#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b96 h LEU 3 N 0.00 -0.15 -0.59 1.04 5.85 -1.99 -1.91 115.31 117.56 1b96 h LEU 3 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1b96 h LEU 3 Cb 0.00 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1b96 h LEU 3 CO 0.00 -0.04 0.34 -0.09 -0.34 0.00 0.00 178.44 178.31 1b96 h ARG 4 N 0.10 0.63 -0.39 1.25 2.43 -1.99 0.49 114.38 116.90 1b96 h ARG 4 Ca 0.18 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1b96 h ARG 4 Cb 0.25 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1b96 h ARG 4 CO -0.30 0.42 -0.17 0.66 -1.51 0.00 0.00 179.97 179.07 1b96 h SER 5 N 0.65 0.82 -0.06 -3.80 4.64 -1.91 -1.93 113.55 111.96 1b96 h SER 5 Ca 0.25 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1b96 h SER 5 Cb 0.09 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1b96 h SER 5 CO -0.13 1.03 0.01 0.44 -0.87 0.00 0.00 176.83 177.31 1b96 h ASP 6 N 0.60 0.09 -0.12 4.97 5.19 -1.09 -1.73 116.42 124.34 1b96 h ASP 6 Ca 0.09 -0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1b96 h ASP 6 Cb 0.71 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 1b96 h ASP 6 CO 0.05 0.30 -0.07 0.25 -3.12 0.00 0.00 179.24 176.65 1b96 h LEU 7 N -0.12 -0.22 -0.76 1.55 5.85 -0.05 -1.40 115.31 120.16 1b96 h LEU 7 Ca 0.02 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1b96 h LEU 7 Cb 0.24 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1b96 h LEU 7 CO 0.00 -0.09 0.07 -0.29 -0.34 0.00 0.00 178.44 177.79 1b96 h ILE 8 N -0.06 1.26 -0.66 4.05 6.09 -1.32 -0.91 117.51 125.96 1b96 h ILE 8 Ca 0.07 -1.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.53 1b96 h ILE 8 Cb 0.17 0.71 -0.03 0.00 0.47 0.00 0.00 36.82 38.13 1b96 h ILE 8 CO -0.16 0.38 0.41 0.78 -3.07 0.00 0.00 178.15 176.49 1b96 h ASN 9 N 0.95 0.77 -0.56 2.19 2.35 -1.06 0.90 115.58 121.13 1b96 h ASN 9 Ca 0.19 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1b96 h ASN 9 Cb 0.45 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1b96 h ASN 9 CO 0.02 0.59 -0.04 0.00 -1.65 0.00 0.00 177.43 176.34 1b96 h ALA 10 N 1.22 0.84 0.32 -0.83 0.00 -1.05 0.51 119.26 120.26 1b96 h ALA 10 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1b96 h ALA 10 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1b96 h ALA 10 CO -0.05 0.67 -0.15 -0.07 0.00 0.00 0.00 179.25 179.65 1b96 h LEU 11 N 0.93 -0.36 -0.86 0.00 3.38 -0.86 0.23 115.31 117.77 1b96 h LEU 11 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1b96 h LEU 11 Cb 0.60 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1b96 h LEU 11 CO 0.04 -0.20 0.50 0.22 0.09 0.00 0.00 178.44 179.09 1b96 h TYR 12 N -0.49 1.15 0.05 1.13 5.03 -0.67 -0.27 116.97 122.89 1b96 h TYR 12 Ca -0.04 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 1b96 h TYR 12 Cb 0.37 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1b96 h TYR 12 CO -0.04 0.78 -0.02 0.22 -1.32 0.00 0.00 178.16 177.78 1b96 h ASP 13 N 1.19 -0.06 -0.81 -2.11 3.58 0.21 -2.75 116.42 115.67 1b96 h ASP 13 Ca 0.31 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.51 1b96 h ASP 13 Cb -0.02 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1b96 h ASP 13 CO -0.06 0.23 