 0.00 -1.91 -0.21 0.00 0.00 178.00 176.00 2wb1 n GLU 250 N -3.26 0.00 0.22 1.05 2.13 -1.26 -0.69 120.64 118.82 2wb1 n GLU 250 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2wb1 n GLU 250 Cb 0.38 0.00 0.48 0.00 0.27 0.00 0.00 31.44 32.57 2wb1 n GLU 250 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wb1 h ILE 251 N 0.00 1.14 -0.72 6.31 2.04 -2.01 -3.26 117.51 121.01 2wb1 h ILE 251 Ca 0.00 -0.71 -0.49 0.00 1.00 0.00 0.00 64.86 64.66 2wb1 h ILE 251 Cb 0.00 1.39 -0.30 0.00 -0.74 0.00 0.00 36.82 37.17 2wb1 h ILE 251 CO 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 2wb1 n GLN 252 N -4.29 2.81 -2.26 2.37 -0.00 0.13 -4.44 117.38 111.70 2wb1 n GLN 252 Ca -0.02 -3.61 -0.40 0.00 -0.00 0.00 0.00 57.00 52.97 2wb1 n GLN 252 Cb 0.27 -2.15 0.02 0.00 -0.00 0.00 0.00 30.24 28.38 2wb1 n GLN 252 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2wb1 n ASN 253 N -0.90 7.43 -0.04 2.61 3.02 -1.23 -4.79 115.26 121.36 2wb1 n ASN 253 Ca 0.47 -3.70 -0.14 0.00 -0.03 0.00 0.00 54.58 51.19 2wb1 n ASN 253 Cb 0.92 -1.14 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 2wb1 n ASN 253 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2wb1 h GLU 254 N 3.68 0.02 -2.26 3.52 5.08 -1.89 -3.37 114.58 119.36 2wb1 h GLU 254 Ca 0.55 -0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 58.28 2wb1 h GLU 254 Cb 0.22 0.01 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 2wb1 h GLU 254 CO 1.29 0.78 -0.48 1.28 -1.00 0.00 0.00 179.01 180.88 2wb1 n LEU 255 N -4.70 4.16 0.09 1.33 4.77 -1.26 -4.35 117.00 117.04 2wb1 n LEU 255 Ca -0.09 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.40 2wb1 n LEU 255 Cb 0.39 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2wb1 n LEU 255 CO 0.34 2.10 0.00 0.49 -1.33 0.00 0.00 177.39 178.99 2wb1 n PHE 256 N 0.63 -1.94 0.58 -1.77 3.01 -1.26 -4.17 117.46 112.55 2wb1 n PHE 256 Ca 0.30 0.40 -0.01 0.00 1.01 0.00 0.00 57.45 59.15 2wb1 n PHE 256 Cb 0.40 1.01 0.06 0.00 -0.01 0.00 0.00 39.48 40.94 2wb1 n PHE 256 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2wb1 n PRO 257 N -3.01 1.55 -2.12 -1.08 -0.05 -1.26 -3.55 135.00 125.48 2wb1 n PRO 257 Ca 0.00 -0.63 -0.02 0.00 -0.05 0.00 0.00 63.50 62.79 2wb1 n PRO 257 Cb 0.00 -1.47 0.05 0.00 -0.05 0.00 0.00 33.50 32.03 2wb1 n PRO 257 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2wb1 n SER 258 N 0.14 -0.51 -1.57 3.54 3.41 -1.26 -4.87 113.62 112.49 2wb1 n SER 258 Ca 0.09 -2.10 -0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2wb1 n SER 258 Cb 0.58 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2wb1 n SER 258 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wb1 n LEU 259 N -0.74 0.31 -2.50 1.04 0.00 -1.23 -4.44 117.00 109.43 2wb1 n LEU 259 Ca -0.13 -2.19 -0.19 0.00 0.00 0.00 0.00 56.01 53.50 2wb1 n LEU 259 Cb 0.85 0.06 -0.10 0.00 0.00 0.00 0.00 43.42 44.22 2wb1 n LEU 259 CO -0.10 0.94 2.04 -0.62 0.00 0.00 0.00 177.39 179.64 2wb1 n GLU 260 N 0.10 2.23 0.25 1.96 1.02 -1.26 -4.20 120.64 120.75 2wb1 n GLU 260 Ca -0.06 -1.25 0.12 0.00 -0.02 0.00 0.00 57.16 55.95 2wb1 n GLU 260 Cb 0.96 -2.20 0.66 0.00 -0.02 0.00 0.00 31.44 30.84 2wb1 n GLU 260 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2wb1 h GLN 261 N 4.16 0.00 -3.77 3.49 4.15 -1.96 -3.29 115.11 117.89 2wb1 h GLN 261 Ca 0.38 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.37 2wb1 h GLN 261 Cb 0.91 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.63 2wb1 h GLN 261 CO 0.78 0.15 2.39 0.00 -1.93 0.00 0.00 178.83 180.22 2wb1 n ALA 262 N -2.27 4.01 -0.03 3.38 0.00 -1.26 -4.45 120.51 119.90 2wb1 n ALA 262 Ca -0.01 -2.19 -0.15 0.00 0.00 0.00 0.00 53.44 51.08 2wb1 n ALA 262 Cb 0.28 -3.14 -0.10 0.00 0.00 0.00 0.00 19.45 16.50 2wb1 n ALA 262 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wb1 h SER 263 N 6.90 0.43 -0.06 0.00 0.87 -1.96 -3.34 113.55 116.38 2wb1 h SER 263 Ca 0.44 -0.67 -0.12 0.00 -1.23 0.00 0.00 61.79 60.21 2wb1 h SER 263 Cb 0.29 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2wb1 h SER 263 CO 1.56 1.02 -0.42 0.28 -0.53 0.00 0.00 176.83 178.74 2wb1 h SER 264 N -0.14 0.48 -3.31 6.23 0.02 -1.94 -3.46 113.55 111.44 2wb1 h SER 264 Ca -0.03 -0.67 -0.59 0.00 -0.84 0.00 0.00 61.79 59.66 2wb1 h SER 264 Cb 1.02 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 2wb1 h SER 264 CO 0.07 1.08 0.40 -0.63 -1.14 0.00 0.00 176.83 176.61 2wb1 s ILE 265 N -3.55 4.88 -0.02 3.27 -1.09 -1.26 -4.90 121.20 118.53 2wb1 s ILE 265 Ca -0.14 1.55 0.01 0.00 -2.23 0.00 0.00 60.65 59.85 2wb1 s ILE 265 Cb 0.04 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2wb1 s ILE 265 CO 0.80 -0.01 -0.01 0.00 -1.23 0.00 0.00 174.94 174.49 2wb1 n ALA 266 N 5.57 1.95 -2.42 9.38 0.00 -1.26 -4.94 120.51 128.80 2wb1 n ALA 266 Ca 0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 2wb1 n ALA 266 Cb 0.48 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 2wb1 n ALA 266 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wb1 s ASN 267 N -3.82 5.57 0.23 0.00 0.01 -1.26 -5.02 114.94 110.66 2wb1 s ASN 267 Ca -0.02 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 51.72 2wb1 s ASN 267 Cb 0.01 -1.01 0.25 0.00 0.41 0.00 0.00 41.25 40.91 2wb1 s ASN 267 CO 0.07 -0.45 1.64 0.58 -1.51 0.00 0.00 177.10 177.43 2wb1 h VAL 268 N 1.04 1.28 -0.00 1.60 2.07 -1.96 -2.87 116.25 117.40 2wb1 h VAL 268 Ca -0.44 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 2wb1 h VAL 268 Cb 1.26 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2wb1 h VAL 268 CO 0.55 0.45 -0.02 0.44 0.02 0.00 0.00 177.57 179.02 2wb1 h ASP 269 N 0.54 0.02 -0.13 0.57 3.32 -1.95 -3.26 116.42 115.52 2wb1 h ASP 269 Ca 0.07 -0.70 0.04 0.00 0.02 0.00 0.00 57.03 56.46 2wb1 h ASP 269 Cb 0.78 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2wb1 h ASP 269 CO 0.06 0.71 0.10 0.44 -1.72 0.00 0.00 179.24 178.83 2wb1 h ASP 270 N -0.67 0.01 0.08 6.45 3.32 -1.97 -1.61 116.42 122.03 2wb1 h ASP 270 Ca -0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wb1 h ASP 270 Cb 0.71 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2wb1 h ASP 270 CO 0.00 0.01 -0.04 0.00 -1.72 0.00 0.00 179.24 177.49 2wb1 h ALA 271 N 1.93 -0.11 -0.62 3.45 0.00 -1.58 -2.37 119.26 119.96 2wb1 h ALA 271 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2wb1 h ALA 271 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2wb1 h ALA 271 CO -0.00 -0.40 0.21 -0.07 0.00 0.00 0.00 179.25 178.99 2wb1 h LEU 272 N -0.42 0.86 -1.51 0.00 3.38 -1.52 -2.10 115.31 114.00 2wb1 h LEU 272 Ca -0.01 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2wb1 h LEU 272 Cb 0.36 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2wb1 h LEU 272 CO 0.02 0.80 0.41 -0.78 0.09 0.00 0.00 178.44 178.98 2wb1 h ASP 273 N 0.91 0.52 -0.59 -0.43 3.58 -1.27 3.32 116.42 122.46 2wb1 h ASP 273 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2wb1 h ASP 273 Cb 0.24 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2wb1 h ASP 273 CO -0.01 0.34 0.00 0.49 -2.88 0.00 0.00 179.24 177.18 2wb1 n PHE 274 N -4.48 1.46 0.00 0.28 3.01 -0.90 -3.76 117.46 113.08 2wb1 n PHE 274 Ca 0.09 -0.57 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2wb1 n PHE 274 Cb 0.24 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2wb1 n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wb1 n ILE 275 N 0.95 0.00 0.49 4.37 5.41 -0.49 -4.74 119.36 125.35 2wb1 n ILE 275 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2wb1 n ILE 275 Cb 0.88 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 2wb1 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 276 N 3.19 1.92 0.00 7.39 0.00 1.09 -1.38 105.19 117.39 2wb1 n GLY 276 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 276 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 277 N 0.85 1.74 0.17 1.61 3.41 -1.25 -4.39 113.62 115.77 2wb1 n SER 277 Ca 0.00 -0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2wb1 n SER 277 Cb 0.44 0.54 0.17 0.00 -0.26 0.00 0.00 64.21 65.09 2wb1 n SER 277 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wb1 h ARG 278 N 0.00 0.00 0.00 4.33 2.47 -1.53 -3.38 114.38 116.27 2wb1 h ARG 278 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wb1 h ARG 278 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wb1 h ARG 278 CO 0.00 0.35 0.00 0.28 0.56 0.00 0.00 179.97 181.16 2wb1 n VAL 279 N -3.25 0.00 -3.00 2.04 0.31 -1.13 -4.73 118.33 108.56 2wb1 n VAL 279 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.91 2wb1 n VAL 279 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 2wb1 n VAL 279 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 s ALA 280 N -4.00 3.31 0.00 3.52 0.00 -1.26 -4.92 121.76 118.40 2wb1 s ALA 280 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 51.96 49.79 2wb1 s ALA 280 Cb 0.00 -3.70 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 2wb1 s ALA 280 CO 0.00 -2.57 2.13 -0.89 0.00 0.00 0.00 175.76 174.43 2wb1 n ILE 281 N 5.65 1.82 0.00 0.00 5.41 -1.26 -4.62 119.36 126.37 2wb1 n ILE 281 Ca -0.04 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 62.97 2wb1 n ILE 281 Cb 0.44 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 2wb1 n ILE 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 282 N 2.16 0.19 0.00 7.39 0.00 -1.26 -5.04 105.19 108.62 2wb1 n GLY 282 Ca 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2wb1 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLN 283 N 0.00 0.30 -2.34 1.61 10.64 -1.26 -5.01 117.38 121.33 2wb1 n GLN 283 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2wb1 n GLN 283 Cb 0.00 -0.98 -0.03 0.00 -0.86 0.00 0.00 30.24 28.38 2wb1 n GLN 283 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wb1 s LYS 284 N -1.91 3.26 0.17 2.61 1.02 -1.26 -4.89 119.74 118.75 2wb1 s LYS 284 Ca 0.00 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 56.40 2wb1 s LYS 284 Cb 0.00 -4.14 0.05 0.00 -0.52 0.00 0.00 37.83 33.21 2wb1 s LYS 284 CO 0.00 -1.98 1.83 -0.09 -0.92 0.00 0.00 175.35 174.19 2wb1 h ARG 285 N 11.47 0.64 -0.28 1.68 1.12 -1.99 0.40 114.38 127.43 2wb1 h ARG 285 Ca -0.27 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.50 2wb1 h ARG 285 Cb 1.10 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.91 2wb1 h ARG 285 CO 1.17 0.43 -0.05 0.93 -3.11 0.00 0.00 179.97 179.34 2wb1 h GLU 286 N 0.66 0.52 0.00 0.20 3.07 -1.99 -2.86 114.58 114.18 2wb1 h GLU 286 Ca 0.18 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2wb1 h GLU 286 Cb -0.07 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 2wb1 h GLU 286 CO -0.04 0.72 -0.10 -0.91 -1.40 0.00 0.00 179.01 177.27 2wb1 h ASN 287 N 0.28 0.00 0.09 1.42 2.35 -1.74 0.12 115.58 118.10 2wb1 h ASN 287 Ca 0.07 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 2wb1 h ASN 287 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2wb1 h ASN 287 CO 0.02 0.10 -0.79 0.03 -1.65 0.00 0.00 177.43 175.15 2wb1 h ARG 288 N 0.00 0.58 0.00 0.81 3.08 -0.14 -1.96 114.38 116.75 2wb1 h ARG 288 Ca -0.00 -0.50 -0.09 0.00 0.07 0.00 0.00 59.98 59.46 2wb1 h ARG 288 Cb 0.23 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2wb1 h ARG 288 CO 0.01 1.12 -0.44 0.82 -1.07 0.00 0.00 179.97 180.42 2wb1 h ILE 289 N 0.39 1.04 0.20 2.04 2.04 -1.16 -3.30 117.51 118.75 2wb1 h ILE 289 Ca -0.05 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 2wb1 h ILE 289 Cb 1.40 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2wb1 h ILE 289 CO 0.15 0.43 -0.10 -0.33 0.00 0.00 0.00 178.15 178.30 2wb1 h GLU 290 N 0.00 -0.26 -1.61 2.37 5.08 -0.54 -2.38 114.58 117.24 2wb1 h GLU 290 Ca -0.00 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 2wb1 h GLU 290 Cb 0.94 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 2wb1 h GLU 290 CO 0.06 0.03 0.20 1.17 -1.00 0.00 0.00 179.01 179.46 2wb1 n LYS 291 N -5.09 1.37 0.00 2.33 4.81 -0.76 -3.15 118.16 117.68 2wb1 n LYS 291 Ca -0.09 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.59 2wb1 n LYS 291 Cb 0.22 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.97 2wb1 n LYS 291 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wb1 n ALA 292 N 0.77 2.20 0.17 3.14 0.00 -1.20 -4.61 120.51 120.98 2wb1 n ALA 292 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 292 Cb 0.59 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 2wb1 n ALA 292 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wb1 h GLN 293 N 0.00 -0.37 0.00 0.00 4.20 -1.38 0.10 115.11 117.66 2wb1 h GLN 293 Ca 0.00 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2wb1 h GLN 293 Cb 0.17 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2wb1 h GLN 293 CO 0.00 -0.25 -0.86 1.96 -0.67 0.00 0.00 178.83 179.01 2wb1 h GLN 294 N -0.39 0.00 -0.83 1.46 4.20 -1.84 -2.70 115.11 115.02 2wb1 h GLN 294 Ca -0.03 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.75 2wb1 h GLN 294 Cb 0.31 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2wb1 h GLN 294 CO 0.04 0.15 0.50 0.82 -0.67 0.00 0.00 178.83 179.66 2wb1 h ILE 295 N 0.00 0.99 0.06 2.54 1.08 -1.75 -2.37 117.51 118.06 2wb1 h ILE 295 Ca -0.04 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2wb1 h ILE 295 Cb 1.21 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2wb1 h ILE 295 CO 0.02 0.16 -0.03 0.40 -0.69 0.00 0.00 178.15 178.01 2wb1 h ILE 296 N 0.88 1.11 -0.98 -0.67 2.04 -0.81 -2.85 117.51 116.24 2wb1 h ILE 296 Ca 0.38 -0.62 0.22 0.00 1.00 0.00 0.00 64.86 65.85 2wb1 h ILE 296 Cb 0.25 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 2wb1 h ILE 296 CO -0.20 0.15 0.63 0.44 0.00 0.00 0.00 178.15 179.17 2wb1 h ASP 297 N -0.36 0.51 -0.15 1.72 3.45 -1.12 0.27 116.42 120.74 2wb1 h ASP 297 Ca -0.01 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.52 2wb1 h ASP 297 Cb 0.32 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2wb1 h ASP 297 CO 0.01 0.16 0.00 2.29 -1.57 0.00 0.00 179.24 180.14 2wb1 n LYS 298 N -4.61 1.62 0.00 3.56 2.85 -0.93 -3.99 118.16 116.67 2wb1 n LYS 298 Ca 0.23 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 2wb1 n LYS 298 Cb 0.74 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 2wb1 n LYS 298 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wb1 n TYR 299 N 0.40 0.00 -3.50 5.58 4.02 -0.92 -4.89 117.16 117.85 2wb1 n TYR 299 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.56 2wb1 n TYR 299 Cb 0.31 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 2wb1 n TYR 299 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2wb1 s PHE 300 N -1.82 3.22 -1.36 -0.72 5.36 0.90 -4.51 117.98 119.05 2wb1 s PHE 300 Ca 0.00 -0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 55.76 2wb1 s PHE 300 Cb 0.00 -2.52 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 2wb1 s PHE 300 CO 0.00 -0.36 0.43 1.28 -1.46 0.00 0.00 175.22 175.11 2wb1 n LEU 301 N 5.18 -1.77 0.30 6.12 4.77 -1.26 -4.82 117.00 125.51 2wb1 n LEU 301 Ca -0.12 -1.11 0.18 0.00 -0.03 0.00 0.00 56.01 54.93 2wb1 n LEU 301 Cb 0.50 -2.03 0.89 0.00 -2.33 0.00 0.00 43.42 40.45 2wb1 n LEU 301 CO 0.37 0.50 1.06 -0.65 -1.33 0.00 0.00 177.39 177.35 2wb1 h PRO 302 N -1.95 0.00 0.00 3.23 0.11 -1.79 -1.94 132.00 129.65 2wb1 h PRO 302 Ca -0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.45 2wb1 h PRO 302 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2wb1 h PRO 302 CO 0.60 0.04 0.24 1.12 -0.21 0.00 0.00 178.00 179.79 2wb1 h HIS 303 N 0.00 0.00 0.00 0.65 2.07 -1.87 -3.14 115.15 112.86 2wb1 h HIS 303 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2wb1 h HIS 303 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2wb1 h HIS 303 CO 0.00 0.00 -0.47 1.28 -3.07 0.00 0.00 177.93 175.67 2wb1 n LEU 304 N -2.66 0.95 -4.17 6.12 4.77 -0.73 -0.56 117.00 120.72 2wb1 n LEU 304 Ca -0.02 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2wb1 n LEU 304 Cb 0.28 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 2wb1 n LEU 304 CO 0.12 -0.40 -0.42 -0.83 -1.33 0.00 0.00 177.39 174.54 2wb1 s GLY 305 N -3.88 0.83 -0.01 -0.72 0.00 -1.19 -4.94 107.32 97.41 2wb1 s GLY 305 Ca -0.14 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2wb1 s GLY 305 CO 0.20 -1.23 0.00 2.41 0.00 0.00 0.00 173.10 174.49 2wb1 n THR 306 N 0.64 0.08 -3.29 0.90 -1.04 -1.26 -4.38 114.28 105.95 2wb1 n THR 306 Ca -0.17 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 2wb1 n THR 306 Cb 0.57 -0.92 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 2wb1 n THR 306 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2wb1 s SER 307 N -3.26 5.35 0.27 8.00 1.04 -1.26 -4.03 113.70 119.81 2wb1 s SER 307 Ca -0.01 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 2wb1 s SER 307 Cb 0.00 -0.60 0.55 0.00 0.10 0.00 0.00 66.02 66.07 2wb1 s SER 307 CO 0.05 -0.71 1.77 0.00 0.98 0.00 0.00 173.24 175.32 2wb1 h ALA 308 N 0.83 1.33 0.00 5.32 0.00 -1.96 -2.89 119.26 121.89 2wb1 h ALA 308 Ca -0.41 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wb1 h ALA 308 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wb1 h ALA 308 CO 0.51 -0.06 -0.00 -0.25 0.00 0.00 0.00 179.25 179.45 2wb1 n ASP 309 N -4.84 3.74 0.00 0.00 9.92 -1.26 -2.44 116.55 121.67 2wb1 n ASP 309 Ca 0.18 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 2wb1 n ASP 309 Cb 0.44 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 2wb1 n ASP 309 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2wb1 n ASP 310 N 1.69 0.00 -0.12 -2.24 8.00 -1.09 -4.98 116.55 117.81 2wb1 n ASP 310 Ca 0.01 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.43 2wb1 n ASP 310 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 2wb1 n ASP 310 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2wb1 h ARG 311 N 0.00 -0.26 -0.62 -1.24 3.08 -1.66 -0.94 114.38 112.74 2wb1 h ARG 311 Ca 0.00 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.23 2wb1 h ARG 311 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2wb1 h ARG 311 CO 0.00 -0.17 0.44 0.00 -1.07 0.00 0.00 179.97 179.16 2wb1 h ARG 312 N -0.27 0.09 0.00 0.04 3.08 -1.84 -2.13 114.38 113.35 2wb1 h ARG 312 Ca 0.17 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.03 2wb1 h ARG 312 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2wb1 h ARG 312 CO -0.55 0.06 -0.87 0.87 -1.07 0.00 0.00 179.97 178.42 2wb1 h LYS 313 N 0.09 0.00 -0.32 0.04 1.57 -1.56 -2.95 116.57 113.45 2wb1 h LYS 313 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2wb1 h LYS 313 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2wb1 h LYS 313 CO -0.03 0.87 0.00 0.36 -0.57 0.00 0.00 179.45 180.08 2wb1 n LYS 314 N -3.50 2.06 -0.02 3.15 2.85 -0.97 -3.78 118.16 117.94 2wb1 n LYS 314 Ca -0.00 -1.61 -0.16 0.00 -1.05 0.00 0.00 58.31 55.48 2wb1 n LYS 314 Cb 0.83 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.69 2wb1 n LYS 314 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wb1 h ALA 315 N 4.14 0.17 0.00 0.58 0.00 -1.21 -3.28 119.26 119.65 2wb1 h ALA 315 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2wb1 h ALA 315 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wb1 h ALA 315 CO 0.00 0.38 -0.23 1.88 0.00 0.00 0.00 179.25 181.28 2wb1 h TYR 316 N 0.07 0.00 -0.18 0.00 -1.99 -1.65 -2.69 116.97 110.53 2wb1 h TYR 316 Ca -0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 2wb1 h TYR 316 Cb 1.20 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 2wb1 h TYR 316 CO 0.12 0.23 -0.09 -0.92 -0.00 0.00 0.00 178.16 177.50 2wb1 h TYR 317 N 0.00 0.44 -0.62 4.88 3.20 -1.71 0.24 116.97 123.40 2wb1 h TYR 317 Ca -0.00 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2wb1 h TYR 317 Cb 0.49 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2wb1 h TYR 317 CO 0.00 0.69 0.37 1.25 -1.64 0.00 0.00 178.16 178.84 2wb1 h LEU 318 N 0.05 0.60 -1.34 2.82 6.46 -1.59 0.53 115.31 122.85 2wb1 h LEU 318 Ca 0.04 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2wb1 h LEU 318 Cb 0.58 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2wb1 h LEU 318 CO 0.03 0.42 0.41 0.00 -0.62 0.00 0.00 178.44 178.67 2wb1 h ALA 319 N 1.28 1.52 -0.09 1.25 0.00 -1.26 -1.16 119.26 120.79 2wb1 h ALA 319 Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2wb1 h ALA 319 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2wb1 h ALA 319 CO -0.11 0.44 -0.31 -0.92 0.00 0.00 0.00 179.25 178.35 2wb1 h TYR 320 N 0.87 0.48 -0.07 0.00 5.03 0.50 -2.64 116.97 121.14 2wb1 h TYR 320 Ca 0.23 -0.20 0.02 0.00 2.58 0.00 0.00 58.73 61.36 2wb1 h TYR 320 Cb -0.07 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 2wb1 h TYR 320 CO 0.00 0.92 0.06 0.00 -1.32 0.00 0.00 178.16 177.82 2wb1 h ALA 321 N 0.47 2.00 -0.11 1.82 0.00 0.25 -0.83 119.26 122.86 2wb1 h ALA 321 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wb1 h ALA 321 Cb 0.94 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wb1 h ALA 321 CO 0.07 -0.09 -0.18 0.82 0.00 0.00 0.00 179.25 179.86 2wb1 h ILE 322 N 0.00 1.38 0.00 0.00 1.08 -1.21 -2.99 117.51 115.77 2wb1 h ILE 322 Ca 0.03 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.07 2wb1 h ILE 322 Cb 0.14 2.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 2wb1 h ILE 322 CO -0.00 0.41 0.00 -1.54 -0.69 0.00 0.00 178.15 176.33 2wb1 n SER 323 N -4.55 0.00 -0.04 1.72 3.41 -0.34 -0.14 113.62 113.67 2wb1 n SER 323 Ca -0.07 -0.21 -0.01 0.00 -0.26 0.00 0.00 58.87 58.32 2wb1 n SER 323 Cb 0.39 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 2wb1 n SER 323 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wb1 n LYS 324 N -0.69 1.21 -0.02 4.33 4.76 -1.06 -4.04 118.16 122.66 2wb1 n LYS 324 Ca 0.01 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.18 2wb1 n LYS 324 Cb 0.01 -1.36 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 2wb1 n LYS 324 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wb1 n VAL 325 N -2.32 1.73 0.24 -0.18 0.31 0.80 -2.77 118.33 116.14 2wb1 n VAL 325 Ca -0.15 -0.58 0.08 0.00 -0.01 0.00 0.00 64.34 63.69 2wb1 n VAL 325 Cb 0.73 -1.75 0.60 0.00 -0.91 0.00 0.00 33.84 32.51 2wb1 n VAL 325 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2wb1 h ILE 326 N -0.07 0.89 0.00 2.52 3.07 -1.60 0.85 117.51 123.16 2wb1 h ILE 326 Ca -0.43 -0.62 -0.05 0.00 1.55 0.00 0.00 64.86 65.31 2wb1 h ILE 326 Cb 1.94 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 39.84 2wb1 h ILE 326 CO 0.04 0.16 -0.26 -0.08 -1.05 0.00 0.00 178.15 176.96 2wb1 h GLU 327 N 0.00 0.00 0.03 0.16 4.81 -1.70 -2.67 114.58 115.21 2wb1 h GLU 327 Ca -0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2wb1 h GLU 327 Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2wb1 h GLU 327 CO 0.02 0.26 -1.78 -0.11 -0.73 0.00 0.00 179.01 176.67 2wb1 n LEU 328 N -3.87 1.32 0.07 1.64 7.94 -0.43 -3.08 117.00 120.59 2wb1 n LEU 328 Ca -0.02 0.37 -0.13 0.00 -1.11 0.00 0.00 56.01 55.12 2wb1 n LEU 328 Cb 0.34 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 44.08 2wb1 n LEU 328 CO 0.35 0.51 0.63 0.22 -1.11 0.00 0.00 177.39 177.99 2wb1 h TYR 329 N 0.02 -0.96 -3.89 1.96 3.20 -0.81 -3.39 116.97 113.10 2wb1 h TYR 329 Ca -0.32 0.03 -0.51 0.00 3.14 0.00 0.00 58.73 61.07 2wb1 h TYR 329 Cb 2.02 0.42 0.05 0.00 1.54 0.00 0.00 36.73 40.76 2wb1 h TYR 329 CO 0.02 -0.44 0.54 -1.17 -1.64 0.00 0.00 178.16 175.47 2wb1 s LEU 330 N -10.34 4.35 0.00 2.82 0.20 -1.02 -4.90 118.68 109.79 2wb1 s LEU 330 Ca -0.16 2.43 -0.03 0.00 0.69 0.00 0.00 54.13 57.06 2wb1 s LEU 330 Cb 0.09 -3.82 -0.16 0.00 -0.43 0.00 0.00 46.19 41.87 2wb1 s LEU 330 CO 0.65 -0.51 2.34 0.61 -0.29 0.00 0.00 176.35 179.15 2wb1 n GLY 331 N 0.81 2.19 0.09 7.98 0.00 -1.26 -4.18 105.19 110.82 2wb1 n GLY 331 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2wb1 n GLY 331 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 n ARG 332 N 2.66 1.17 -0.05 1.61 5.12 -1.19 -4.84 116.66 121.13 2wb1 n ARG 332 Ca 0.25 -0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 56.09 2wb1 n ARG 332 Cb 0.55 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.38 2wb1 n ARG 332 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wb1 n ARG 333 N -2.65 0.37 -0.21 5.56 1.74 -1.18 -4.67 116.66 115.63 2wb1 n ARG 333 Ca -0.28 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2wb1 n ARG 333 Cb 1.06 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 2wb1 n ARG 333 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wb1 n GLU 334 N -4.15 -0.15 -1.32 5.56 2.13 -1.26 -5.01 120.64 116.44 2wb1 n GLU 334 Ca -0.11 0.26 -0.38 0.00 0.66 0.00 0.00 57.16 57.58 2wb1 n GLU 334 Cb 0.38 -0.12 0.03 0.00 0.27 0.00 0.00 31.44 32.00 2wb1 n GLU 334 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wb1 n PRO 335 N -0.31 0.22 -2.06 5.31 -0.02 -1.26 -4.90 135.00 131.99 2wb1 n PRO 335 Ca 0.00 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 2wb1 n PRO 335 Cb 0.00 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 2wb1 n PRO 335 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wb1 s ASP 336 N -1.11 6.70 -0.59 2.55 1.11 -1.12 -4.98 116.67 119.24 2wb1 s ASP 336 Ca 0.61 2.71 -0.20 0.00 0.18 0.00 0.00 52.55 55.86 2wb1 s ASP 336 Cb -0.45 -2.64 0.09 0.00 1.07 0.00 0.00 42.92 40.99 2wb1 s ASP 336 CO 0.62 -0.62 0.75 -0.62 1.18 0.00 0.00 175.17 176.47 2wb1 s ASP 337 N -0.15 6.19 -0.14 0.27 -1.08 -1.26 -4.92 116.67 115.58 2wb1 s ASP 337 Ca 0.53 -1.27 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 2wb1 s ASP 337 Cb -0.41 -2.32 0.35 0.00 -1.46 0.00 0.00 42.92 39.08 2wb1 s ASP 337 CO 0.50 -1.15 1.19 2.29 0.52 0.00 0.00 175.17 178.52 2wb1 n LYS 338 N 6.59 2.35 -0.00 4.34 2.85 -1.26 -3.20 118.16 129.83 2wb1 n LYS 338 Ca -0.08 -1.41 0.02 0.00 -1.05 0.00 0.00 58.31 55.79 2wb1 n LYS 338 Cb 0.43 -1.74 -0.02 0.00 -0.65 0.00 0.00 35.03 33.05 2wb1 n LYS 338 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wb1 n ASP 339 N 0.10 3.97 -4.77 -5.58 10.43 -1.26 -4.95 116.55 114.49 2wb1 n ASP 339 Ca 0.18 -0.04 -0.41 0.00 2.57 0.00 0.00 54.79 57.08 2wb1 n ASP 339 Cb 0.81 1.14 -0.01 0.00 1.84 0.00 0.00 41.12 44.89 2wb1 n ASP 339 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 2wb1 s HIS 340 N -2.16 2.75 -2.00 1.24 2.46 -1.20 -4.92 115.29 111.47 2wb1 s HIS 340 Ca -0.01 1.07 0.19 0.00 0.47 0.00 0.00 55.06 56.77 2wb1 s HIS 340 Cb 0.02 -3.97 1.12 0.00 -0.13 0.00 0.00 32.58 29.62 2wb1 s HIS 340 CO 0.13 -2.98 1.63 0.66 -2.47 0.00 0.00 174.74 171.71 2wb1 n TYR 341 N 1.25 0.00 0.18 3.88 4.02 -1.26 -1.61 117.16 123.62 2wb1 n TYR 341 Ca 0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.02 2wb1 n TYR 341 Cb 0.39 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.82 2wb1 n TYR 341 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wb1 h ALA 342 N 3.41 0.86 -0.76 -0.72 0.00 -1.91 -3.27 119.26 116.86 2wb1 h ALA 342 Ca 0.00 -0.13 -0.47 0.00 0.00 0.00 0.00 54.91 54.30 2wb1 h ALA 342 Cb 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.52 2wb1 h ALA 342 CO 0.00 0.18 0.24 0.09 0.00 0.00 0.00 179.25 179.75 2wb1 n ASN 343 N -3.08 4.75 -3.87 0.00 3.02 -0.63 -4.95 115.26 110.50 2wb1 n ASN 343 Ca 0.03 -3.75 -0.16 0.00 -0.03 0.00 0.00 54.58 50.67 2wb1 n ASN 343 Cb 0.59 -0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 38.87 2wb1 n ASN 343 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wb1 s LYS 344 N -3.50 0.35 -0.16 3.52 2.47 -1.23 -1.81 119.74 119.38 2wb1 s LYS 344 Ca 0.55 -0.02 -0.00 0.00 -1.56 0.00 0.00 55.97 54.93 2wb1 s LYS 344 Cb 0.46 -0.44 0.04 0.00 -1.46 0.00 0.00 37.83 36.42 2wb1 s LYS 344 CO 0.03 -0.05 -0.09 0.50 0.16 0.00 0.00 175.35 175.91 2wb1 s ARG 345 N 0.57 1.75 -0.20 4.03 6.06 -0.03 -4.52 118.95 126.60 2wb1 s ARG 345 Ca -0.06 -0.55 -0.22 0.00 -2.50 0.00 0.00 55.73 52.40 2wb1 s ARG 345 Cb -0.09 -2.05 -0.02 0.00 0.06 0.00 0.00 34.95 32.86 2wb1 s ARG 345 CO -0.01 -0.36 0.70 -0.51 -2.50 0.00 0.00 175.30 172.62 2wb1 s LEU 346 N 1.56 4.13 -0.74 -0.88 1.02 0.22 -1.39 118.68 122.60 2wb1 s LEU 346 Ca 0.02 0.92 -0.16 0.00 0.02 0.00 0.00 54.13 54.93 2wb1 s LEU 346 Cb -0.15 -3.00 0.18 0.00 0.02 0.00 0.00 46.19 43.24 2wb1 s LEU 346 CO -0.08 -0.35 0.74 -0.13 0.02 0.00 0.00 176.35 176.55 2wb1 s ARG 347 N 2.17 3.40 1.07 1.70 1.81 0.19 -4.54 118.95 124.74 2wb1 s ARG 347 Ca 0.31 -2.08 -0.13 0.00 -1.72 0.00 0.00 55.73 52.11 2wb1 s ARG 347 Cb -0.16 -4.43 0.23 0.00 -0.45 0.00 0.00 34.95 30.14 2wb1 s ARG 347 CO 0.10 -1.38 1.07 -0.51 -0.68 0.00 0.00 175.30 173.90 2wb1 s LEU 348 N 1.07 1.24 0.17 2.53 1.43 -1.26 -2.86 118.68 120.99 2wb1 s LEU 348 Ca 0.15 1.20 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 2wb1 s LEU 348 Cb -0.16 -3.25 0.09 0.00 0.03 0.00 0.00 46.19 42.90 2wb1 s LEU 348 CO -0.04 -3.54 1.63 0.00 0.23 0.00 0.00 176.35 174.62 2wb1 h ALA 349 N -2.18 0.07 -1.87 4.21 0.00 -1.87 -3.17 119.26 114.45 2wb1 h ALA 349 Ca -0.56 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wb1 h ALA 349 Cb 1.33 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2wb1 h ALA 349 CO 0.55 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.63 2wb1 n GLY 350 N -1.38 -3.30 1.87 0.00 0.00 -1.26 -0.05 105.19 101.08 2wb1 n GLY 350 Ca 0.02 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 2wb1 n GLY 350 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wb1 n ASP 351 N -1.58 3.87 0.00 1.61 3.85 -1.22 0.23 116.55 123.31 2wb1 n ASP 351 Ca 0.00 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 51.96 2wb1 n ASP 351 Cb 0.00 -0.93 0.00 0.00 -1.35 0.00 0.00 41.12 38.84 2wb1 n ASP 351 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2wb1 n LEU 352 N 2.11 0.00 0.10 -2.12 7.94 -0.80 -4.66 117.00 119.58 2wb1 n LEU 352 Ca 0.15 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.17 2wb1 n LEU 352 Cb 0.51 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.62 2wb1 n LEU 352 CO 0.07 0.00 0.40 0.15 -1.11 0.00 0.00 177.39 176.90 2wb1 h PHE 353 N 0.00 0.00 0.05 1.96 3.57 0.35 -3.25 116.94 119.61 2wb1 h PHE 353 Ca 0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2wb1 h PHE 353 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2wb1 h PHE 353 CO 0.00 0.00 -1.12 0.00 -2.23 0.00 0.00 178.31 174.96 2wb1 h ALA 354 N 2.32 0.28 -0.15 2.41 0.00 -1.25 -2.68 119.26 120.18 2wb1 h ALA 354 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 2wb1 h ALA 354 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wb1 h ALA 354 CO 0.00 1.17 -0.26 0.77 0.00 0.00 0.00 179.25 180.92 2wb1 h SER 355 N 0.03 0.49 -0.19 0.00 0.02 -1.83 -2.14 113.55 109.92 2wb1 h SER 355 Ca -0.07 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.37 2wb1 h SER 355 Cb 1.85 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 2wb1 h SER 355 CO 0.15 0.94 0.02 0.25 -1.14 0.00 0.00 176.83 177.05 2wb1 h LEU 356 N 0.05 -0.03 -0.39 5.07 5.85 -1.64 -2.21 115.31 122.02 2wb1 h LEU 356 Ca 0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2wb1 h LEU 356 Cb 0.85 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2wb1 h LEU 356 CO 0.06 0.01 0.20 0.15 -0.34 0.00 0.00 178.44 178.52 2wb1 h PHE 357 N 0.09 0.55 -0.26 1.25 3.04 -1.53 -2.19 116.94 117.90 2wb1 h PHE 357 Ca 0.09 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.07 2wb1 h PHE 357 Cb 0.09 -0.17 -0.08 0.00 2.56 0.00 0.00 35.95 38.35 2wb1 h PHE 357 CO -0.15 0.45 -0.41 -0.09 -2.02 0.00 0.00 178.31 176.09 2wb1 h ARG 358 N 0.49 -0.39 -0.42 1.11 2.43 -0.79 -0.13 114.38 116.68 2wb1 h ARG 358 Ca 0.13 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2wb1 h ARG 358 Cb 0.10 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2wb1 h ARG 358 CO -0.02 -0.26 0.04 -0.24 -1.51 0.00 0.00 179.97 177.99 2wb1 h VAL 359 N -0.40 1.25 -0.86 0.20 3.04 -1.47 -2.40 116.25 115.60 2wb1 h VAL 359 Ca 0.11 -0.93 0.21 0.00 -1.01 0.00 0.00 66.70 65.07 2wb1 h VAL 359 Cb 0.60 1.