0.54 -0.08 -2.88 0.00 0.00 179.24 176.99 1b96 h GLU 14 N -0.34 1.05 0.02 0.28 4.57 -0.33 -2.44 114.58 117.40 1b96 h GLU 14 Ca -0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1b96 h GLU 14 Cb 0.31 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1b96 h GLU 14 CO 0.01 0.70 -0.01 -0.97 -1.18 0.00 0.00 179.01 177.56 1b96 h ASN 15 N 1.08 -0.03 0.46 1.04 -1.24 -1.02 -2.32 115.58 113.56 1b96 h ASN 15 Ca 0.30 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 1b96 h ASN 15 Cb -0.10 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 1b96 h ASN 15 CO -0.07 -0.02 -0.07 1.56 -1.29 0.00 0.00 177.43 177.54 1b96 h GLN 16 N -0.03 0.00 0.00 6.67 4.20 -1.25 -3.30 115.11 121.40 1b96 h GLN 16 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1b96 h GLN 16 Cb 0.03 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1b96 h GLN 16 CO 0.01 0.07 -2.28 1.63 -0.67 0.00 0.00 178.83 177.59 1b96 n LYS 17 N -3.40 0.68 -4.29 1.46 4.01 -0.94 -5.01 118.16 110.67 1b96 n LYS 17 Ca -0.01 -0.03 -0.24 0.00 -0.51 0.00 0.00 58.31 57.52 1b96 n LYS 17 Cb 0.23 -1.53 -0.12 0.00 -0.51 0.00 0.00 35.03 33.09 1b96 n LYS 17 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1b96 s TYR 18 N -2.68 1.80 -0.20 2.13 2.02 -0.90 -5.10 117.35 114.42 1b96 s TYR 18 Ca -0.09 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1b96 s TYR 18 Cb 0.08 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 1b96 s TYR 18 CO 0.84 0.22 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.51 1b96 s ASP 19 N -1.96 3.18 0.31 2.29 1.11 -1.26 -4.77 116.67 115.56 1b96 s ASP 19 Ca 0.07 -0.89 -0.30 0.00 0.18 0.00 0.00 52.55 51.62 1b96 s ASP 19 Cb -0.10 -0.86 -0.12 0.00 1.07 0.00 0.00 42.92 42.92 1b96 s ASP 19 CO 0.04 -0.25 1.58 0.52 1.18 0.00 0.00 175.17 178.24 1b96 n VAL 20 N 4.88 1.18 -0.81 -1.27 0.31 -1.26 -4.89 118.33 116.48 1b96 n VAL 20 Ca -0.11 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1b96 n VAL 20 Cb 0.46 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1b96 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b96 n GLY 22 N -0.05 0.73 3.91 0.00 0.00 -1.26 -4.12 105.19 104.39 1b96 n GLY 22 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 1b96 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b96 s ILE 23 N -2.00 5.42 0.08 -0.61 -4.36 0.33 -4.92 121.20 115.14 1b96 s ILE 23 Ca 0.00 -0.24 0.09 0.00 -0.26 0.00 0.00 60.65 60.24 1b96 s ILE 23 Cb 0.00 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.10 1b96 s ILE 23 CO 0.00 0.26 -0.23 -0.51 0.24 0.00 0.00 174.94 174.70 1b96 s ILE 24 N -1.39 1.86 0.49 8.37 2.07 -1.26 -1.05 121.20 130.29 1b96 s ILE 24 Ca 0.30 -1.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.12 1b96 s ILE 24 Cb -0.13 -1.65 0.02 0.00 0.13 0.00 0.00 42.46 40.84 1b96 s ILE 24 CO 0.22 0.11 0.68 -0.94 -1.91 0.00 0.00 174.94 173.10 1b96 s SER 25 N -1.61 5.48 0.37 4.50 1.04 -0.59 -4.98 113.70 117.91 1b96 s SER 25 Ca 0.09 -0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.48 1b96 s SER 25 Cb -0.10 -0.86 0.74 0.00 0.10 0.00 0.00 66.02 65.91 1b96 s SER 25 CO 0.03 -0.94 1.86 0.00 0.98 0.00 0.00 173.24 175.17 1b96 h ALA 26 N 0.33 1.43 0.00 5.32 0.00 -2.01 -0.87 119.26 