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.86 2wb1 h VAL 359 CO -0.47 0.32 0.59 0.00 -1.01 0.00 0.00 177.57 177.00 2wb1 h ALA 360 N 0.92 2.37 0.00 3.17 0.00 -0.65 0.10 119.26 125.18 2wb1 h ALA 360 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wb1 h ALA 360 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wb1 h ALA 360 CO 0.01 -0.64 -0.97 0.34 0.00 0.00 0.00 179.25 178.00 2wb1 n PHE 361 N -4.44 0.59 -0.06 0.00 -0.00 -0.15 -3.47 117.46 109.94 2wb1 n PHE 361 Ca 0.18 0.17 -0.14 0.00 -0.00 0.00 0.00 57.45 57.67 2wb1 n PHE 361 Cb 0.74 -0.70 -0.06 0.00 -0.00 0.00 0.00 39.48 39.46 2wb1 n PHE 361 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2wb1 h LYS 362 N 0.00 0.49 0.00 -4.13 1.63 -0.29 -2.29 116.57 111.99 2wb1 h LYS 362 Ca 0.00 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2wb1 h LYS 362 Cb 0.85 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2wb1 h LYS 362 CO 0.00 0.88 -0.06 0.00 -3.45 0.00 0.00 179.45 176.82 2wb1 h ALA 363 N 0.61 0.99 -0.14 5.00 0.00 -1.65 -0.62 119.26 123.44 2wb1 h ALA 363 Ca 0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2wb1 h ALA 363 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wb1 h ALA 363 CO 0.06 0.08 -0.74 0.35 0.00 0.00 0.00 179.25 178.99 2wb1 h PHE 364 N 0.00 0.91 -0.14 0.00 3.57 -1.57 -2.04 116.94 117.66 2wb1 h PHE 364 Ca -0.00 -0.39 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 2wb1 h PHE 364 Cb 0.74 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2wb1 h PHE 364 CO 0.00 1.20 -0.03 0.28 -2.23 0.00 0.00 178.31 177.53 2wb1 h VAL 365 N 0.47 1.29 -0.86 1.41 2.07 -1.22 -2.10 116.25 117.30 2wb1 h VAL 365 Ca -0.04 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.59 2wb1 h VAL 365 Cb 1.35 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 2wb1 h VAL 365 CO 0.15 0.29 0.51 0.50 0.02 0.00 0.00 177.57 179.03 2wb1 h LYS 366 N -0.03 0.83 0.00 1.57 3.64 -1.16 -0.81 116.57 120.60 2wb1 h LYS 366 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wb1 h LYS 366 Cb 0.46 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wb1 h LYS 366 CO 0.01 0.55 -0.03 0.22 -2.27 0.00 0.00 179.45 177.93 2wb1 h ASP 367 N 0.85 0.00 0.19 4.20 3.58 -1.35 -2.44 116.42 121.45 2wb1 h ASP 367 Ca 0.41 -0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.59 2wb1 h ASP 367 Cb 0.36 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.44 2wb1 h ASP 367 CO -0.24 0.00 -1.20 0.25 -2.88 0.00 0.00 179.24 175.17 2wb1 h LEU 368 N 0.00 0.73 0.22 2.28 5.85 -0.60 -1.33 115.31 122.46 2wb1 h LEU 368 Ca 0.00 -0.91 -0.01 0.00 0.84 0.00 0.00 57.88 57.80 2wb1 h LEU 368 Cb 0.93 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2wb1 h LEU 368 CO 0.00 1.58 -0.11 0.74 -0.34 0.00 0.00 178.44 180.31 2wb1 h THR 369 N -0.01 0.79 -0.20 1.05 2.02 -1.15 1.05 112.91 116.47 2wb1 h THR 369 Ca -0.20 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2wb1 h THR 369 Cb 1.93 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2wb1 h THR 369 CO 0.23 0.01 0.02 0.22 0.37 0.00 0.00 175.52 176.37 2wb1 h TYR 370 N -0.32 0.28 0.00 3.16 3.20 -1.57 0.43 116.97 122.15 2wb1 h TYR 370 Ca -0.03 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 2wb1 h TYR 370 Cb 0.25 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2wb1 h TYR 370 CO -0.06 0.28 -0.61 0.37 -1.64 0.00 0.00 178.16 176.50 2wb1 h GLN 371 N 0.28 0.00 0.22 1.82 5.75 -0.51 -3.04 115.11 119.63 2wb1 h GLN 371 Ca 0.07 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.23 2wb1 h GLN 371 Cb 0.16 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.73 2wb1 h GLN 371 CO 0.00 0.61 -1.59 -0.07 -2.65 0.00 0.00 178.83 175.14 2wb1 h LEU 372 N 0.00 0.72 0.55 -2.39 3.38 0.16 -3.38 115.31 114.35 2wb1 h LEU 372 Ca -0.01 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 2wb1 h LEU 372 Cb 1.34 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2wb1 h LEU 372 CO 0.08 1.74 -0.27 -0.08 0.09 0.00 0.00 178.44 180.00 2wb1 h GLU 373 N 0.10 -0.72 -3.52 1.13 4.81 -0.95 -0.52 114.58 114.91 2wb1 h GLU 373 Ca -0.30 0.05 -0.74 0.00 -0.13 0.00 0.00 59.36 58.24 2wb1 h GLU 373 Cb 2.11 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 31.53 2wb1 h GLU 373 CO 0.22 -0.48 2.38 1.17 -0.73 0.00 0.00 179.01 181.57 2wb1 n LYS 374 N -5.08 3.53 0.11 1.92 3.00 -1.15 -3.96 118.16 116.54 2wb1 n LYS 374 Ca -0.09 -3.26 0.00 0.00 -0.00 0.00 0.00 58.31 54.95 2wb1 n LYS 374 Cb 0.29 -2.98 0.00 0.00 0.00 0.00 0.00 35.03 32.34 2wb1 n LYS 374 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2wb1 n SER 375 N 4.17 -2.04 -0.08 3.14 2.88 -1.20 -4.88 113.62 115.60 2wb1 n SER 375 Ca 0.46 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2wb1 n SER 375 Cb 0.35 2.13 0.00 0.00 -0.75 0.00 0.00 64.21 65.94 2wb1 n SER 375 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wb1 n LYS 376 N -3.13 0.61 0.00 -1.46 4.76 -0.21 -3.57 118.16 115.16 2wb1 n LYS 376 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wb1 n LYS 376 Cb 0.00 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2wb1 n LYS 376 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2wb1 n VAL 377 N -0.38 0.00 -3.92 -0.18 0.24 -1.26 -4.34 118.33 108.50 2wb1 n VAL 377 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 2wb1 n VAL 377 Cb 0.03 -0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 31.89 2wb1 n VAL 377 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wb1 s ARG 378 N -1.82 0.84 -1.16 7.34 0.52 -1.23 -5.09 118.95 118.34 2wb1 s ARG 378 Ca 0.00 -0.02 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 2wb1 s ARG 378 Cb 0.00 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 2wb1 s ARG 378 CO 0.00 -0.23 1.94 0.41 0.02 0.00 0.00 175.30 177.44 2wb1 n GLY 379 N 4.78 2.52 0.17 -3.53 0.00 -1.26 -4.29 105.19 103.58 2wb1 n GLY 379 Ca -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2wb1 n GLY 379 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wb1 n ARG 380 N 7.52 0.00 -0.12 1.61 0.63 -1.26 -5.18 116.66 119.86 2wb1 n ARG 380 Ca 0.49 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 2wb1 n ARG 380 Cb 0.43 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.34 2wb1 n ARG 380 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wb1 n LYS 381 N -1.13 0.14 -0.15 -0.14 5.02 -1.26 -5.04 118.16 115.60 2wb1 n LYS 381 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wb1 n LYS 381 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wb1 n LYS 381 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2wb1 n LEU 382 N 0.00 0.00 -4.56 -0.35 -0.00 -1.26 -5.10 117.00 105.73 2wb1 n LEU 382 Ca 0.00 -0.36 -0.17 0.00 -0.00 0.00 0.00 56.01 55.48 2wb1 n LEU 382 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2wb1 n LEU 382 CO 0.00 0.61 1.24 0.00 -0.00 0.00 0.00 177.39 179.24 2wb1 s ALA 383 N 0.00 0.91 0.35 1.47 0.00 -1.26 -4.78 121.76 118.44 2wb1 s ALA 383 Ca 0.00 -1.09 0.34 0.00 0.00 0.00 0.00 51.96 51.21 2wb1 s ALA 383 Cb 0.00 -4.59 1.63 0.00 0.00 0.00 0.00 23.12 20.16 2wb1 s ALA 383 CO 0.00 -5.79 2.10 -0.07 0.00 0.00 0.00 175.76 172.00 2wb1 h LEU 384 N 21.37 0.00 -0.39 0.00 3.38 -2.00 -1.24 115.31 136.43 2wb1 h LEU 384 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2wb1 h LEU 384 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2wb1 h LEU 384 CO 1.06 0.06 0.01 0.50 0.09 0.00 0.00 178.44 180.15 2wb1 h LYS 385 N 0.00 0.68 0.00 1.13 3.64 -1.93 -2.69 116.57 117.40 2wb1 h LYS 385 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2wb1 h LYS 385 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wb1 h LYS 385 CO 0.01 0.77 0.00 0.00 -2.27 0.00 0.00 179.45 177.96 2wb1 n ALA 386 N -2.39 2.28 -0.01 5.00 0.00 -0.47 -3.33 120.51 121.59 2wb1 n ALA 386 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 2wb1 n ALA 386 Cb 0.28 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2wb1 n ALA 386 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wb1 n LEU 387 N -1.18 0.00 -4.68 0.00 4.77 -1.20 -4.99 117.00 109.72 2wb1 n LEU 387 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 2wb1 n LEU 387 Cb 0.15 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2wb1 n LEU 387 CO 0.17 0.04 1.38 -0.69 -1.33 0.00 0.00 177.39 176.96 2wb1 s VAL 388 N -2.07 3.21 -0.56 4.08 1.01 -1.02 -4.89 120.40 120.17 2wb1 s VAL 388 Ca -0.01 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 2wb1 s VAL 388 Cb 0.01 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.19 2wb1 s VAL 388 CO 0.08 -0.02 0.57 -0.13 0.00 0.00 0.00 175.10 175.61 2wb1 s ARG 389 N 3.37 3.01 -0.18 2.72 0.52 -1.26 -4.96 118.95 122.17 2wb1 s ARG 389 Ca 0.76 -1.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.49 2wb1 s ARG 389 Cb -0.38 -4.28 0.51 0.00 0.52 0.00 0.00 34.95 31.31 2wb1 s ARG 389 CO 0.33 -1.40 1.36 -0.35 0.02 0.00 0.00 175.30 175.25 2wb1 n PRO 390 N 5.65 3.19 -0.03 3.54 -0.04 -1.26 -3.88 135.00 142.17 2wb1 n PRO 390 Ca -0.12 -2.00 -0.01 0.00 -0.04 0.00 0.00 63.50 61.32 2wb1 n PRO 390 Cb 0.41 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 2wb1 n PRO 390 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wb1 n ASP 391 N 0.22 2.73 -0.34 3.54 8.00 -1.26 -4.03 116.55 125.41 2wb1 n ASP 391 Ca 0.22 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.89 2wb1 n ASP 391 Cb 0.93 0.98 0.39 0.00 -0.02 0.00 0.00 41.12 43.40 2wb1 n ASP 391 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wb1 h ILE 392 N 0.00 0.58 0.01 0.53 1.08 -1.90 0.36 117.51 118.17 2wb1 h ILE 392 Ca -0.16 -0.20 -0.20 0.00 -0.39 0.00 0.00 64.86 63.90 2wb1 h ILE 392 Cb 1.18 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2wb1 h ILE 392 CO 0.01 0.11 -0.91 0.58 -0.69 0.00 0.00 178.15 177.25 2wb1 h VAL 393 N 0.60 1.50 0.00 1.67 2.07 -1.77 -3.24 116.25 117.08 2wb1 h VAL 393 Ca 0.61 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 2wb1 h VAL 393 Cb 1.18 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2wb1 h VAL 393 CO -0.41 0.78 -0.18 0.74 0.02 0.00 0.00 177.57 178.52 2wb1 h THR 394 N 0.11 0.21 -0.46 2.57 2.02 -0.58 -3.26 112.91 113.53 2wb1 h THR 394 Ca -0.05 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 2wb1 h THR 394 Cb 1.55 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2wb1 h THR 394 CO 0.14 0.07 -0.08 -0.33 0.37 0.00 0.00 175.52 175.69 2wb1 h GLU 395 N -1.00 0.82 0.00 6.66 4.39 -0.99 -2.47 114.58 121.99 2wb1 h GLU 395 Ca -0.01 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2wb1 h GLU 395 Cb 0.28 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wb1 h GLU 395 CO -0.01 0.88 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.50 2wb1 h ARG 396 N 0.74 0.00 0.00 2.33 2.43 -1.71 -0.72 114.38 117.45 2wb1 h ARG 396 Ca 0.13 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 2wb1 h ARG 396 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2wb1 h ARG 396 CO 0.04 0.12 -0.96 0.97 -1.51 0.00 0.00 179.97 178.63 2wb1 h ILE 397 N 0.00 1.29 0.05 1.20 2.10 -1.52 -3.26 117.51 117.38 2wb1 h ILE 397 Ca -0.00 -2.90 -0.36 0.00 1.08 0.00 0.00 64.86 62.68 2wb1 h ILE 397 Cb 0.67 2.62 -0.04 0.00 -1.09 0.00 0.00 36.82 38.98 2wb1 h ILE 397 CO 0.02 0.74 -2.15 -2.11 -1.08 0.00 0.00 178.15 173.57 2wb1 n ARG 398 N -3.25 0.70 -0.02 2.19 1.85 -0.96 -3.93 116.66 113.24 2wb1 n ARG 398 Ca -0.02 0.20 0.09 0.00 -1.00 0.00 0.00 57.85 57.13 2wb1 n ARG 398 Cb 0.88 -1.64 0.49 0.00 -1.05 0.00 0.00 32.46 31.14 2wb1 n ARG 398 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wb1 n HIS 399 N -3.27 0.05 -2.55 2.89 8.25 -0.29 -0.25 115.22 120.05 2wb1 n HIS 399 Ca -0.34 -0.03 -0.15 0.00 -0.26 0.00 0.00 57.72 56.94 2wb1 n HIS 399 Cb 1.04 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.17 2wb1 n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n ALA 400 N -0.51 4.04 0.00 -1.41 0.00 -1.23 -3.83 120.51 117.56 2wb1 n ALA 400 Ca 0.14 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2wb1 n ALA 400 Cb 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2wb1 n ALA 400 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wb1 n LEU 401 N -0.35 0.00 0.00 0.00 7.94 -0.85 -3.68 117.00 120.06 2wb1 n LEU 401 Ca 0.23 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.06 2wb1 n LEU 401 Cb 0.78 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.61 2wb1 n LEU 401 CO 0.28 0.00 -0.38 0.00 -1.11 0.00 0.00 177.39 176.17 2wb1 h ALA 402 N 0.00 0.71 -0.00 1.96 0.00 -0.87 -3.38 119.26 117.67 2wb1 h ALA 402 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2wb1 h ALA 402 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wb1 h ALA 402 CO 0.00 1.41 -0.00 -2.37 0.00 0.00 0.00 179.25 178.29 2wb1 n THR 403 N -3.05 0.00 -2.72 0.00 5.66 -1.25 -4.86 114.28 108.05 2wb1 n THR 403 Ca -0.13 -0.01 -0.07 0.00 -3.05 0.00 0.00 64.05 60.78 2wb1 n THR 403 Cb 0.99 -0.44 0.03 0.00 -1.55 0.00 0.00 70.33 69.36 2wb1 n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wb1 n GLY 404 N 1.01 0.34 1.43 1.09 0.00 -1.20 -4.61 105.19 103.26 2wb1 n GLY 404 Ca 0.24 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 46.11 2wb1 n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wb1 n ASN 405 N -0.69 -8.57 0.00 1.61 2.85 -1.24 -0.93 115.26 108.29 2wb1 n ASN 405 Ca -0.04 0.84 0.00 0.00 -0.11 0.00 0.00 54.58 55.28 2wb1 n ASN 405 Cb 0.53 -4.52 0.00 0.00 1.24 0.00 0.00 39.78 37.04 2wb1 n ASN 405 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 2wb1 n TRP 406 N -4.27 0.00 0.00 1.20 -0.00 -1.26 -4.65 117.44 108.46 2wb1 n TRP 406 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 2wb1 n TRP 406 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.97 2wb1 n TRP 406 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2wb1 n VAL 407 N 0.00 0.00 0.00 5.87 0.31 -1.26 -4.02 118.33 119.23 2wb1 n VAL 407 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wb1 n VAL 407 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wb1 n VAL 407 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wb1 n GLY 408 N 0.00 -0.29 0.54 2.92 0.00 -1.26 -4.77 105.19 102.33 2wb1 n GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 409 N -1.28 3.03 3.94 -0.02 0.00 -1.26 -5.05 105.19 104.56 2wb1 n GLY 409 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wb1 n GLY 409 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wb1 s ARG 410 N -0.16 0.47 0.23 1.61 3.00 -1.26 -5.03 118.95 117.82 2wb1 s ARG 410 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 55.73 55.12 2wb1 s ARG 410 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 34.95 33.06 2wb1 s ARG 410 CO 0.00 -2.50 0.28 -0.08 0.00 0.00 0.00 175.30 173.01 2wb1 s THR 411 N -3.89 0.00 -1.09 0.02 -1.32 -1.26 -4.08 115.64 104.01 2wb1 s THR 411 Ca 0.76 -1.77 -0.02 0.00 -1.21 0.00 0.00 61.69 59.45 2wb1 s THR 411 Cb -0.03 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2wb1 s THR 411 CO 0.53 0.00 0.92 0.61 -2.21 0.00 0.00 174.62 174.47 2wb1 n GLY 412 N -0.35 -0.29 0.09 6.08 0.00 -0.10 -4.96 105.19 105.66 2wb1 n GLY 412 Ca 0.01 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wb1 n GLY 412 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 413 N -4.02 1.48 -3.55 1.61 0.31 -0.70 -4.86 118.33 108.60 2wb1 n VAL 413 Ca -0.18 0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.80 2wb1 n VAL 413 Cb 0.62 -2.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.22 2wb1 n VAL 413 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wb1 s SER 414 N -6.30 5.91 0.51 4.52 1.04 -1.26 -1.79 113.70 116.34 2wb1 s SER 414 Ca -0.25 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.52 2wb1 s SER 414 Cb 0.05 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 64.08 2wb1 s SER 414 CO 0.39 -0.33 0.28 0.00 0.98 0.00 0.00 173.24 174.57 2wb1 s GLN 415 N 1.65 2.25 -0.12 4.02 -2.07 -0.66 -3.25 119.66 121.48 2wb1 s GLN 415 Ca 0.05 -2.03 -0.29 0.00 -1.82 0.00 0.00 55.36 51.26 2wb1 s GLN 415 Cb -0.18 -1.98 -0.02 0.00 -1.09 0.00 0.00 33.01 29.73 2wb1 s GLN 415 CO 0.09 -0.45 1.28 -1.17 -1.32 0.00 0.00 175.29 173.72 2wb1 s LEU 416 N -4.12 4.22 0.42 2.60 2.96 -1.26 -1.21 118.68 122.30 2wb1 s LEU 416 Ca 0.31 1.78 -0.24 0.00 -0.22 0.00 0.00 54.13 55.76 2wb1 s LEU 416 Cb -0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 2wb1 s LEU 416 CO 0.18 -0.72 0.98 -0.11 -1.32 0.00 0.00 176.35 175.36 2wb1 n LEU 417 N 6.18 2.46 -4.27 -0.68 7.94 -1.26 -4.89 117.00 122.47 2wb1 n LEU 417 Ca 0.13 1.02 -0.44 0.00 -1.11 0.00 0.00 56.01 55.62 2wb1 n LEU 417 Cb 0.45 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 2wb1 n LEU 417 CO 0.56 -1.58 0.41 -0.62 -1.11 0.00 0.00 177.39 175.05 2wb1 s ASP 418 N -0.76 6.51 -0.18 1.96 2.15 -1.26 -4.93 116.67 120.16 2wb1 s ASP 418 Ca 0.63 -2.96 0.10 0.00 0.43 0.00 0.00 52.55 50.75 2wb1 s ASP 418 Cb -0.56 -2.12 0.59 0.00 -0.30 0.00 0.00 42.92 40.53 2wb1 s ASP 418 CO 0.57 -0.46 1.43 0.54 -0.17 0.00 0.00 175.17 177.08 2wb1 n ARG 419 N 3.54 3.72 -2.25 4.34 3.00 -1.26 -2.33 116.66 125.42 2wb1 n ARG 419 Ca 0.15 -2.29 -0.33 0.00 -0.01 0.00 0.00 57.85 55.37 2wb1 n ARG 419 Cb 0.43 -2.05 -0.04 0.00 0.00 0.00 0.00 32.46 30.80 2wb1 n ARG 419 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2wb1 s THR 420 N -2.29 3.73 0.31 0.55 2.01 -1.26 -4.70 115.64 113.99 2wb1 s THR 420 Ca 0.40 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2wb1 s THR 420 Cb 0.31 -4.74 0.00 0.00 0.01 0.00 0.00 72.50 68.07 2wb1 s THR 420 CO 0.11 -1.36 0.00 -0.46 -0.69 0.00 0.00 174.62 172.23 2wb1 n ASN 421 N 12.21 -3.86 0.21 3.53 0.23 -1.26 -4.49 115.26 121.83 2wb1 n ASN 421 Ca 0.45 0.74 0.10 0.00 -0.53 0.00 0.00 54.58 55.34 2wb1 n ASN 421 Cb 0.47 -2.39 0.34 0.00 -2.08 0.00 0.00 39.78 36.11 2wb1 n ASN 421 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2wb1 h TRP 422 N -0.62 0.00 -0.11 -2.53 7.01 -1.72 -2.92 115.95 115.06 2wb1 h TRP 422 Ca -0.09 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.75 2wb1 h TRP 422 Cb 0.66 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 2wb1 h TRP 422 CO 0.03 0.20 -0.60 1.25 -2.79 0.00 0.00 178.44 176.52 2wb1 h LEU 423 N 0.00 0.42 -1.53 0.65 5.85 -1.87 -3.26 115.31 115.56 2wb1 h LEU 423 Ca -0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2wb1 h LEU 423 Cb 0.90 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2wb1 h LEU 423 CO 0.03 0.92 0.19 -1.28 -0.34 0.00 0.00 178.44 177.95 2wb1 h SER 424 N 0.27 0.44 0.49 1.25 0.87 -1.72 -2.00 113.55 113.15 2wb1 h SER 424 Ca -0.01 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.23 2wb1 h SER 424 Cb 1.13 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2wb1 h SER 424 CO 0.10 0.37 -1.35 -0.03 -0.53 0.00 0.00 176.83 175.39 2wb1 h MET 425 N 0.50 0.37 -0.64 2.24 1.85 -1.56 -2.95 114.93 114.75 2wb1 h MET 425 Ca 0.13 -0.63 -0.01 0.00 -0.61 0.00 0.00 59.70 58.58 2wb1 h MET 425 Cb 0.04 0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 2wb1 h MET 425 CO -0.02 1.30 0.36 1.25 -0.40 0.00 0.00 176.91 179.39 2wb1 h LEU 426 N 0.10 0.79 -0.77 3.39 6.46 -1.48 -2.84 115.31 120.97 2wb1 h LEU 426 Ca -0.19 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 2wb1 h LEU 426 Cb 2.05 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 41.75 2wb1 h LEU 426 CO 0.23 0.65 0.18 -1.28 -0.62 0.00 0.00 178.44 177.60 2wb1 h SER 427 N 0.87 1.05 -0.47 1.25 0.87 -1.47 -3.20 113.55 112.45 2wb1 h SER 427 Ca 0.23 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2wb1 h SER 427 Cb 0.03 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 61.64 2wb1 h SER 427 CO -0.04 1.00 0.02 -0.74 -0.53 0.00 0.00 176.83 176.55 2wb1 h HIS 428 N 1.06 0.01 0.00 2.24 6.17 -1.31 0.39 115.15 123.71 2wb1 h HIS 428 Ca 0.22 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.34 2wb1 h HIS 428 Cb 0.35 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.35 2wb1 h HIS 428 CO 0.03 -0.08 0.00 1.28 0.71 0.00 0.00 177.93 179.87 2wb1 n LEU 429 N -5.19 0.00 -0.03 0.26 4.77 -1.18 -1.78 117.00 113.85 2wb1 n LEU 429 Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2wb1 n LEU 429 Cb 0.25 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2wb1 n LEU 429 CO 0.18 -0.17 0.21 0.54 -1.33 0.00 0.00 177.39 176.82 2wb1 n ARG 430 N -1.31 0.78 -1.77 3.23 1.74 0.42 -4.78 116.66 114.96 2wb1 n ARG 430 Ca 0.06 -0.43 -0.32 0.00 -0.77 0.00 0.00 57.85 56.39 2wb1 n ARG 430 Cb 0.12 -0.91 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 2wb1 n ARG 430 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wb1 s ARG 431 N -0.29 3.13 0.11 5.56 0.52 0.11 0.65 118.95 128.74 2wb1 s ARG 431 Ca 0.01 1.03 -0.00 0.00 -0.52 0.00 0.00 55.73 56.25 2wb1 s ARG 431 Cb 0.01 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 2wb1 s ARG 431 CO 0.02 -0.95 0.01 0.14 0.02 0.00 0.00 175.30 174.53 2wb1 s VAL 432 N -2.84 0.32 -0.01 3.52 -7.23 0.36 -3.93 120.40 110.59 2wb1 s VAL 432 Ca 0.60 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2wb1 s VAL 432 Cb -0.14 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 2wb1 s VAL 432 CO 0.48 -0.67 0.06 -0.63 -0.31 0.00 0.00 175.10 174.03 2wb1 s ILE 433 N -3.89 0.04 0.44 -0.62 1.01 0.15 -2.40 121.20 115.94 2wb1 s ILE 433 Ca 0.18 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 2wb1 s ILE 433 Cb 0.07 -0.21 -0.09 0.00 0.01 0.00 0.00 42.46 42.24 2wb1 s ILE 433 CO -0.02 -0.20 1.03 -0.94 0.00 0.00 0.00 174.94 174.81 2wb1 s SER 434 N -0.60 6.59 0.16 3.58 1.04 -0.90 0.24 113.70 123.81 2wb1 s SER 434 Ca -0.07 1.92 0.05 0.00 0.48 0.00 0.00 55.95 58.34 2wb1 s SER 434 Cb -0.04 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 2wb1 s SER 434 CO 0.00 -0.61 1.37 -1.28 0.98 0.00 0.00 173.24 173.71 2wb1 h SER 435 N 1.96 0.13 -3.69 7.02 0.87 -0.83 -3.44 113.55 115.57 2wb1 h SER 435 Ca -0.49 -0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 59.71 2wb1 h SER 435 Cb 1.21 -0.04 -0.29 0.00 -0.44 0.00 0.00 62.40 62.84 2wb1 h SER 435 CO 0.61 0.95 -0.72 -0.22 -0.53 0.00 0.00 176.83 176.92 2wb1 s LEU 436 N -7.20 1.83 0.00 2.23 1.98 -1.26 -4.98 118.68 111.27 2wb1 s LEU 436 Ca -0.01 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.24 2wb1 s LEU 436 Cb 0.10 -0.01 0.00 0.00 0.66 0.00 0.00 46.19 46.94 2wb1 s LEU 436 CO 0.82 -0.02 0.00 0.00 -1.89 0.00 0.00 176.35 175.25 2wb1 n ALA 437 N 3.28 0.00 -1.97 5.97 0.00 -1.26 -5.11 120.51 121.41 2wb1 n ALA 437 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2wb1 n ALA 437 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 2wb1 n ALA 437 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wb1 n ARG 438 N 0.00 -1.67 0.00 0.00 0.63 -1.26 -4.35 116.66 110.01 2wb1 n ARG 438 Ca 0.00 1.58 0.00 0.00 -0.92 0.00 0.00 57.85 58.51 2wb1 n ARG 438 Cb 0.00 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.17 2wb1 n ARG 438 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wb1 n GLY 439 N 0.49 0.84 2.97 5.14 0.00 -1.26 -4.95 105.19 108.42 2wb1 n GLY 439 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2wb1 n GLY 439 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 440 N 0.00 0.00 -0.50 1.61 1.13 -1.26 -4.72 117.38 113.63 2wb1 n GLN 440 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2wb1 n GLN 440 Cb 0.00 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 2wb1 n GLN 440 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2wb1 n PRO 441 N 0.89 0.92 -2.99 -1.09 -0.04 -1.26 -4.82 135.00 126.62 2wb1 n PRO 441 Ca 0.16 -1.10 -0.44 0.00 -0.04 0.00 0.00 63.50 62.07 2wb1 n PRO 441 Cb 0.21 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 2wb1 n PRO 441 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wb1 s ASN 442 N 4.79 6.62 0.00 3.54 0.02 -1.26 -4.57 114.94 124.08 2wb1 s ASN 442 Ca 0.33 -2.09 0.00 0.00 -1.02 0.00 0.00 52.86 50.08 2wb1 s ASN 442 Cb 0.08 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.98 2wb1 s ASN 442 CO 0.06 -1.00 0.00 0.49 0.02 0.00 0.00 177.10 176.67 2wb1 n PHE 443 N 6.20 0.00 0.09 2.20 3.01 -1.26 -4.47 117.46 123.22 2wb1 n PHE 443 Ca 0.21 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.54 2wb1 n PHE 443 Cb 0.48 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2wb1 n PHE 443 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wb1 h GLU 444 N 0.00 0.26 0.00 -1.08 4.57 -1.97 -3.34 114.58 113.02 2wb1 h GLU 444 Ca 0.00 -0.35 -0.16 0.00 -1.18 0.00 0.00 59.36 57.67 2wb1 h GLU 444 Cb 0.00 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2wb1 h GLU 444 CO 0.00 1.11 -1.63 0.00 -1.18 0.00 0.00 179.01 177.31 2wb1 n ALA 445 N -2.50 2.05 -0.11 2.92 0.00 -1.26 -4.49 120.51 117.12 2wb1 n ALA 445 Ca -0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 2wb1 n ALA 445 Cb 0.92 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 2wb1 n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 h ARG 446 N 0.00 0.50 -6.98 0.00 3.08 -1.78 -3.44 114.38 105.75 2wb1 h ARG 446 Ca -0.19 -0.09 -0.52 0.00 0.07 0.00 0.00 59.98 59.25 2wb1 h ARG 446 Cb 1.55 -0.08 0.08 0.00 0.08 0.00 0.00 29.97 31.60 2wb1 h ARG 446 CO 0.03 0.50 0.55 0.16 -1.07 0.00 0.00 179.97 180.15 2wb1 s ASP 447 N -5.78 6.14 0.17 7.04 -4.77 -1.26 -4.36 116.67 113.85 2wb1 s ASP 447 Ca -0.13 2.50 -0.33 0.00 -3.30 0.00 0.00 52.55 51.28 2wb1 s ASP 447 Cb 0.09 -2.62 -0.13 0.00 -1.09 0.00 0.00 42.92 39.16 2wb1 s ASP 447 CO 0.74 -0.95 1.61 -0.11 0.70 0.00 0.00 175.17 177.16 2wb1 n LEU 448 N -0.26 3.28 -4.81 2.11 0.00 -1.26 -4.98 117.00 111.07 2wb1 n LEU 448 Ca 0.06 1.08 -0.36 0.00 0.00 0.00 0.00 56.01 56.79 2wb1 n LEU 448 Cb 0.46 -1.46 -0.07 0.00 0.00 0.00 0.00 43.42 42.35 2wb1 n LEU 448 CO 0.52 -0.19 -0.22 -2.28 0.00 0.00 0.00 177.39 175.22 2wb1 s HIS 449 N 0.99 3.44 0.30 1.96 5.65 -1.26 -5.00 115.29 121.37 2wb1 s HIS 449 Ca 0.78 0.40 0.05 0.00 0.25 0.00 0.00 55.06 56.54 2wb1 s HIS 449 Cb -0.64 -1.88 0.76 0.00 -1.18 0.00 0.00 32.58 29.64 2wb1 s HIS 449 CO 0.37 0.64 1.71 0.78 -0.65 0.00 0.00 174.74 177.59 2wb1 h GLY 450 N 4.95 1.65 2.00 1.59 0.00 -1.95 -0.41 103.07 110.90 2wb1 h GLY 450 Ca -0.53 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2wb1 h GLY 450 CO 0.57 -0.24 -0.01 -0.91 0.00 0.00 0.00 176.54 175.96 2wb1 h THR 451 N 0.49 0.07 0.00 4.70 1.35 -1.94 -2.16 112.91 115.41 2wb1 h THR 451 Ca 0.58 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 2wb1 h THR 451 Cb 1.08 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2wb1 h THR 451 CO -0.49 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 174.78 2wb1 n GLN 452 N -3.18 0.27 -1.56 4.72 6.02 -0.16 -4.70 117.38 118.80 2wb1 n GLN 452 Ca -0.02 0.11 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 2wb1 n GLN 452 Cb 0.12 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.80 2wb1 n GLN 452 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 2wb1 n TRP 453 N -1.24 1.13 0.00 1.08 -0.00 -0.82 -0.73 117.44 116.86 2wb1 n TRP 453 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 2wb1 n TRP 453 Cb 0.11 -2.51 0.00 0.00 -0.00 0.00 0.00 31.31 28.92 2wb1 n TRP 453 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wb1 n GLY 454 N 6.66 1.80 0.08 5.87 0.00 -1.26 -4.96 105.19 113.38 2wb1 n GLY 454 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 2wb1 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 n ARG 455 N -0.92 0.47 -4.06 1.61 1.74 0.09 -4.44 116.66 111.15 2wb1 n ARG 455 Ca 0.00 0.45 -0.36 0.00 -0.77 0.00 0.00 57.85 57.17 2wb1 n ARG 455 Cb 0.00 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 2wb1 n ARG 455 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2wb1 s MET 456 N -2.41 3.26 0.32 5.56 -1.94 -1.01 0.16 119.30 123.24 2wb1 s MET 456 Ca -0.19 -0.26 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 2wb1 s MET 456 Cb 0.03 -3.03 -0.10 0.00 2.01 0.00 0.00 34.83 33.74 2wb1 s MET 456 CO 0.28 0.74 1.25 0.00 -0.01 0.00 0.00 175.02 177.28 2wb1 n PRO 458 N 0.89 1.63 -0.03 0.00 -0.04 -1.26 -4.25 135.00 131.94 2wb1 n PRO 458 Ca -0.00 -0.93 -0.05 0.00 -0.04 0.00 0.00 63.50 62.47 2wb1 n PRO 458 Cb 0.43 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2wb1 n PRO 458 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wb1 n PHE 459 N 0.15 0.00 -1.85 0.54 3.72 -1.26 -4.94 117.46 113.81 2wb1 n PHE 459 Ca 0.17 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 2wb1 n PHE 459 Cb 0.31 -0.22 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 2wb1 n PHE 459 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wb1 s GLU 460 N -2.11 1.94 -0.00 -1.08 2.02 -1.26 -4.48 118.70 113.73 2wb1 s GLU 460 Ca -0.08 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2wb1 s GLU 460 Cb 0.03 -5.08 -0.00 0.00 0.10 0.00 0.00 34.13 29.17 2wb1 s GLU 460 CO 0.12 -4.50 -0.04 0.99 0.02 0.00 0.00 175.26 171.85 2wb1 s THR 461 N 13.42 0.29 0.62 3.63 2.01 -1.26 -3.69 115.64 130.67 2wb1 s THR 461 Ca 0.76 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 2wb1 s THR 461 Cb -0.04 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 2wb1 s THR 461 CO 0.13 0.09 0.76 -0.81 -0.69 0.00 0.00 174.62 174.09 2wb1 n PRO 462 N 3.06 0.64 -2.50 4.92 -0.04 -1.26 -4.80 135.00 135.01 2wb1 n PRO 462 Ca -0.13 0.26 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2wb1 n PRO 462 Cb 0.58 -1.97 0.11 0.00 -0.04 0.00 0.00 33.50 32.18 2wb1 n PRO 462 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wb1 s GLU 463 N -2.60 1.63 2.58 0.54 8.01 -1.26 -3.45 118.70 124.15 2wb1 s GLU 463 Ca 0.72 -0.98 0.00 0.00 0.01 0.00 0.00 54.97 54.72 2wb1 s GLU 463 Cb -0.41 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2wb1 s GLU 463 CO 0.51 -1.51 0.00 0.41 0.01 0.00 0.00 175.26 174.68 2wb1 n GLY 464 N -2.92 -0.58 0.08 -1.39 0.00 -1.26 -4.16 105.19 94.96 2wb1 n GLY 464 Ca 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2wb1 n GLY 464 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wb1 n PRO 465 N 0.00 0.95 -0.08 1.61 -0.02 -1.26 -2.39 135.00 133.81 2wb1 n PRO 465 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2wb1 n PRO 465 Cb 0.00 -1.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.50 2wb1 n PRO 465 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wb1 n ASN 466 N -0.42 2.35 -4.69 2.55 5.03 -1.26 -4.93 115.26 113.90 2wb1 n ASN 466 Ca 0.00 -1.72 -0.42 0.00 0.87 0.00 0.00 54.58 53.31 2wb1 n ASN 466 Cb 0.04 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 2wb1 n ASN 466 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2wb1 s SER 467 N -0.92 6.53 0.00 6.41 0.15 -1.00 -2.45 113.70 122.42 2wb1 s SER 467 Ca 0.16 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.41 2wb1 s SER 467 Cb 0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2wb1 s SER 467 CO 0.13 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2wb1 n GLY 468 N 4.09 2.70 0.08 9.45 0.00 -1.26 -4.72 105.19 115.52 2wb1 n GLY 468 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2wb1 n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wb1 h LEU 469 N 0.00 0.13 -8.44 0.99 3.38 -1.80 -3.43 115.31 106.14 2wb1 h LEU 469 Ca 0.00 -0.18 -0.66 0.00 0.09 0.00 0.00 57.88 57.13 2wb1 h LEU 469 Cb 0.00 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 40.44 2wb1 h LEU 469 CO 0.00 1.15 -0.69 0.54 0.09 0.00 0.00 178.44 179.53 2wb1 s VAL 470 N -2.65 3.61 0.26 1.22 0.11 -1.03 -2.12 120.40 119.81 2wb1 s VAL 470 Ca -0.04 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2wb1 s VAL 470 Cb 0.08 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.24 2wb1 s VAL 470 CO 0.83 0.35 0.06 2.29 -3.33 0.00 0.00 175.10 175.30 2wb1 n LYS 471 N 4.83 0.90 -4.44 1.54 2.85 -1.01 -4.39 118.16 118.44 2wb1 n LYS 471 Ca -0.17 -2.10 -0.29 0.00 -1.05 0.00 0.00 58.31 54.70 2wb1 n LYS 471 Cb 0.50 0.95 -0.13 0.00 -0.65 0.00 0.00 35.03 35.70 2wb1 n LYS 471 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2wb1 s ASN 472 N -2.55 3.23 0.32 -5.58 -0.87 -1.24 -0.49 114.94 107.76 2wb1 s ASN 472 Ca 0.08 -0.72 -0.29 0.00 -1.57 0.00 0.00 52.86 50.36 2wb1 s ASN 472 Cb 0.00 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.25 40.91 2wb1 s ASN 472 CO 0.06 0.18 1.35 -0.76 -2.57 0.00 0.00 177.10 175.36 2wb1 s LEU 473 N -1.95 4.41 0.70 0.60 1.43 0.21 -2.08 118.68 122.01 2wb1 s LEU 473 Ca 0.13 2.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 2wb1 s LEU 473 Cb -0.10 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.49 2wb1 s LEU 473 CO 0.05 -0.61 1.08 0.00 0.23 0.00 0.00 176.35 177.11 2wb1 s ALA 474 N -0.88 2.80 0.72 4.21 0.00 0.12 -4.28 121.76 124.46 2wb1 s ALA 474 Ca 0.52 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 2wb1 s ALA 474 Cb -0.41 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2wb1 s ALA 474 CO 0.52 -1.16 0.67 1.28 0.00 0.00 0.00 175.76 177.07 2wb1 n LEU 475 N -3.04 1.69 -2.62 0.00 4.77 0.10 -3.28 117.00 114.61 2wb1 n LEU 475 Ca 0.07 0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 56.48 2wb1 n LEU 475 Cb 0.56 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2wb1 n LEU 475 CO 0.57 -2.76 -0.16 0.23 -1.33 0.00 0.00 177.39 173.94 2wb1 n MET 476 N -1.07 -2.64 -4.13 3.23 2.81 -1.26 -4.82 117.12 109.24 2wb1 n MET 476 Ca 0.11 0.83 -0.35 0.00 -1.81 0.00 0.00 57.70 56.48 2wb1 n MET 476 Cb 0.50 -5.52 -0.13 0.00 -0.71 0.00 0.00 33.22 27.35 2wb1 n MET 476 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wb1 s ALA 477 N -2.94 2.91 -0.12 3.04 0.00 -1.21 -4.29 121.76 119.17 2wb1 s ALA 477 Ca 0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2wb1 s ALA 477 Cb -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2wb1 s ALA 477 CO 0.12 -0.16 -0.05 -0.65 0.00 0.00 0.00 175.76 175.01 2wb1 s GLN 478 N 1.03 3.28 -0.35 0.00 -0.21 -0.63 -4.92 119.66 117.85 2wb1 s GLN 478 Ca 0.01 -0.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.65 2wb1 s GLN 478 Cb -0.15 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.10 2wb1 s GLN 478 CO 0.01 0.42 0.65 0.42 -2.12 0.00 0.00 175.29 174.66 2wb1 s ILE 479 N -0.14 4.88 0.22 1.08 1.01 -1.26 -0.61 121.20 126.38 2wb1 s ILE 479 Ca 0.02 0.63 -0.32 0.00 0.00 0.00 0.00 60.65 60.98 2wb1 s ILE 479 Cb -0.13 -4.08 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 2wb1 s ILE 479 CO 0.03 -0.31 1.72 0.00 0.00 0.00 0.00 174.94 176.38 2wb1 s ALA 480 N 2.73 3.93 -0.09 9.38 0.00 -0.43 -4.82 121.76 132.46 2wb1 s ALA 480 Ca 0.25 1.60 -0.21 0.00 0.00 0.00 0.00 51.96 53.60 2wb1 s ALA 480 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2wb1 s ALA 480 CO 0.15 -0.93 0.60 0.14 0.00 0.00 0.00 175.76 175.71 2wb1 s VAL 481 N 1.09 5.11 1.10 0.00 -7.23 -1.26 -0.38 120.40 118.83 2wb1 s VAL 481 Ca 0.74 1.22 -0.18 0.00 -1.81 0.00 0.00 61.98 61.95 2wb1 s VAL 481 Cb -0.50 -3.94 0.09 0.00 0.56 0.00 0.00 36.38 32.59 2wb1 s VAL 481 CO 0.33 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 2wb1 n GLY 482 N 3.17 -2.47 3.19 2.32 0.00 -1.26 -4.67 105.19 105.47 2wb1 n GLY 482 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2wb1 n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 483 N -2.25 -0.02 -0.17 -0.61 1.01 -1.10 -4.82 121.20 113.24 2wb1 s ILE 483 Ca 0.55 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.98 2wb1 s ILE 483 Cb -0.12 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 2wb1 s ILE 483 CO 0.66 0.03 1.49 0.21 0.00 0.00 0.00 174.94 177.33 2wb1 s ASN 484 N 0.82 6.65 0.46 3.58 3.84 -1.26 -4.58 114.94 124.44 2wb1 s ASN 484 Ca -0.05 1.75 0.31 0.00 0.21 0.00 0.00 52.86 55.08 2wb1 s ASN 484 Cb -0.06 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.53 2wb1 s ASN 484 CO -0.06 -1.01 1.66 -0.33 -2.79 0.00 0.00 177.10 174.57 2wb1 h GLU 485 N 9.54 0.11 0.00 0.43 5.08 -1.99 0.13 114.58 127.89 2wb1 h GLU 485 Ca -0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2wb1 h GLU 485 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2wb1 h GLU 485 CO 0.98 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 180.70 2wb1 n LYS 486 N -4.54 0.09 -0.08 2.33 5.02 -1.26 0.65 118.16 120.36 2wb1 n LYS 486 Ca 0.35 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2wb1 n LYS 486 Cb 1.40 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.83 2wb1 n LYS 486 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2wb1 h ILE 487 N 0.00 0.72 -0.13 -0.18 1.08 -1.12 -3.37 117.51 114.50 2wb1 h ILE 487 Ca 0.00 -1.77 -0.00 0.00 -0.39 0.00 0.00 64.86 62.69 2wb1 h ILE 487 Cb 0.29 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2wb1 h ILE 487 CO 0.00 0.24 0.07 0.58 -0.69 0.00 0.00 178.15 178.35 2wb1 h VAL 488 N -1.00 1.11 0.00 1.67 2.07 -1.19 -2.82 116.25 116.08 2wb1 h VAL 488 Ca -0.17 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2wb1 h VAL 488 Cb 0.91 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2wb1 h VAL 488 CO -0.10 0.10 -0.15 1.05 0.02 0.00 0.00 177.57 178.48 2wb1 h GLU 489 N 0.10 0.00 0.00 1.57 4.11 -0.05 -1.13 114.58 119.18 2wb1 h GLU 489 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2wb1 h GLU 489 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wb1 h GLU 489 CO -0.01 0.15 0.00 1.63 0.07 0.00 0.00 179.01 180.86 2wb1 n LYS 490 N -3.20 1.00 -0.01 1.06 5.02 -1.08 -2.67 118.16 118.27 2wb1 n LYS 490 Ca 0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 2wb1 n LYS 490 Cb 0.49 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.15 2wb1 n LYS 490 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wb1 n THR 491 N -0.75 0.03 0.04 -0.18 -1.04 -0.45 -4.51 114.28 107.43 2wb1 n THR 491 Ca 0.12 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 2wb1 n THR 491 Cb 0.05 0.18 -0.09 0.00 -1.82 0.00 0.00 70.33 68.65 2wb1 n THR 491 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2wb1 h LEU 492 N 0.00 -0.09 -1.51 -4.42 3.38 -1.28 -2.97 115.31 108.42 2wb1 h LEU 492 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2wb1 h LEU 492 Cb 0.63 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2wb1 h LEU 492 CO 0.00 0.25 0.00 1.88 0.09 0.00 0.00 178.44 180.66 2wb1 h TYR 493 N -0.45 0.00 -0.10 1.13 -1.99 -1.79 -0.56 116.97 113.22 2wb1 h TYR 493 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 2wb1 h TYR 493 Cb 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 2wb1 h TYR 493 CO 0.04 0.00 -0.32 0.93 -0.00 0.00 0.00 178.16 178.81 2wb1 h GLU 494 N 0.00 0.19 -0.19 4.88 5.08 -1.75 -3.26 114.58 119.53 2wb1 h GLU 494 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wb1 h GLU 494 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wb1 h GLU 494 CO 0.00 0.49 0.00 -1.33 -1.00 0.00 0.00 179.01 177.17 2wb1 n MET 495 N -4.12 2.21 0.00 2.33 2.81 -0.25 -4.94 117.12 115.16 2wb1 n MET 495 Ca -0.01 -1.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.89 2wb1 n MET 495 Cb 0.40 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2wb1 n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wb1 n GLY 496 N 1.29 0.74 3.74 3.03 0.00 -1.03 -5.02 105.19 107.94 2wb1 n GLY 496 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wb1 n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 497 N -1.44 4.34 -0.23 1.61 1.01 -1.13 -4.67 120.40 119.89 2wb1 s VAL 497 Ca 0.00 2.08 -0.06 0.00 0.00 0.00 0.00 61.98 64.00 2wb1 s VAL 497 Cb 0.00 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2wb1 s VAL 497 CO 0.00 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 2wb1 s VAL 498 N -0.44 4.16 0.39 2.92 1.01 -1.26 -4.49 120.40 122.69 2wb1 s VAL 498 Ca 0.45 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2wb1 s VAL 498 Cb -0.24 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2wb1 s VAL 498 CO 0.31 0.37 1.18 -2.16 0.00 0.00 0.00 175.10 174.80 2wb1 s PRO 499 N 1.42 4.10 0.27 2.72 0.04 -1.26 -2.22 135.00 140.06 2wb1 s PRO 499 Ca 0.05 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.00 2wb1 s PRO 499 Cb -0.15 -2.72 0.73 0.00 0.04 0.00 0.00 34.50 32.40 2wb1 s PRO 499 CO 0.02 -0.29 1.32 0.28 0.04 0.00 0.00 177.00 178.37 2wb1 n VAL 500 N 0.17 -0.35 -0.37 -0.36 0.31 -1.20 -0.34 118.33 116.18 2wb1 n VAL 500 Ca 0.04 1.82 0.03 0.00 -0.01 0.00 0.00 64.34 66.21 2wb1 n VAL 500 Cb 0.46 -2.71 0.09 0.00 -0.91 0.00 0.00 33.84 30.77 2wb1 n VAL 500 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wb1 h GLU 501 N 0.00 -0.00 0.04 5.55 4.81 -1.90 -1.93 114.58 121.15 2wb1 h GLU 501 Ca 0.55 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.50 2wb1 h GLU 501 Cb 1.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.61 2wb1 h GLU 501 CO -0.76 -0.00 -1.10 1.49 -0.73 0.00 0.00 179.01 177.91 2wb1 h GLU 502 N -0.00 0.68 -0.82 1.92 4.81 -1.04 -3.35 114.58 116.78 2wb1 h GLU 502 Ca 0.42 -0.78 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2wb1 h GLU 502 Cb 0.67 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 2wb1 h GLU 502 CO -1.01 1.35 0.54 0.28 -0.73 0.00 0.00 179.01 179.44 2wb1 h VAL 503 N 0.35 1.16 0.85 0.32 2.07 -1.29 0.27 116.25 119.98 2wb1 h VAL 503 Ca -0.15 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2wb1 h VAL 503 Cb 1.76 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2wb1 h VAL 503 CO 0.21 0.19 -0.48 0.40 0.02 0.00 0.00 177.57 177.92 2wb1 h ILE 504 N 1.05 0.04 -1.61 4.57 1.08 -1.64 -2.99 117.51 118.02 2wb1 h ILE 504 Ca 0.31 0.00 -0.68 0.00 -0.39 0.00 0.00 64.86 64.10 2wb1 h ILE 504 Cb -0.03 0.04 -0.22 0.00 -3.07 0.00 0.00 36.82 33.54 2wb1 h ILE 504 CO -0.08 0.00 1.04 -2.11 -0.69 0.00 0.00 178.15 176.31 2wb1 n ARG 505 N -5.63 3.38 0.00 2.37 -4.01 -1.00 -3.77 116.66 108.00 2wb1 n ARG 505 Ca -0.15 -3.32 0.00 0.00 -1.04 0.00 0.00 57.85 53.34 2wb1 n ARG 505 Cb 0.50 -2.32 0.00 0.00 -3.04 0.00 0.00 32.46 27.61 2wb1 n ARG 505 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 2wb1 n ARG 506 N 0.35 1.92 -0.07 2.89 0.00 0.05 -4.62 116.66 117.18 2wb1 n ARG 506 Ca 0.52 -0.26 -0.09 0.00 -0.00 0.00 0.00 57.85 58.02 2wb1 n ARG 506 Cb 0.34 -0.74 -0.09 0.00 0.00 0.00 0.00 32.46 31.98 2wb1 n ARG 506 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wb1 n VAL 507 N -0.35 0.93 1.92 5.15 0.24 -1.25 -5.04 118.33 119.94 2wb1 n VAL 507 Ca 0.00 -0.47 0.09 0.00 -2.04 0.00 0.00 64.34 61.92 2wb1 n VAL 507 Cb 0.02 -0.86 0.52 0.00 -1.47 0.00 0.00 33.84 32.05 2wb1 n VAL 507 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wb1 n THR 508 N -2.73 0.00 0.00 3.34 -2.24 -1.26 -5.21 114.28 106.18 2wb1 n THR 508 Ca -0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2wb1 n THR 508 Cb 0.88 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2wb1 n THR 508 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wb1 n LYS 519 N -0.79 0.00 -4.55 -0.78 2.85 -1.26 -4.95 118.16 108.68 2wb1 n LYS 519 Ca 0.13 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.12 2wb1 n LYS 519 Cb 0.06 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.27 2wb1 n LYS 519 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2wb1 s TRP 520 N 0.00 1.85 0.00 5.58 0.52 -1.26 -4.93 118.94 120.70 2wb1 s TRP 520 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.31 2wb1 s TRP 520 Cb 0.00 -1.33 0.00 0.00 -1.15 0.00 0.00 33.47 30.99 2wb1 s TRP 520 CO 0.00 -0.41 0.00 0.45 0.02 0.00 0.00 176.95 177.01 2wb1 n SER 521 N 4.04 0.00 -4.82 2.95 2.88 -1.25 -3.52 113.62 113.90 2wb1 n SER 521 Ca -0.20 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.96 2wb1 n SER 521 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 2wb1 n SER 521 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wb1 s LYS 522 N -3.26 4.01 -0.21 -1.46 1.02 -0.25 -3.79 119.74 115.79 2wb1 s LYS 522 Ca 0.00 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.38 2wb1 s LYS 522 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2wb1 s LYS 522 CO 0.00 0.63 0.08 0.08 -0.92 0.00 0.00 175.35 175.22 2wb1 s VAL 523 N -0.93 4.71 -0.07 3.17 1.01 0.39 -0.82 120.40 127.86 2wb1 s VAL 523 Ca 0.25 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2wb1 s VAL 523 Cb -0.17 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2wb1 s VAL 523 CO 0.14 0.41 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 2wb1 s ILE 524 N 0.85 1.27 -0.22 2.22 1.09 -0.87 -1.01 121.20 124.53 2wb1 s ILE 524 Ca 0.04 -0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 59.01 2wb1 s ILE 524 Cb -0.14 -1.15 0.00 0.00 -1.06 0.00 0.00 42.46 40.12 2wb1 s ILE 524 CO 0.02 0.39 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.95 2wb1 s LEU 525 N 0.62 2.78 -1.35 2.97 1.98 0.31 -0.25 118.68 125.73 2wb1 s LEU 525 Ca -0.15 -0.54 -0.15 0.00 -2.89 0.00 0.00 54.13 50.40 2wb1 s LEU 525 Cb -0.16 -1.67 0.02 0.00 0.66 0.00 0.00 46.19 45.04 2wb1 s LEU 525 CO 0.04 -0.04 0.42 0.59 -1.89 0.00 0.00 176.35 175.47 2wb1 n ASN 526 N 4.74 -1.84 -0.64 3.68 3.02 -0.89 -0.73 115.26 122.60 2wb1 n ASN 526 Ca -0.18 -1.21 -0.08 0.00 -0.03 0.00 0.00 54.58 53.08 2wb1 n ASN 526 Cb 0.50 -2.10 -0.03 0.00 -0.61 0.00 0.00 39.78 37.53 2wb1 n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 527 N -2.19 1.00 2.76 7.41 0.00 -1.26 -4.54 105.19 108.37 2wb1 n GLY 527 Ca -0.22 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 2wb1 n GLY 527 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wb1 s ARG 528 N -2.73 0.14 -0.13 1.61 3.52 0.09 -4.40 118.95 117.06 2wb1 s ARG 528 Ca 0.00 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 2wb1 s ARG 528 Cb 0.00 -0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 2wb1 s ARG 528 CO 0.00 -0.21 1.56 -1.17 -0.81 0.00 0.00 175.30 174.67 2wb1 s LEU 529 N 1.44 4.15 -0.23 -0.88 0.20 -1.26 0.12 118.68 122.21 2wb1 s LEU 529 Ca -0.04 1.91 -0.06 0.00 0.69 0.00 0.00 54.13 56.63 2wb1 s LEU 529 Cb -0.13 -3.53 -0.12 0.00 -0.43 0.00 0.00 46.19 41.98 2wb1 s LEU 529 CO -0.03 -1.00 -0.26 0.52 -0.29 0.00 0.00 176.35 175.29 2wb1 n VAL 530 N 5.77 1.29 -2.93 1.68 0.31 -0.18 -4.89 118.33 119.39 2wb1 n VAL 530 Ca 0.17 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2wb1 n VAL 530 Cb 0.44 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2wb1 n VAL 530 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wb1 n GLY 531 N 1.93 1.83 0.00 2.92 0.00 -1.07 -3.27 105.19 107.53 2wb1 n GLY 531 Ca -0.43 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2wb1 n GLY 531 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wb1 n TYR 532 N 0.00 0.00 -1.30 1.61 4.02 -0.94 0.15 117.16 120.69 2wb1 n TYR 532 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wb1 n TYR 532 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wb1 n TYR 532 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2wb1 n TYR 533 N -0.22 -1.09 -2.40 -0.72 9.36 -1.25 -3.98 117.16 116.87 2wb1 n TYR 533 Ca 0.00 0.65 -0.42 0.00 3.32 0.00 0.00 57.90 61.45 2wb1 n TYR 533 Cb 0.00 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.26 2wb1 n TYR 533 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2wb1 s ARG 534 N -1.70 4.46 0.00 2.98 3.52 -1.26 -4.33 118.95 122.63 2wb1 s ARG 534 Ca 0.00 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 2wb1 s ARG 534 Cb 0.00 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2wb1 s ARG 534 CO 0.00 -0.18 0.00 -3.47 -0.81 0.00 0.00 175.30 170.84 2wb1 n ASP 535 N 3.33 -1.21 -0.26 -2.12 -0.08 -1.23 -4.96 116.55 110.01 2wb1 n ASP 535 Ca 0.07 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.30 2wb1 n ASP 535 Cb 0.46 -0.61 0.06 0.00 2.34 0.00 0.00 41.12 43.37 2wb1 n ASP 535 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2wb1 h GLY 536 N 0.00 1.05 0.49 0.27 0.00 -1.77 -2.96 103.07 100.15 2wb1 h GLY 536 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.97 2wb1 h GLY 536 CO 0.00 0.42 0.15 0.83 0.00 0.00 0.00 176.54 177.94 2wb1 h GLU 537 N 0.99 0.31 -0.80 4.80 5.08 -1.96 -2.33 114.58 120.66 2wb1 h GLU 537 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2wb1 h GLU 537 Cb -0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2wb1 h GLU 537 CO -0.05 0.20 0.37 0.93 -1.00 0.00 0.00 179.01 179.46 2wb1 h GLU 538 N 0.32 1.16 -0.26 2.33 5.08 -1.91 0.13 114.58 121.43 2wb1 h GLU 538 Ca 0.24 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2wb1 h GLU 538 Cb 0.27 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2wb1 h GLU 538 CO -0.26 0.91 -0.21 1.25 -1.00 0.00 0.00 179.01 179.70 2wb1 h LEU 539 N 1.15 -0.67 -0.24 1.33 7.12 -1.28 0.38 115.31 123.09 2wb1 h LEU 539 Ca 0.27 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 58.40 2wb1 h LEU 539 Cb 0.14 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 2wb1 h LEU 539 CO -0.03 -0.24 0.10 0.00 -0.13 0.00 0.00 178.44 178.13 2wb1 h ALA 540 N 0.92 0.31 -0.17 1.25 0.00 -1.10 -2.45 119.26 118.02 2wb1 h ALA 540 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wb1 h ALA 540 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wb1 h ALA 540 CO -0.38 -0.10 -0.08 0.87 0.00 0.00 0.00 179.25 179.57 2wb1 h LYS 541 N 0.24 0.26 -0.06 0.00 1.57 -0.17 -1.36 116.57 117.05 2wb1 h LYS 541 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2wb1 h LYS 541 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wb1 h LYS 541 CO -0.01 0.36 -0.01 0.87 -0.57 0.00 0.00 179.45 180.09 2wb1 h LYS 542 N 0.25 0.12 -0.99 3.15 1.57 -0.16 -2.41 116.57 118.11 2wb1 h LYS 542 Ca 0.06 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2wb1 h LYS 542 Cb 0.30 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2wb1 h LYS 542 CO 0.01 0.43 0.65 0.82 -0.57 0.00 0.00 179.45 180.79 2wb1 h ILE 543 N -0.21 1.20 0.01 1.86 2.04 -1.01 -2.99 117.51 118.41 2wb1 h ILE 543 Ca 0.02 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2wb1 h ILE 543 Cb 0.38 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2wb1 h ILE 543 CO 0.01 0.23 -0.01 0.03 0.00 0.00 0.00 178.15 178.41 2wb1 h ARG 544 N 1.27 -0.01 0.00 2.37 3.08 -1.29 -1.87 114.38 117.94 2wb1 h ARG 544 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2wb1 h ARG 544 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wb1 h ARG 544 CO -0.11 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.75 2wb1 n GLU 545 N -4.81 0.10 -0.12 0.04 1.02 -0.91 -1.85 120.64 114.11 2wb1 n GLU 545 Ca -0.09 0.49 -0.25 0.00 -0.02 0.00 0.00 57.16 57.30 2wb1 n GLU 545 Cb 0.30 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 2wb1 n GLU 545 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 n ARG 546 N -1.97 0.62 -0.10 3.49 1.74 -1.13 -3.58 116.66 115.73 2wb1 n ARG 546 Ca 0.01 0.25 0.20 0.00 -0.77 0.00 0.00 57.85 57.54 2wb1 n ARG 546 Cb 0.10 -1.54 0.63 0.00 -1.02 0.00 0.00 32.46 30.63 2wb1 n ARG 546 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2wb1 h ARG 547 N -0.61 0.15 0.08 5.56 1.12 -1.03 1.23 114.38 120.89 2wb1 h ARG 547 Ca -0.62 -0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 57.97 2wb1 h ARG 547 Cb 1.71 -0.03 0.02 0.00 -0.01 0.00 0.00 29.97 31.65 2wb1 h ARG 547 CO -0.27 0.10 -1.15 0.00 -3.11 0.00 0.00 179.97 175.54 2wb1 h ARG 548 N 0.16 0.48 0.00 0.20 3.08 -1.56 -3.22 114.38 113.52 2wb1 h ARG 548 Ca 0.34 -0.63 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 2wb1 h ARG 548 Cb 1.11 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2wb1 h ARG 548 CO -0.05 1.26 -0.21 0.87 -1.07 0.00 0.00 179.97 180.77 2wb1 h LYS 549 N 0.22 0.00 0.00 0.04 1.79 -0.86 -3.35 116.57 114.41 2wb1 h LYS 549 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2wb1 h LYS 549 Cb 1.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 2wb1 h LYS 549 CO 0.21 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2wb1 n GLY 550 N 0.55 1.05 0.06 3.86 0.00 0.40 -4.97 105.19 106.15 2wb1 n GLY 550 Ca 0.01 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2wb1 n GLY 550 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wb1 n GLU 551 N -1.40 0.26 -4.23 1.61 2.13 -0.35 -4.89 120.64 113.77 2wb1 n GLU 551 Ca 0.00 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 2wb1 n GLU 551 Cb 0.18 -1.67 -0.10 0.00 0.27 0.00 0.00 31.44 30.12 2wb1 n GLU 551 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2wb1 s ILE 552 N -3.15 0.68 0.42 6.31 1.10 -1.25 -4.96 121.20 120.36 2wb1 s ILE 552 Ca 0.07 -1.98 -0.26 0.00 -0.51 0.00 0.00 60.65 57.98 2wb1 s ILE 552 Cb 0.14 -2.06 -0.09 0.00 0.15 0.00 0.00 42.46 40.61 2wb1 s ILE 552 CO 0.71 -0.53 1.33 -0.55 -2.11 0.00 0.00 174.94 173.79 2wb1 s SER 553 N -3.15 6.19 0.62 4.50 0.15 -1.26 -4.43 113.70 116.31 2wb1 s SER 553 Ca 0.22 2.71 0.35 0.00 0.70 0.00 0.00 55.95 59.93 2wb1 s SER 553 Cb 0.06 -2.64 2.01 0.00 -1.71 0.00 0.00 66.02 63.73 2wb1 s SER 553 CO 0.03 -0.94 2.26 0.44 1.20 0.00 0.00 173.24 176.23 2wb1 h ASP 554 N 2.56 0.00 -0.35 5.45 5.19 -1.98 -3.09 116.42 124.20 2wb1 h ASP 554 Ca -0.50 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.81 2wb1 h ASP 554 Cb 1.25 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 2wb1 h ASP 554 CO 0.62 0.00 0.02 -0.62 -3.12 0.00 0.00 179.24 176.14 2wb1 n GLU 555 N -3.54 2.56 -3.55 3.56 1.02 -1.26 -4.84 120.64 114.59 2wb1 n GLU 555 Ca -0.02 -2.99 -0.41 0.00 -0.02 0.00 0.00 57.16 53.72 2wb1 n GLU 555 Cb 0.12 -1.87 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 2wb1 n GLU 555 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wb1 s VAL 556 N -3.01 4.23 0.11 2.62 1.01 -1.17 -4.52 120.40 119.68 2wb1 s VAL 556 Ca 0.44 -1.74 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 2wb1 s VAL 556 Cb 0.38 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 2wb1 s VAL 556 CO 0.06 -0.75 0.49 0.20 0.00 0.00 0.00 175.10 175.10 2wb1 s ASN 557 N 2.63 6.78 -0.04 3.32 0.02 0.14 -4.94 114.94 122.85 2wb1 s ASN 557 Ca 0.05 0.98 -0.01 0.00 -1.02 0.00 0.00 52.86 52.87 2wb1 s ASN 557 Cb -0.26 -2.25 0.03 0.00 0.02 0.00 0.00 41.25 38.79 2wb1 s ASN 557 CO -0.00 0.15 0.03 -0.69 0.02 0.00 0.00 177.10 176.61 2wb1 s VAL 558 N -1.40 0.06 0.07 1.60 1.01 -1.26 -0.84 120.40 119.65 2wb1 s VAL 558 Ca 0.35 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.67 2wb1 s VAL 558 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2wb1 s VAL 558 CO 0.18 0.17 -0.23 -0.83 0.00 0.00 0.00 175.10 174.40 2wb1 s GLY 559 N 1.68 1.27 -0.42 4.51 0.00 -0.66 -4.54 107.32 109.16 2wb1 s GLY 559 Ca -0.01 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 2wb1 s GLY 559 CO -0.03 -1.16 0.19 -1.58 0.00 0.00 0.00 173.10 170.52 2wb1 s HIS 560 N -0.94 3.59 -0.22 1.90 2.46 -1.26 -0.42 115.29 120.40 2wb1 s HIS 560 Ca 0.09 -2.69 -0.25 0.00 0.47 0.00 0.00 55.06 52.67 2wb1 s HIS 560 Cb -0.10 -3.10 -0.01 0.00 -0.13 0.00 0.00 32.58 29.25 2wb1 s HIS 560 CO 0.03 -0.93 0.86 0.42 -2.47 0.00 0.00 174.74 172.65 2wb1 s ILE 561 N 0.80 4.83 -0.05 0.89 1.01 0.28 -4.83 121.20 124.13 2wb1 s ILE 561 Ca 0.11 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 2wb1 s ILE 561 Cb -0.22 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2wb1 s ILE 561 CO -0.05 -0.06 -0.07 0.52 0.00 0.00 0.00 174.94 175.28 2wb1 n VAL 562 N 5.11 0.46 -1.25 2.92 0.31 -1.26 -1.13 118.33 123.48 2wb1 n VAL 562 Ca 0.06 0.40 0.16 0.00 -0.01 0.00 0.00 64.34 64.95 2wb1 n VAL 562 Cb 0.48 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 2wb1 n VAL 562 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2wb1 n THR 563 N -3.04 0.00 1.16 2.52 -1.04 -1.26 -3.96 114.28 108.67 2wb1 n THR 563 Ca -0.03 0.24 0.13 0.00 -2.04 0.00 0.00 64.05 62.34 2wb1 n THR 563 Cb 0.11 -0.64 0.33 0.00 -1.82 0.00 0.00 70.33 68.31 2wb1 n THR 563 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2wb1 n ASP 564 N -4.31 0.85 0.00 8.00 8.00 -1.26 -4.57 116.55 123.26 2wb1 n ASP 564 Ca -0.02 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2wb1 n ASP 564 Cb 0.65 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 2wb1 n ASP 564 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wb1 n PHE 565 N -0.94 0.00 -3.92 1.24 3.01 -1.26 -5.06 117.46 110.53 2wb1 n PHE 565 Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 2wb1 n PHE 565 Cb 0.34 0.08 -0.14 0.00 -0.01 0.00 0.00 39.48 39.76 2wb1 n PHE 565 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2wb1 s ILE 566 N -1.77 3.02 -0.65 4.37 -5.25 -1.26 -5.06 121.20 114.60 2wb1 s ILE 566 Ca 0.00 -1.12 -0.19 0.00 -0.99 0.00 0.00 60.65 58.35 2wb1 s ILE 566 Cb 0.00 -2.61 0.11 0.00 2.95 0.00 0.00 42.46 42.91 2wb1 s ILE 566 CO 0.00 0.08 0.78 0.21 -1.79 0.00 0.00 174.94 174.23 2wb1 s ASN 567 N 1.32 6.26 -0.11 4.36 3.84 -1.25 -4.21 114.94 125.14 2wb1 s ASN 567 Ca -0.01 -1.51 0.02 0.00 0.21 0.00 0.00 52.86 51.56 2wb1 s ASN 567 Cb -0.18 -2.32 0.01 0.00 -0.55 0.00 0.00 41.25 38.21 2wb1 s ASN 567 CO -0.03 -1.12 -0.16 -1.61 -2.79 0.00 0.00 177.10 171.39 2wb1 s GLU 568 N 2.71 2.33 -0.25 0.43 2.02 -0.29 -1.09 118.70 124.56 2wb1 s GLU 568 Ca 0.15 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.47 2wb1 s GLU 568 Cb -0.21 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 2wb1 s GLU 568 CO 0.04 -0.03 0.04 0.08 0.02 0.00 0.00 175.26 175.41 2wb1 s VAL 569 N 0.89 3.93 -0.17 2.63 1.01 -0.00 0.99 120.40 129.68 2wb1 s VAL 569 Ca -0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2wb1 s VAL 569 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2wb1 s VAL 569 CO -0.00 0.29 0.02 -1.00 0.00 0.00 0.00 175.10 174.40 2wb1 s HIS 570 N 1.54 3.16 -0.26 5.22 3.76 0.44 -2.06 115.29 127.11 2wb1 s HIS 570 Ca 0.05 -0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 2wb1 s HIS 570 Cb -0.15 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.52 2wb1 s HIS 570 CO 0.01 0.09 -0.01 0.08 -0.85 0.00 0.00 174.74 174.06 2wb1 s VAL 571 N 0.35 3.39 -0.08 -0.90 1.01 0.65 -1.65 120.40 123.17 2wb1 s VAL 571 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2wb1 s VAL 571 Cb -0.13 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2wb1 s VAL 571 CO 0.01 0.22 -0.19 0.20 0.00 0.00 0.00 175.10 175.34 2wb1 s ASN 572 N 1.43 3.57 0.00 3.32 0.01 -0.02 -2.08 114.94 121.17 2wb1 s ASN 572 Ca 0.03 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2wb1 s ASN 572 Cb -0.16 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.37 2wb1 s ASN 572 CO -0.02 0.24 0.13 0.00 -1.51 0.00 0.00 177.10 175.94 2wb1 s ASP 574 N 0.00 6.48 0.28 0.00 3.84 -1.26 -2.72 116.67 123.29 2wb1 s ASP 574 Ca 0.00 1.50 -0.29 0.00 -0.00 0.00 0.00 52.55 53.75 2wb1 s ASP 574 Cb 0.00 -2.49 -0.13 0.00 -1.38 0.00 0.00 42.92 38.92 2wb1 s ASP 574 CO 0.00 -0.67 1.21 -0.24 -0.00 0.00 0.00 175.17 175.47 2wb1 n SER 575 N -1.97 2.15 0.00 2.11 2.88 -1.26 -4.15 113.62 113.38 2wb1 n SER 575 Ca 0.06 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2wb1 n SER 575 Cb 0.54 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2wb1 n SER 575 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wb1 n GLY 576 N 1.36 1.10 3.73 0.46 0.00 0.49 -4.86 105.19 107.48 2wb1 n GLY 576 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2wb1 n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wb1 s ARG 577 N -0.69 4.34 -0.05 1.61 0.52 -1.26 -0.61 118.95 122.81 2wb1 s ARG 577 Ca 0.00 