123.47 1b96 h ALA 26 Ca -0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1b96 h ALA 26 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b96 h ALA 26 CO 0.50 0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.55 1b96 n GLU 27 N -4.18 0.06 -0.23 0.00 4.71 -1.26 -4.92 120.64 114.82 1b96 n GLU 27 Ca -0.01 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 1b96 n GLU 27 Cb 0.34 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1b96 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b96 n GLY 28 N 0.54 0.79 3.72 0.62 0.00 -0.33 -5.07 105.19 105.46 1b96 n GLY 28 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1b96 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b96 s LYS 29 N -0.77 4.47 -0.19 1.61 2.20 -1.26 -4.20 119.74 121.60 1b96 s LYS 29 Ca 0.00 1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 56.57 1b96 s LYS 29 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1b96 s LYS 29 CO 0.00 0.04 0.00 0.42 -0.36 0.00 0.00 175.35 175.46 1b96 s ILE 30 N 0.83 4.11 -0.25 5.43 1.01 -0.36 -1.54 121.20 130.43 1b96 s ILE 30 Ca 0.41 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1b96 s ILE 30 Cb -0.19 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1b96 s ILE 30 CO 0.21 0.45 0.07 -0.31 0.00 0.00 0.00 174.94 175.35 1b96 s TYR 31 N 0.74 3.09 1.16 3.97 1.51 -0.21 -0.14 117.35 127.47 1b96 s TYR 31 Ca 0.00 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1b96 s TYR 31 Cb -0.14 -2.23 0.28 0.00 -0.11 0.00 0.00 41.96 39.76 1b96 s TYR 31 CO 0.02 -0.34 1.03 -2.14 -1.11 0.00 0.00 175.55 173.02 1b96 s PRO 32 N 1.57 -0.88 -0.09 -1.71 0.02 -1.26 -0.51 135.00 132.14 1b96 s PRO 32 Ca 0.06 0.81 -0.13 0.00 0.02 0.00 0.00 61.00 61.76 1b96 s PRO 32 Cb -0.15 -1.56 -0.05 0.00 0.02 0.00 0.00 34.50 32.76 1b96 s PRO 32 CO 0.04 -3.69 0.32 -0.51 -0.33 0.00 0.00 177.00 172.83 1b96 s LEU 33 N -7.18 4.36 0.76 -5.54 1.43 -1.26 -4.71 118.68 106.54 1b96 s LEU 33 Ca 0.68 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1b96 s LEU 33 Cb -0.25 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1b96 s LEU 33 CO 0.64 0.24 1.08 -0.83 0.23 0.00 0.00 176.35 177.71 1b96 s GLY 34 N -0.40 1.64 0.08 -3.19 0.00 -1.26 -4.53 107.32 99.66 1b96 s GLY 34 Ca 0.19 -0.08 0.24 0.00 0.00 0.00 0.00 44.72 45.07 1b96 s GLY 34 CO 0.08 0.30 1.30 -1.14 0.00 0.00 0.00 173.10 173.63 1b96 n SER 35 N -3.32 0.63 -4.78 1.64 3.41 -1.26 -4.75 113.62 105.19 1b96 n SER 35 Ca 0.07 -0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 1b96 n SER 35 Cb 0.55 0.29 0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1b96 n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1b96 s ASP 36 N -3.86 5.41 0.56 4.04 -4.77 -1.26 -4.89 116.67 111.90 1b96 s ASP 36 Ca 0.07 2.00 0.30 0.00 -3.30 0.00 0.00 52.55 51.61 1b96 s ASP 36 Cb 0.15 -2.55 1.64 0.00 -1.09 0.00 0.00 42.92 41.06 1b96 s ASP 36 CO 0.73 -1.42 2.15 0.74 0.70 0.00 0.00 175.17 178.06 1b96 h THR 37 N 0.40 0.48 0.00 2.11 2.02 -1.98 -0.06 112.91 115.88 1b96 h THR 37 Ca -0.48 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1b96 h THR 37 Cb 1.24 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1b96 h THR 37 CO 0.55 0.07 -0.06 0.50 0.37 0.00 0.00 175.52 176.95 1b96 h LYS 38 N 0.00 0.00 0.00 6.66 3.64 -1.98 0.73 116.57 125.62 1b96 h LYS 38 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b96 h LYS 38 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1b96 h LYS 38 CO 0.01 0.06 -0.00 0.28 -2.27 0.00 0.00 179.45 177.53 1b96 h VAL 39 N 0.00 1.77 -0.17 2.00 2.07 -1.34 -3.11 116.25 117.46 1b96 h VAL 39 Ca -0.00 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 1b96 h VAL 39 Cb 0.13 3.