0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 55.53 2wb1 s ARG 577 Cb 0.00 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2wb1 s ARG 577 CO 0.00 0.20 0.86 0.08 0.02 0.00 0.00 175.30 176.46 2wb1 s VAL 578 N 0.42 4.94 0.18 3.52 1.01 -1.26 -1.31 120.40 127.90 2wb1 s VAL 578 Ca 0.29 1.78 0.08 0.00 0.00 0.00 0.00 61.98 64.13 2wb1 s VAL 578 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2wb1 s VAL 578 CO 0.13 0.18 -0.16 -0.13 0.00 0.00 0.00 175.10 175.12 2wb1 s ARG 579 N 1.06 1.28 -0.04 2.72 0.52 0.22 -4.23 118.95 120.48 2wb1 s ARG 579 Ca 0.45 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 2wb1 s ARG 579 Cb -0.19 -1.22 0.01 0.00 0.52 0.00 0.00 34.95 34.07 2wb1 s ARG 579 CO 0.22 0.23 -0.07 0.50 0.02 0.00 0.00 175.30 176.20 2wb1 s ARG 580 N -3.10 0.99 0.13 3.54 3.52 -1.10 -1.61 118.95 121.32 2wb1 s ARG 580 Ca 0.18 -0.21 -0.26 0.00 -0.13 0.00 0.00 55.73 55.30 2wb1 s ARG 580 Cb -0.04 -0.92 -0.07 0.00 -1.56 0.00 0.00 34.95 32.36 2wb1 s ARG 580 CO 0.06 -0.00 0.82 -1.25 -0.81 0.00 0.00 175.30 174.12 2wb1 s PRO 581 N 0.63 4.60 0.15 5.12 0.04 -1.26 -1.35 135.00 142.94 2wb1 s PRO 581 Ca -0.10 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.20 2wb1 s PRO 581 Cb -0.13 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2wb1 s PRO 581 CO 0.01 0.42 -0.10 -0.51 0.04 0.00 0.00 177.00 176.86 2wb1 s LEU 582 N -0.65 2.52 -0.14 -3.56 1.43 -1.18 -4.64 118.68 112.47 2wb1 s LEU 582 Ca 0.39 -1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.22 2wb1 s LEU 582 Cb -0.23 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 2wb1 s LEU 582 CO 0.26 -0.33 0.81 -0.63 0.23 0.00 0.00 176.35 176.69 2wb1 s ILE 583 N -3.31 4.92 -0.02 -0.59 -1.09 -0.79 -1.90 121.20 118.42 2wb1 s ILE 583 Ca 0.17 1.61 -0.30 0.00 -2.23 0.00 0.00 60.65 59.90 2wb1 s ILE 583 Cb 0.03 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2wb1 s ILE 583 CO 0.01 0.08 1.26 -0.63 -1.23 0.00 0.00 174.94 174.43 2wb1 s ILE 584 N 1.81 4.06 -0.24 2.92 1.01 0.42 -1.20 121.20 129.97 2wb1 s ILE 584 Ca 0.39 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 2wb1 s ILE 584 Cb -0.17 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.40 2wb1 s ILE 584 CO 0.14 0.02 -0.06 -0.69 0.00 0.00 0.00 174.94 174.35 2wb1 s VAL 585 N 2.07 2.99 -0.19 2.92 1.01 0.66 -4.70 120.40 125.17 2wb1 s VAL 585 Ca 0.59 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2wb1 s VAL 585 Cb -0.27 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2wb1 s VAL 585 CO 0.24 0.27 -0.01 -0.94 0.00 0.00 0.00 175.10 174.67 2wb1 s SER 586 N 1.37 4.85 0.02 3.32 1.04 -1.26 -4.52 113.70 118.52 2wb1 s SER 586 Ca 0.02 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2wb1 s SER 586 Cb -0.16 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2wb1 s SER 586 CO -0.04 0.10 0.00 0.59 0.98 0.00 0.00 173.24 174.87 2wb1 n ASN 587 N 3.99 0.00 -2.79 7.02 4.13 -1.26 -3.50 115.26 122.85 2wb1 n ASN 587 Ca -0.17 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 55.99 2wb1 n ASN 587 Cb 0.52 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.81 2wb1 n ASN 587 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wb1 n GLY 588 N 0.00 0.59 3.14 7.41 0.00 -1.26 -4.43 105.19 110.64 2wb1 n GLY 588 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2wb1 n GLY 588 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 589 N -1.53 -0.07 0.00 1.61 0.01 -1.23 -4.97 114.94 108.76 2wb1 s ASN 589 Ca 0.29 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2wb1 s ASN 589 Cb 0.26 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.18 2wb1 s ASN 589 CO -0.16 -0.34 0.00 -0.81 -1.51 0.00 0.00 177.10 174.28 2wb1 n PRO 590 N 1.64 0.00 -0.92 -0.60 -0.04 -1.26 -4.09 135.00 129.73 2wb1 n PRO 590 Ca -0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.22 2wb1 n PRO 590 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2wb1 n PRO 590 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2wb1 n LEU 591 N 0.00 -0.42 -0.11 1.53 -0.00 -1.26 -4.96 117.00 111.78 2wb1 n LEU 591 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 2wb1 n LEU 591 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 2wb1 n LEU 591 CO 0.00 1.16 0.18 0.52 -0.00 0.00 0.00 177.39 179.25 2wb1 n VAL 592 N 0.07 -0.15 0.31 1.47 0.31 -1.26 0.05 118.33 119.13 2wb1 n VAL 592 Ca -0.15 0.70 0.16 0.00 -0.01 0.00 0.00 64.34 65.04 2wb1 n VAL 592 Cb 0.71 -0.93 0.67 0.00 -0.91 0.00 0.00 33.84 33.39 2wb1 n VAL 592 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 h THR 593 N 0.00 0.00 0.23 2.52 1.03 -2.04 -3.20 112.91 111.45 2wb1 h THR 593 Ca 0.11 -0.39 -0.33 0.00 -0.01 0.00 0.00 66.41 65.80 2wb1 h THR 593 Cb 0.18 1.30 0.03 0.00 -1.07 0.00 0.00 68.15 68.59 2wb1 h THR 593 CO -0.30 0.00 -1.46 0.03 -0.01 0.00 0.00 175.52 173.79 2wb1 h ARG 594 N 0.00 0.48 -5.06 0.00 3.08 -0.82 -3.32 114.38 108.75 2wb1 h ARG 594 Ca 0.00 -0.83 -0.59 0.00 0.07 0.00 0.00 59.98 58.64 2wb1 h ARG 594 Cb 0.42 0.31 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 2wb1 h ARG 594 CO 0.00 1.39 2.12 -1.91 -1.07 0.00 0.00 179.97 180.51 2wb1 n GLU 595 N -3.67 2.33 0.05 0.04 0.00 -1.21 -3.57 120.64 114.60 2wb1 n GLU 595 Ca -0.16 -2.61 0.00 0.00 0.00 0.00 0.00 57.16 54.40 2wb1 n GLU 595 Cb 1.09 -3.39 0.00 0.00 0.00 0.00 0.00 31.44 29.14 2wb1 n GLU 595 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wb1 n ASP 596 N 9.33 -0.03 -2.70 4.31 9.92 -1.25 -4.94 116.55 131.19 2wb1 n ASP 596 Ca 0.49 0.16 -0.18 0.00 -0.53 0.00 0.00 54.79 54.72 2wb1 n ASP 596 Cb 0.43 0.12 -0.07 0.00 -0.64 0.00 0.00 41.12 40.97 2wb1 n ASP 596 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2wb1 n ILE 597 N -2.86 2.62 0.00 0.53 -0.00 -1.23 -4.68 119.36 113.74 2wb1 n ILE 597 Ca 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 62.75 61.29 2wb1 n ILE 597 Cb 0.03 -2.08 0.00 0.00 -0.00 0.00 0.00 39.64 37.58 2wb1 n ILE 597 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2wb1 n GLU 598 N 3.34 0.11 0.00 6.28 4.71 -1.26 -0.48 120.64 133.33 2wb1 n GLU 598 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2wb1 n GLU 598 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 2wb1 n GLU 598 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wb1 n LYS 599 N 0.00 0.00 -3.86 3.49 4.01 -1.26 -2.16 118.16 118.38 2wb1 n LYS 599 Ca 0.00 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.44 2wb1 n LYS 599 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 2wb1 n LYS 599 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wb1 s LEU 600 N 0.00 3.85 0.00 -0.35 2.01 -1.26 -4.59 118.68 118.35 2wb1 s LEU 600 Ca 0.00 -1.09 0.00 0.00 0.01 0.00 0.00 54.13 53.05 2wb1 s LEU 600 Cb 0.00 -1.76 0.00 0.00 0.01 0.00 0.00 46.19 44.44 2wb1 s LEU 600 CO 0.00 -0.24 0.00 0.47 1.01 0.00 0.00 176.35 177.59 2wb1 n ASP 601 N 4.71 0.00 -4.62 2.29 8.00 -1.25 -5.06 116.55 120.62 2wb1 n ASP 601 Ca -0.14 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 54.92 2wb1 n ASP 601 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 2wb1 n ASP 601 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wb1 n SER 602 N 0.00 3.49 0.00 -2.24 3.41 -0.92 -4.65 113.62 112.71 2wb1 n SER 602 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2wb1 n SER 602 Cb 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.46 2wb1 n SER 602 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wb1 n GLY 603 N 5.24 -1.27 2.65 5.00 0.00 0.36 -4.58 105.19 112.59 2wb1 n GLY 603 Ca 0.27 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 603 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 604 N 0.00 6.41 0.00 1.61 3.41 -1.25 -4.88 113.62 118.92 2wb1 n SER 604 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 2wb1 n SER 604 Cb 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.48 2wb1 n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wb1 n ILE 605 N 2.98 0.00 -2.20 -1.33 3.06 -1.25 -4.91 119.36 115.71 2wb1 n ILE 605 Ca 0.53 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.78 2wb1 n ILE 605 Cb 0.31 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.49 2wb1 n ILE 605 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2wb1 n THR 606 N 0.00-13.35 -0.17 9.51 -1.04 -1.26 -4.44 114.28 103.53 2wb1 n THR 606 Ca 0.00 3.31 -0.01 0.00 -2.04 0.00 0.00 64.05 65.31 2wb1 n THR 606 Cb 0.00 -5.66 0.08 0.00 -1.82 0.00 0.00 70.33 62.93 2wb1 n THR 606 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2wb1 h PHE 607 N 4.40 0.10 -0.47 -1.42 3.57 -1.92 -0.35 116.94 120.84 2wb1 h PHE 607 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2wb1 h PHE 607 Cb 0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wb1 h PHE 607 CO 0.00 -0.06 0.35 -0.44 -2.23 0.00 0.00 178.31 175.93 2wb1 h ASP 608 N 0.19 0.00 0.54 0.41 3.32 -1.89 -0.10 116.42 118.90 2wb1 h ASP 608 Ca 0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 2wb1 h ASP 608 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2wb1 h ASP 608 CO -0.39 0.00 -0.46 0.44 -1.72 0.00 0.00 179.24 177.11 2wb1 h ASP 609 N 0.00 0.00 0.99 6.45 5.19 -1.27 0.26 116.42 128.05 2wb1 h ASP 609 Ca 0.23 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 2wb1 h ASP 609 Cb 0.92 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 2wb1 h ASP 609 CO -0.00 0.46 -0.58 0.25 -3.12 0.00 0.00 179.24 176.25 2wb1 h LEU 610 N 0.00 0.00 -0.07 1.55 6.46 -0.93 -2.15 115.31 120.17 2wb1 h LEU 610 Ca -0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2wb1 h LEU 610 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2wb1 h LEU 610 CO 0.06 0.58 -0.28 0.58 -0.62 0.00 0.00 178.44 178.76 2wb1 h VAL 611 N 0.00 1.43 0.31 1.05 2.07 -1.12 -2.80 116.25 117.19 2wb1 h VAL 611 Ca -0.01 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 2wb1 h VAL 611 Cb 1.23 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 2wb1 h VAL 611 CO 0.08 0.48 -0.52 0.03 0.02 0.00 0.00 177.57 177.66 2wb1 h ARG 612 N -0.20 -0.86 -0.98 1.57 3.08 -0.44 -2.21 114.38 114.35 2wb1 h ARG 612 Ca -0.02 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.22 2wb1 h ARG 612 Cb 0.93 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 31.03 2wb1 h ARG 612 CO 0.06 -0.57 -0.46 0.94 -1.07 0.00 0.00 179.97 178.87 2wb1 n GLN 613 N -5.51 -0.31 0.00 0.04 -0.06 -0.81 -4.73 117.38 106.00 2wb1 n GLN 613 Ca -0.10 1.49 0.00 0.00 -2.00 0.00 0.00 57.00 56.39 2wb1 n GLN 613 Cb 0.44 -2.21 0.00 0.00 -4.06 0.00 0.00 30.24 24.41 2wb1 n GLN 613 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wb1 n GLY 614 N -1.37 1.04 0.00 1.69 0.00 -0.83 -4.65 105.19 101.07 2wb1 n GLY 614 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2wb1 n GLY 614 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 615 N -0.00 5.84 -4.80 1.61 4.76 -1.08 -4.90 118.16 119.58 2wb1 n LYS 615 Ca 0.00 -0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 2wb1 n LYS 615 Cb 0.00 -0.65 -0.14 0.00 -1.84 0.00 0.00 35.03 32.39 2wb1 n LYS 615 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wb1 s ILE 616 N -1.31 2.12 -0.28 -0.18 1.01 -1.09 -0.44 121.20 121.03 2wb1 s ILE 616 Ca 0.01 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.23 2wb1 s ILE 616 Cb 0.02 -1.83 0.17 0.00 0.01 0.00 0.00 42.46 40.84 2wb1 s ILE 616 CO 0.12 0.31 0.50 -0.70 0.00 0.00 0.00 174.94 175.17 2wb1 s GLU 617 N -1.37 0.47 0.45 2.79 2.12 -0.80 -4.39 118.70 117.97 2wb1 s GLU 617 Ca 0.12 0.60 -0.25 0.00 0.36 0.00 0.00 54.97 55.79 2wb1 s GLU 617 Cb -0.10 0.03 -0.08 0.00 0.26 0.00 0.00 34.13 34.24 2wb1 s GLU 617 CO 0.03 -0.80 1.37 0.71 -0.54 0.00 0.00 175.26 176.03 2wb1 s TYR 618 N 2.70 2.57 -0.07 5.30 1.51 -1.26 -3.07 117.35 125.03 2wb1 s TYR 618 Ca 0.14 1.33 0.01 0.00 -1.01 0.00 0.00 57.07 57.54 2wb1 s TYR 618 Cb -0.14 -3.81 0.02 0.00 -0.11 0.00 0.00 41.96 37.92 2wb1 s TYR 618 CO -0.23 -2.62 -0.07 -0.51 -1.11 0.00 0.00 175.55 171.01 2wb1 s LEU 619 N -2.71 1.33 0.62 -1.29 1.43 -0.45 -4.92 118.68 112.69 2wb1 s LEU 619 Ca 0.61 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 2wb1 s LEU 619 Cb -0.41 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 2wb1 s LEU 619 CO 0.52 -0.05 1.08 -0.62 0.23 0.00 0.00 176.35 177.51 2wb1 s ASP 620 N 1.12 5.51 0.00 2.29 3.68 -1.26 -2.72 116.67 125.28 2wb1 s ASP 620 Ca -0.07 1.87 0.06 0.00 2.13 0.00 0.00 52.55 56.54 2wb1 s ASP 620 Cb -0.14 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 39.05 2wb1 s ASP 620 CO -0.01 -1.36 1.18 0.00 0.13 0.00 0.00 175.17 175.12 2wb1 n ALA 621 N -2.25 1.29 0.11 3.66 0.00 -1.26 -1.59 120.51 120.47 2wb1 n ALA 621 Ca 0.09 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 2wb1 n ALA 621 Cb 0.53 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 2wb1 n ALA 621 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wb1 h GLU 622 N 0.00 0.46 0.04 0.00 4.57 -1.92 -3.31 114.58 114.42 2wb1 h GLU 622 Ca 0.00 -0.78 -0.25 0.00 -1.18 0.00 0.00 59.36 57.14 2wb1 h GLU 622 Cb 0.10 0.29 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2wb1 h GLU 622 CO 0.00 1.38 -1.06 1.49 -1.18 0.00 0.00 179.01 179.64 2wb1 h GLU 623 N -0.04 0.47 -0.21 1.92 4.81 -1.57 -3.10 114.58 116.86 2wb1 h GLU 623 Ca -0.22 -0.56 0.06 0.00 -0.13 0.00 0.00 59.36 58.51 2wb1 h GLU 623 Cb 1.98 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.53 2wb1 h GLU 623 CO 0.23 1.20 0.32 1.49 -0.73 0.00 0.00 179.01 181.53 2wb1 h GLU 624 N 0.24 0.00 0.09 1.92 4.81 -1.43 -1.85 114.58 118.36 2wb1 h GLU 624 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2wb1 h GLU 624 Cb 1.71 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.07 2wb1 h GLU 624 CO 0.19 0.00 -0.24 1.49 -0.73 0.00 0.00 179.01 179.72 2wb1 h GLU 625 N 0.00 -0.35 -0.99 1.92 4.57 -1.62 -2.82 114.58 115.29 2wb1 h GLU 625 Ca 0.10 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.52 2wb1 h GLU 625 Cb 0.74 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.31 2wb1 h GLU 625 CO -0.00 -0.23 0.62 -0.91 -1.18 0.00 0.00 179.01 177.31 2wb1 h ASN 626 N -0.36 0.61 -3.91 1.04 4.21 -1.51 -3.43 115.58 112.23 2wb1 h ASN 626 Ca -0.01 0.08 -0.48 0.00 1.21 0.00 0.00 56.30 57.10 2wb1 h ASN 626 Cb 0.35 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 2wb1 h ASN 626 CO -0.11 0.20 0.39 0.00 -1.29 0.00 0.00 177.43 176.62 2wb1 s ALA 627 N -5.66 3.18 -0.30 -0.83 0.00 -1.06 -5.03 121.76 112.04 2wb1 s ALA 627 Ca -0.10 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.54 2wb1 s ALA 627 Cb 0.25 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 20.21 2wb1 s ALA 627 CO 0.80 -0.03 -0.02 -0.47 0.00 0.00 0.00 175.76 176.04 2wb1 s TYR 628 N -1.58 3.48 -0.11 0.00 5.04 -1.26 -4.96 117.35 117.95 2wb1 s TYR 628 Ca 0.53 -2.67 -0.09 0.00 -2.44 0.00 0.00 57.07 52.40 2wb1 s TYR 628 Cb -0.22 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 2wb1 s TYR 628 CO 0.27 -0.91 0.19 0.08 -1.34 0.00 0.00 175.55 173.84 2wb1 s VAL 629 N 1.01 5.41 -0.03 3.14 1.01 -1.26 -1.97 120.40 127.71 2wb1 s VAL 629 Ca 0.02 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 2wb1 s VAL 629 Cb -0.19 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2wb1 s VAL 629 CO -0.07 0.58 0.70 0.00 0.00 0.00 0.00 175.10 176.31 2wb1 s ALA 630 N -0.82 3.37 0.10 5.51 0.00 0.13 -4.94 121.76 125.11 2wb1 s ALA 630 Ca 0.16 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 2wb1 s ALA 630 Cb -0.13 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 2wb1 s ALA 630 CO 0.05 -0.02 1.42 -0.07 0.00 0.00 0.00 175.76 177.14 2wb1 h LEU 631 N 6.34 0.76 -7.08 0.00 3.38 -1.88 0.11 115.31 116.94 2wb1 h LEU 631 Ca -0.42 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 2wb1 h LEU 631 Cb 1.20 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 2wb1 h LEU 631 CO 0.73 1.08 0.07 -1.61 0.09 0.00 0.00 178.44 178.80 2wb1 s GLU 632 N -4.34 0.83 0.00 1.13 0.41 -1.26 -4.59 118.70 110.87 2wb1 s GLU 632 Ca -0.12 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 2wb1 s GLU 632 Cb 0.09 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.84 2wb1 s GLU 632 CO 0.83 -0.15 0.52 -0.35 -0.49 0.00 0.00 175.26 175.62 2wb1 n PRO 633 N 2.22 0.00 0.03 0.39 -0.04 -1.26 -0.42 135.00 135.91 2wb1 n PRO 633 Ca -0.15 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 2wb1 n PRO 633 Cb 0.56 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2wb1 n PRO 633 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wb1 h SER 634 N 0.00 0.61 -0.84 3.54 4.64 -2.01 -3.33 113.55 116.17 2wb1 h SER 634 Ca 0.00 -0.39 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 2wb1 h SER 634 Cb 0.68 -0.18 -0.37 0.00 -0.31 0.00 0.00 62.40 62.22 2wb1 h SER 634 CO 0.00 1.14 -0.16 -0.90 -0.87 0.00 0.00 176.83 176.04 2wb1 n ASP 635 N -3.88 5.94 -0.78 4.97 5.68 0.43 -4.61 116.55 124.31 2wb1 n ASP 635 Ca -0.05 -3.77 0.13 0.00 -0.50 0.00 0.00 54.79 50.60 2wb1 n ASP 635 Cb 0.70 -0.59 0.27 0.00 -1.14 0.00 0.00 41.12 40.36 2wb1 n ASP 635 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2wb1 n LEU 636 N -0.80 2.44 -0.16 -2.12 7.94 -1.25 -4.74 117.00 118.30 2wb1 n LEU 636 Ca 0.51 -0.84 -0.03 0.00 -1.11 0.00 0.00 56.01 54.54 2wb1 n LEU 636 Cb 0.85 -0.02 0.03 0.00 0.53 0.00 0.00 43.42 44.82 2wb1 n LEU 636 CO 0.55 0.42 0.76 0.74 -1.11 0.00 0.00 177.39 178.74 2wb1 h THR 637 N 3.75 0.47 0.00 1.96 2.02 -1.87 -3.41 112.91 115.83 2wb1 h THR 637 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wb1 h THR 637 Cb 0.80 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2wb1 h THR 637 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 2wb1 n PRO 638 N -5.37 2.90 -2.52 6.66 -0.04 -1.26 -4.76 135.00 130.61 2wb1 n PRO 638 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2wb1 n PRO 638 Cb 0.27 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.75 2wb1 n PRO 638 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wb1 n GLU 639 N 0.00 5.20 -2.17 0.54 4.71 -1.26 -4.64 120.64 123.02 2wb1 n GLU 639 Ca 0.00 -4.46 -0.42 0.00 -0.01 0.00 0.00 57.16 52.27 2wb1 n GLU 639 Cb 0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 31.44 27.93 2wb1 n GLU 639 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2wb1 s HIS 640 N -3.98 3.23 0.05 -0.32 3.76 -1.26 -4.86 115.29 111.91 2wb1 s HIS 640 Ca 0.41 1.06 -0.06 0.00 -0.15 0.00 0.00 55.06 56.33 2wb1 s HIS 640 Cb 0.21 -3.66 -0.29 0.00 1.11 0.00 0.00 32.58 29.94 2wb1 s HIS 640 CO -0.14 -2.22 1.04 1.15 -0.85 0.00 0.00 174.74 173.72 2wb1 h THR 641 N 4.00 1.37 -3.79 1.30 2.02 -1.63 -3.42 112.91 112.76 2wb1 h THR 641 Ca -0.43 -2.94 -0.30 0.00 0.77 0.00 0.00 66.41 63.50 2wb1 h THR 641 Cb 1.21 2.91 -0.18 0.00 -1.74 0.00 0.00 68.15 70.35 2wb1 h THR 641 CO 0.82 0.86 -0.73 -1.00 0.37 0.00 0.00 175.52 175.85 2wb1 s HIS 642 N -2.64 0.98 -0.10 3.16 3.76 -1.25 -0.24 115.29 118.96 2wb1 s HIS 642 Ca -0.06 -0.66 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2wb1 s HIS 642 Cb 0.07 -0.55 -0.00 0.00 1.11 0.00 0.00 32.58 33.21 2wb1 s HIS 642 CO 0.88 -0.03 -0.22 -1.17 -0.85 0.00 0.00 174.74 173.35 2wb1 s LEU 643 N -2.35 2.21 0.27 0.89 0.20 -0.34 0.22 118.68 119.77 2wb1 s LEU 643 Ca 0.03 -0.51 -0.30 0.00 0.69 0.00 0.00 54.13 54.04 2wb1 s LEU 643 Cb -0.03 -1.45 -0.10 0.00 -0.43 0.00 0.00 46.19 44.18 2wb1 s LEU 643 CO -0.00 0.17 1.44 -1.61 -0.29 0.00 0.00 176.35 176.06 2wb1 s GLU 644 N 0.31 4.25 -0.07 1.98 0.41 0.39 -1.89 118.70 124.09 2wb1 s GLU 644 Ca -0.17 2.34 -0.25 0.00 -0.41 0.00 0.00 54.97 56.48 2wb1 s GLU 644 Cb -0.17 -3.09 -0.20 0.00 -1.78 0.00 0.00 34.13 28.89 2wb1 s GLU 644 CO 0.08 -0.42 0.98 0.82 -0.49 0.00 0.00 175.26 176.23 2wb1 h ILE 645 N 3.43 1.32 -1.58 -1.63 2.04 -1.90 -3.46 117.51 115.73 2wb1 h ILE 645 Ca -0.47 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.89 2wb1 h ILE 645 Cb 1.22 2.25 -0.25 0.00 -0.74 0.00 0.00 36.82 39.30 2wb1 h ILE 645 CO 0.76 0.36 -0.35 0.86 0.00 0.00 0.00 178.15 179.77 2wb1 s TRP 646 N -3.37 -1.20 0.21 1.37 -0.00 -1.26 -4.78 118.94 109.91 2wb1 s TRP 646 Ca -0.15 1.41 -0.09 0.00 -0.00 0.00 0.00 56.10 57.26 2wb1 s TRP 646 Cb -0.00 0.35 0.29 0.00 -0.00 0.00 0.00 33.47 34.11 2wb1 s TRP 646 CO 0.61 -0.76 1.74 0.77 -0.00 0.00 0.00 176.95 179.31 2wb1 h SER 647 N 8.09 0.23 0.00 5.86 0.02 -1.88 -1.08 113.55 124.79 2wb1 h SER 647 Ca -0.21 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2wb1 h SER 647 Cb 1.15 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2wb1 h SER 647 CO 0.24 0.14 0.00 -2.65 -1.14 0.00 0.00 176.83 173.41 2wb1 n PRO 648 N -4.99 0.49 -0.03 3.45 -0.02 -1.26 -0.55 135.00 132.09 2wb1 n PRO 648 Ca 0.09 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.70 2wb1 n PRO 648 Cb 0.28 -1.03 0.48 0.00 -0.02 0.00 0.00 33.50 33.21 2wb1 n PRO 648 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wb1 n ALA 649 N -0.42 2.56 -0.21 3.55 0.00 -0.41 -3.79 120.51 121.78 2wb1 n ALA 649 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.94 2wb1 n ALA 649 Cb 0.01 -1.14 0.17 0.00 0.00 0.00 0.00 19.45 18.49 2wb1 n ALA 649 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wb1 h ILE 650 N 2.28 1.23 -4.19 0.00 1.08 -0.99 -3.31 117.51 113.60 2wb1 h ILE 650 Ca 0.00 -0.66 -0.45 0.00 -0.39 0.00 0.00 64.86 63.36 2wb1 h ILE 650 Cb 0.49 0.34 0.14 0.00 -3.07 0.00 0.00 36.82 34.72 2wb1 h ILE 650 CO 0.00 0.27 0.32 -0.76 -0.69 0.00 0.00 178.15 177.29 2wb1 s LEU 651 N -9.64 2.06 0.48 1.44 1.43 -1.25 -4.35 118.68 108.85 2wb1 s LEU 651 Ca -0.11 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 2wb1 s LEU 651 Cb 0.16 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.35 2wb1 s LEU 651 CO 0.81 -2.64 0.46 -0.83 0.23 0.00 0.00 176.35 174.37 2wb1 s GLY 652 N -4.22 2.15 0.08 -3.19 0.00 -1.26 -0.72 107.32 100.15 2wb1 s GLY 652 Ca 0.66 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 2wb1 s GLY 652 CO 0.53 -1.77 0.94 1.39 0.00 0.00 0.00 173.10 174.19 2wb1 n ILE 653 N -1.73 -0.34 0.20 0.90 -0.00 -1.26 -1.50 119.36 115.63 2wb1 n ILE 653 Ca 0.04 1.46 -0.13 0.00 -0.00 0.00 0.00 62.75 64.12 2wb1 n ILE 653 Cb 0.62 -1.83 -0.08 0.00 -0.00 0.00 0.00 39.64 38.35 2wb1 n ILE 653 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2wb1 h THR 654 N 0.00 0.53 0.00 1.39 2.02 -1.94 -2.91 112.91 112.00 2wb1 h THR 654 Ca 0.08 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wb1 h THR 654 Cb 0.20 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2wb1 h THR 654 CO -0.46 0.08 0.50 0.00 0.37 0.00 0.00 175.52 176.01 2wb1 h ALA 655 N -0.44 1.49 -0.00 6.16 0.00 -1.79 0.16 119.26 124.84 2wb1 h ALA 655 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wb1 h ALA 655 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wb1 h ALA 655 CO 0.09 -0.49 -0.02 0.43 0.00 0.00 0.00 179.25 179.26 2wb1 n SER 656 N -2.68 0.09 0.13 0.00 7.64 -0.56 -3.26 113.62 114.98 2wb1 n SER 656 Ca -0.01 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 59.66 2wb1 n SER 656 Cb 0.54 -0.21 0.28 0.00 -1.01 0.00 0.00 64.21 63.80 2wb1 n SER 656 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2wb1 h ILE 657 N 0.11 0.00 -3.17 0.44 5.03 -0.79 -3.41 117.51 115.71 2wb1 h ILE 657 Ca 0.00 -0.67 -0.56 0.00 -0.12 0.00 0.00 64.86 63.51 2wb1 h ILE 657 Cb 0.27 1.58 -0.03 0.00 -3.03 0.00 0.00 36.82 35.61 2wb1 h ILE 657 CO 0.00 0.00 0.64 -0.63 -0.68 0.00 0.00 178.15 177.48 2wb1 s ILE 658 N -3.16 4.58 0.33 -0.67 1.01 -1.20 -4.78 121.20 117.31 2wb1 s ILE 658 Ca 0.08 1.87 -0.25 0.00 0.00 0.00 0.00 60.65 62.36 2wb1 s ILE 658 Cb 0.10 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 2wb1 s ILE 658 CO 0.65 -0.02 0.92 -2.16 0.00 0.00 0.00 174.94 174.33 2wb1 s PRO 659 N 2.22 4.49 -0.86 2.79 0.04 -1.26 -4.04 135.00 138.38 2wb1 s PRO 659 Ca 0.51 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 2wb1 s PRO 659 Cb -0.20 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.67 2wb1 s PRO 659 CO 0.18 0.24 0.48 0.66 0.04 0.00 0.00 177.00 178.60 2wb1 n TYR 660 N 0.37 -0.98 -0.01 0.56 4.02 -1.09 -4.79 117.16 115.24 2wb1 n TYR 660 Ca 0.02 0.04 -0.03 0.00 -0.01 0.00 0.00 57.90 57.93 2wb1 n TYR 660 Cb 0.51 -1.96 0.22 0.00 -0.02 0.00 0.00 39.34 38.09 2wb1 n TYR 660 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2wb1 h PRO 661 N -0.99 0.56 -2.00 -0.72 0.11 -1.80 -3.16 132.00 123.99 2wb1 h PRO 661 Ca -0.51 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.42 2wb1 h PRO 661 Cb 1.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wb1 h PRO 661 CO 0.37 0.68 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.97 2wb1 n GLU 662 N -4.18 0.99 0.00 1.05 -0.00 -1.26 -2.01 120.64 115.22 2wb1 n GLU 662 Ca 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2wb1 n GLU 662 Cb 0.34 -1.07 0.00 0.00 -0.00 0.00 0.00 31.44 30.71 2wb1 n GLU 662 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wb1 n HIS 663 N 1.57 0.00 -4.00 -1.84 8.25 -1.19 -5.04 115.22 112.97 2wb1 n HIS 663 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 2wb1 n HIS 663 Cb 0.49 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 2wb1 n HIS 663 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wb1 s ASN 664 N 0.00 6.01 0.57 0.41 0.01 -0.85 -3.62 114.94 117.46 2wb1 s ASN 664 Ca 0.00 0.05 -0.19 0.00 -0.71 0.00 0.00 52.86 52.00 2wb1 s ASN 664 Cb 0.00 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 2wb1 s ASN 664 CO 0.00 0.05 1.20 -1.58 -1.51 0.00 0.00 177.10 175.26 2wb1 s GLN 665 N -3.22 3.12 0.13 -0.60 0.74 -1.08 -4.90 119.66 113.85 2wb1 s GLN 665 Ca 0.33 1.80 -0.22 0.00 0.05 0.00 0.00 55.36 57.33 2wb1 s GLN 665 Cb -0.11 -2.00 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 2wb1 s GLN 665 CO 0.26 -1.08 1.67 1.03 -0.55 0.00 0.00 175.29 176.63 2wb1 h SER 666 N 1.08 -0.42 -0.57 6.67 0.87 -1.94 -2.43 113.55 116.81 2wb1 h SER 666 Ca -0.50 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2wb1 h SER 666 Cb 1.29 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.43 2wb1 h SER 666 CO 0.56 -0.18 0.28 1.55 -0.53 0.00 0.00 176.83 178.52 2wb1 h PRO 667 N -0.16 0.81 -0.73 2.24 0.13 -1.98 -2.83 132.00 129.49 2wb1 h PRO 667 Ca 0.09 -0.11 0.17 0.00 -0.87 0.00 0.00 66.00 65.28 2wb1 h PRO 667 Cb 0.29 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.23 2wb1 h PRO 667 CO -0.23 0.65 0.50 0.00 -0.23 0.00 0.00 178.00 178.70 2wb1 h ARG 668 N 0.77 0.23 0.00 0.86 2.47 -1.77 0.50 114.38 117.44 2wb1 h ARG 668 Ca 0.20 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 2wb1 h ARG 668 Cb 0.10 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2wb1 h ARG 668 CO -0.03 0.16 -0.49 -0.91 0.56 0.00 0.00 179.97 179.26 2wb1 h ASN 669 N 0.24 0.00 0.14 7.04 2.35 -1.23 -2.66 115.58 121.47 2wb1 h ASN 669 Ca 0.36 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.84 2wb1 h ASN 669 Cb 1.06 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.45 2wb1 h ASN 669 CO -0.08 0.49 -1.14 0.74 -1.65 0.00 0.00 177.43 175.79 2wb1 h THR 670 N 0.00 1.34 -0.08 2.81 2.02 0.01 -0.89 112.91 118.12 2wb1 h THR 670 Ca -0.00 -2.48 0.04 0.00 0.77 0.00 0.00 66.41 64.74 2wb1 h THR 670 Cb 1.18 2.86 -0.06 0.00 -1.74 0.00 0.00 68.15 70.39 2wb1 h THR 670 CO 0.06 0.74 -0.33 1.88 0.37 0.00 0.00 175.52 178.24 2wb1 h TYR 671 N 0.08 -0.93 -0.71 3.16 -1.99 -0.81 -0.81 116.97 114.96 2wb1 h TYR 671 Ca -0.18 0.04 0.09 0.00 2.00 0.00 0.00 58.73 60.67 2wb1 h TYR 671 Cb 1.85 0.42 -0.05 0.00 2.00 0.00 0.00 36.73 40.96 2wb1 h TYR 671 CO 0.14 -0.42 0.47 0.37 -0.00 0.00 0.00 178.16 178.72 2wb1 h GLN 672 N -0.44 0.62 -0.76 4.88 5.75 -1.54 -2.26 115.11 121.36 2wb1 h GLN 672 Ca 0.08 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2wb1 h GLN 672 Cb 0.56 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2wb1 h GLN 672 CO -0.33 0.41 0.27 0.77 -2.65 0.00 0.00 178.83 177.30 2wb1 h SER 673 N 0.64 1.08 -0.27 -0.69 0.02 0.20 -1.59 113.55 112.94 2wb1 h SER 673 Ca 0.32 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wb1 h SER 673 Cb 0.41 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2wb1 h SER 673 CO -0.11 0.98 0.00 0.00 -1.14 0.00 0.00 176.83 176.56 2wb1 n ALA 674 N -2.44 2.66 -0.07 3.77 0.00 -0.58 -4.11 120.51 119.73 2wb1 n ALA 674 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2wb1 n ALA 674 Cb 0.21 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 2wb1 n ALA 674 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wb1 n MET 675 N 0.33 0.32 0.28 0.00 0.00 -0.67 -4.24 117.12 113.14 2wb1 n MET 675 Ca 0.10 0.09 0.15 0.00 0.00 0.00 0.00 57.70 58.04 2wb1 n MET 675 Cb 0.38 -1.19 0.82 0.00 0.00 0.00 0.00 33.22 33.23 2wb1 n MET 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wb1 h ALA 676 N -0.16 1.27 0.00 -5.12 0.00 -1.53 0.73 119.26 114.45 2wb1 h ALA 676 Ca -0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wb1 h ALA 676 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wb1 h ALA 676 CO -0.10 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2wb1 n LYS 677 N -3.57 0.10 0.00 0.00 5.02 -1.26 -3.05 118.16 115.40 2wb1 n LYS 677 Ca -0.02 0.19 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 2wb1 n LYS 677 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2wb1 n LYS 677 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wb1 n GLN 678 N -1.40 3.45 -1.44 1.97 6.02 0.23 -4.78 117.38 121.42 2wb1 n GLN 678 Ca 0.05 -0.29 -0.29 0.00 -0.01 0.00 0.00 57.00 56.47 2wb1 n GLN 678 Cb 0.16 -0.86 0.13 0.00 1.02 0.00 0.00 30.24 30.69 2wb1 n GLN 678 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wb1 s ALA 679 N -1.10 1.75 -0.02 -1.58 0.00 -1.11 -2.12 121.76 117.59 2wb1 s ALA 679 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2wb1 s ALA 679 Cb 0.04 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2wb1 s ALA 679 CO 0.15 -2.22 -0.23 -0.51 0.00 0.00 0.00 175.76 172.95 2wb1 s LEU 680 N -6.05 2.22 0.00 0.00 1.43 -1.06 -4.17 118.68 111.05 2wb1 s LEU 680 Ca 0.63 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2wb1 s LEU 680 Cb -0.16 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.68 2wb1 s LEU 680 CO 0.55 0.32 0.00 0.61 0.23 0.00 0.00 176.35 178.06 2wb1 n GLY 681 N 2.34 1.43 3.38 -3.19 0.00 -1.26 -3.71 105.19 104.18 2wb1 n GLY 681 Ca -0.16 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2wb1 n GLY 681 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wb1 s LEU 682 N 0.00 2.85 -0.10 0.99 2.96 -1.25 -0.46 118.68 123.67 2wb1 s LEU 682 Ca 0.00 -0.31 0.18 0.00 -0.22 0.00 0.00 54.13 53.78 2wb1 s LEU 682 Cb 0.00 -1.67 -0.27 0.00 0.50 0.00 0.00 46.19 44.75 2wb1 s LEU 682 CO 0.00 0.12 0.27 0.00 -1.32 0.00 0.00 176.35 175.42 2wb1 n TYR 683 N 3.82 0.00 -3.62 5.38 0.18 -1.26 -3.48 117.16 118.18 2wb1 n TYR 683 Ca -0.18 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.59 2wb1 n TYR 683 Cb 0.52 -0.65 -0.06 0.00 -0.38 0.00 0.00 39.34 38.77 2wb1 n TYR 683 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wb1 s ALA 684 N -2.96 -2.41 0.61 -3.48 0.00 -1.26 -4.16 121.76 108.10 2wb1 s ALA 684 Ca -0.08 2.14 0.32 0.00 0.00 0.00 0.00 51.96 54.34 2wb1 s ALA 684 Cb 0.09 -1.80 1.87 0.00 0.00 0.00 0.00 23.12 23.28 2wb1 s ALA 684 CO 0.79 -0.39 2.20 0.00 0.00 0.00 0.00 175.76 178.35 2wb1 h ALA 685 N 5.98 1.51 -0.33 0.00 0.00 -1.96 0.56 119.26 125.02 2wb1 h ALA 685 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wb1 h ALA 685 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wb1 h ALA 685 CO 0.20 -0.14 0.00 0.27 0.00 0.00 0.00 179.25 179.58 2wb1 n ASN 686 N -3.60 2.16 0.16 0.00 0.23 -1.26 -4.47 115.26 108.49 2wb1 n ASN 686 Ca -0.01 -1.90 0.14 0.00 -0.53 0.00 0.00 54.58 52.28 2wb1 n ASN 686 Cb 0.20 -0.22 0.44 0.00 -2.08 0.00 0.00 39.78 38.12 2wb1 n ASN 686 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2wb1 h TYR 687 N 2.56 0.00 0.05 -2.53 -0.00 -0.25 0.45 116.97 117.24 2wb1 h TYR 687 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wb1 h TYR 687 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.31 2wb1 h TYR 687 CO 0.22 0.00 -0.02 0.37 -0.00 0.00 0.00 178.16 178.73 2wb1 h GLN 688 N 0.00 -0.06 -0.00 0.10 5.75 -1.82 -3.06 115.11 116.02 2wb1 h GLN 688 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2wb1 h GLN 688 Cb 1.73 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.29 2wb1 h GLN 688 CO -0.00 0.02 -0.28 1.28 -2.65 0.00 0.00 178.83 177.20 2wb1 n LEU 689 N -5.08 0.61 -4.69 -2.39 4.32 0.15 -4.93 117.00 104.99 2wb1 n LEU 689 Ca -0.08 -0.03 -0.30 0.00 -0.02 0.00 0.00 56.01 55.58 2wb1 n LEU 689 Cb 0.08 -0.22 0.15 0.00 -1.62 0.00 0.00 43.42 41.81 2wb1 n LEU 689 CO 0.33 0.13 0.65 -0.13 -1.22 0.00 0.00 177.39 177.15 2wb1 s ARG 690 N -2.72 1.07 -0.26 3.23 1.81 -0.88 -5.01 118.95 116.19 2wb1 s ARG 690 Ca 0.20 0.99 0.20 0.00 -1.72 0.00 0.00 55.73 55.39 2wb1 s ARG 690 Cb 0.19 -1.77 0.50 0.00 -0.45 0.00 0.00 34.95 33.41 2wb1 s ARG 690 CO 0.57 -2.42 1.13 -2.37 -0.68 0.00 0.00 175.30 171.53 2wb1 n THR 691 N -4.03 1.49 -2.25 0.02 5.66 -1.26 -5.03 114.28 108.89 2wb1 n THR 691 Ca 0.08 -3.12 -0.34 0.00 -3.05 0.00 0.00 64.05 57.62 2wb1 n THR 691 Cb 0.54 0.77 -0.01 0.00 -1.55 0.00 0.00 70.33 70.09 2wb1 n THR 691 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2wb1 s ASP 692 N -3.69 5.93 0.07 1.09 -0.00 -1.26 -4.98 116.67 113.84 2wb1 s ASP 692 Ca 0.32 1.93 -0.37 0.00 -0.00 0.00 0.00 52.55 54.44 2wb1 s ASP 692 Cb 0.34 -2.55 -0.19 0.00 -0.00 0.00 0.00 42.92 40.52 2wb1 s ASP 692 CO -0.03 -1.06 1.56 0.74 -0.00 0.00 0.00 175.17 176.38 2wb1 h THR 693 N 0.96 0.00 -3.21 -1.27 2.02 -1.94 -3.41 112.91 106.05 2wb1 h THR 693 Ca -0.48 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.46 2wb1 h THR 693 Cb 1.23 0.00 -0.31 0.00 -1.74 0.00 0.00 68.15 67.32 2wb1 h THR 693 CO 0.58 0.00 -0.58 0.00 0.37 0.00 0.00 175.52 175.89 2wb1 s ARG 694 N -5.89 0.11 0.08 6.66 1.70 -1.24 -2.46 118.95 117.91 2wb1 s ARG 694 Ca -0.19 0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 55.33 2wb1 s ARG 694 Cb 0.03 -0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 2wb1 s ARG 694 CO 0.60 -0.17 0.33 0.00 -1.08 0.00 0.00 175.30 174.98 2wb1 s ALA 695 N 1.22 -0.74 0.08 7.88 0.00 -1.10 -4.87 121.76 124.24 2wb1 s ALA 695 Ca -0.09 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.87 2wb1 s ALA 695 Cb -0.11 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2wb1 s ALA 695 CO -0.06 -0.52 -0.22 -1.01 0.00 0.00 0.00 175.76 173.94 2wb1 s HIS 696 N -3.24 1.90 -0.13 0.00 3.76 -1.26 -1.09 115.29 115.23 2wb1 s HIS 696 Ca -0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.49 2wb1 s HIS 696 Cb 0.01 -1.07 0.04 0.00 1.11 0.00 0.00 32.58 32.67 2wb1 s HIS 696 CO -0.08 0.19 0.02 -1.17 -0.85 0.00 0.00 174.74 172.85 2wb1 s LEU 697 N -1.67 0.82 -0.26 0.89 1.98 -1.12 -4.49 118.68 114.83 2wb1 s LEU 697 Ca 0.08 -0.45 -0.29 0.00 -2.89 0.00 0.00 54.13 50.58 2wb1 s LEU 697 Cb -0.10 -0.49 0.01 0.00 0.66 0.00 0.00 46.19 46.28 2wb1 s LEU 697 CO 0.04 -0.26 1.06 -0.22 -1.89 0.00 0.00 176.35 175.08 2wb1 s LEU 698 N 1.94 4.03 0.17 -0.68 2.96 0.39 -1.37 118.68 126.13 2wb1 s LEU 698 Ca 0.02 1.26 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 2wb1 s LEU 698 Cb -0.15 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.12 2wb1 s LEU 698 CO -0.07 -0.76 1.75 0.45 -1.32 0.00 0.00 176.35 176.41 2wb1 h HIS 699 N 7.73 0.30 -3.37 5.38 3.86 -0.22 -3.29 115.15 125.54 2wb1 h HIS 699 Ca -0.20 0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.40 2wb1 h HIS 699 Cb 1.06 -0.07 -0.40 0.00 1.06 0.00 0.00 27.41 29.06 2wb1 h HIS 699 CO 0.78 0.12 -0.69 0.71 0.86 0.00 0.00 177.93 179.71 2wb1 s TYR 700 N -6.14 2.98 1.01 2.45 2.02 -1.26 -5.10 117.35 113.30 2wb1 s TYR 700 Ca -0.13 -2.86 -0.13 0.00 -0.37 0.00 0.00 57.07 53.57 2wb1 s TYR 700 Cb 0.13 -2.58 0.19 0.00 -0.40 0.00 0.00 41.96 39.31 2wb1 s TYR 700 CO 0.72 -0.82 1.11 -1.25 -1.57 0.00 0.00 175.55 173.75 2wb1 s PRO 701 N 0.32 0.35 -0.17 -1.71 0.04 -1.24 -4.78 135.00 127.81 2wb1 s PRO 701 Ca 0.15 0.33 -0.26 0.00 0.04 0.00 0.00 61.00 61.26 2wb1 s PRO 701 Cb -0.23 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2wb1 s PRO 701 CO -0.04 -2.75 0.66 -0.65 0.04 0.00 0.00 177.00 174.26 2wb1 s GLN 702 N -5.14 0.88 0.78 4.56 -0.21 -0.82 -4.99 119.66 114.72 2wb1 s GLN 702 Ca 0.66 0.63 -0.13 0.00 0.02 0.00 0.00 55.36 56.55 2wb1 s GLN 702 Cb -0.16 0.42 0.07 0.00 1.00 0.00 0.00 33.01 34.34 2wb1 s GLN 702 CO 0.56 -0.19 1.15 0.50 -2.12 0.00 0.00 175.29 175.19 2wb1 s ARG 703 N -0.30 1.95 -0.25 2.91 3.52 -1.26 -4.50 118.95 121.01 2wb1 s ARG 703 Ca -0.05 1.51 -0.22 0.00 -0.13 0.00 0.00 55.73 56.84 2wb1 s ARG 703 Cb -0.03 -1.84 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 2wb1 s ARG 703 CO 0.04 -1.93 0.72 -1.25 -0.81 0.00 0.00 175.30 172.08 2wb1 s PRO 704 N -4.37 4.13 0.34 5.12 0.04 -1.26 -4.31 135.00 134.69 2wb1 s PRO 704 Ca 0.68 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 2wb1 s PRO 704 Cb -0.23 -3.65 -0.09 0.00 0.04 0.00 0.00 34.50 30.56 2wb1 s PRO 704 CO 0.51 -0.47 1.11 -0.51 0.04 0.00 0.00 177.00 177.68 2wb1 s LEU 705 N 2.67 4.36 -0.16 -3.56 1.43 -1.26 -4.28 118.68 117.88 2wb1 s LEU 705 Ca 0.30 2.25 -0.03 0.00 -1.03 0.00 0.00 54.13 55.62 2wb1 s LEU 705 Cb -0.15 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.22 2wb1 s LEU 705 CO 0.08 -0.38 0.06 0.52 0.23 0.00 0.00 176.35 176.86 2wb1 n VAL 706 N 0.59 -8.51 -4.20 -1.59 0.31 0.55 -4.71 118.33 100.77 2wb1 n VAL 706 Ca 0.02 1.35 -0.10 0.00 -0.01 0.00 0.00 64.34 65.60 2wb1 n VAL 706 Cb 0.46 -5.64 -0.03 0.00 -0.91 0.00 0.00 33.84 27.72 2wb1 n VAL 706 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 n GLN 707 N 0.66 1.01 -4.36 5.55 10.64 -0.13 -4.87 117.38 125.89 2wb1 n GLN 707 Ca -0.10 -1.26 -0.25 0.00 -1.83 0.00 0.00 57.00 53.55 2wb1 n GLN 707 Cb 0.15 0.59 -0.13 0.00 -0.86 0.00 0.00 30.24 29.99 2wb1 n GLN 707 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2wb1 s THR 708 N -1.97 1.82 0.26 -0.39 2.01 -1.26 0.23 115.64 116.34 2wb1 s THR 708 Ca 0.05 -1.54 -0.04 0.00 0.31 0.00 0.00 61.69 60.47 2wb1 s THR 708 Cb 0.00 -1.64 0.27 0.00 0.01 0.00 0.00 72.50 71.14 2wb1 s THR 708 CO 0.04 0.01 1.91 0.03 -0.69 0.00 0.00 174.62 175.92 2wb1 h ARG 709 N 4.15 1.23 0.00 4.92 3.08 -1.93 -1.04 114.38 124.79 2wb1 h ARG 709 Ca -0.47 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 2wb1 h ARG 709 Cb 1.17 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2wb1 h ARG 709 CO 0.40 0.82 -0.18 0.00 -1.07 0.00 0.00 179.97 179.94 2wb1 h ALA 710 N 1.42 1.21 -0.94 0.04 0.00 -1.97 -3.23 119.26 115.80 2wb1 h ALA 710 Ca 0.39 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.41 2wb1 h ALA 710 Cb -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 2wb1 h ALA 710 CO -0.12 0.22 0.40 1.25 0.00 0.00 0.00 179.25 181.01 2wb1 h LEU 711 N 0.00 0.27 -0.06 0.00 7.12 -1.41 -2.11 115.31 119.11 2wb1 h LEU 711 Ca -0.00 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2wb1 h LEU 711 Cb 0.49 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 2wb1 h LEU 711 CO 0.02 -0.12 -0.05 -0.78 -0.13 0.00 0.00 178.44 177.39 2wb1 h ASP 712 N 0.30 0.15 -0.15 1.25 3.58 -1.70 -3.07 116.42 116.78 2wb1 h ASP 712 Ca 0.63 -0.47 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 2wb1 h ASP 712 Cb 1.33 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 2wb1 h ASP 712 CO -0.61 0.58 -0.16 0.40 -2.88 0.00 0.00 179.24 176.57 2wb1 h ILE 713 N -0.29 1.24 -0.40 2.25 1.08 -1.63 -2.59 117.51 117.18 2wb1 h ILE 713 Ca 0.01 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 2wb1 h ILE 713 Cb 0.54 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 2wb1 h ILE 713 CO 0.01 0.36 0.22 0.40 -0.69 0.00 0.00 178.15 178.46 2wb1 h ILE 714 N 0.49 1.12 0.00 -0.67 2.04 -1.43 -3.47 117.51 115.59 2wb1 h ILE 714 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2wb1 h ILE 714 Cb 0.56 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2wb1 h ILE 714 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2wb1 n GLY 715 N -1.36 0.45 0.17 5.37 0.00 -0.97 -4.99 105.19 103.84 2wb1 n GLY 715 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 715 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wb1 h TYR 716 N 0.00 0.12 0.00 1.61 3.20 -1.77 -2.22 116.97 117.91 2wb1 h TYR 716 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wb1 h TYR 716 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2wb1 h TYR 716 CO 0.00 0.01 0.23 1.15 -1.64 0.00 0.00 178.16 177.91 2wb1 h THR 717 N 0.20 0.00 0.00 1.81 2.02 -1.86 0.14 112.91 115.23 2wb1 h THR 717 Ca 0.19 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 67.03 2wb1 h THR 717 Cb 0.22 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2wb1 h THR 717 CO -0.25 0.00 -2.13 0.59 0.37 0.00 0.00 175.52 174.10 2wb1 n ASN 718 N -2.82 0.49 -3.56 4.18 3.02 -0.87 -4.81 115.26 110.89 2wb1 n ASN 718 Ca -0.02 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2wb1 n ASN 718 Cb 0.28 0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 39.80 2wb1 n ASN 718 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2wb1 s ARG 719 N -2.53 1.01 0.00 3.52 0.52 0.48 -5.06 118.95 116.88 2wb1 s ARG 719 Ca -0.10 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.25 2wb1 s ARG 719 Cb 0.07 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.72 2wb1 s ARG 719 CO 0.81 -1.24 0.00 -0.35 0.02 0.00 0.00 175.30 174.55 2wb1 n PRO 720 N 3.48 1.10 -0.79 3.54 -0.04 -1.07 -4.50 135.00 136.73 2wb1 n PRO 720 Ca 0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2wb1 n PRO 720 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2wb1 n PRO 720 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wb1 n ALA 721 N -3.00 2.19 0.00 0.55 0.00 -1.26 -3.81 120.51 115.17 2wb1 n ALA 721 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2wb1 n ALA 721 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2wb1 n ALA 721 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wb1 n GLY 722 N 0.13 -0.58 3.15 0.00 0.00 -1.24 -3.80 105.19 102.85 2wb1 n GLY 722 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2wb1 n GLY 722 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 723 N -4.00 1.40 -0.66 1.61 -0.87 -0.61 -1.95 114.94 109.86 2wb1 s ASN 723 Ca 0.00 -0.67 -0.27 0.00 -1.57 0.00 0.00 52.86 50.35 2wb1 s ASN 723 Cb 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 41.25 41.23 2wb1 s ASN 723 CO 0.00 -0.17 1.49 0.20 -2.57 0.00 0.00 177.10 176.04 2wb1 s ASN 724 N -1.96 5.88 0.09 -1.22 0.01 -1.26 -0.65 114.94 115.83 2wb1 s ASN 724 Ca -0.01 -0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 2wb1 s ASN 724 Cb -0.07 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2wb1 s ASN 724 CO 0.01 -1.98 0.21 0.00 -1.51 0.00 0.00 177.10 173.82 2wb1 s ALA 725 N 6.84 3.92 -0.44 0.60 0.00 -0.58 -4.90 121.76 127.20 2wb1 s ALA 725 Ca 0.48 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2wb1 s ALA 725 Cb -0.10 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.31 2wb1 s ALA 725 CO 0.19 0.73 1.13 0.42 0.00 0.00 0.00 175.76 178.22 2wb1 s ILE 726 N -1.56 4.28 -0.19 0.00 1.09 -1.26 -0.57 121.20 122.98 2wb1 s ILE 726 Ca 0.34 1.36 -0.05 0.00 -1.10 0.00 0.00 60.65 61.20 2wb1 s ILE 726 Cb -0.12 -4.55 -0.03 0.00 -1.06 0.00 0.00 42.46 36.70 2wb1 s ILE 726 CO 0.27 -0.87 -0.01 -0.22 -0.10 0.00 0.00 174.94 174.02 2wb1 s LEU 727 N 4.26 3.27 -0.10 2.97 2.96 0.85 -1.03 118.68 131.86 2wb1 s LEU 727 Ca 0.47 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2wb1 s LEU 727 Cb -0.09 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2wb1 s LEU 727 CO 0.27 0.09 -0.07 0.00 -1.32 0.00 0.00 176.35 175.32 2wb1 s ALA 728 N 0.86 2.91 -1.14 5.97 0.00 -0.92 -2.20 121.76 127.24 2wb1 s ALA 728 Ca 0.01 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 2wb1 s ALA 728 Cb -0.14 -1.31 0.23 0.00 0.00 0.00 0.00 23.12 21.90 2wb1 s ALA 728 CO 0.02 0.41 1.23 0.08 0.00 0.00 0.00 175.76 177.50 2wb1 s VAL 729 N -0.27 5.60 -0.04 0.00 1.01 -1.08 -1.74 120.40 123.87 2wb1 s VAL 729 Ca 0.04 -3.06 0.05 0.00 0.00 0.00 0.00 61.98 59.01 2wb1 s VAL 729 Cb -0.13 -4.72 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2wb1 s VAL 729 CO 0.03 -1.36 -0.20 -0.63 0.00 0.00 0.00 175.10 172.94 2wb1 s ILE 730 N -0.05 2.56 -0.94 2.22 1.01 -1.17 -4.49 121.20 120.33 2wb1 s ILE 730 Ca 0.35 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 2wb1 s ILE 730 Cb -0.07 -1.96 0.10 0.00 0.01 0.00 0.00 42.46 40.54 2wb1 s ILE 730 CO -0.05 0.58 1.23 -0.94 0.00 0.00 0.00 174.94 175.77 2wb1 s SER 731 N -0.58 6.54 0.19 3.58 1.04 -1.26 -4.45 113.70 118.76 2wb1 s SER 731 Ca 0.08 -1.73 0.05 0.00 0.48 0.00 0.00 55.95 54.83 2wb1 s SER 731 Cb -0.11 -2.46 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2wb1 s SER 731 CO 0.00 -1.26 -0.06 0.12 0.98 0.00 0.00 173.24 173.02 2wb1 s PHE 732 N 3.65 1.47 0.00 5.02 5.36 -1.26 -5.07 117.98 127.15 2wb1 s PHE 732 Ca 0.37 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 2wb1 s PHE 732 Cb -0.04 -0.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.85 2wb1 s PHE 732 CO -0.08 0.07 0.00 -2.37 -1.46 0.00 0.00 175.22 171.38 2wb1 n THR 733 N -0.33 0.00 0.00 0.12 5.66 -1.26 -3.97 114.28 114.50 2wb1 n THR 733 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2wb1 n THR 733 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2wb1 n THR 733 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wb1 n GLY 734 N 0.00 -0.92 0.00 1.09 0.00 -1.26 -4.95 105.19 99.15 2wb1 n GLY 734 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 734 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wb1 n TYR 735 N 0.00 0.00 -3.39 1.61 4.19 -1.25 -4.75 117.16 113.57 2wb1 n TYR 735 Ca 0.00 0.00 -0.45 0.00 3.31 0.00 0.00 57.90 60.76 2wb1 n TYR 735 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 2wb1 n TYR 735 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2wb1 s ASN 736 N -0.11 6.33 0.00 2.98 6.03 -1.26 -4.32 114.94 124.60 2wb1 s ASN 736 Ca 0.00 -2.39 0.00 0.00 -1.03 0.00 0.00 52.86 49.44 2wb1 s ASN 736 Cb 0.00 -2.15 0.00 0.00 -3.03 0.00 0.00 41.25 36.07 2wb1 s ASN 736 CO 0.00 -0.64 0.00 0.23 -2.03 0.00 0.00 177.10 174.66 2wb1 n MET 737 N 4.35 0.00 -2.00 3.55 2.81 -1.26 -4.50 117.12 120.08 2wb1 n MET 737 Ca 0.04 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.59 2wb1 n MET 737 Cb 0.43 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.90 2wb1 n MET 737 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wb1 n GLU 738 N -0.81 1.88 -0.48 0.03 -0.58 -1.26 -3.78 120.64 115.63 2wb1 n GLU 738 Ca 0.00 -2.51 0.00 0.00 -0.42 0.00 0.00 57.16 54.23 2wb1 n GLU 738 Cb 0.00 -3.56 0.00 0.00 -0.57 0.00 0.00 31.44 27.31 2wb1 n GLU 738 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2wb1 n ASP 739 N 12.15 -2.62 -4.70 1.62 2.03 -1.26 -4.96 116.55 118.81 2wb1 n ASP 739 Ca 0.46 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.46 2wb1 n ASP 739 Cb 0.45 -1.95 0.14 0.00 -0.72 0.00 0.00 41.12 39.04 2wb1 n ASP 739 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2wb1 s SER 740 N -1.06 3.49 -0.05 1.67 0.15 -1.25 -3.85 113.70 112.80 2wb1 s SER 740 Ca 0.00 2.15 0.01 0.00 0.70 0.00 0.00 55.95 58.81 2wb1 s SER 740 Cb 0.00 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2wb1 s SER 740 CO 0.00 -2.73 -0.07 -0.51 1.20 0.00 0.00 173.24 171.14 2wb1 s ILE 741 N -2.57 0.71 -0.33 6.45 2.07 -0.58 -3.98 121.20 122.98 2wb1 s ILE 741 Ca 0.67 -0.22 -0.07 0.00 -1.41 0.00 0.00 60.65 59.62 2wb1 s ILE 741 Cb -0.23 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.67 2wb1 s ILE 741 CO 0.55 0.27 0.11 -0.51 -1.91 0.00 0.00 174.94 173.45 2wb1 s ILE 742 N 0.93 4.00 0.15 2.00 -1.16 -1.17 -0.59 121.20 125.35 2wb1 s ILE 742 Ca -0.11 -0.90 0.04 0.00 -0.51 0.00 0.00 60.65 59.17 2wb1 s ILE 742 Cb -0.15 -3.17 -0.04 0.00 0.61 0.00 0.00 42.46 39.72 2wb1 s ILE 742 CO 0.00 -0.08 0.20 -0.32 -2.81 0.00 0.00 174.94 171.94 2wb1 s MET 743 N 1.47 3.15 0.00 3.50 -2.45 -0.96 -0.60 119.30 123.42 2wb1 s MET 743 Ca 0.01 -0.72 -0.30 0.00 -1.25 0.00 0.00 55.69 53.42 2wb1 s MET 743 Cb -0.18 -2.80 -0.06 0.00 1.25 0.00 0.00 34.83 33.03 2wb1 s MET 743 CO 0.03 0.51 1.43 1.21 1.05 0.00 0.00 175.02 179.25 2wb1 s ASN 744 N -3.09 6.83 0.09 1.11 3.84 0.20 -2.19 114.94 121.73 2wb1 s ASN 744 Ca 0.33 2.14 -0.11 0.00 0.21 0.00 0.00 52.86 55.42 2wb1 s ASN 744 Cb -0.11 -2.56 -0.19 0.00 -0.55 0.00 0.00 41.25 37.85 2wb1 s ASN 744 CO 0.26 -0.74 1.24 -0.09 -2.79 0.00 0.00 177.10 174.97 2wb1 h ARG 745 N 7.92 0.65 0.00 0.43 2.43 -1.46 -3.20 114.38 121.16 2wb1 h ARG 745 Ca -0.38 -0.67 -0.04 0.00 -0.81 0.00 0.00 59.98 58.07 2wb1 h ARG 745 Cb 1.18 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2wb1 h ARG 745 CO 0.91 1.27 -0.21 0.77 -1.51 0.00 0.00 179.97 181.20 2wb1 h SER 746 N 0.38 0.00 1.52 -3.80 0.02 -1.89 -1.50 113.55 108.28 2wb1 h SER 746 Ca -0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2wb1 h SER 746 Cb 1.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 2wb1 h SER 746 CO 0.19 0.21 -0.47 0.28 -1.14 0.00 0.00 176.83 175.90 2wb1 h SER 747 N 0.00 0.00 -0.16 3.07 0.02 -1.94 -2.18 113.55 112.37 2wb1 h SER 747 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 2wb1 h SER 747 Cb 0.66 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2wb1 h SER 747 CO 0.03 0.47 -0.69 0.58 -1.14 0.00 0.00 176.83 176.07 2wb1 h VAL 748 N 0.00 1.29 -0.02 2.27 2.07 -1.31 0.80 116.25 121.35 2wb1 h VAL 748 Ca -0.00 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 2wb1 h VAL 748 Cb 1.36 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2wb1 h VAL 748 CO 0.06 0.60 -0.25 -0.33 0.02 0.00 0.00 177.57 177.67 2wb1 h GLU 749 N 0.47 0.04 -0.00 1.57 5.08 -1.34 -2.72 114.58 117.68 2wb1 h GLU 749 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wb1 h GLU 749 Cb 1.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2wb1 h GLU 749 CO 0.14 0.29 -0.03 0.54 -1.00 0.00 0.00 179.01 178.95 2wb1 n ARG 750 N -4.23 0.30 0.00 2.33 1.74 -0.82 -4.91 116.66 111.07 2wb1 n ARG 750 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wb1 n ARG 750 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2wb1 n ARG 750 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 751 N 1.37 1.47 3.72 -0.13 0.00 -1.00 -5.05 105.19 105.56 2wb1 n GLY 751 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wb1 n GLY 751 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wb1 n MET 752 N 0.00 2.12 -2.74 1.61 0.00 0.24 -2.86 117.12 115.49 2wb1 n MET 752 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 57.70 58.29 2wb1 n MET 752 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 33.22 30.76 2wb1 n MET 752 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wb1 n TYR 753 N -0.03 -1.55 -3.00 1.12 0.53 -1.26 -4.57 117.16 108.40 2wb1 n TYR 753 Ca 0.05 0.17 -0.41 0.00 -1.02 0.00 0.00 57.90 56.70 2wb1 n TYR 753 Cb 0.39 -3.01 -0.05 0.00 -1.03 0.00 0.00 39.34 35.64 2wb1 n TYR 753 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2wb1 s ARG 754 N -5.35 4.16 0.55 -0.72 0.52 -1.13 -4.14 118.95 112.83 2wb1 s ARG 754 Ca 0.13 0.76 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 2wb1 s ARG 754 Cb -0.07 -3.64 0.03 0.00 0.52 0.00 0.00 34.95 31.80 2wb1 s ARG 754 CO 0.17 -0.45 0.34 -1.54 0.02 0.00 0.00 175.30 173.84 2wb1 s SER 755 N 1.37 4.54 -0.21 0.23 1.04 -0.85 0.55 113.70 120.37 2wb1 s SER 755 Ca 0.31 -1.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.36 2wb1 s SER 755 Cb -0.15 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.55 2wb1 s SER 755 CO 0.08 -1.09 0.20 -0.89 0.98 0.00 0.00 173.24 172.52 2wb1 s THR 756 N -2.80 -0.27 0.36 2.02 2.01 -0.47 -1.94 115.64 114.54 2wb1 s THR 756 Ca 0.28 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 2wb1 s THR 756 Cb -0.02 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.67 2wb1 s THR 756 CO 0.17 -0.29 1.31 0.12 -0.69 0.00 0.00 174.62 175.24 2wb1 s PHE 757 N 2.28 2.97 -0.10 4.92 5.36 -1.06 -2.79 117.98 129.55 2wb1 s PHE 757 Ca 0.07 1.41 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2wb1 s PHE 757 Cb -0.16 -3.68 -0.00 0.00 -0.34 0.00 0.00 43.02 38.84 2wb1 s PHE 757 CO -0.16 -1.94 -0.22 -0.06 -1.46 0.00 0.00 175.22 171.37 2wb1 s PHE 758 N -1.19 2.60 0.34 10.12 0.40 -0.25 -1.60 117.98 128.40 2wb1 s PHE 758 Ca 0.52 -0.98 0.10 0.00 -0.60 0.00 0.00 56.93 55.97 2wb1 s PHE 758 Cb -0.39 -1.73 -0.06 0.00 0.51 0.00 0.00 43.02 41.35 2wb1 s PHE 758 CO 0.52 -0.38 -0.10 0.50 0.70 0.00 0.00 175.22 176.45 2wb1 s ARG 759 N 0.33 1.82 -0.04 0.44 3.52 -0.62 -2.70 118.95 121.70 2wb1 s ARG 759 Ca -0.17 -1.91 -0.04 0.00 -0.13 0.00 0.00 55.73 53.48 2wb1 s ARG 759 Cb -0.18 -1.73 0.02 0.00 -1.56 0.00 0.00 34.95 31.50 2wb1 s ARG 759 CO 0.08 0.17 0.11 -1.17 -0.81 0.00 0.00 175.30 173.68 2wb1 s LEU 760 N -3.60 1.43 0.02 -0.88 0.20 -1.03 -1.49 118.68 113.32 2wb1 s LEU 760 Ca 0.32 0.23 0.08 0.00 0.69 0.00 0.00 54.13 55.45 2wb1 s LEU 760 Cb 0.01 0.37 -0.02 0.00 -0.43 0.00 0.00 46.19 46.12 2wb1 s LEU 760 CO 0.16 -0.06 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.63 2wb1 s TYR 761 N 0.26 2.04 -0.00 5.38 1.51 0.29 -4.99 117.35 121.83 2wb1 s TYR 761 Ca -0.02 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 2wb1 s TYR 761 Cb -0.03 -1.26 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 2wb1 s TYR 761 CO -0.01 0.04 0.71 -1.54 -1.11 0.00 0.00 175.55 173.65 2wb1 s SER 762 N -0.90 -0.58 0.01 2.29 1.04 -1.26 0.47 113.70 114.77 2wb1 s SER 762 Ca 0.09 0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.98 2wb1 s SER 762 Cb -0.09 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2wb1 s SER 762 CO 0.01 -0.67 -0.06 -0.89 0.98 0.00 0.00 173.24 172.61 2wb1 s THR 763 N -1.99 0.42 -0.08 2.02 2.01 -0.87 -5.00 115.64 112.15 2wb1 s THR 763 Ca -0.06 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 2wb1 s THR 763 Cb -0.00 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 2wb1 s THR 763 CO 0.02 -0.04 0.58 -1.61 -0.69 0.00 0.00 174.62 172.87 2wb1 s GLU 764 N -0.55 4.36 -1.25 4.92 2.02 -1.26 -2.64 118.70 124.31 2wb1 s GLU 764 Ca -0.02 0.66 -0.15 0.00 0.02 0.00 0.00 54.97 55.49 2wb1 s GLU 764 Cb -0.04 -3.42 0.14 0.00 0.10 0.00 0.00 34.13 30.91 2wb1 s GLU 764 CO -0.00 0.17 1.58 -1.91 0.02 0.00 0.00 175.26 175.12 2wb1 n GLU 765 N 3.50 3.33 -3.41 1.61 2.13 -1.00 -4.80 120.64 122.00 2wb1 n GLU 765 Ca -0.05 -3.63 0.02 0.00 0.66 0.00 0.00 57.16 54.15 2wb1 n GLU 765 Cb 0.51 -3.17 -0.04 0.00 0.27 0.00 0.00 31.44 29.02 2wb1 n GLU 765 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wb1 s VAL 766 N 2.26 -0.56 -0.05 6.31 0.11 -1.26 -4.35 120.40 122.87 2wb1 s VAL 766 Ca 0.46 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.58 2wb1 s VAL 766 Cb 0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.97 2wb1 s VAL 766 CO 0.02 0.00 0.99 0.29 -3.33 0.00 0.00 175.10 173.08 2wb1 n LYS 767 N 5.06 1.50 -2.74 1.54 4.01 -1.26 -4.77 118.16 121.50 2wb1 n LYS 767 Ca -0.09 -1.71 -0.08 0.00 -0.51 0.00 0.00 58.31 55.92 2wb1 n LYS 767 Cb 0.52 -1.05 0.06 0.00 -0.51 0.00 0.00 35.03 34.04 2wb1 n LYS 767 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2wb1 n TYR 768 N -0.72 -2.92 0.22 2.13 0.53 -1.26 -4.69 117.16 110.45 2wb1 n TYR 768 Ca 0.06 -1.60 0.00 0.00 -1.02 0.00 0.00 57.90 55.34 2wb1 n TYR 768 Cb 0.50 1.50 0.00 0.00 -1.03 0.00 0.00 39.34 40.31 2wb1 n TYR 768 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 2wb1 n PRO 769 N 1.59 0.22 -2.80 -0.72 -0.04 -1.26 -3.29 135.00 128.69 2wb1 n PRO 769 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2wb1 n PRO 769 Cb 0.64 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.97 2wb1 n PRO 769 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wb1 n GLY 770 N 0.47 0.01 0.00 0.55 0.00 -1.26 -5.04 105.19 99.92 2wb1 n GLY 770 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2wb1 n GLY 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 771 N 2.21 1.84 0.00 -0.02 0.00 -1.21 -5.02 105.19 102.98 2wb1 n GLY 771 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2wb1 n GLY 771 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 772 N 0.00 0.00 0.00 1.61 6.02 -1.22 -5.11 117.38 118.68 2wb1 n GLN 772 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wb1 n GLN 772 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wb1 n GLN 772 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wb1 n GLU 773 N -0.01 0.00 -4.40 -1.09 0.00 -1.22 -4.87 120.64 109.06 2wb1 n GLU 773 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 2wb1 n GLU 773 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 2wb1 n GLU 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2wb1 s ASP 774 N -0.66 2.99 0.00 4.31 1.11 -1.26 -4.90 116.67 118.26 2wb1 s ASP 774 Ca 0.00 -1.02 0.00 0.00 0.18 0.00 0.00 52.55 51.71 2wb1 s ASP 774 Cb 0.00 -0.20 0.00 0.00 1.07 0.00 0.00 42.92 43.79 2wb1 s ASP 774 CO 0.00 -0.08 0.00 0.29 1.18 0.00 0.00 175.17 176.56 2wb1 n LYS 775 N -0.45 2.29 -3.83 8.23 5.02 -1.21 -4.28 118.16 123.92 2wb1 n LYS 775 Ca -0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 2wb1 n LYS 775 Cb 0.60 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.47 2wb1 n LYS 775 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wb1 s ILE 776 N 0.35 1.78 0.00 -0.18 1.01 -1.26 -1.27 121.20 121.63 2wb1 s ILE 776 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 60.65 58.10 2wb1 s ILE 776 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2wb1 s ILE 776 CO 0.00 -0.79 0.00 0.52 0.00 0.00 0.00 174.94 174.67 2wb1 n VAL 777 N 3.75 0.00 -3.74 2.92 0.31 -0.99 -4.71 118.33 115.87 2wb1 n VAL 777 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.00 2wb1 n VAL 777 Cb 0.36 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.17 2wb1 n VAL 777 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 s MET 778 N 1.69 2.77 0.41 5.55 0.23 -1.25 -3.82 119.30 124.88 2wb1 s MET 778 Ca 0.00 -1.08 -0.22 0.00 -1.03 0.00 0.00 55.69 53.37 2wb1 s MET 778 Cb 0.00 -3.46 -0.14 0.00 -1.53 0.00 0.00 34.83 29.70 2wb1 s MET 778 CO 0.00 -0.61 0.29 -2.30 -2.03 0.00 0.00 175.02 170.37 2wb1 n PRO 779 N 4.85 0.23 -2.20 3.16 -0.02 -1.26 -4.89 135.00 134.87 2wb1 n PRO 779 Ca -0.13 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 2wb1 n PRO 779 Cb 0.46 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 2wb1 n PRO 779 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wb1 s GLU 780 N -1.26 4.23 0.43 -0.52 2.56 -1.26 -4.89 118.70 117.99 2wb1 s GLU 780 Ca 0.61 1.96 0.37 0.00 0.00 0.00 0.00 54.97 57.91 2wb1 s GLU 780 Cb -0.63 -3.78 1.39 0.00 2.00 0.00 0.00 34.13 33.12 2wb1 s GLU 780 CO 0.60 -0.71 1.33 -2.30 -0.56 0.00 0.00 175.26 173.62 2wb1 n PRO 781 N 6.38 -0.01 0.00 4.30 -0.02 -1.26 -4.39 135.00 139.99 2wb1 n PRO 781 Ca 0.15 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 2wb1 n PRO 781 Cb 0.44 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2wb1 n PRO 781 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 782 N -1.64 1.42 2.71 -1.23 0.00 -1.26 -4.92 105.19 100.26 2wb1 n GLY 782 Ca 0.37 -1.34 -0.47 0.00 0.00 0.00 0.00 46.02 44.57 2wb1 n GLY 782 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 783 N 0.00 0.00 -3.62 1.61 0.31 -1.26 -4.43 118.33 110.94 2wb1 n VAL 783 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2wb1 n VAL 783 Cb 0.00 -0.