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1b96 h VAL 39 CO 0.01 0.58 -0.26 -0.07 0.02 0.00 0.00 177.57 177.85 1b96 h LEU 40 N -0.96 0.32 -0.55 2.57 3.38 -1.18 -0.53 115.31 118.35 1b96 h LEU 40 Ca -0.00 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1b96 h LEU 40 Cb 0.96 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1b96 h LEU 40 CO 0.00 0.58 -0.34 0.77 0.09 0.00 0.00 178.44 179.55 1b96 h SER 41 N 0.28 0.84 -0.37 -0.43 4.64 0.33 0.22 113.55 119.05 1b96 h SER 41 Ca 0.04 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1b96 h SER 41 Cb 0.62 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1b96 h SER 41 CO 0.04 1.10 0.23 0.74 -0.87 0.00 0.00 176.83 178.08 1b96 h THR 42 N 0.67 1.12 -0.20 2.95 2.02 -1.36 -1.19 112.91 116.91 1b96 h THR 42 Ca 0.07 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1b96 h THR 42 Cb 0.88 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1b96 h THR 42 CO 0.08 0.11 0.07 0.40 0.37 0.00 0.00 175.52 176.56 1b96 h ILE 43 N 0.50 1.17 -0.31 3.11 5.03 -0.68 -1.67 117.51 124.66 1b96 h ILE 43 Ca 0.14 -0.53 -0.09 0.00 -0.12 0.00 0.00 64.86 64.26 1b96 h ILE 43 Cb -0.02 1.16 -0.02 0.00 -3.03 0.00 0.00 36.82 34.92 1b96 h ILE 43 CO -0.03 0.17 -0.17 -0.26 -0.68 0.00 0.00 178.15 177.18 1b96 h PHE 44 N 0.16 0.61 0.12 1.37 0.04 -0.83 0.17 116.94 118.57 1b96 h PHE 44 Ca 0.06 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1b96 h PHE 44 Cb 0.20 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 1b96 h PHE 44 CO -0.01 0.69 -0.35 0.93 -0.60 0.00 0.00 178.31 178.98 1b96 h GLU 45 N 0.50 -0.56 -0.12 1.51 4.39 -1.13 -1.69 114.58 117.48 1b96 h GLU 45 Ca 0.08 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 1b96 h GLU 45 Cb 0.58 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1b96 h GLU 45 CO 0.04 -0.37 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.17 1b96 h LEU 46 N -0.58 0.21 -0.99 1.33 3.38 -0.69 -2.51 115.31 115.46 1b96 h LEU 46 Ca 0.03 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1b96 h LEU 46 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1b96 h LEU 46 CO -0.21 0.49 -0.49 0.15 0.09 0.00 0.00 178.44 178.47 1b96 h PHE 47 N 0.19 0.00 0.00 1.13 3.57 -0.44 -3.25 116.94 118.14 1b96 h PHE 47 Ca 0.03 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 1b96 h PHE 47 Cb 0.59 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1b96 h PHE 47 CO 0.01 0.49 -1.13 0.77 -2.23 0.00 0.00 178.31 176.22 1b96 h SER 48 N 0.00 0.00 -0.51 0.41 0.02 -0.89 -3.40 113.55 109.18 1b96 h SER 48 Ca -0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1b96 h SER 48 Cb 0.89 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.35 1b96 h SER 48 CO 0.06 0.92 -0.55 0.03 -1.14 0.00 0.00 176.83 176.15 1b96 h ARG 49 N 0.00 -0.30 0.00 3.45 3.08 -1.51 -0.26 114.38 118.83 1b96 h ARG 49 Ca -0.08 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1b96 h ARG 49 Cb 1.77 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 1b96 h ARG 49 CO 0.11 -0.20 -0.29 -1.00 -1.07 0.00 0.00 179.97 177.51 1b96 h PRO 50 N -0.32 0.00 0.02 0.04 0.13 -1.78 -1.10 132.00 129.00 1b96 h PRO 50 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1b96 h PRO 50 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1b96 h PRO 50 CO -0.64 0.29 -0.01 0.82 -0.23 0.00 0.00 178.00 178.23 1b96 h ILE 51 N 0.00 1.34 -0.34 -3.56 2.04 -1.55 -2.10 117.51 113.33 1b96 h ILE 51 Ca -0.00 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 64.78 1b96 h ILE 51 Cb 0.54 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 1b96 h ILE 51 CO 0.04 0.29 0.02 0.40 0.00 0.00 0.00 178.15 178.89 1b96 h ILE 52 N -0.52 0.77 -0.63 -0.67 2.04 -0.94 -1.80 117.51 115.75 1b96 h ILE 52 Ca -0.00 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1b96 h ILE 52 Cb 0.50 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1b96 h ILE 52 CO 0.00 0.02 0.40 -1.13 0.00 0.00 0.00 178.15 177.44 1b96 h ASN 53 N 0.12 0.66 -0.30 1.72 -1.24 -1.23 -1.09 115.58 114.20 1b96 h ASN 53 Ca 0.16 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1b96 h ASN 53 Cb 0.22 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1b96 h ASN 53 CO -0.26 0.46 0.13 0.50 -1.29 0.00 0.00 177.43 176.97 1b96 h LYS 54 N 0.79 0.45 -0.40 6.67 3.64 -0.97 -2.31 116.57 124.43 1b96 h LYS 54 Ca 0.25 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 1b96 h LYS 54 Cb -0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1b96 h LYS 54 CO -0.09 0.44 -0.28 0.82 -2.27 0.00 0.00 179.45 178.07 1b96 h ILE 55 N 0.35 1.27 -0.80 2.00 1.08 -1.10 -2.63 117.51 117.68 1b96 h ILE 55 Ca 0.10 -1.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.11 1b96 h ILE 55 Cb 0.15 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 1b96 h ILE 55 CO -0.01 0.48 0.39 0.00 -0.69 0.00 0.00 178.15 178.32 1b96 h ALA 56 N 0.95 1.03 -0.21 1.87 0.00 -1.21 -2.95 119.26 118.74 1b96 h ALA 56 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1b96 h ALA 56 Cb 0.83 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1b96 h ALA 56 CO 0.07 0.59 0.13 1.49 0.00 0.00 0.00 179.25 181.54 1b96 h GLU 57 N 1.13 0.29 -0.02 0.00 4.81 -1.30 1.04 114.58 120.53 1b96 h GLU 57 Ca 0.27 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1b96 h GLU 57 Cb 0.12 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1b96 h GLU 57 CO -0.03 0.22 0.04 -0.22 -0.73 0.00 0.00 179.01 178.29 1b96 h LYS 58 N 0.27 0.00 -0.63 1.92 3.64 -1.31 0.60 116.57 121.06 1b96 h LYS 58 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1b96 h LYS 58 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1b96 h LYS 58 CO -0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.89 1b96 n HIS 59 N -3.56 1.16 -2.21 1.91 8.25 -1.02 -4.96 115.22 114.80 1b96 n HIS 59 Ca -0.02 -0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 56.71 1b96 n HIS 59 Cb 0.12 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1b96 