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 2wb1 n VAL 783 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wb1 s ARG 784 N 1.15 0.85 0.00 5.55 6.06 -1.17 -4.77 118.95 126.62 2wb1 s ARG 784 Ca 0.73 0.74 0.00 0.00 -2.50 0.00 0.00 55.73 54.70 2wb1 s ARG 784 Cb -1.04 0.41 0.00 0.00 0.06 0.00 0.00 34.95 34.38 2wb1 s ARG 784 CO 0.52 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.58 2wb1 n GLY 785 N 2.24 0.67 3.77 8.12 0.00 -1.26 -3.88 105.19 114.84 2wb1 n GLY 785 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2wb1 n GLY 785 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wb1 s TYR 786 N -2.20 2.51 -0.09 1.61 5.04 -1.26 -4.76 117.35 118.20 2wb1 s TYR 786 Ca 0.00 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 2wb1 s TYR 786 Cb 0.00 -3.99 -0.25 0.00 0.35 0.00 0.00 41.96 38.07 2wb1 s TYR 786 CO 0.00 -3.01 0.47 1.63 -1.34 0.00 0.00 175.55 173.31 2wb1 n LYS 787 N 0.15 0.71 0.00 4.97 5.02 -1.26 -5.08 118.16 122.67 2wb1 n LYS 787 Ca 0.03 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2wb1 n LYS 787 Cb 0.40 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2wb1 n LYS 787 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb1 n GLY 788 N 1.82 0.25 7.00 0.72 0.00 -1.26 -4.96 105.19 108.75 2wb1 n GLY 788 Ca -0.26 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2wb1 n GLY 788 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 789 N 0.45 0.00 -0.02 1.61 4.76 -1.26 -2.69 118.16 121.01 2wb1 n LYS 789 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wb1 n LYS 789 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 2wb1 n LYS 789 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wb1 n GLU 790 N 0.00 1.06 0.26 1.97 4.71 -1.26 -3.44 120.64 123.94 2wb1 n GLU 790 Ca 0.00 -0.06 0.13 0.00 -0.01 0.00 0.00 57.16 57.22 2wb1 n GLU 790 Cb 0.00 -1.38 0.67 0.00 -1.01 0.00 0.00 31.44 29.72 2wb1 n GLU 790 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 2wb1 h TYR 791 N 0.06 0.00 0.00 -0.32 0.05 -1.83 -2.87 116.97 112.06 2wb1 h TYR 791 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wb1 h TYR 791 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2wb1 h TYR 791 CO 0.02 0.14 -1.16 0.66 -1.05 0.00 0.00 178.16 176.77 2wb1 n TYR 792 N -3.47 0.00 -0.06 4.88 4.02 -1.22 -1.36 117.16 119.96 2wb1 n TYR 792 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.06 2wb1 n TYR 792 Cb 0.30 -0.09 0.27 0.00 -0.02 0.00 0.00 39.34 39.80 2wb1 n TYR 792 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wb1 n ARG 793 N -1.63 0.02 0.00 -0.72 3.00 -1.09 -0.14 116.66 116.09 2wb1 n ARG 793 Ca 0.03 0.86 0.07 0.00 -0.00 0.00 0.00 57.85 58.81 2wb1 n ARG 793 Cb 0.37 -2.20 0.06 0.00 0.00 0.00 0.00 32.46 30.69 2wb1 n ARG 793 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wb1 n LEU 794 N -2.77 2.15 -4.64 6.15 4.77 -1.26 -4.94 117.00 116.46 2wb1 n LEU 794 Ca 0.15 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.71 2wb1 n LEU 794 Cb 1.20 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.27 2wb1 n LEU 794 CO 0.15 0.39 1.04 -0.76 -1.33 0.00 0.00 177.39 176.88 2wb1 s LEU 795 N -1.20 3.99 0.84 2.23 1.43 0.79 -3.85 118.68 122.91 2wb1 s LEU 795 Ca 0.16 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2wb1 s LEU 795 Cb 0.12 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.89 2wb1 s LEU 795 CO 0.18 -0.90 1.09 -1.61 0.23 0.00 0.00 176.35 175.35 2wb1 s GLU 796 N 3.73 1.75 0.00 1.70 0.41 -0.37 -4.76 118.70 121.16 2wb1 s GLU 796 Ca 0.51 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 2wb1 s GLU 796 Cb -0.16 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 2wb1 s GLU 796 CO 0.17 -1.94 0.00 -0.25 -0.49 0.00 0.00 175.26 172.75 2wb1 n ASP 797 N -3.70 0.00 0.21 -0.19 9.92 -1.26 0.32 116.55 121.85 2wb1 n ASP 797 Ca 0.08 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.41 2wb1 n ASP 797 Cb 0.54 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.49 2wb1 n ASP 797 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2wb1 h ASN 798 N 0.00 0.00 0.00 -2.24 7.08 -1.95 -3.44 115.58 115.03 2wb1 h ASN 798 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2wb1 h ASN 798 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2wb1 h ASN 798 CO 0.00 0.29 0.00 0.61 -2.08 0.00 0.00 177.43 176.25 2wb1 n GLY 799 N -0.29 1.84 2.94 9.14 0.00 0.15 -3.92 105.19 115.06 2wb1 n GLY 799 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2wb1 n GLY 799 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 800 N -2.00 0.48 0.41 1.61 1.01 -1.24 -0.95 120.40 119.72 2wb1 s VAL 800 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2wb1 s VAL 800 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 2wb1 s VAL 800 CO 0.00 0.16 1.43 1.33 0.00 0.00 0.00 175.10 178.02 2wb1 n VAL 801 N 3.36 2.41 -1.22 2.92 0.24 -0.46 -1.24 118.33 124.34 2wb1 n VAL 801 Ca -0.18 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.31 2wb1 n VAL 801 Cb 0.55 -1.85 0.10 0.00 -1.47 0.00 0.00 33.84 31.17 2wb1 n VAL 801 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wb1 s SER 802 N -0.33 4.22 -0.09 -1.34 1.04 -1.25 -4.84 113.70 111.10 2wb1 s SER 802 Ca 0.58 1.96 0.06 0.00 0.48 0.00 0.00 55.95 59.03 2wb1 s SER 802 Cb -0.47 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.45 2wb1 s SER 802 CO 0.60 -2.23 1.05 -0.81 0.98 0.00 0.00 173.24 172.84 2wb1 n PRO 803 N -3.47 2.56 -2.98 4.02 -0.04 -1.26 -4.02 135.00 129.80 2wb1 n PRO 803 Ca 0.10 -1.32 -0.15 0.00 -0.04 0.00 0.00 63.50 62.09 2wb1 n PRO 803 Cb 0.52 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2wb1 n PRO 803 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wb1 n GLU 804 N 0.28 1.13 -5.13 0.54 -0.58 -1.26 -4.12 120.64 111.50 2wb1 n GLU 804 Ca 0.12 -3.39 -0.30 0.00 -0.42 0.00 0.00 57.16 53.17 2wb1 n GLU 804 Cb 0.61 -1.56 -0.16 0.00 -0.57 0.00 0.00 31.44 29.76 2wb1 n GLU 804 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wb1 s VAL 805 N -2.78 1.98 0.31 2.62 1.01 -1.26 -4.95 120.40 117.33 2wb1 s VAL 805 Ca 0.36 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2wb1 s VAL 805 Cb 0.39 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2wb1 s VAL 805 CO -0.04 0.49 1.22 -1.61 0.00 0.00 0.00 175.10 175.17 2wb1 s GLU 806 N -0.76 4.46 -0.12 2.72 2.02 -1.26 -2.20 118.70 123.56 2wb1 s GLU 806 Ca 0.10 2.05 -0.04 0.00 0.02 0.00 0.00 54.97 57.10 2wb1 s GLU 806 Cb -0.10 -3.11 0.06 0.00 0.10 0.00 0.00 34.13 31.08 2wb1 s GLU 806 CO -0.00 -0.04 0.24 0.08 0.02 0.00 0.00 175.26 175.56 2wb1 s VAL 807 N -1.15 -0.34 0.00 2.63 1.01 -0.53 -4.97 120.40 117.05 2wb1 s VAL 807 Ca 0.47 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2wb1 s VAL 807 Cb -0.37 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2wb1 s VAL 807 CO 0.48 0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.99 2wb1 n LYS 808 N 5.24 1.77 0.00 2.72 4.01 -1.26 -2.75 118.16 127.88 2wb1 n LYS 808 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2wb1 n LYS 808 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2wb1 n LYS 808 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wb1 n GLY 809 N 4.01 0.00 2.77 0.72 0.00 -1.20 -2.77 105.19 108.71 2wb1 n GLY 809 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2wb1 n GLY 809 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 810 N 0.00 5.74 3.87 -0.02 0.00 -1.26 -4.39 105.19 109.14 2wb1 n GLY 810 Ca 0.00 -2.69 -0.37 0.00 0.00 0.00 0.00 46.02 42.97 2wb1 n GLY 810 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 811 N -2.31 6.47 0.00 1.61 1.11 -1.11 -4.83 116.67 117.61 2wb1 s ASP 811 Ca 0.42 0.56 -0.30 0.00 0.18 0.00 0.00 52.55 53.41 2wb1 s ASP 811 Cb 0.21 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 42.06 2wb1 s ASP 811 CO -0.10 0.38 1.03 -0.69 1.18 0.00 0.00 175.17 176.97 2wb1 s VAL 812 N -1.07 4.68 -0.19 -1.27 1.01 -0.46 -1.12 120.40 121.98 2wb1 s VAL 812 Ca 0.18 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 64.06 2wb1 s VAL 812 Cb -0.13 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2wb1 s VAL 812 CO 0.07 0.13 -0.20 0.18 0.00 0.00 0.00 175.10 175.29 2wb1 n LEU 813 N 4.05 2.33 -4.06 3.92 4.77 -0.98 -4.57 117.00 122.46 2wb1 n LEU 813 Ca 0.07 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 2wb1 n LEU 813 Cb 0.50 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 2wb1 n LEU 813 CO 0.53 0.64 -0.49 -0.63 -1.33 0.00 0.00 177.39 176.11 2wb1 s ILE 814 N -2.36 1.87 -0.12 -0.08 1.01 -1.19 -1.35 121.20 118.99 2wb1 s ILE 814 Ca -0.25 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 2wb1 s ILE 814 Cb 0.08 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2wb1 s ILE 814 CO 0.39 0.35 0.61 -0.83 0.00 0.00 0.00 174.94 175.46 2wb1 s GLY 815 N 1.33 2.40 0.03 6.18 0.00 -0.13 -1.10 107.32 116.04 2wb1 s GLY 815 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.62 2wb1 s GLY 815 CO -0.10 1.09 0.08 1.25 0.00 0.00 0.00 173.10 175.41 2wb1 s LYS 816 N 1.03 0.55 0.03 2.90 2.20 -1.25 -2.34 119.74 122.86 2wb1 s LYS 816 Ca 0.32 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2wb1 s LYS 816 Cb -0.16 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2wb1 s LYS 816 CO 0.14 -0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 174.92 2wb1 s VAL 817 N -2.42 1.20 0.24 4.02 1.01 -0.39 -3.78 120.40 120.27 2wb1 s VAL 817 Ca -0.07 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.02 2wb1 s VAL 817 Cb -0.02 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2wb1 s VAL 817 CO -0.04 0.08 -0.13 -0.44 0.00 0.00 0.00 175.10 174.57 2wb1 s SER 818 N -1.03 2.87 0.60 3.32 0.01 -1.24 -3.36 113.70 114.88 2wb1 s SER 818 Ca 0.03 -1.07 -0.14 0.00 1.31 0.00 0.00 55.95 56.08 2wb1 s SER 818 Cb -0.08 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2wb1 s SER 818 CO 0.01 -0.17 1.03 -2.84 0.41 0.00 0.00 173.24 171.68 2wb1 s PRO 819 N -3.64 3.47 0.00 12.44 0.02 -1.26 -0.53 135.00 145.50 2wb1 s PRO 819 Ca 0.26 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.26 2wb1 s PRO 819 Cb -0.00 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2wb1 s PRO 819 CO 0.10 -0.68 0.00 -0.35 -0.33 0.00 0.00 177.00 175.75 2wb1 n PRO 820 N -2.32 0.00 0.00 5.54 -0.04 -1.26 -4.40 135.00 132.52 2wb1 n PRO 820 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2wb1 n PRO 820 Cb 0.54 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2wb1 n PRO 820 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wb1 n ALA 834 N -2.21 0.00 0.00 0.55 0.00 -1.26 -5.05 120.51 112.54 2wb1 n ALA 834 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 834 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 834 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wb1 n LYS 835 N 0.00 0.00 0.00 0.00 5.02 -1.26 -3.44 118.16 118.48 2wb1 n LYS 835 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wb1 n LYS 835 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wb1 n LYS 835 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wb1 n ARG 836 N -0.93 0.37 0.00 1.97 1.74 0.31 -3.04 116.66 117.08 2wb1 n ARG 836 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wb1 n ARG 836 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wb1 n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wb1 n ASP 837 N -1.07 0.00 -3.96 0.55 2.03 -1.25 -4.31 116.55 108.54 2wb1 n ASP 837 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2wb1 n ASP 837 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2wb1 n ASP 837 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wb1 n THR 838 N 0.00 -3.26 -2.80 5.18 -1.04 -1.26 -3.62 114.28 107.49 2wb1 n THR 838 Ca 0.00 -0.58 -0.32 0.00 -2.04 0.00 0.00 64.05 61.11 2wb1 n THR 838 Cb 0.00 -2.72 -0.05 0.00 -1.82 0.00 0.00 70.33 65.74 2wb1 n THR 838 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2wb1 s SER 839 N -4.18 6.76 0.19 8.00 1.04 -1.25 -4.77 113.70 119.50 2wb1 s SER 839 Ca 0.11 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.72 2wb1 s SER 839 Cb -0.04 -2.46 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 2wb1 s SER 839 CO 0.90 -0.38 1.20 -0.63 0.98 0.00 0.00 173.24 175.31 2wb1 s ILE 840 N -2.27 3.52 0.10 -1.02 1.09 -0.26 -4.90 121.20 117.46 2wb1 s ILE 840 Ca 0.58 1.29 0.06 0.00 -1.10 0.00 0.00 60.65 61.48 2wb1 s ILE 840 Cb -0.10 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 2wb1 s ILE 840 CO 0.21 0.21 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.41 2wb1 s VAL 841 N -0.10 1.39 0.33 2.92 1.01 -1.26 -2.32 120.40 122.36 2wb1 s VAL 841 Ca 0.53 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2wb1 s VAL 841 Cb -0.33 -1.37 -0.12 0.00 0.00 0.00 0.00 36.38 34.56 2wb1 s VAL 841 CO 0.37 -0.22 1.33 0.41 0.00 0.00 0.00 175.10 176.99 2wb1 n THR 842 N 0.99 1.83 -1.32 3.92 -1.04 -0.27 -4.93 114.28 113.46 2wb1 n THR 842 Ca -0.19 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.00 2wb1 n THR 842 Cb 0.55 -1.60 0.07 0.00 -1.82 0.00 0.00 70.33 67.53 2wb1 n THR 842 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wb1 n ARG 843 N 0.79 0.39 0.17 -2.82 5.12 -1.26 -4.60 116.66 114.44 2wb1 n ARG 843 Ca 0.05 0.17 -0.07 0.00 -1.93 0.00 0.00 57.85 56.08 2wb1 n ARG 843 Cb 0.36 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.72 2wb1 n ARG 843 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wb1 h HIS 844 N -0.25 -0.41 -0.23 -1.55 2.76 -1.79 -3.21 115.15 110.47 2wb1 h HIS 844 Ca -0.46 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 57.62 2wb1 h HIS 844 Cb 1.35 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 30.40 2wb1 h HIS 844 CO 0.35 -0.26 0.11 0.41 -1.30 0.00 0.00 177.93 177.24 2wb1 n GLY 845 N -0.68 2.37 3.81 5.26 0.00 -1.26 -4.39 105.19 110.30 2wb1 n GLY 845 Ca -0.06 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2wb1 n GLY 845 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 846 N -1.14 2.32 0.00 1.61 2.02 -1.21 -5.04 118.70 117.26 2wb1 s GLU 846 Ca 0.15 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2wb1 s GLU 846 Cb 0.12 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2wb1 s GLU 846 CO 0.04 -0.24 0.00 0.00 0.02 0.00 0.00 175.26 175.08 2wb1 n MET 847 N -1.43 0.00 0.00 1.61 0.00 -1.26 -3.28 117.12 112.76 2wb1 n MET 847 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2wb1 n MET 847 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.86 2wb1 n MET 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wb1 n GLY 848 N 0.00 -0.38 3.36 3.17 0.00 -1.11 -4.76 105.19 105.47 2wb1 n GLY 848 Ca 0.00 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 2wb1 n GLY 848 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 849 N -0.08 2.20 0.14 -0.61 1.01 0.63 -1.45 121.20 123.05 2wb1 s ILE 849 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 2wb1 s ILE 849 Cb 0.00 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 2wb1 s ILE 849 CO 0.00 0.28 1.38 -0.69 0.00 0.00 0.00 174.94 175.90 2wb1 s VAL 850 N -0.89 3.24 -0.15 2.92 1.01 -0.94 0.40 120.40 125.98 2wb1 s VAL 850 Ca 0.13 0.92 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2wb1 s VAL 850 Cb -0.10 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2wb1 s VAL 850 CO 0.03 0.09 -0.10 -0.67 0.00 0.00 0.00 175.10 174.46 2wb1 n ASP 851 N 3.56 2.55 -3.71 3.32 4.64 -0.28 -4.03 116.55 122.59 2wb1 n ASP 851 Ca 0.10 -0.07 -0.11 0.00 -1.38 0.00 0.00 54.79 53.33 2wb1 n ASP 851 Cb 0.42 -0.01 -0.11 0.00 -1.04 0.00 0.00 41.12 40.38 2wb1 n ASP 851 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2wb1 s LEU 852 N -5.71 0.12 -0.01 -2.67 2.96 -1.22 -4.96 118.68 107.18 2wb1 s LEU 852 Ca -0.18 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 2wb1 s LEU 852 Cb 0.05 1.20 -0.03 0.00 0.50 0.00 0.00 46.19 47.92 2wb1 s LEU 852 CO 0.41 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.43 2wb1 s VAL 853 N 1.18 3.11 -0.05 1.68 1.01 -1.26 -1.35 120.40 124.72 2wb1 s VAL 853 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2wb1 s VAL 853 Cb -0.08 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2wb1 s VAL 853 CO -0.10 0.48 0.11 -0.22 0.00 0.00 0.00 175.10 175.37 2wb1 s LEU 854 N -1.08 0.86 -0.14 3.92 0.20 -0.40 -5.00 118.68 117.04 2wb1 s LEU 854 Ca 0.14 0.22 -0.01 0.00 0.69 0.00 0.00 54.13 55.16 2wb1 s LEU 854 Cb -0.11 0.23 0.04 0.00 -0.43 0.00 0.00 46.19 45.92 2wb1 s LEU 854 CO 0.03 -0.14 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.28 2wb1 s ILE 855 N 1.11 0.90 0.00 6.68 1.09 -1.26 -1.94 121.20 127.78 2wb1 s ILE 855 Ca -0.09 -0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2wb1 s ILE 855 Cb -0.12 -1.07 0.00 0.00 -1.06 0.00 0.00 42.46 40.22 2wb1 s ILE 855 CO -0.05 0.18 0.00 0.41 -0.10 0.00 0.00 174.94 175.38 2wb1 n THR 856 N 4.96 0.00 -3.93 2.92 -1.04 -0.33 -5.01 114.28 111.85 2wb1 n THR 856 Ca -0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 2wb1 n THR 856 Cb 0.49 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 2wb1 n THR 856 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wb1 s GLU 857 N 1.09 0.42 0.46 -2.82 2.02 -1.25 0.08 118.70 118.70 2wb1 s GLU 857 Ca 0.00 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 2wb1 s GLU 857 Cb 0.00 0.16 0.11 0.00 0.10 0.00 0.00 34.13 34.50 2wb1 s GLU 857 CO 0.00 -0.09 0.52 0.25 0.02 0.00 0.00 175.26 175.96 2wb1 n THR 858 N 1.45 0.00 -0.09 3.63 -2.24 -0.06 -4.77 114.28 112.19 2wb1 n THR 858 Ca -0.23 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2wb1 n THR 858 Cb 0.56 -1.49 0.27 0.00 -2.10 0.00 0.00 70.33 67.56 2wb1 n THR 858 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wb1 h ALA 859 N -2.08 1.40 0.00 6.98 0.00 -1.87 -1.26 119.26 122.43 2wb1 h ALA 859 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wb1 h ALA 859 Cb 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wb1 h ALA 859 CO 0.12 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.22 2wb1 n GLU 860 N -4.34 0.13 -2.21 0.00 1.02 -1.26 -3.63 120.64 110.34 2wb1 n GLU 860 Ca 0.04 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 2wb1 n GLU 860 Cb 0.16 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2wb1 n GLU 860 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wb1 n GLY 861 N 0.62 0.44 3.51 0.62 0.00 -0.47 -4.92 105.19 104.99 2wb1 n GLY 861 Ca 0.07 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2wb1 n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 862 N -3.11 4.70 -0.64 1.61 0.01 -1.26 -4.80 114.94 111.45 2wb1 s ASN 862 Ca 0.01 -0.11 -0.26 0.00 -0.71 0.00 0.00 52.86 51.79 2wb1 s ASN 862 Cb -0.00 -1.60 -0.06 0.00 0.41 0.00 0.00 41.25 40.00 2wb1 s ASN 862 CO 0.07 0.23 2.12 -0.75 -1.51 0.00 0.00 177.10 177.26 2wb1 s LYS 863 N 0.00 2.31 -0.11 -0.60 2.20 -1.26 -0.88 119.74 121.40 2wb1 s LYS 863 Ca -0.00 0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 56.24 2wb1 s LYS 863 Cb -0.13 -4.60 -0.04 0.00 -1.51 0.00 0.00 37.83 31.54 2wb1 s LYS 863 CO 0.03 -3.23 0.19 -1.17 -0.36 0.00 0.00 175.35 170.81 2wb1 s LEU 864 N 10.99 4.38 -0.11 5.43 2.96 0.11 -2.38 118.68 140.06 2wb1 s LEU 864 Ca 0.81 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2wb1 s LEU 864 Cb -0.13 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.41 2wb1 s LEU 864 CO 0.18 0.35 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.85 2wb1 s VAL 865 N -0.79 0.60 -0.23 1.68 1.01 -1.08 -1.19 120.40 120.40 2wb1 s VAL 865 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2wb1 s VAL 865 Cb -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2wb1 s VAL 865 CO 0.05 0.21 0.00 -0.54 0.00 0.00 0.00 175.10 174.82 2wb1 s LYS 866 N 1.87 3.49 -0.17 2.72 1.02 -0.82 -2.05 119.74 125.80 2wb1 s LYS 866 Ca 0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2wb1 s LYS 866 Cb -0.13 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 2wb1 s LYS 866 CO -0.06 -0.18 -0.18 0.08 -0.92 0.00 0.00 175.35 174.08 2wb1 s VAL 867 N 1.50 2.25 0.27 3.17 1.01 0.18 -1.27 120.40 127.51 2wb1 s VAL 867 Ca 0.06 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2wb1 s VAL 867 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2wb1 s VAL 867 CO -0.00 0.53 0.02 0.00 0.00 0.00 0.00 175.10 175.65 2wb1 s ARG 868 N 1.18 2.35 -0.07 2.72 1.70 -0.46 -0.55 118.95 125.82 2wb1 s ARG 868 Ca 0.02 -1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 53.87 2wb1 s ARG 868 Cb -0.14 -2.19 0.03 0.00 -0.57 0.00 0.00 34.95 32.08 2wb1 s ARG 868 CO -0.09 0.34 -0.00 0.08 -1.08 0.00 0.00 175.30 174.56 2wb1 s VAL 869 N -2.32 0.39 0.14 4.99 1.01 -0.56 -1.13 120.40 122.92 2wb1 s VAL 869 Ca 0.32 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2wb1 s VAL 869 Cb -0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 2wb1 s VAL 869 CO 0.21 0.26 0.44 0.00 0.00 0.00 0.00 175.10 176.00 2wb1 s ARG 870 N 1.91 3.73 -0.04 2.72 1.70 0.16 -1.58 118.95 127.56 2wb1 s ARG 870 Ca 0.04 0.13 0.01 0.00 -0.47 0.00 0.00 55.73 55.43 2wb1 s ARG 870 Cb -0.12 -2.85 0.02 0.00 -0.57 0.00 0.00 34.95 31.43 2wb1 s ARG 870 CO -0.05 0.46 -0.02 0.34 -1.08 0.00 0.00 175.30 174.95 2wb1 s ASP 871 N -2.14 0.73 0.16 -2.89 -1.08 -0.63 -0.27 116.67 110.56 2wb1 s ASP 871 Ca 0.40 -0.07 -0.30 0.00 -0.52 0.00 0.00 52.55 52.05 2wb1 s ASP 871 Cb -0.13 -0.33 -0.07 0.00 -1.46 0.00 0.00 42.92 40.93 2wb1 s ASP 871 CO 0.21 -0.09 1.04 -0.22 0.52 0.00 0.00 175.17 176.63 2wb1 s LEU 872 N 1.04 4.51 -0.43 -1.34 0.20 -1.26 -2.57 118.68 118.83 2wb1 s LEU 872 Ca -0.09 1.98 0.02 0.00 0.69 0.00 0.00 54.13 56.73 2wb1 s LEU 872 Cb -0.14 -3.60 0.13 0.00 -0.43 0.00 0.00 46.19 42.15 2wb1 s LEU 872 CO -0.01 -0.13 0.21 -0.13 -0.29 0.00 0.00 176.35 175.99 2wb1 s ARG 873 N -0.34 1.39 -0.27 1.98 1.81 -0.82 -4.95 118.95 117.75 2wb1 s ARG 873 Ca 0.48 -2.01 -0.17 0.00 -1.72 0.00 0.00 55.73 52.31 2wb1 s ARG 873 Cb -0.27 -2.60 -0.03 0.00 -0.45 0.00 0.00 34.95 31.60 2wb1 s ARG 873 CO 0.33 -1.10 0.46 0.42 -0.68 0.00 0.00 175.30 174.73 2wb1 s ILE 874 N 0.43 5.10 -0.21 1.52 1.09 -1.26 -2.00 121.20 125.87 2wb1 s ILE 874 Ca 0.16 0.71 -0.37 0.00 -1.10 0.00 0.00 60.65 60.05 2wb1 s ILE 874 Cb -0.23 -3.79 -0.14 0.00 -1.06 0.00 0.00 42.46 37.24 2wb1 s ILE 874 CO -0.04 0.08 1.84 -0.81 -0.10 0.00 0.00 174.94 175.91 2wb1 n PRO 875 N 5.48 1.58 -4.54 2.79 -0.04 -1.26 -4.94 135.00 134.07 2wb1 n PRO 875 Ca -0.06 0.57 -0.25 0.00 -0.04 0.00 0.00 63.50 63.72 2wb1 n PRO 875 Cb 0.50 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 2wb1 n PRO 875 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wb1 s SER 876 N 4.06 3.08 -0.19 3.54 1.04 -1.26 -5.03 113.70 118.93 2wb1 s SER 876 Ca 0.97 -1.43 -0.31 0.00 0.48 0.00 0.00 55.95 55.66 2wb1 s SER 876 Cb -0.90 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.07 2wb1 s SER 876 CO 0.59 -0.61 2.13 -0.38 0.98 0.00 0.00 173.24 175.95 2wb1 n ILE 877 N -0.86 0.41 0.00 -1.02 -0.00 -1.26 -1.99 119.36 114.64 2wb1 n ILE 877 Ca -0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 2wb1 n ILE 877 Cb 0.67 -2.24 0.00 0.00 -0.00 0.00 0.00 39.64 38.07 2wb1 n ILE 877 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 878 N 5.55 1.10 3.74 7.39 0.00 -1.02 -4.93 105.19 117.02 2wb1 n GLY 878 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2wb1 n GLY 878 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 879 N -0.94 6.66 -0.24 1.61 -0.00 -0.84 -4.22 116.67 118.69 2wb1 s ASP 879 Ca 0.00 2.63 -0.22 0.00 -0.00 0.00 0.00 52.55 54.96 2wb1 s ASP 879 Cb 0.00 -2.61 -0.02 0.00 -0.00 0.00 0.00 42.92 40.29 2wb1 s ASP 879 CO 0.00 -0.72 0.69 -0.75 -0.00 0.00 0.00 175.17 174.40 2wb1 s LYS 880 N 0.04 4.15 0.24 8.23 2.20 -0.90 -2.66 119.74 131.04 2wb1 s LYS 880 Ca 0.62 0.69 0.11 0.00 -0.36 0.00 0.00 55.97 57.02 2wb1 s LYS 880 Cb -0.42 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2wb1 s LYS 880 CO 0.40 -0.41 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.77 2wb1 s PHE 881 N 2.49 2.45 0.04 4.03 0.40 0.12 -0.98 117.98 126.53 2wb1 s PHE 881 Ca 0.29 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 2wb1 s PHE 881 Cb -0.16 -1.12 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 2wb1 s PHE 881 CO 0.09 0.61 0.16 0.00 0.70 0.00 0.00 175.22 176.78 2wb1 s ALA 882 N -2.14 -0.27 0.94 5.36 0.00 -0.13 -0.88 121.76 124.63 2wb1 s ALA 882 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2wb1 s ALA 882 Cb -0.07 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2wb1 s ALA 882 CO 0.15 -0.34 0.00 -1.13 0.00 0.00 0.00 175.76 174.44 2wb1 n SER 883 N 0.74 0.00 -1.24 0.00 3.41 -0.30 -1.06 113.62 115.17 2wb1 n SER 883 Ca -0.19 -0.42 0.10 0.00 -0.26 0.00 0.00 58.87 58.11 2wb1 n SER 883 Cb 0.59 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.83 2wb1 n SER 883 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wb1 n ARG 884 N -0.42 2.66 -1.05 4.33 0.63 -1.25 -4.34 116.66 117.22 2wb1 n ARG 884 Ca 0.00 -2.38 0.04 0.00 -0.92 0.00 0.00 57.85 54.60 2wb1 n ARG 884 Cb 0.00 -1.56 0.07 0.00 0.45 0.00 0.00 32.46 31.42 2wb1 n ARG 884 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2wb1 n HIS 885 N 1.34 0.00 -1.08 -0.14 8.25 -1.26 -4.74 115.22 117.59 2wb1 n HIS 885 Ca 0.22 -0.69 -0.03 0.00 -0.26 0.00 0.00 57.72 56.96 2wb1 n HIS 885 Cb 0.59 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 2wb1 n HIS 885 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wb1 n GLY 886 N -0.08 0.59 3.50 -1.41 0.00 -1.21 -4.70 105.19 101.88 2wb1 n GLY 886 Ca 0.09 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2wb1 n GLY 886 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wb1 s GLN 887 N -1.50 3.80 1.29 1.61 2.00 -1.26 -4.88 119.66 120.72 2wb1 s GLN 887 Ca 0.00 -1.88 -0.21 0.00 -2.00 0.00 0.00 55.36 51.27 2wb1 s GLN 887 Cb 0.00 -5.16 0.32 0.00 0.80 0.00 0.00 33.01 28.97 2wb1 s GLN 887 CO 0.00 -1.95 1.05 0.15 -0.50 0.00 0.00 175.29 174.04 2wb1 s LYS 888 N 3.16 -1.95 0.00 1.67 1.02 -1.26 -1.15 119.74 121.22 2wb1 s LYS 888 Ca 0.42 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.34 2wb1 s LYS 888 Cb -0.02 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 2wb1 s LYS 888 CO -0.04 -4.19 0.00 0.41 -0.92 0.00 0.00 175.35 170.61 2wb1 n GLY 889 N -0.19 3.88 3.56 -3.33 0.00 -0.06 -4.71 105.19 104.35 2wb1 n GLY 889 Ca 0.14 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2wb1 n GLY 889 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 890 N -1.84 3.50 -0.44 1.61 1.01 -1.26 0.16 120.40 123.14 2wb1 s VAL 890 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 2wb1 s VAL 890 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2wb1 s VAL 890 CO 0.00 0.47 2.18 -0.63 0.00 0.00 0.00 175.10 177.11 2wb1 s ILE 891 N -0.91 3.14 0.01 2.22 1.01 -1.09 -1.53 121.20 124.05 2wb1 s ILE 891 Ca 0.15 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.66 2wb1 s ILE 891 Cb -0.11 -3.29 -0.17 0.00 0.01 0.00 0.00 42.46 38.90 2wb1 s ILE 891 CO 0.05 -0.25 1.28 1.23 0.00 0.00 0.00 174.94 177.24 2wb1 h GLY 892 N 17.29 -0.27 -3.10 6.18 0.00 -1.04 -2.71 103.07 119.43 2wb1 h GLY 892 Ca -0.29 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2wb1 h GLY 892 CO 1.12 -0.10 -0.47 -0.29 0.00 0.00 0.00 176.54 176.80 2wb1 s MET 893 N -4.65 0.83 -0.25 4.80 -2.45 -1.25 -4.89 119.30 111.44 2wb1 s MET 893 Ca -0.14 -1.10 0.02 0.00 -1.25 0.00 0.00 55.69 53.22 2wb1 s MET 893 Cb 0.02 0.30 0.06 0.00 1.25 0.00 0.00 34.83 36.47 2wb1 s MET 893 CO 0.59 -0.25 -0.07 -1.17 1.05 0.00 0.00 175.02 175.17 2wb1 s LEU 894 N -2.91 3.04 -0.24 4.11 2.96 -1.26 -2.26 118.68 122.12 2wb1 s LEU 894 Ca 0.09 -1.31 -0.08 0.00 -0.22 0.00 0.00 54.13 52.61 2wb1 s LEU 894 Cb 0.06 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 2wb1 s LEU 894 CO -0.08 -0.22 0.08 -0.63 -1.32 0.00 0.00 176.35 174.17 2wb1 s ILE 895 N 1.25 4.43 0.99 6.68 1.01 -0.93 -4.74 121.20 129.88 2wb1 s ILE 895 Ca -0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 2wb1 s ILE 895 Cb -0.19 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.22 2wb1 s ILE 895 CO -0.06 0.34 0.09 -2.65 0.00 0.00 0.00 174.94 172.67 2wb1 n PRO 896 N 4.79 -0.46 0.13 2.79 -0.02 -1.26 -1.24 135.00 139.74 2wb1 n PRO 896 Ca -0.16 -0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.25 2wb1 n PRO 896 Cb 0.52 -1.67 0.43 0.00 -0.02 0.00 0.00 33.50 32.76 2wb1 n PRO 896 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2wb1 h GLN 897 N -1.55 0.22 -0.39 -0.52 4.15 -1.95 -2.99 115.11 112.09 2wb1 h GLN 897 Ca -0.45 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 58.77 2wb1 h GLN 897 Cb 1.30 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2wb1 h GLN 897 CO 0.33 0.31 -0.38 0.28 -1.93 0.00 0.00 178.83 177.44 2wb1 h VAL 898 N 0.22 1.27 -0.03 2.39 2.07 -1.95 -2.91 116.25 117.30 2wb1 h VAL 898 Ca 0.05 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2wb1 h VAL 898 Cb 0.27 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2wb1 h VAL 898 CO 0.01 0.52 0.00 0.47 0.02 0.00 0.00 177.57 178.59 2wb1 n ASP 899 N -4.07 0.38 -4.86 0.57 10.43 -1.13 -3.88 116.55 113.99 2wb1 n ASP 899 Ca -0.02 -1.40 -0.32 0.00 2.57 0.00 0.00 54.79 55.61 2wb1 n ASP 899 Cb 0.54 -0.02 -0.06 0.00 1.84 0.00 0.00 41.12 43.43 2wb1 n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 2wb1 s MET 900 N -1.96 3.94 -0.41 -1.24 -1.94 -1.10 -4.43 119.30 112.15 2wb1 s MET 900 Ca 0.33 0.56 -0.29 0.00 -1.71 0.00 0.00 55.69 54.58 2wb1 s MET 900 Cb 0.16 -2.48 0.01 0.00 2.01 0.00 0.00 34.83 34.52 2wb1 s MET 900 CO 0.26 0.19 1.45 -1.25 -0.01 0.00 0.00 175.02 175.65 2wb1 s PRO 901 N -2.98 3.54 0.23 2.03 0.04 -1.26 -3.08 135.00 133.51 2wb1 s PRO 901 Ca 0.52 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2wb1 s PRO 901 Cb -0.10 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 2wb1 s PRO 901 CO 0.19 -1.61 0.46 1.52 0.04 0.00 0.00 177.00 177.59 2wb1 s TYR 902 N 5.61 3.48 0.40 0.56 1.13 -0.92 -4.39 117.35 123.22 2wb1 s TYR 902 Ca 0.63 0.49 0.05 0.00 -1.41 0.00 0.00 57.07 56.82 2wb1 s TYR 902 Cb -0.14 -1.97 0.00 0.00 -1.10 0.00 0.00 41.96 38.75 2wb1 s TYR 902 CO 0.33 0.30 0.57 0.99 -2.51 0.00 0.00 175.55 175.23 2wb1 s THR 903 N -1.93 3.67 0.14 -3.49 2.01 -0.50 -0.97 115.64 114.56 2wb1 s THR 903 Ca 0.41 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 2wb1 s THR 903 Cb -0.11 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2wb1 s THR 903 CO 0.29 -0.14 1.59 0.58 -0.69 0.00 0.00 174.62 176.25 2wb1 h VAL 904 N 0.63 0.19 -3.39 3.82 2.07 -1.91 -2.87 116.25 114.78 2wb1 h VAL 904 Ca -0.44 0.00 -0.76 0.00 0.82 0.00 0.00 66.70 66.32 2wb1 h VAL 904 Cb 1.27 0.19 -0.24 0.00 -1.52 0.00 0.00 31.29 30.99 2wb1 h VAL 904 CO 0.52 0.00 0.26 -1.59 0.02 0.00 0.00 177.57 176.78 2wb1 s LYS 905 N -5.92 3.54 1.40 1.57 0.00 -1.26 -5.02 119.74 114.05 2wb1 s LYS 905 Ca -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 55.97 53.62 2wb1 s LYS 905 Cb 0.10 -4.53 0.00 0.00 0.00 0.00 0.00 37.83 33.40 2wb1 s LYS 905 CO 0.65 -1.42 0.00 0.41 0.00 0.00 0.00 175.35 174.99 2wb1 n GLY 906 N 4.47 1.74 2.69 0.59 0.00 -1.08 -4.99 105.19 108.60 2wb1 n GLY 906 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2wb1 n GLY 906 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wb1 n VAL 907 N 0.00-12.05 -3.30 1.61 0.31 -1.26 -1.41 118.33 102.22 2wb1 n VAL 907 Ca 0.00 2.22 -0.23 0.00 -0.01 0.00 0.00 64.34 66.32 2wb1 n VAL 907 Cb 0.00 -6.61 -0.00 0.00 -0.91 0.00 0.00 33.84 26.32 2wb1 n VAL 907 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wb1 s VAL 908 N -1.16 4.69 0.53 2.52 -7.23 -1.26 -2.41 120.40 116.08 2wb1 s VAL 908 Ca -0.13 -0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 2wb1 s VAL 908 Cb 0.01 -3.