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b96 n GLY 60 N 1.17 -0.09 3.77 -1.41 0.00 0.21 -5.00 105.19 103.84 1b96 n GLY 60 Ca 0.24 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1b96 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b96 s TYR 61 N -2.76 3.51 0.32 1.61 2.02 0.35 -4.63 117.35 117.77 1b96 s TYR 61 Ca 0.00 0.58 -0.27 0.00 -0.37 0.00 0.00 57.07 57.01 1b96 s TYR 61 Cb 0.00 -2.23 -0.09 0.00 -0.40 0.00 0.00 41.96 39.24 1b96 s TYR 61 CO 0.00 0.39 1.02 0.42 -1.57 0.00 0.00 175.55 175.81 1b96 s ILE 62 N -0.01 3.83 -0.16 2.71 1.01 0.14 -3.69 121.20 125.04 1b96 s ILE 62 Ca 0.15 1.63 -0.01 0.00 0.00 0.00 0.00 60.65 62.42 1b96 s ILE 62 Cb -0.13 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1b96 s ILE 62 CO 0.04 0.23 -0.11 -0.69 0.00 0.00 0.00 174.94 174.41 1b96 s VAL 63 N -1.42 3.08 -0.11 2.92 1.01 -1.26 -1.88 120.40 122.75 1b96 s VAL 63 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1b96 s VAL 63 Cb -0.25 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1b96 s VAL 63 CO 0.31 0.49 -0.21 -1.61 0.00 0.00 0.00 175.10 174.09 1b96 s GLU 64 N 0.80 2.74 0.18 2.72 2.02 -0.29 -4.98 118.70 121.88 1b96 s GLU 64 Ca -0.04 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.22 1b96 s GLU 64 Cb -0.15 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1b96 s GLU 64 CO 0.01 0.07 0.29 -1.21 0.02 0.00 0.00 175.26 174.44 1b96 s GLU 65 N 0.61 3.39 0.24 1.61 2.02 -1.26 -1.83 118.70 123.48 1b96 s GLU 65 Ca -0.13 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 1b96 s GLU 65 Cb -0.17 -2.91 -0.14 0.00 0.10 0.00 0.00 34.13 31.01 1b96 s GLU 65 CO 0.04 0.49 1.14 -2.30 0.02 0.00 0.00 175.26 174.65 1b96 n PRO 66 N -0.77 1.42 0.07 0.39 -0.02 -1.26 -4.89 135.00 129.93 1b96 n PRO 66 Ca -0.08 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1b96 n PRO 66 Cb 0.55 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1b96 n PRO 66 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b96 n LYS 67 N 1.29 0.47 -4.25 -0.52 4.01 -1.26 -4.88 118.16 113.03 1b96 n LYS 67 Ca 0.12 0.05 -0.19 0.00 -0.51 0.00 0.00 58.31 57.78 1b96 n LYS 67 Cb 0.29 -1.71 -0.13 0.00 -0.51 0.00 0.00 35.03 32.97 1b96 n LYS 67 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1b96 s GLN 68 N -3.30 0.86 0.97 1.97 -0.21 -1.26 -5.14 119.66 113.55 1b96 s GLN 68 Ca 0.01 -0.86 -0.12 0.00 0.02 0.00 0.00 55.36 54.40 1b96 s GLN 68 Cb 0.12 -0.87 0.17 0.00 1.00 0.00 0.00 33.01 33.43 1b96 s GLN 68 CO 0.79 0.20 1.10 -1.21 -2.12 0.00 0.00 175.29 174.06 1b96 s GLU 69 N -1.47 0.62 -0.89 2.91 2.02 -1.26 -3.82 118.70 116.81 1b96 s GLU 69 Ca -0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1b96 s GLU 69 Cb -0.09 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.38 1b96 s GLU 69 CO 0.02 -2.59 0.00 0.09 0.02 0.00 0.00 175.26 172.80 1b96 n ASN 70 N -4.07 -3.60 -3.80 -0.19 4.13 -1.26 -5.01 115.26 101.47 1b96 n ASN 70 Ca 0.06 0.09 -0.25 0.00 1.68 0.00 0.00 54.58 56.15 1b96 n ASN 70 Cb 0.58 -2.51 -0.17 0.00 -1.54 0.00 0.00 39.78 36.14 1b96 n ASN 70 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1b96 s HIS 71 N -2.43 0.98 0.51 3.10 3.76 -1.25 -4.62 115.29 115.34 1b96 s HIS 71 Ca 0.00 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 1b96 s HIS 71 Cb 0.00 -0.97 -0.08 0.00 1.11 0.00 0.00 32.58 32.64 1b96 s HIS 71 CO 0.00 -0.44 0.99 -0.47 -0.85 0.00 0.00 174.74 173.97 1b96 s TYR 72 N 1.87 3.39 0.54 1.40 6.14 0.22 -4.66 117.35 126.25 1b96 s TYR 72 Ca 0.04 1.49 0.09 0.00 0.64 0.00 0.00 57.07 59.33 1b96 s TYR 72 Cb -0.13 -2.82 0.06 0.00 0.42 0.00 0.00 41.96 39.49 1b96 s TYR 72 CO -0.07 -0.40 0.67 -1.25 0.64 0.00 0.00 175.55 175.15 1b96 s PRO 73 N -3.93 2.37 0.09 4.97 0.04 -1.26 -0.19 135.00 137.09 1b96 s PRO 73 Ca 0.60 -1.66 -0.24 0.00 0.04 0.00 0.00 61.00 59.74 1b96 s PRO 73 Cb -0.10 -2.54 -0.15 0.00 0.04 0.00 0.00 34.50 31.75 1b96 s PRO 73 CO 0.29 -0.72 1.73 -0.44 0.04 0.00 0.00 177.00 177.90 1b96 h ASP 74 N 0.38 -0.07 -3.23 6.66 3.32 -1.79 -3.39 116.42 118.31 1b96 h ASP 74 Ca -0.33 0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 1b96 h ASP 74 Cb 1.29 0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.51 1b96 h ASP 74 CO 0.45 -0.04 -0.82 -0.36 -1.72 0.00 0.00 179.24 176.75 1b96 s PHE 75 N -6.18 1.71 -0.29 4.55 0.08 0.41 -4.18 117.98 114.07 1b96 s PHE 75 Ca -0.13 -0.83 -0.08 0.00 0.12 0.00 0.00 56.93 56.00 1b96 s PHE 75 Cb 0.06 -1.31 -0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1b96 s PHE 75 CO 0.66 -0.50 0.10 0.99 -0.10 0.00 0.00 175.22 176.38 1b96 s THR 76 N 1.34 4.26 -0.05 0.64 2.01 -0.76 0.72 115.64 123.80 1b96 s THR 76 Ca -0.01 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1b96 s THR 76 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1b96 s THR 76 CO -0.05 0.13 0.06 -0.76 -0.69 0.00 0.00 174.62 173.31 1b96 s LEU 77 N 1.56 3.84 -0.13 4.42 1.02 0.23 -1.13 118.68 128.50 1b96 s LEU 77 Ca 0.04 0.19 -0.31 0.00 0.02 0.00 0.00 54.13 54.07 1b96 s LEU 77 Cb -0.17 -2.07 0.13 0.00 0.02 0.00 0.00 46.19 44.10 1b96 s LEU 77 CO 0.04 0.33 1.06 -0.72 0.02 0.00 0.00 176.35 177.08 1b96 s TYR 78 N -1.06 -0.26 -0.01 0.29 1.13 -0.79 0.23 117.35 116.89 1b96 s TYR 78 Ca 0.18 0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 56.09 1b96 s TYR 78 Cb -0.12 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1b96 s TYR 78 CO 0.08 -0.33 0.15 0.15 -2.51 0.00 0.00 175.55 173.08 1b96 s LYS 79 N -2.15 3.31 0.50 -3.49 1.02 -1.26 0.26 119.74 117.93 1b96 s LYS 79 Ca 0.05 -0.37 0.20 0.00 0.02 0.00 0.00 55.97 55.87 1b96 s LYS 79 Cb -0.01 -3.02 1.26 0.00 -0.52 0.00 0.00 37.83 35.55 1b96 s LYS 79 CO -0.05 0.67 2.07 -1.35 -0.92 0.00 0.00 175.35 175.78 1b96 h PRO 80 N 3.96 0.00 0.00 -1.68 0.11 -2.00 -0.96 132.00 131.43 1b96 h PRO 80 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b96 h PRO 80 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b96 h PRO 80 CO 0.66 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 1b96 h SER 81 N 0.00 0.00 -2.07 -2.05 4.64 -1.97 -3.37 113.55 108.73 1b96 h SER 81 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1b96 h SER 81 Cb 0.23 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.92 1b96 h SER 81 CO 0.01 0.00 -0.97 -0.62 -0.87 0.00 0.00 176.83 174.39 1b96 n GLU 82 N -2.76 1.17 0.10 4.77 1.02 -0.37 -4.96 120.64 119.61 1b96 n GLU 82 Ca 0.03 -3.60 0.03 0.00 -0.02 0.00 0.00 57.16 53.59 