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.17 2wb1 s VAL 908 CO 0.76 -0.45 0.97 -2.16 -0.31 0.00 0.00 175.10 173.91 2wb1 s PRO 909 N -4.36 3.82 -0.17 4.82 0.04 -1.26 -4.93 135.00 132.96 2wb1 s PRO 909 Ca 0.43 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 2wb1 s PRO 909 Cb -0.10 -2.15 -0.22 0.00 0.04 0.00 0.00 34.50 32.07 2wb1 s PRO 909 CO 0.36 -0.33 0.21 -0.25 0.04 0.00 0.00 177.00 177.03 2wb1 n ASP 910 N -1.89 2.02 -4.17 6.66 8.00 -0.19 -4.51 116.55 122.46 2wb1 n ASP 910 Ca 0.06 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.55 2wb1 n ASP 910 Cb 0.54 -0.85 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 2wb1 n ASP 910 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wb1 s VAL 911 N -2.49 1.44 -0.22 2.53 1.01 -1.05 0.61 120.40 122.24 2wb1 s VAL 911 Ca -0.27 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2wb1 s VAL 911 Cb 0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2wb1 s VAL 911 CO 0.68 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 175.49 2wb1 s ILE 912 N -0.33 3.13 0.60 2.22 1.09 0.24 -2.18 121.20 125.97 2wb1 s ILE 912 Ca 0.05 -0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 58.95 2wb1 s ILE 912 Cb -0.08 -2.43 0.03 0.00 -1.06 0.00 0.00 42.46 38.92 2wb1 s ILE 912 CO -0.00 0.42 0.88 -0.22 -0.10 0.00 0.00 174.94 175.91 2wb1 s LEU 913 N 1.44 3.15 -0.23 2.97 0.20 -0.71 -3.06 118.68 122.43 2wb1 s LEU 913 Ca 0.05 0.38 -0.09 0.00 0.69 0.00 0.00 54.13 55.16 2wb1 s LEU 913 Cb -0.14 -3.16 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 2wb1 s LEU 913 CO -0.05 -1.23 0.12 0.21 -0.29 0.00 0.00 176.35 175.12 2wb1 s ASN 914 N -4.40 5.85 0.00 3.68 3.84 -1.26 -3.07 114.94 119.58 2wb1 s ASN 914 Ca 0.56 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.68 2wb1 s ASN 914 Cb -0.10 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 2wb1 s ASN 914 CO 0.42 0.07 0.51 -0.81 -2.79 0.00 0.00 177.10 174.51 2wb1 n PRO 915 N 4.23 0.00 -0.02 0.43 -0.04 -1.26 0.10 135.00 138.44 2wb1 n PRO 915 Ca -0.15 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2wb1 n PRO 915 Cb 0.52 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2wb1 n PRO 915 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 916 N -1.01 0.00 0.84 0.54 8.25 -1.26 -4.32 115.22 118.26 2wb1 n HIS 916 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wb1 n HIS 916 Cb 0.05 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.61 2wb1 n HIS 916 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n ALA 917 N -2.29 2.06 0.04 -1.41 0.00 0.12 -4.32 120.51 114.71 2wb1 n ALA 917 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wb1 n ALA 917 Cb 0.63 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 2wb1 n ALA 917 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wb1 n LEU 918 N 0.01 1.13 0.26 0.00 4.77 -1.26 -4.68 117.00 117.23 2wb1 n LEU 918 Ca 0.00 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 2wb1 n LEU 918 Cb 0.13 -0.35 0.61 0.00 -2.33 0.00 0.00 43.42 41.48 2wb1 n LEU 918 CO 0.00 -0.74 0.94 1.55 -1.33 0.00 0.00 177.39 177.81 2wb1 h PRO 919 N -0.04 0.00 -0.07 3.23 0.13 -1.83 -1.25 132.00 132.17 2wb1 h PRO 919 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2wb1 h PRO 919 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 2wb1 h PRO 919 CO 0.00 0.07 -0.73 0.66 -0.23 0.00 0.00 178.00 177.77 2wb1 h SER 920 N 0.00 0.44 0.43 1.44 4.64 -1.88 -3.29 113.55 115.34 2wb1 h SER 920 Ca -0.00 -0.29 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 2wb1 h SER 920 Cb 0.58 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 2wb1 h SER 920 CO 0.01 1.03 -1.75 0.54 -0.87 0.00 0.00 176.83 175.78 2wb1 n ARG 921 N -3.83 0.64 -2.73 4.77 5.12 -1.10 -5.03 116.66 114.50 2wb1 n ARG 921 Ca -0.04 0.15 -0.10 0.00 -1.93 0.00 0.00 57.85 55.93 2wb1 n ARG 921 Cb 0.70 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 30.34 2wb1 n ARG 921 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wb1 n MET 922 N -2.84 -1.86 -2.80 5.56 2.81 -0.49 -4.53 117.12 112.97 2wb1 n MET 922 Ca -0.16 0.60 -0.38 0.00 -1.81 0.00 0.00 57.70 55.95 2wb1 n MET 922 Cb 0.93 -4.52 0.00 0.00 -0.71 0.00 0.00 33.22 28.93 2wb1 n MET 922 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2wb1 n THR 923 N -2.74 5.23 -0.17 2.03 -2.24 -1.25 -2.65 114.28 112.49 2wb1 n THR 923 Ca -0.06 -5.87 -0.03 0.00 -2.27 0.00 0.00 64.05 55.81 2wb1 n THR 923 Cb 0.59 -1.65 0.03 0.00 -2.10 0.00 0.00 70.33 67.20 2wb1 n THR 923 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wb1 h LEU 924 N 4.22 -0.72 -0.85 3.22 -0.00 -1.91 -2.08 115.31 117.19 2wb1 h LEU 924 Ca 0.38 0.18 0.23 0.00 -0.00 0.00 0.00 57.88 58.68 2wb1 h LEU 924 Cb 0.43 0.41 -0.16 0.00 -0.00 0.00 0.00 40.66 41.34 2wb1 h LEU 924 CO 1.13 -0.24 0.02 0.61 -0.00 0.00 0.00 178.44 179.96 2wb1 n GLY 925 N -1.41 -1.15 0.23 0.83 0.00 -1.26 -0.17 105.19 102.25 2wb1 n GLY 925 Ca 0.05 0.83 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 2wb1 n GLY 925 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wb1 h GLN 926 N 0.00 -0.01 0.12 1.61 5.75 -1.72 0.71 115.11 121.56 2wb1 h GLN 926 Ca 0.51 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 59.01 2wb1 h GLN 926 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2wb1 h GLN 926 CO -0.79 -0.01 -0.06 0.82 -2.65 0.00 0.00 178.83 176.14 2wb1 h ILE 927 N -0.01 1.00 -0.95 2.39 1.08 -0.69 -2.74 117.51 117.58 2wb1 h ILE 927 Ca 0.26 -0.50 0.16 0.00 -0.39 0.00 0.00 64.86 64.39 2wb1 h ILE 927 Cb 0.42 1.32 -0.08 0.00 -3.07 0.00 0.00 36.82 35.40 2wb1 h ILE 927 CO -0.58 0.12 0.60 0.24 -0.69 0.00 0.00 178.15 177.85 2wb1 h MET 928 N -0.40 0.71 -0.80 2.37 2.86 -0.60 0.38 114.93 119.46 2wb1 h MET 928 Ca -0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2wb1 h MET 928 Cb 0.33 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2wb1 h MET 928 CO 0.03 0.47 0.41 1.49 1.06 0.00 0.00 176.91 180.37 2wb1 h GLU 929 N 0.74 1.13 -0.32 1.72 4.81 0.50 -2.32 114.58 120.83 2wb1 h GLU 929 Ca 0.50 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 2wb1 h GLU 929 Cb 0.79 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2wb1 h GLU 929 CO -0.26 0.85 -0.13 0.78 -0.73 0.00 0.00 179.01 179.52 2wb1 h GLY 930 N 1.15 0.71 1.05 1.92 0.00 0.03 0.87 103.07 108.80 2wb1 h GLY 930 Ca 0.28 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2wb1 h GLY 930 CO -0.04 0.56 0.62 -2.22 0.00 0.00 0.00 176.54 175.46 2wb1 h ILE 931 N 0.42 1.25 0.00 2.60 2.04 -1.22 0.19 117.51 122.79 2wb1 h ILE 931 Ca 0.08 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 2wb1 h ILE 931 Cb 0.64 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2wb1 h ILE 931 CO 0.04 0.25 -1.08 0.00 0.00 0.00 0.00 178.15 177.36 2wb1 h ALA 932 N 1.38 0.60 -0.44 1.87 0.00 -1.37 -3.03 119.26 118.27 2wb1 h ALA 932 Ca 0.35 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wb1 h ALA 932 Cb -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wb1 h ALA 932 CO -0.07 0.42 -0.19 0.78 0.00 0.00 0.00 179.25 180.19 2wb1 h GLY 933 N 3.85 0.94 0.40 0.00 0.00 0.12 0.24 103.07 108.62 2wb1 h GLY 933 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 2wb1 h GLY 933 CO 0.02 0.72 -0.34 1.70 0.00 0.00 0.00 176.54 178.65 2wb1 h LYS 934 N 0.76 -0.69 -0.74 4.80 1.63 -0.74 -2.84 116.57 118.75 2wb1 h LYS 934 Ca 0.11 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.10 2wb1 h LYS 934 Cb 0.72 0.16 -0.14 0.00 -0.60 0.00 0.00 32.23 32.37 2wb1 h LYS 934 CO 0.06 -0.46 -0.23 -0.92 -3.45 0.00 0.00 179.45 174.45 2wb1 h TYR 935 N -0.72 -0.54 -0.25 1.91 3.20 -1.34 0.10 116.97 119.33 2wb1 h TYR 935 Ca -0.05 0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2wb1 h TYR 935 Cb 0.61 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2wb1 h TYR 935 CO -0.14 -0.34 -0.10 0.00 -1.64 0.00 0.00 178.16 175.94 2wb1 h ALA 936 N 1.60 0.11 0.00 1.82 0.00 -0.56 0.31 119.26 122.53 2wb1 h ALA 936 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wb1 h ALA 936 Cb 0.56 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wb1 h ALA 936 CO -0.78 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 177.96 2wb1 h ALA 937 N 1.16 1.00 0.12 0.00 0.00 -0.65 0.50 119.26 121.39 2wb1 h ALA 937 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 2wb1 h ALA 937 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wb1 h ALA 937 CO -0.29 0.00 -1.14 -0.07 0.00 0.00 0.00 179.25 177.75 2wb1 h LEU 938 N 0.00 0.41 0.12 0.00 3.38 -0.02 -3.41 115.31 115.80 2wb1 h LEU 938 Ca 0.00 -0.89 -0.32 0.00 0.09 0.00 0.00 57.88 56.77 2wb1 h LEU 938 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2wb1 h LEU 938 CO 0.00 1.51 -1.65 0.77 0.09 0.00 0.00 178.44 179.16 2wb1 h SER 939 N -0.35 0.40 0.00 -0.43 4.64 -0.35 -3.49 113.55 113.97 2wb1 h SER 939 Ca -0.23 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 2wb1 h SER 939 Cb 1.70 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2wb1 h SER 939 CO 0.09 1.72 0.00 0.61 -0.87 0.00 0.00 176.83 178.38 2wb1 n GLY 940 N 1.81 0.80 3.55 -0.77 0.00 0.17 -5.07 105.19 105.68 2wb1 n GLY 940 Ca -0.28 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 2wb1 n GLY 940 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 941 N -2.17 5.00 0.40 1.61 0.02 -1.23 -5.03 114.94 113.54 2wb1 s ASN 941 Ca 0.00 -0.05 0.21 0.00 -1.02 0.00 0.00 52.86 52.00 2wb1 s ASN 941 Cb 0.00 -1.76 0.72 0.00 0.02 0.00 0.00 41.25 40.23 2wb1 s ASN 941 CO 0.00 0.20 1.74 0.16 0.02 0.00 0.00 177.10 179.22 2wb1 h ILE 942 N 4.95 0.69 -3.77 0.60 3.07 -1.97 -3.37 117.51 117.72 2wb1 h ILE 942 Ca -0.35 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 64.67 2wb1 h ILE 942 Cb 1.19 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 2wb1 h ILE 942 CO 0.63 0.30 -0.65 0.52 -1.05 0.00 0.00 178.15 177.90 2wb1 n VAL 943 N -3.41 -9.62 -3.23 0.16 0.31 -1.26 -0.33 118.33 100.96 2wb1 n VAL 943 Ca 0.00 2.12 -0.40 0.00 -0.01 0.00 0.00 64.34 66.05 2wb1 n VAL 943 Cb 0.50 -5.03 -0.07 0.00 -0.91 0.00 0.00 33.84 28.32 2wb1 n VAL 943 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2wb1 s ASP 944 N -0.40 6.47 0.00 4.52 -4.77 -1.26 -0.95 116.67 120.28 2wb1 s ASP 944 Ca 0.00 0.56 0.22 0.00 -3.30 0.00 0.00 52.55 50.03 2wb1 s ASP 944 Cb 0.00 -2.29 0.51 0.00 -1.09 0.00 0.00 42.92 40.06 2wb1 s ASP 944 CO 0.00 -0.28 1.44 0.00 0.70 0.00 0.00 175.17 177.04 2wb1 n ALA 945 N 5.43 2.44 -0.43 2.11 0.00 0.64 -4.75 120.51 125.95 2wb1 n ALA 945 Ca -0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 2wb1 n ALA 945 Cb 0.50 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2wb1 n ALA 945 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wb1 n THR 946 N 1.23 0.00 -1.58 0.00 -1.04 -1.22 -2.66 114.28 109.01 2wb1 n THR 946 Ca 0.19 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.76 2wb1 n THR 946 Cb 0.54 -0.12 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 2wb1 n THR 946 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wb1 n PRO 947 N 0.98 1.25 -0.86 -2.82 -0.04 -1.26 -4.17 135.00 128.08 2wb1 n PRO 947 Ca 0.08 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2wb1 n PRO 947 Cb -0.01 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2wb1 n PRO 947 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wb1 n PHE 948 N 0.04 -2.03 0.00 0.54 3.72 -1.26 -4.71 117.46 113.76 2wb1 n PHE 948 Ca 0.10 1.09 0.00 0.00 -0.05 0.00 0.00 57.45 58.59 2wb1 n PHE 948 Cb 0.33 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.39 2wb1 n PHE 948 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2wb1 n TYR 949 N 0.10 0.00 -2.07 1.38 4.19 -1.26 -4.88 117.16 114.61 2wb1 n TYR 949 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2wb1 n TYR 949 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2wb1 n TYR 949 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2wb1 n LYS 950 N 0.00 -2.48 -1.98 2.98 -0.00 -1.26 -3.83 118.16 111.59 2wb1 n LYS 950 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wb1 n LYS 950 Cb 0.00 -4.08 0.00 0.00 -0.00 0.00 0.00 35.03 30.95 2wb1 n LYS 950 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2wb1 n THR 951 N -2.04-12.97 -1.69 0.58 -1.04 -1.26 -4.77 114.28 91.09 2wb1 n THR 951 Ca 0.00 3.26 -0.45 0.00 -2.04 0.00 0.00 64.05 64.83 2wb1 n THR 951 Cb 0.37 -5.36 -0.04 0.00 -1.82 0.00 0.00 70.33 63.49 2wb1 n THR 951 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wb1 n PRO 952 N 1.79 2.35 0.28 -2.82 -0.02 -1.25 -4.91 135.00 130.42 2wb1 n PRO 952 Ca 0.00 0.85 0.14 0.00 -2.02 0.00 0.00 63.50 62.47 2wb1 n PRO 952 Cb 0.00 -2.64 0.85 0.00 -0.02 0.00 0.00 33.50 31.69 2wb1 n PRO 952 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2wb1 h ILE 953 N 3.65 0.62 -0.00 4.25 -2.65 -1.91 -0.46 117.51 121.00 2wb1 h ILE 953 Ca -0.44 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.45 2wb1 h ILE 953 Cb 1.24 0.98 0.00 0.00 -2.05 0.00 0.00 36.82 36.99 2wb1 h ILE 953 CO 0.91 0.00 -0.08 -1.84 0.03 0.00 0.00 178.15 177.16 2wb1 n GLU 954 N -3.98 0.72 -0.00 0.16 0.28 -1.26 -2.67 120.64 113.87 2wb1 n GLU 954 Ca -0.02 -0.21 -0.13 0.00 -0.16 0.00 0.00 57.16 56.64 2wb1 n GLU 954 Cb 0.12 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.35 2wb1 n GLU 954 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2wb1 h GLN 955 N 0.51 0.09 0.00 3.44 4.15 -1.45 -3.21 115.11 118.65 2wb1 h GLN 955 Ca 0.00 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 2wb1 h GLN 955 Cb 0.32 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2wb1 h GLN 955 CO 0.00 0.76 -0.48 -0.07 -1.93 0.00 0.00 178.83 177.11 2wb1 h LEU 956 N 0.03 0.00 -0.83 -2.39 3.38 -1.59 -3.19 115.31 110.72 2wb1 h LEU 956 Ca -0.30 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 2wb1 h LEU 956 Cb 2.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2wb1 h LEU 956 CO 0.09 0.48 -0.48 1.56 0.09 0.00 0.00 178.44 180.18 2wb1 h GLN 957 N 0.00 0.25 -0.01 1.13 4.20 -1.57 0.06 115.11 119.17 2wb1 h GLN 957 Ca -0.00 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 2wb1 h GLN 957 Cb 1.01 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 2wb1 h GLN 957 CO 0.06 0.68 -0.79 -0.91 -0.67 0.00 0.00 178.83 177.20 2wb1 h ASN 958 N 0.20 0.13 0.80 1.46 4.21 -1.64 -3.29 115.58 117.46 2wb1 h ASN 958 Ca 0.01 -0.10 -0.09 0.00 1.21 0.00 0.00 56.30 57.32 2wb1 h ASN 958 Cb 0.93 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 2wb1 h ASN 958 CO 0.08 0.86 -0.45 -0.33 -1.29 0.00 0.00 177.43 176.30 2wb1 h GLU 959 N 0.06 0.00 0.00 0.81 4.39 -1.34 -3.00 114.58 115.50 2wb1 h GLU 959 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2wb1 h GLU 959 Cb 1.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2wb1 h GLU 959 CO 0.11 0.45 -0.15 -0.84 -1.16 0.00 0.00 179.01 177.42 2wb1 h ILE 960 N 0.00 0.30 -0.41 3.13 3.07 -1.08 -3.20 117.51 119.33 2wb1 h ILE 960 Ca -0.00 -1.13 -0.09 0.00 1.55 0.00 0.00 64.86 65.18 2wb1 h ILE 960 Cb 0.97 1.90 -0.02 0.00 -0.27 0.00 0.00 36.82 39.40 2wb1 h ILE 960 CO 0.06 0.15 -0.12 0.25 -1.05 0.00 0.00 178.15 177.43 2wb1 h LEU 961 N 0.00 0.72 -0.27 0.16 6.46 -1.56 -3.12 115.31 117.70 2wb1 h LEU 961 Ca -0.00 -0.22 -0.19 0.00 -0.12 0.00 0.00 57.88 57.35 2wb1 h LEU 961 Cb 0.89 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2wb1 h LEU 961 CO 0.02 0.87 -0.88 0.11 -0.62 0.00 0.00 178.44 177.93 2wb1 h LYS 962 N 0.67 0.11 0.00 1.25 1.57 -1.63 -3.25 116.57 115.28 2wb1 h LYS 962 Ca 0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wb1 h LYS 962 Cb 0.59 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wb1 h LYS 962 CO 0.04 0.92 0.00 0.66 -0.57 0.00 0.00 179.45 180.50 2wb1 n TYR 963 N -3.59 0.00 0.00 -1.35 4.02 -1.22 -4.79 117.16 110.24 2wb1 n TYR 963 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2wb1 n TYR 963 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 2wb1 n TYR 963 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wb1 n GLY 964 N 0.34 0.74 3.67 2.72 0.00 -1.22 -5.08 105.19 106.36 2wb1 n GLY 964 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2wb1 n GLY 964 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 965 N -2.00 2.03 0.15 1.61 1.51 -1.18 -5.08 117.35 114.40 2wb1 s TYR 965 Ca 0.00 -0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 54.85 2wb1 s TYR 965 Cb 0.00 -1.58 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 2wb1 s TYR 965 CO 0.00 0.21 0.93 -0.51 -1.11 0.00 0.00 175.55 175.07 2wb1 s LEU 966 N -3.78 4.55 0.44 -1.29 1.43 -1.26 -3.52 118.68 115.26 2wb1 s LEU 966 Ca 0.18 1.81 0.15 0.00 -1.03 0.00 0.00 54.13 55.23 2wb1 s LEU 966 Cb 0.04 -3.55 0.98 0.00 0.03 0.00 0.00 46.19 43.69 2wb1 s LEU 966 CO 0.09 0.04 1.97 1.55 0.23 0.00 0.00 176.35 180.23 2wb1 h PRO 967 N 5.02 0.00 -0.62 1.29 0.13 -1.84 -1.75 132.00 134.23 2wb1 h PRO 967 Ca -0.44 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.87 2wb1 h PRO 967 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2wb1 h PRO 967 CO 0.70 0.21 0.44 0.22 -0.23 0.00 0.00 178.00 179.34 2wb1 h ASP 968 N 0.00 0.02 -0.06 1.44 -0.00 -1.93 -3.46 116.42 112.43 2wb1 h ASP 968 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 2wb1 h ASP 968 Cb 0.37 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.69 2wb1 h ASP 968 CO 0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 179.24 179.25 2wb1 n ALA 969 N -2.65 -0.02 -4.10 -0.78 0.00 -0.66 -5.02 120.51 107.28 2wb1 n ALA 969 Ca 0.12 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2wb1 n ALA 969 Cb 0.68 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.43 2wb1 n ALA 969 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wb1 s THR 970 N -1.84 2.02 0.61 0.00 -4.23 -1.26 -2.16 115.64 108.78 2wb1 s THR 970 Ca 0.00 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 2wb1 s THR 970 Cb 0.00 -1.90 0.11 0.00 1.34 0.00 0.00 72.50 72.05 2wb1 s THR 970 CO 0.00 0.42 0.84 -0.62 -0.54 0.00 0.00 174.62 174.71 2wb1 n GLU 971 N 4.60 0.35 -3.57 3.99 1.02 0.83 -4.75 120.64 123.11 2wb1 n GLU 971 Ca -0.19 -2.84 -0.38 0.00 -0.02 0.00 0.00 57.16 53.73 2wb1 n GLU 971 Cb 0.48 -0.38 -0.10 0.00 -0.02 0.00 0.00 31.44 31.42 2wb1 n GLU 971 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 s VAL 972 N -2.63 5.30 0.23 2.62 0.11 -1.26 -0.28 120.40 124.49 2wb1 s VAL 972 Ca 0.60 0.26 0.10 0.00 -2.93 0.00 0.00 61.98 60.01 2wb1 s VAL 972 Cb -0.04 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 2wb1 s VAL 972 CO 0.39 0.26 -0.19 0.42 -3.33 0.00 0.00 175.10 172.65 2wb1 s THR 973 N 1.59 2.18 -0.03 5.04 -4.23 -1.26 -3.39 115.64 115.54 2wb1 s THR 973 Ca 0.09 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 2wb1 s THR 973 Cb -0.15 -2.14 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 2wb1 s THR 973 CO 0.09 -0.39 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.33 2wb1 s TYR 974 N -2.42 1.35 -0.66 3.99 1.51 -0.14 -1.86 117.35 119.11 2wb1 s TYR 974 Ca 0.25 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.70 2wb1 s TYR 974 Cb -0.05 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2wb1 s TYR 974 CO 0.11 -0.11 1.90 0.34 -1.11 0.00 0.00 175.55 176.68 2wb1 s ASP 975 N 0.01 5.20 0.58 2.29 3.68 -0.24 -2.15 116.67 126.03 2wb1 s ASP 975 Ca -0.01 0.17 0.28 0.00 2.13 0.00 0.00 52.55 55.12 2wb1 s ASP 975 Cb -0.09 -2.53 1.51 0.00 -1.45 0.00 0.00 42.92 40.35 2wb1 s ASP 975 CO 0.01 -2.48 1.96 1.23 0.13 0.00 0.00 175.17 176.01 2wb1 h GLY 976 N 16.90 0.00 0.88 2.66 0.00 -1.78 0.71 103.07 122.44 2wb1 h GLY 976 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 2wb1 h GLY 976 CO 1.21 0.00 -0.62 0.07 0.00 0.00 0.00 176.54 177.21 2wb1 h ARG 977 N 0.00 0.50 0.00 4.80 -0.00 -1.78 -3.40 114.38 114.50 2wb1 h ARG 977 Ca 0.20 -0.48 0.00 0.00 -0.00 0.00 0.00 59.98 59.70 2wb1 h ARG 977 Cb 1.02 0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 2wb1 h ARG 977 CO -0.00 1.11 -0.28 0.00 -0.00 0.00 0.00 179.97 180.80 2wb1 h THR 978 N 0.06 0.00 0.00 0.08 1.03 -1.73 -3.50 112.91 108.85 2wb1 h THR 978 Ca -0.06 -0.83 0.00 0.00 -0.01 0.00 0.00 66.41 65.51 2wb1 h THR 978 Cb 1.29 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 2wb1 h THR 978 CO 0.12 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.24 2wb1 n GLY 979 N 1.70 0.99 3.86 2.99 0.00 0.24 -5.07 105.19 109.90 2wb1 n GLY 979 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2wb1 n GLY 979 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wb1 s GLN 980 N 0.00 3.91 0.05 1.61 -2.07 -1.25 -4.79 119.66 117.12 2wb1 s GLN 980 Ca 0.00 0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 53.66 2wb1 s GLN 980 Cb 0.00 -2.75 -0.05 0.00 -1.09 0.00 0.00 33.01 29.13 2wb1 s GLN 980 CO 0.00 0.37 1.06 -1.59 -1.32 0.00 0.00 175.29 173.81 2wb1 s LYS 981 N -2.45 4.54 0.68 9.60 -2.85 -1.26 -1.08 119.74 126.91 2wb1 s LYS 981 Ca 0.44 1.57 -0.17 0.00 -1.00 0.00 0.00 55.97 56.81 2wb1 s LYS 981 Cb -0.13 -3.40 0.01 0.00 -2.06 0.00 0.00 37.83 32.25 2wb1 s LYS 981 CO 0.20 -0.08 1.25 0.44 0.10 0.00 0.00 175.35 177.26 2wb1 n ILE 982 N 3.65 4.32 0.63 3.79 -6.64 -0.78 -4.89 119.36 119.44 2wb1 n ILE 982 Ca 0.06 -0.44 0.08 0.00 -1.77 0.00 0.00 62.75 60.68 2wb1 n ILE 982 Cb 0.49 -1.41 0.23 0.00 -1.44 0.00 0.00 39.64 37.50 2wb1 n ILE 982 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 2wb1 n LYS 983 N -2.12 2.03 0.00 6.28 4.81 -1.26 -4.41 118.16 123.49 2wb1 n LYS 983 Ca 0.15 -1.60 0.00 0.00 -0.87 0.00 0.00 58.31 56.00 2wb1 n LYS 983 Cb 0.48 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2wb1 n LYS 983 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wb1 n SER 984 N 0.80 2.92 -0.79 3.14 2.88 -1.26 -5.14 113.62 116.17 2wb1 n SER 984 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2wb1 n SER 984 Cb 0.39 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 2wb1 n SER 984 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wb1 n ARG 985 N -1.12 -0.44 -3.94 -1.46 1.74 -1.26 -5.07 116.66 105.11 2wb1 n ARG 985 Ca 0.00 0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 57.51 2wb1 n ARG 985 Cb 0.14 -0.51 -0.06 0.00 -1.02 0.00 0.00 32.46 31.02 2wb1 n ARG 985 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wb1 s ILE 986 N -0.04 5.33 -0.08 0.55 -1.09 0.61 -4.85 121.20 121.63 2wb1 s ILE 986 Ca 0.00 -0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 2wb1 s ILE 986 Cb 0.00 -3.42 -0.07 0.00 -1.58 0.00 0.00 42.46 37.39 2wb1 s ILE 986 CO 0.00 0.43 2.06 -0.47 -1.23 0.00 0.00 174.94 175.73 2wb1 s TYR 987 N -1.20 1.27 -0.20 3.97 6.14 -1.26 -0.12 117.35 125.95 2wb1 s TYR 987 Ca 0.22 0.01 0.01 0.00 0.64 0.00 0.00 57.07 57.95 2wb1 s TYR 987 Cb -0.12 -4.10 0.05 0.00 0.42 0.00 0.00 41.96 38.20 2wb1 s TYR 987 CO 0.13 -4.82 -0.08 -0.06 0.64 0.00 0.00 175.55 171.35 2wb1 s PHE 988 N 6.13 2.29 0.14 4.97 0.40 -0.92 -2.65 117.98 128.35 2wb1 s PHE 988 Ca 0.93 -1.54 -0.16 0.00 -0.60 0.00 0.00 56.93 55.55 2wb1 s PHE 988 Cb -0.38 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2wb1 s PHE 988 CO 0.38 -0.73 0.43 0.20 0.70 0.00 0.00 175.22 176.21 2wb1 s GLY 989 N 1.44 -0.22 -0.05 4.36 0.00 -0.93 -4.60 107.32 107.31 2wb1 s GLY 989 Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.42 2wb1 s GLY 989 CO -0.08 -0.30 0.51 0.14 0.00 0.00 0.00 173.10 173.38 2wb1 s VAL 990 N -3.82 5.04 -0.04 1.40 1.01 -1.16 -0.11 120.40 122.73 2wb1 s VAL 990 Ca 0.05 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2wb1 s VAL 990 Cb 0.01 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2wb1 s VAL 990 CO -0.10 0.41 -0.05 -0.69 0.00 0.00 0.00 175.10 174.68 2wb1 s VAL 991 N -0.02 0.50 -0.11 2.92 1.01 0.26 -3.10 120.40 121.87 2wb1 s VAL 991 Ca 0.28 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2wb1 s VAL 991 Cb -0.17 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2wb1 s VAL 991 CO 0.14 0.20 1.37 -0.47 0.00 0.00 0.00 175.10 176.34 2wb1 s TYR 992 N 0.72 2.67 0.00 5.22 5.04 -1.26 -1.53 117.35 128.21 2wb1 s TYR 992 Ca -0.09 0.81 0.08 0.00 -2.44 0.00 0.00 57.07 55.42 2wb1 s TYR 992 Cb -0.12 -3.61 -0.02 0.00 0.35 0.00 0.00 41.96 38.55 2wb1 s TYR 992 CO 0.00 -2.27 -0.24 0.71 -1.34 0.00 0.00 175.55 172.41 2wb1 s TYR 993 N 3.38 2.39 -0.08 4.97 2.02 0.17 -3.94 117.35 126.25 2wb1 s TYR 993 Ca 0.60 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 2wb1 s TYR 993 Cb -0.26 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2wb1 s TYR 993 CO 0.20 0.06 -0.24 1.14 -1.57 0.00 0.00 175.55 175.13 2wb1 s GLN 994 N -0.87 2.85 -0.21 -0.62 -2.07 -0.23 -1.58 119.66 116.93 2wb1 s GLN 994 Ca 0.11 -0.89 -0.17 0.00 -1.82 0.00 0.00 55.36 52.59 2wb1 s GLN 994 Cb -0.10 -2.25 -0.03 0.00 -1.09 0.00 0.00 33.01 29.54 2wb1 s GLN 994 CO 0.01 0.26 0.48 0.21 -1.32 0.00 0.00 175.29 174.93 2wb1 s LYS 995 N 0.13 4.15 0.22 9.60 2.20 -1.26 -0.96 119.74 133.83 2wb1 s LYS 995 Ca -0.12 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2wb1 s LYS 995 Cb -0.16 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 2wb1 s LYS 995 CO 0.07 -0.16 0.43 -0.51 -0.36 0.00 0.00 175.35 174.81 2wb1 s LEU 996 N 1.69 4.19 0.45 5.43 1.02 -0.15 -2.55 118.68 128.76 2wb1 s LEU 996 Ca 0.22 0.47 0.31 0.00 0.02 0.00 0.00 54.13 55.15 2wb1 s LEU 996 Cb -0.15 -3.25 1.53 0.00 0.02 0.00 0.00 46.19 44.33 2wb1 s LEU 996 CO 0.09 -0.08 1.94 1.12 0.02 0.00 0.00 176.35 179.44 2wb1 h HIS 997 N 1.92 0.00 -1.34 0.29 2.07 -1.70 -3.41 115.15 112.98 2wb1 h HIS 997 Ca -0.48 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 56.67 2wb1 h HIS 997 Cb 1.19 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.14 2wb1 h HIS 997 CO 0.56 0.00 1.05 -1.01 -3.07 0.00 0.00 177.93 175.46 2wb1 s HIS 998 N -3.69 1.54 -0.03 6.12 3.76 -1.26 -4.94 115.29 116.78 2wb1 s HIS 998 Ca -0.01 1.03 0.06 0.00 -0.15 0.00 0.00 55.06 55.99 2wb1 s HIS 998 Cb 0.09 -3.91 -0.02 0.00 1.11 0.00 0.00 32.58 29.86 2wb1 s HIS 998 CO 0.37 -2.09 -0.22 -1.64 -0.85 0.00 0.00 174.74 170.31 2wb1 s MET 999 N 7.48 2.28 0.41 1.40 -1.94 -1.26 -2.12 119.30 125.55 2wb1 s MET 999 Ca 0.76 -0.86 0.10 0.00 -1.71 0.00 0.00 55.69 53.99 2wb1 s MET 999 Cb -0.12 -2.16 0.92 0.00 2.01 0.00 0.00 34.83 35.49 2wb1 s MET 999 CO 0.14 0.56 2.00 -0.24 -0.01 0.00 0.00 175.02 177.47 2wb1 h VAL 1000N 4.51 0.99 -0.79 -6.03 3.04 -1.92 -0.11 116.25 115.93 2wb1 h VAL 1000Ca -0.43 -0.18 0.11 0.00 -1.01 0.00 0.00 66.70 65.19 2wb1 h VAL 1000Cb 1.14 0.42 -0.06 0.00 -2.01 0.00 0.00 31.29 30.78 2wb1 h VAL 1000CO 0.48 0.09 0.52 0.00 -1.01 0.00 0.00 177.57 177.65 2wb1 h ALA 1001N 1.70 1.82 0.00 3.17 0.00 -1.95 0.38 119.26 124.38 2wb1 h ALA 1001Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wb1 h ALA 1001Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wb1 h ALA 1001CO -0.07 0.01 -0.26 -0.44 0.00 0.00 0.00 179.25 178.48 2wb1 h ASP 1002N 0.68 0.00 0.15 0.00 3.45 -1.42 -3.36 116.42 115.91 2wb1 h ASP 1002Ca 0.37 -0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.48 2wb1 h ASP 1002Cb 0.53 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.23 2wb1 h ASP 1002CO -0.14 0.00 -2.19 0.29 -1.57 0.00 0.00 179.24 175.63 2wb1 n LYS 1003N -2.94 0.67 -1.72 3.56 4.76 0.30 -4.95 118.16 117.84 2wb1 n LYS 1003Ca 0.03 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 2wb1 n LYS 1003Cb 0.53 -1.61 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2wb1 n LYS 1003CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2wb1 n ILE 1004N -2.90 1.98 -3.06 -0.18 3.06 0.11 -4.97 119.36 113.39 2wb1 n ILE 1004Ca -0.29 -0.49 0.04 0.00 -2.50 0.00 0.00 62.75 59.51 2wb1 n ILE 1004Cb 1.11 -1.71 0.00 0.00 0.54 0.00 0.00 39.64 39.58 2wb1 n ILE 1004CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 2wb1 s HIS 1005N -1.08 -0.60 -0.04 9.51 5.65 -1.26 -5.01 115.29 122.46 2wb1 s HIS 1005Ca 0.55 0.28 0.06 0.00 0.25 0.00 0.00 55.06 56.20 2wb1 s HIS 1005Cb -0.54 0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 30.96 2wb1 s HIS 1005CO 0.62 -0.36 -0.22 0.00 -0.65 0.00 0.00 174.74 174.14 2wb1 s ALA 1006N 2.68 1.87 -0.31 1.58 0.00 -1.26 -5.06 121.76 121.25 2wb1 s ALA 1006Ca 0.23 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2wb1 s ALA 1006Cb -0.01 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.64 2wb1 s ALA 1006CO -0.21 0.38 0.09 1.03 0.00 0.00 0.00 175.76 177.05 2wb1 s ARG 1007N -0.17 0.74 -0.02 0.00 0.52 -1.26 -4.97 118.95 113.79 2wb1 s ARG 1007Ca -0.01 -1.10 -0.13 0.00 -0.52 0.00 0.00 55.73 53.98 2wb1 s ARG 1007Cb -0.12 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.25 2wb1 s ARG 1007CO 0.02 -0.98 0.64 0.00 0.02 0.00 0.00 175.30 175.00 2wb1 h ALA 1008N 8.07 -0.57 -1.54 2.13 0.00 -2.00 -3.44 119.26 121.91 2wb1 h ALA 1008Ca -0.13 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 2wb1 h ALA 1008Cb 1.02 0.18 -0.26 0.00 0.00 0.00 0.00 17.79 18.72 2wb1 h ALA 1008CO 0.47 -0.54 -0.59 0.50 0.00 0.00 0.00 179.25 179.09 2wb1 s ARG 1009N -3.13 0.73 0.58 0.00 3.52 -1.26 -5.04 118.95 114.34 2wb1 s ARG 1009Ca -0.07 -0.63 0.10 0.00 -0.13 0.00 0.00 55.73 55.00 2wb1 s ARG 1009Cb 0.01 -0.38 0.09 0.00 -1.56 0.00 0.00 34.95 33.10 2wb1 s ARG 1009CO 0.20 -1.20 0.78 0.20 -0.81 0.00 0.00 175.30 174.47 2wb1 s GLY 1010N 1.58 1.76 0.92 8.12 0.00 -1.10 -4.93 107.32 113.67 2wb1 s GLY 1010Ca 0.17 -2.11 -0.11 0.00 0.00 0.00 0.00 44.72 42.67 2wb1 s GLY 1010CO -0.04 -1.70 1.10 2.56 0.00 0.00 0.00 173.10 175.01 2wb1 s PRO 1011N -4.65 0.99 0.29 2.90 0.04 -1.26 -4.78 135.00 128.53 2wb1 s PRO 1011Ca 0.60 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.92 2wb1 s PRO 1011Cb -0.05 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2wb1 s PRO 1011CO 0.38 -2.53 -0.07 0.14 0.04 0.00 0.00 177.00 174.96 2wb1 s VAL 1012N -2.74 2.84 0.09 -0.36 -7.23 -1.26 -2.69 120.40 109.05 2wb1 s VAL 1012Ca 0.65 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2wb1 s VAL 1012Cb -0.21 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 2wb1 s VAL 1012CO 0.58 -0.33 1.04 -1.10 -0.31 0.00 0.00 175.10 174.99 2wb1 s GLN 1013N -3.63 4.58 0.04 4.82 -0.21 -0.62 -4.84 119.66 119.80 2wb1 s GLN 1013Ca 0.32 1.57 0.09 0.00 0.02 0.00 0.00 55.36 57.35 2wb1 s GLN 1013Cb -0.04 -3.37 0.38 0.00 1.00 0.00 0.00 33.01 30.98 2wb1 s GLN 1013CO 0.18 0.02 1.27 0.44 -2.12 0.00 0.00 175.29 175.07 2wb1 n ILE 1014N 3.23 1.47 -0.11 1.08 -5.35 -1.26 -0.56 119.36 117.86 2wb1 n ILE 1014Ca 0.05 0.40 -0.24 0.00 -0.27 0.00 0.00 62.75 62.69 2wb1 n ILE 1014Cb 0.48 -1.30 -0.11 0.00 -1.74 0.00 0.00 39.64 36.97 2wb1 n ILE 1014CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2wb1 n LEU 1015N -1.59 1.97 -0.00 7.28 -0.00 -1.26 -4.63 117.00 118.77 2wb1 n LEU 1015Ca 0.01 0.37 0.10 0.00 -0.00 0.00 0.00 56.01 56.49 2wb1 n LEU 1015Cb 0.08 -0.93 -0.12 0.00 -0.00 0.00 0.00 43.42 42.45 2wb1 n LEU 1015CO 0.07 0.42 -0.10 0.35 -0.00 0.00 0.00 177.39 178.14 2wb1 n THR 1016N -4.29 0.00 -4.14 1.96 -2.24 -1.11 -4.98 114.28 99.48 2wb1 n THR 1016Ca -0.40 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 2wb1 n THR 1016Cb 0.78 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 2wb1 n THR 1016CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wb1 n ARG 1017N -1.54 -3.26 -4.46 -0.78 3.00 0.28 -4.50 116.66 105.40 2wb1 n ARG 1017Ca 0.03 0.38 -0.24 0.00 -0.01 0.00 0.00 57.85 58.01 2wb1 n ARG 1017Cb 0.34 -4.92 -0.13 0.00 0.00 0.00 0.00 32.46 27.74 2wb1 n ARG 1017CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2wb1 s GLN 1018N -6.83 1.23 0.31 5.56 -0.21 -1.25 -4.46 119.66 114.01 2wb1 s GLN 1018Ca 0.52 -1.01 -0.28 0.00 0.02 0.00 0.00 55.36 54.60 2wb1 s GLN 1018Cb -0.28 -1.39 -0.13 0.00 1.00 0.00 0.00 33.01 32.21 2wb1 s GLN 1018CO 0.91 0.34 1.19 -2.30 -2.12 0.00 0.00 175.29 173.32 2wb1 n PRO 1019N 1.54 1.81 -1.43 2.91 -0.02 -1.26 -1.59 135.00 136.96 2wb1 n PRO 1019Ca -0.18 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 2wb1 n PRO 1019Cb 0.54 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.96 2wb1 n PRO 1019CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wb1 s THR 1020N -0.97 2.27 -0.07 3.45 -4.23 -1.09 -4.66 115.64 110.34 2wb1 s THR 1020Ca 0.58 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 61.08 2wb1 s THR 1020Cb -0.63 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 2wb1 s THR 1020CO 0.60 -0.07 0.36 -0.70 -0.54 0.00 0.00 174.62 174.27 2wb1 s GLU 1021N -3.89 4.00 0.00 3.99 -6.30 -1.26 -3.42 118.70 111.82 2wb1 s GLU 1021Ca 0.75 0.28 0.00 0.00 -2.50 0.00 0.00 54.97 53.50 2wb1 s GLU 1021Cb -0.30 -3.30 0.00 0.00 0.00 0.00 0.00 34.13 30.54 2wb1 s GLU 1021CO 0.45 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.66 2wb1 n GLY 1022N 2.41 3.08 0.20 -1.50 0.00 -1.26 -4.73 105.19 103.39 2wb1 n GLY 1022Ca -0.13 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 2wb1 n GLY 1022CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wb1 h ARG 1023N 0.00 -0.41 -0.57 1.61 2.43 -1.95 -1.21 114.38 114.28 2wb1 h ARG 1023Ca 0.00 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2wb1 h ARG 1023Cb 0.00 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2wb1 h ARG 1023CO 0.00 -0.19 0.38 0.00 -1.51 0.00 0.00 179.97 178.65 2wb1 h ALA 1024N 0.06 1.71 -0.73 2.80 0.00 -1.99 0.30 119.26 121.41 2wb1 h ALA 1024Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wb1 h ALA 1024Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wb1 h ALA 1024CO 0.07 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.09 2wb1 n ARG 1025N -4.47 2.94 0.00 0.00 1.74 -1.22 -4.41 116.66 111.24 2wb1 n ARG 1025Ca 0.07 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 2wb1 n ARG 1025Cb 0.14 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2wb1 n ARG 1025CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2wb1 n GLU 1026N 1.58 0.00 0.00 5.56 0.00 0.09 -4.67 120.64 123.20 2wb1 n GLU 1026Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.41 2wb1 n GLU 1026Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 2wb1 n GLU 1026CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wb1 n GLY 1027N 0.00 2.02 0.00 -1.84 0.00 -1.26 -4.14 105.19 99.96 2wb1 n GLY 1027Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2wb1 n GLY 1027CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wb1 n GLY 1028N 0.00 1.01 0.00 -0.02 0.00 -1.22 -2.71 105.19 102.25 2wb1 n GLY 1028Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wb1 n GLY 1028CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wb1 n LEU 1029N 0.00 0.00 -3.96 0.99 4.77 -1.26 -4.62 117.00 112.92 2wb1 n LEU 1029Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2wb1 n LEU 1029Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2wb1 n LEU 1029CO 0.00 0.00 -0.34 -0.60 -1.33 0.00 0.00 177.39 175.12 2wb1 s ARG 1030N 0.00 0.31 -0.41 3.23 3.52 -1.26 -4.98 118.95 119.35 2wb1 s ARG 1030Ca 0.00 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.09 2wb1 s ARG 1030Cb 0.00 0.11 0.15 0.00 -1.56 0.00 0.00 34.95 33.65 2wb1 s ARG 1030CO 0.00 -0.05 0.28 0.12 -0.81 0.00 0.00 175.30 174.84 2wb1 s PHE 1031N -1.33 1.30 1.03 5.12 5.36 -1.26 -5.10 117.98 123.09 2wb1 s PHE 1031Ca -0.15 -2.14 -0.16 0.00 -0.96 0.00 0.00 56.93 53.52 2wb1 s PHE 1031Cb -0.09 -1.24 0.21 0.00 -0.34 0.00 0.00 43.02 41.57 2wb1 s PHE 1031CO -0.01 -0.80 1.20 0.20 -1.46 0.00 0.00 175.22 174.35 2wb1 s GLY 1032N 0.40 1.65 0.51 13.12 0.00 -1.26 -4.76 107.32 116.98 2wb1 s GLY 1032Ca 0.23 -0.92 0.21 0.00 0.00 0.00 0.00 44.72 44.24 2wb1 s GLY 1032CO -0.08 -0.17 2.02 0.83 0.00 0.00 0.00 173.10 175.71 2wb1 h GLU 1033N -1.93 0.10 0.00 2.90 3.07 -2.00 0.17 114.58 116.89 2wb1 h GLU 1033Ca -0.46 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.31 2wb1 h GLU 1033Cb 1.28 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 2wb1 h GLU 1033CO 0.44 0.06 -0.39 0.52 -1.40 0.00 0.00 179.01 178.24 2wb1 h MET 1034N 0.10 0.00 0.00 2.33 2.86 -2.00 -2.86 114.93 115.36 2wb1 h MET 1034Ca 0.21 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.64 2wb1 h MET 1034Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2wb1 h MET 1034CO -0.02 0.39 -1.25 0.93 1.06 0.00 0.00 176.91 178.02 2wb1 h GLU 1035N 0.00 0.00 -0.35 1.72 3.07 -1.01 -3.00 114.58 115.01 2wb1 h GLU 1035Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2wb1 h GLU 1035Cb 0.73 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2wb1 h GLU 1035CO 0.05 0.55 -0.03 0.07 -1.40 0.00 0.00 179.01 178.25 2wb1 h ARG 1036N 0.00 0.56 -0.97 2.33 0.11 -1.36 -2.77 114.38 112.28 2wb1 h ARG 1036Ca -0.14 -0.13 0.03 0.00 0.10 0.00 0.00 59.98 59.84 2wb1 h ARG 1036Cb 1.72 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 32.67 2wb1 h ARG 1036CO 0.08 0.60 0.64 -0.44 0.10 0.00 0.00 179.97 180.95 2wb1 h ASP 1037N 0.53 1.07 -0.81 0.08 3.45 -1.39 0.17 116.42 119.52 2wb1 h ASP 1037Ca 0.11 -0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.66 2wb1 h ASP 1037Cb 0.39 -0.25 -0.08 0.00 -0.56 0.00 0.00 39.33 38.83 2wb1 h ASP 1037CO 0.02 0.74 0.44 0.00 -1.57 0.00 0.00 179.24 178.86 2wb1 h LEU 1039N 0.71 -0.02 -1.28 0.00 3.38 -0.67 -2.89 115.31 114.55 2wb1 h LEU 1039Ca 0.40 -0.75 0.23 0.00 0.09 0.00 0.00 57.88 57.86 2wb1 h LEU 1039Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2wb1 h LEU 1039CO -0.28 0.76 0.63 0.40 0.09 0.00 0.00 178.44 180.05 2wb1 h ILE 1040N -0.82 0.61 -0.99 1.22 2.04 -0.84 -0.21 117.51 118.52 2wb1 h ILE 1040Ca -0.00 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 65.80 2wb1 h ILE 1040Cb 0.76 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2wb1 h ILE 1040CO 0.00 0.09 0.62 1.23 0.00 0.00 0.00 178.15 180.10 2wb1 h GLY 1041N 0.51 1.57 1.55 5.37 0.00 -0.58 -1.08 103.07 110.40 2wb1 h GLY 1041Ca 0.57 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2wb1 h GLY 1041CO -0.31 0.17 -0.70 0.74 0.00 0.00 0.00 176.54 176.45 2wb1 h PHE 1042N 0.97 0.00 0.00 5.60 -1.00 -0.89 -3.48 116.94 118.15 2wb1 h PHE 1042Ca 0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.26 2wb1 h PHE 1042Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2wb1 h PHE 1042CO -0.00 0.29 0.00 0.41 -1.61 0.00 0.00 178.31 177.40 2wb1 n GLY 1043N 1.22 3.17 3.48 -1.45 0.00 -0.41 -4.96 105.19 106.25 2wb1 n GLY 1043Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2wb1 n GLY 1043CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wb1 n THR 1044N -1.88 0.00 0.06 2.61 5.66 -1.24 -4.77 114.28 114.72 2wb1 n THR 1044Ca 0.00 -0.49 -0.08 0.00 -3.05 0.00 0.00 64.05 60.44 2wb1 n THR 1044Cb 0.00 -0.55 0.06 0.00 -1.55 0.00 0.00 70.33 68.29 2wb1 n THR 1044CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wb1 h ALA 1045N 11.28 0.70 0.00 1.79 0.00 -1.93 -3.04 119.26 128.07 2wb1 h ALA 1045Ca 0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2wb1 h ALA 1045Cb 1.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2wb1 h ALA 1045CO 1.41 0.75 -0.76 0.52 0.00 0.00 0.00 179.25 181.17 2wb1 h MET 1046N 0.24 0.00 -0.22 0.00 2.86 -2.01 -3.05 114.93 112.76 2wb1 h MET 1046Ca -0.02 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2wb1 h MET 1046Cb 1.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2wb1 h MET 1046CO 0.11 0.76 -0.12 1.25 1.06 0.00 0.00 176.91 179.98 2wb1 h LEU 1047N 0.00 0.49 -1.05 1.22 5.85 -1.94 -2.10 115.31 117.78 2wb1 h LEU 1047Ca -0.01 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2wb1 h LEU 1047Cb 1.50 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 2wb1 h LEU 1047CO 0.10 0.80 0.63 0.25 -0.34 0.00 0.00 178.44 179.88 2wb1 h LEU 1048N 0.18 0.98 0.08 2.25 6.46 -1.53 -2.35 115.31 121.38 2wb1 h LEU 1048Ca 0.05 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2wb1 h LEU 1048Cb 0.62 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2wb1 h LEU 1048CO 0.03 0.60 -0.04 0.50 -0.62 0.00 0.00 178.44 178.91 2wb1 h LYS 1049N 1.09 -0.11 -1.26 1.25 3.64 -1.48 -2.77 116.57 116.93 2wb1 h LYS 1049Ca 0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2wb1 h LYS 1049Cb 0.26 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2wb1 h LYS 1049CO -0.19 0.33 0.00 -3.47 -2.27 0.00 0.00 179.45 173.85 2wb1 n ASP 1050N -4.92 3.03 0.00 4.20 -0.08 -0.80 -0.48 116.55 117.50 2wb1 n ASP 1050Ca -0.09 -1.86 0.00 0.00 -1.51 0.00 0.00 54.79 51.33 2wb1 n ASP 1050Cb 0.25 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.17 2wb1 n ASP 1050CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wb1 n ARG 1051N 0.72 0.00 0.00 -0.67 3.00 -1.03 -4.62 116.66 114.07 2wb1 n ARG 1051Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wb1 n ARG 1051Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.80 2wb1 n ARG 1051CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2wb1 n LEU 1052N 0.00 0.00 0.08 6.15 7.94 -0.82 -4.84 117.00 125.50 2wb1 n LEU 1052Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wb1 n LEU 1052Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2wb1 n LEU 1052CO 0.00 0.03 -0.03 -0.11 -1.11 0.00 0.00 177.39 176.17 2wb1 n LEU 1053N 0.00 0.01 0.28 -1.96 0.00 0.37 -4.84 117.00 110.85 2wb1 n LEU 1053Ca 0.00 0.26 0.14 0.00 0.00 0.00 0.00 56.01 56.42 2wb1 n LEU 1053Cb 0.17 0.18 0.80 0.00 0.00 0.00 0.00 43.42 44.56 2wb1 n LEU 1053CO 0.00 -0.64 1.02 0.44 0.00 0.00 0.00 177.39 178.21 2wb1 h ASP 1054N 0.00 0.00 -1.36 1.96 3.45 -1.78 -3.24 116.42 115.45 2wb1 h ASP 1054Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 2wb1 h ASP 1054Cb 0.06 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.42 2wb1 h ASP 1054CO 0.00 0.08 -0.84 0.59 -1.57 0.00 0.00 179.24 177.50 2wb1 n ASN 1055N -3.57 3.96 0.06 6.45 3.02 -1.26 -4.79 115.26 119.12 2wb1 n ASN 1055Ca -0.02 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 2wb1 n ASN 1055Cb 0.21 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2wb1 n ASN 1055CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wb1 n SER 1056N -0.40 -0.60 -2.74 6.41 7.64 -1.22 -4.81 113.62 117.90 2wb1 n SER 1056Ca 0.32 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.32 2wb1 n SER 1056Cb 0.71 0.74 0.07 0.00 -1.01 0.00 0.00 64.21 64.72 2wb1 n SER 1056CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2wb1 n ASP 1057N -2.80 -0.44 -4.59 6.43 3.85 -1.25 -4.59 116.55 113.16 2wb1 n ASP 1057Ca 0.00 -2.76 -0.42 0.00 -0.71 0.00 0.00 54.79 50.90 2wb1 n ASP 1057Cb 0.00 0.38 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 2wb1 n ASP 1057CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2wb1 s ARG 1058N -1.29 3.15 0.24 0.11 0.52 -1.25 -1.67 118.95 118.75 2wb1 s ARG 1058Ca 0.26 1.33 0.01 0.00 -0.52 0.00 0.00 55.73 56.81 2wb1 s ARG 1058Cb 0.40 -4.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 2wb1 s ARG 1058CO -0.04 -2.09 0.09 0.99 0.02 0.00 0.00 175.30 174.28 2wb1 s THR 1059N 7.60 0.52 0.26 0.02 2.01 -1.23 -4.97 115.64 119.84 2wb1 s THR 1059Ca 0.80 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.87 2wb1 s THR 1059Cb -0.21 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2wb1 s THR 1059CO 0.31 -0.05 0.21 0.42 -0.69 0.00 0.00 174.62 174.83 2wb1 s THR 1060N -3.78 4.33 -0.03 -0.82 -4.23 -1.26 -2.41 115.64 107.44 2wb1 s THR 1060Ca 0.37 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2wb1 s THR 1060Cb 0.08 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.55 2wb1 s THR 1060CO 0.13 -0.32 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.21 2wb1 s ILE 1061N -2.16 0.46 -0.39 2.99 1.09 -0.97 -4.93 121.20 117.30 2wb1 s ILE 1061Ca 0.34 -0.14 -0.15 0.00 -1.10 0.00 0.00 60.65 59.61 2wb1 s ILE 1061Cb -0.08 -0.46 0.01 0.00 -1.06 0.00 0.00 42.46 40.87 2wb1 s ILE 1061CO 0.25 0.18 0.32 -0.31 -0.10 0.00 0.00 174.94 175.29 2wb1 s TYR 1062N 0.57 3.22 -0.19 3.97 1.51 -1.26 -1.43 117.35 123.75 2wb1 s TYR 1062Ca -0.07 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 2wb1 s TYR 1062Cb -0.10 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.06 2wb1 s TYR 1062CO -0.00 -0.54 0.18 0.08 -1.11 0.00 0.00 175.55 174.16 2wb1 s VAL 1063N 1.83 5.38 0.12 0.71 1.01 -0.74 -3.89 120.40 124.81 2wb1 s VAL 1063Ca 0.08 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 2wb1 s VAL 1063Cb -0.18 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 2wb1 s VAL 1063CO 0.11 0.43 1.15 0.00 0.00 0.00 0.00 175.10 176.80 2wb1 h ASP 1065N 5.99 0.70 0.58 0.00 -0.00 -1.71 -1.96 116.42 120.02 2wb1 h ASP 1065Ca -0.43 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.03 56.37 2wb1 h ASP 1065Cb 1.21 -0.18 0.01 0.00 -0.00 0.00 0.00 39.33 40.37 2wb1 h ASP 1065CO 0.77 0.72 -0.28 1.56 -0.00 0.00 0.00 179.24 182.01 2wb1 h GLN 1066N 0.64 -0.75 0.00 0.28 4.20 -1.92 -3.41 115.11 114.16 2wb1 h GLN 1066Ca 0.16 0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.61 2wb1 h GLN 1066Cb 0.27 0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 2wb1 h GLN 1066CO -0.01 -0.44 -2.15 0.00 -0.67 0.00 0.00 178.83 175.57 2wb1 n GLY 1068N 2.18 1.62 3.57 0.00 0.00 -0.73 -4.58 105.19 107.24 2wb1 n GLY 1068Ca -0.30 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2wb1 n GLY 1068CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wb1 n TYR 1069N 0.00 0.91 0.00 1.61 0.18 -1.26 -1.02 117.16 117.58 2wb1 n TYR 1069Ca 0.00 0.65 0.00 0.00 1.88 0.00 0.00 57.90 60.43 2wb1 n TYR 1069Cb 0.00 -2.19 0.00 0.00 -0.38 0.00 0.00 39.34 36.77 2wb1 n TYR 1069CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 2wb1 n ILE 1070N -0.18 0.00 -2.17 -3.48 0.00 -1.26 -4.50 119.36 107.78 2wb1 n ILE 1070Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 62.75 62.43 2wb1 n ILE 1070Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 39.96 2wb1 n ILE 1070CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2wb1 s GLY 1071N 0.00 1.87 0.00 4.50 0.00 -1.25 -4.29 107.32 108.15 2wb1 s GLY 1071Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2wb1 s GLY 1071CO 0.00 2.48 0.00 0.79 0.00 0.00 0.00 173.10 176.37 2wb1 n TRP 1072N 4.80 0.00 -0.92 1.90 7.02 -1.26 -4.46 117.44 124.51 2wb1 n TRP 1072Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 2wb1 n TRP 1072Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 2wb1 n TRP 1072CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2wb1 n TYR 1073N 0.00 -1.84 -3.34 -5.99 4.01 -1.26 -4.10 117.16 104.63 2wb1 n TYR 1073Ca 0.00 1.05 -0.03 0.00 -0.16 0.00 0.00 57.90 58.76 2wb1 n TYR 1073Cb 0.00 -2.51 0.01 0.00 -0.31 0.00 0.00 39.34 36.53 2wb1 n TYR 1073CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2wb1 n ASP 1074N 0.37 -0.75 0.00 7.72 10.43 -1.24 -4.12 116.55 128.95 2wb1 n ASP 1074Ca 0.00 -1.50 0.00 0.00 2.57 0.00 0.00 54.79 55.86 2wb1 n ASP 1074Cb 0.00 1.25 0.00 0.00 1.84 0.00 0.00 41.12 44.21 2wb1 n ASP 1074CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2wb1 n LYS 1075N -0.20 0.04 -4.04 -1.24 2.85 -1.26 -4.70 118.16 109.61 2wb1 n LYS 1075Ca -0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 2wb1 n LYS 1075Cb 0.20 -0.59 -0.07 0.00 -0.65 0.00 0.00 35.03 33.93 2wb1 n LYS 1075CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2wb1 s ASN 1076N -3.07 5.96 -0.90 -5.58 -0.87 -1.26 -4.25 114.94 104.97 2wb1 s ASN 1076Ca 0.00 0.28 -0.07 0.00 -1.57 0.00 0.00 52.86 51.50 2wb1 s ASN 1076Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 41.25 39.42 2wb1 s ASN 1076CO 0.00 0.33 0.69 1.17 -2.57 0.00 0.00 177.10 176.71 2wb1 n LYS 1077N 1.51 -1.33 0.02 -0.60 4.81 -1.26 -4.83 118.16 116.47 2wb1 n LYS 1077Ca -0.15 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2wb1 n LYS 1077Cb 0.53 -3.78 0.00 0.00 0.02 0.00 0.00 35.03 31.80 2wb1 n LYS 1077CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2wb1 n ASN 1078N -2.37 0.10 0.00 3.14 5.15 -1.26 -5.05 115.26 114.97 2wb1 n ASN 1078Ca -0.16 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2wb1 n ASN 1078Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 2wb1 n ASN 1078CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2wb1 n LYS 1079N -2.69 0.00 -4.34 1.20 2.85 -1.26 -4.62 118.16 109.29 2wb1 n LYS 1079Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2wb1 n LYS 1079Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 2wb1 n LYS 1079CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wb1 s TYR 1080N 3.06 3.08 0.07 5.58 2.02 -1.26 -3.64 117.35 126.26 2wb1 s TYR 1080Ca 0.00 -0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 2wb1 s TYR 1080Cb 0.00 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2wb1 s TYR 1080CO 0.00 0.11 0.25 0.54 -1.57 0.00 0.00 175.55 174.88 2wb1 s VAL 1081N 0.07 0.11 0.47 0.71 0.11 -1.26 -4.86 120.40 115.75 2wb1 s VAL 1081Ca 0.01 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2wb1 s VAL 1081Cb -0.13 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 2wb1 s VAL 1081CO 0.02 -0.50 0.01 0.00 -3.33 0.00 0.00 175.10 171.31 2wb1 n PRO 1083N -1.14 0.46 -0.05 0.00 -0.02 -1.26 -0.46 135.00 132.54 2wb1 n PRO 1083Ca -0.14 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.43 2wb1 n PRO 1083Cb 0.67 -1.42 0.10 0.00 -0.02 0.00 0.00 33.50 32.83 2wb1 n PRO 1083CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wb1 n ILE 1084N -0.92 0.17 -4.75 4.25 2.08 -1.26 -5.10 119.36 113.84 2wb1 n ILE 1084Ca 0.09 -0.59 0.00 0.00 0.56 0.00 0.00 62.75 62.82 2wb1 n ILE 1084Cb 0.04 1.21 0.00 0.00 -0.75 0.00 0.00 39.64 40.14 2wb1 n ILE 1084CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2wb1 n HIS 1085N 0.98 -0.90 -1.24 1.39 8.25 0.40 -5.01 115.22 119.08 2wb1 n HIS 1085Ca 0.11 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.74 2wb1 n HIS 1085Cb 0.44 0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 2wb1 n HIS 1085CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wb1 n GLY 1086N 0.00 -2.18 0.03 -1.41 0.00 -1.26 -4.29 105.19 96.09 2wb1 n GLY 1086Ca 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.97 2wb1 n GLY 1086CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 1087N -3.92 0.26 -4.67 1.61 8.00 -1.26 -4.76 116.55 111.80 2wb1 n ASP 1087Ca -0.01 0.53 -0.44 0.00 0.71 0.00 0.00 54.79 55.58 2wb1 n ASP 1087Cb 0.57 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2wb1 n ASP 1087CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wb1 n LYS 1088N -1.75 1.95 -4.16 -1.24 5.02 -1.26 -3.28 118.16 113.44 2wb1 n LYS 1088Ca 0.06 0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 56.70 2wb1 n LYS 1088Cb 0.35 -2.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 2wb1 n LYS 1088CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wb1 n SER 1089N 1.23 -0.75 -3.55 4.39 3.41 -1.26 -4.70 113.62 112.39 2wb1 n SER 1089Ca 0.08 -1.22 -0.37 0.00 -0.26 0.00 0.00 58.87 57.09 2wb1 n SER 1089Cb 0.34 -1.98 -0.02 0.00 -0.26 0.00 0.00 64.21 62.30 2wb1 n SER 1089CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wb1 n ASN 1090N -2.73 -1.53 -4.32 4.04 3.02 -1.21 -2.54 115.26 110.00 2wb1 n ASN 1090Ca -0.26 0.82 -0.28 0.00 -0.03 0.00 0.00 54.58 54.82 2wb1 n ASN 1090Cb 0.66 -0.75 0.26 0.00 -0.61 0.00 0.00 39.78 39.34 2wb1 n ASN 1090CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wb1 s LEU 1091N 2.87 0.40 -0.06 3.41 1.43 -1.26 -4.46 118.68 121.01 2wb1 s LEU 1091Ca 0.51 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.96 2wb1 s LEU 1091Cb -0.66 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.41 2wb1 s LEU 1091CO 0.48 -4.47 0.01 -0.36 0.23 0.00 0.00 176.35 172.24 2wb1 s PHE 1092N -2.43 0.57 0.25 0.29 2.99 -0.18 -4.84 117.98 114.63 2wb1 s PHE 1092Ca 0.69 -0.10 -0.31 0.00 0.00 0.00 0.00 56.93 57.21 2wb1 s PHE 1092Cb -0.23 -0.73 -0.11 0.00 0.00 0.00 0.00 43.02 41.94 2wb1 s PHE 1092CO 0.64 -0.29 1.60 -2.14 -0.00 0.00 0.00 175.22 175.02 2wb1 s PRO 1093N 1.92 4.15 -0.15 0.24 0.02 -1.26 -1.80 135.00 138.12 2wb1 s PRO 1093Ca 0.04 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 2wb1 s PRO 1093Cb -0.12 -3.06 0.06 0.00 0.02 0.00 0.00 34.50 31.40 2wb1 s PRO 1093CO -0.05 -0.63 0.11 0.08 -0.33 0.00 0.00 177.00 176.18 2wb1 s VAL 1094N 0.41 -0.14 -0.46 3.83 1.01 -0.51 -4.94 120.40 119.60 2wb1 s VAL 1094Ca 0.66 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2wb1 s VAL 1094Cb -0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wb1 s VAL 1094CO 0.42 -0.18 1.68 -0.89 0.00 0.00 0.00 175.10 176.13 2wb1 s THR 1095N 2.18 3.58 0.01 3.92 2.01 -1.26 -2.29 115.64 123.79 2wb1 s THR 1095Ca 0.03 0.52 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 2wb1 s THR 1095Cb -0.15 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2wb1 s THR 1095CO -0.08 -0.74 0.12 -0.69 -0.69 0.00 0.00 174.62 172.54 2wb1 s VAL 1096N 7.07 0.09 0.30 3.82 1.01 -1.01 -5.03 120.40 126.65 2wb1 s VAL 1096Ca 0.68 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 2wb1 s VAL 1096Cb -0.16 -0.51 -0.11 0.00 0.00 0.00 0.00 36.38 35.60 2wb1 s VAL 1096CO 0.28 -0.43 1.57 -0.94 0.00 0.00 0.00 175.10 175.58 2wb1 s SER 1097N -1.53 6.39 0.60 3.32 1.04 -1.26 -3.54 113.70 118.72 2wb1 s SER 1097Ca -0.13 2.94 0.33 0.00 0.48 0.00 0.00 55.95 59.57 2wb1 s SER 1097Cb -0.07 -2.64 1.93 0.00 0.10 0.00 0.00 66.02 65.35 2wb1 s SER 1097CO 0.00 -0.89 2.26 0.22 0.98 0.00 0.00 173.24 175.82 2wb1 h TYR 1098N 4.61 0.00 0.00 5.02 3.20 -1.65 -0.03 116.97 128.12 2wb1 h TYR 1098Ca -0.47 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 2wb1 h TYR 1098Cb 1.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2wb1 h TYR 1098CO 0.58 0.02 -0.27 0.00 -1.64 0.00 0.00 178.16 176.84 2wb1 h ALA 1099N 1.98 1.49 0.02 1.82 0.00 -1.86 0.16 119.26 122.87 2wb1 h ALA 1099Ca -0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 2wb1 h ALA 1099Cb 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wb1 h ALA 1099CO 0.00 0.34 -1.03 0.35 0.00 0.00 0.00 179.25 178.91 2wb1 h PHE 1100N 0.00 0.82 -0.66 0.00 3.57 -1.38 -0.59 116.94 118.70 2wb1 h PHE 1100Ca -0.00 -0.46 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 2wb1 h PHE 1100Cb 0.50 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2wb1 h PHE 1100CO 0.00 1.30 0.40 -0.22 -2.23 0.00 0.00 178.31 177.56 2wb1 h LYS 1101N 0.29 0.89 0.40 1.11 3.64 -1.15 0.14 116.57 121.89 2wb1 h LYS 1101Ca -0.11 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2wb1 h LYS 1101Cb 1.69 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2wb1 h LYS 1101CO 0.19 0.62 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.73 2wb1 h LEU 1102N 0.91 -0.46 -0.60 5.20 3.38 -0.97 -2.63 115.31 120.15 2wb1 h LEU 1102Ca 0.24 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2wb1 h LEU 1102Cb -0.05 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 2wb1 h LEU 1102CO -0.05 -0.13 -0.08 0.25 0.09 0.00 0.00 178.44 178.52 2wb1 h LEU 1103N -0.80 -0.42 -0.67 1.67 5.85 -0.51 0.93 115.31 121.36 2wb1 h LEU 1103Ca -0.06 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2wb1 h LEU 1103Cb 0.54 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2wb1 h LEU 1103CO 0.09 -0.16 -0.01 0.40 -0.34 0.00 0.00 178.44 178.42 2wb1 h ILE 1104N 0.05 1.26 0.01 4.05 2.04 -0.82 -1.13 117.51 122.98 2wb1 h ILE 1104Ca 0.30 -1.14 -0.19 0.00 1.00 0.00 0.00 64.86 64.82 2wb1 h ILE 1104Cb 0.47 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2wb1 h ILE 1104CO -0.56 0.41 -0.89 1.56 0.00 0.00 0.00 178.15 178.66 2wb1 h GLN 1105N 0.93 0.09 0.17 2.37 4.20 -0.97 -2.46 115.11 119.45 2wb1 h GLN 1105Ca 0.17 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2wb1 h GLN 1105Cb 0.55 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2wb1 h GLN 1105CO 0.03 0.92 -0.08 0.93 -0.67 0.00 0.00 178.83 179.96 2wb1 h GLU 1106N 0.04 -0.22 -0.91 1.46 5.08 -0.79 -2.48 114.58 116.76 2wb1 h GLU 1106Ca -0.03 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2wb1 h GLU 1106Cb 1.55 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.69 2wb1 h GLU 1106CO 0.13 0.00 0.15 -0.07 -1.00 0.00 0.00 179.01 178.22 2wb1 h LEU 1107N -0.42 -0.19 -0.56 1.33 3.38 -1.17 -1.21 115.31 116.46 2wb1 h LEU 1107Ca -0.02 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2wb1 h LEU 1107Cb 0.33 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2wb1 h LEU 1107CO 0.04 -0.25 0.11 0.24 0.09 0.00 0.00 178.44 178.68 2wb1 h MET 1108N 0.11 0.92 0.00 1.13 2.86 -1.30 -0.56 114.93 118.09 2wb1 h MET 1108Ca 0.57 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2wb1 h MET 1108Cb 1.18 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2wb1 h MET 1108CO -0.76 0.87 -0.17 0.66 1.06 0.00 0.00 176.91 178.58 2wb1 h SER 1109N 0.82 0.00 0.04 1.22 4.64 -0.78 0.42 113.55 119.91 2wb1 h SER 1109Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wb1 h SER 1109Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wb1 h SER 1109CO 0.01 0.17 -0.01 0.80 -0.87 0.00 0.00 176.83 176.92 2wb1 n MET 1110N -3.68 1.22 -2.41 4.77 0.00 -0.80 -4.92 117.12 111.31 2wb1 n MET 1110Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 57.70 57.26 2wb1 n MET 1110Cb 0.29 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.02 2wb1 n MET 1110CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2wb1 n ILE 1111N -0.54 -0.34 -5.01 1.12 -0.00 0.14 -5.08 119.36 109.65 2wb1 n ILE 1111Ca 0.21 -0.02 -0.31 0.00 -0.00 0.00 0.00 62.75 62.64 2wb1 n ILE 1111Cb 0.23 -2.09 -0.17 0.00 -0.00 0.00 0.00 39.64 37.61 2wb1 n ILE 1111CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2wb1 s ILE 1112N -3.03 1.87 -0.40 1.39 1.01 -0.26 -4.99 121.20 116.79 2wb1 s ILE 1112Ca 0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 2wb1 s ILE 1112Cb -0.01 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.84 2wb1 s ILE 1112CO 0.06 0.52 0.56 -0.94 0.00 0.00 0.00 174.94 175.14 2wb1 s SER 1113N 0.48 6.31 -0.76 3.58 1.04 -1.26 -3.27 113.70 119.82 2wb1 s SER 1113Ca -0.16 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 2wb1 s SER 1113Cb -0.17 -2.29 0.20 0.00 0.10 0.00 0.00 66.02 63.86 2wb1 s SER 1113CO 0.06 -0.62 0.68 -2.16 0.98 0.00 0.00 173.24 172.18 2wb1 s PRO 1114N 2.54 3.34 -0.64 4.02 0.04 -1.26 -5.04 135.00 138.00 2wb1 s PRO 1114Ca 0.20 -2.40 -0.24 0.00 0.04 0.00 0.00 61.00 58.60 2wb1 s PRO 1114Cb -0.15 -4.28 0.06 0.00 0.04 0.00 0.00 34.50 30.16 2wb1 s PRO 1114CO 0.16 -1.27 1.00 1.03 0.04 0.00 0.00 177.00 177.96 2wb1 s ARG 1115N 0.27 3.18 0.26 4.56 1.81 -1.26 -4.27 118.95 123.50 2wb1 s ARG 1115Ca 0.16 -0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 53.28 2wb1 s ARG 1115Cb -0.14 -4.17 -0.09 0.00 -0.45 0.00 0.00 34.95 30.10 2wb1 s ARG 1115CO -0.07 -1.77 1.13 -0.51 -0.68 0.00 0.00 175.30 173.40 2wb1 s LEU 1116N 4.26 4.52 -0.18 2.53 1.02 -1.26 -4.95 118.68 124.62 2wb1 s LEU 1116Ca 0.26 2.28 -0.10 0.00 0.02 0.00 0.00 54.13 56.59 2wb1 s LEU 1116Cb -0.14 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 2wb1 s LEU 1116CO 0.13 -0.21 0.17 -0.63 0.02 0.00 0.00 176.35 175.83 2wb1 s ILE 1117N -0.91 5.40 0.51 -0.59 -1.09 -1.26 -4.45 121.20 118.80 2wb1 s ILE 1117Ca 0.46 0.27 -0.22 0.00 -2.23 0.00 0.00 60.65 58.94 2wb1 s ILE 1117Cb -0.32 -3.50 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 2wb1 s ILE 1117CO 0.41 0.46 1.03 0.00 -1.23 0.00 0.00 174.94 175.61 2wb1 n LEU 1118N 3.29 3.37 -3.57 2.97 -0.00 -1.26 -5.06 117.00 116.74 2wb1 n LEU 1118Ca -0.16 0.94 -0.13 0.00 -0.00 0.00 0.00 56.01 56.66 2wb1 n LEU 1118Cb 0.52 -1.40 -0.05 0.00 -0.00 0.00 0.00 43.42 42.50 2wb1 n LEU 1118CO 0.37 -1.52 0.27 -0.70 -0.00 0.00 0.00 177.39 175.81 2wb1 s GLU 1119N -2.40 1.06 1.01 1.47 2.12 -1.26 -5.17 118.70 115.52 2wb1 s GLU 1119Ca 0.69 -0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 2wb1 s GLU 1119Cb -0.48 0.48 0.14 0.00 0.26 0.00 0.00 34.13 34.53 2wb1 s GLU 1119CO 0.52 -0.40 0.72 -0.25 -0.54 0.00 0.00 175.26 175.32 2wb1 n ASP 1120N 0.22 -1.22 -0.14 -1.70 10.43 -1.26 -4.92 116.55 117.96 2wb1 n ASP 1120Ca -0.18 0.20 -0.03 0.00 2.57 0.00 0.00 54.79 57.35 2wb1 n ASP 1120Cb 0.61 -1.28 0.05 0.00 1.84 0.00 0.00 41.12 42.35 2wb1 n ASP 1120CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2wb1 h ARG 1121N -1.98 0.20 0.00 -1.24 2.43 -2.03 -3.56 114.38 108.21 2wb1 h ARG 1121Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2wb1 h ARG 1121Cb 1.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2wb1 h ARG 1121CO 0.40 0.13 0.00 0.28 -1.51 0.00 0.00 179.97 179.27