1b96 n GLU 82 Cb 0.38 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.70 1b96 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1b96 h PRO 83 N 4.11 0.29 -0.55 3.49 0.13 -1.73 -1.75 132.00 135.99 1b96 h PRO 83 Ca 0.11 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1b96 h PRO 83 Cb 0.82 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1b96 h PRO 83 CO 0.56 0.37 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 1b96 n ASN 84 N -4.32 3.00 -2.55 1.44 3.02 -1.26 -4.11 115.26 110.48 1b96 n ASN 84 Ca -0.00 -2.09 -0.30 0.00 -0.03 0.00 0.00 54.58 52.16 1b96 n ASN 84 Cb 0.23 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1b96 n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1b96 n LYS 85 N 0.95 3.28 -2.33 3.52 5.02 -0.66 -4.30 118.16 123.65 1b96 n LYS 85 Ca 0.18 -4.25 -0.34 0.00 -2.02 0.00 0.00 58.31 51.88 1b96 n LYS 85 Cb 0.50 -2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.24 1b96 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b96 s LYS 86 N -3.67 3.54 -0.16 1.97 1.02 0.25 -4.70 119.74 117.99 1b96 s LYS 86 Ca 0.49 1.39 0.01 0.00 0.02 0.00 0.00 55.97 57.88 1b96 s LYS 86 Cb 0.41 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 1b96 s LYS 86 CO -0.22 -0.65 -0.20 0.42 -0.92 0.00 0.00 175.35 173.77 1b96 s ILE 87 N -2.06 2.14 -0.18 2.17 1.01 0.13 -1.41 121.20 123.00 1b96 s ILE 87 Ca 0.68 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1b96 s ILE 87 Cb -0.18 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1b96 s ILE 87 CO 0.26 0.54 0.31 0.00 0.00 0.00 0.00 174.94 176.06 1b96 s ALA 88 N 1.06 3.58 -0.13 9.38 0.00 -0.14 0.78 121.76 136.29 1b96 s ALA 88 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1b96 s ALA 88 Cb -0.14 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1b96 s ALA 88 CO -0.07 -0.04 -0.16 0.42 0.00 0.00 0.00 175.76 175.92 1b96 s ILE 89 N 0.74 1.61 -0.07 0.00 1.01 0.22 0.17 121.20 124.88 1b96 s ILE 89 Ca 0.17 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1b96 s ILE 89 Cb -0.13 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1b96 s ILE 89 CO 0.05 0.46 -0.25 -0.62 0.00 0.00 0.00 174.94 174.59 1b96 s ASP 90 N 1.20 3.09 -0.21 3.58 2.15 0.46 -0.44 116.67 126.50 1b96 s ASP 90 Ca -0.01 -0.52 -0.16 0.00 0.43 0.00 0.00 52.55 52.29 1b96 s ASP 90 Cb -0.14 -0.97 -0.04 0.00 -0.30 0.00 0.00 42.92 41.47 1b96 s ASP 90 CO -0.06 0.23 0.41 -0.63 -0.17 0.00 0.00 175.17 174.95 1b96 s ILE 91 N -0.06 5.19 -0.03 4.11 -1.09 -1.26 -0.76 121.20 127.30 1b96 s ILE 91 Ca -0.07 0.72 0.07 0.00 -2.23 0.00 0.00 60.65 59.14 1b96 s ILE 91 Cb -0.15 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1b96 s ILE 91 CO 0.05 0.24 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.23 1b96 s LYS 92 N 1.40 1.99 -0.02 2.79 3.01 0.62 -4.96 119.74 124.57 1b96 s LYS 92 Ca 0.19 -0.81 0.02 0.00 -1.01 0.00 0.00 55.97 54.36 1b96 s LYS 92 Cb -0.15 -1.85 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1b96 s LYS 92 CO 0.08 0.44 -0.08 0.99 0.51 0.00 0.00 175.35 177.30 1b96 s THR 93 N -0.40 0.68 0.27 2.17 2.01 -1.26 -0.20 115.64 118.91 1b96 s THR 93 Ca 0.05 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1b96 s THR 93 Cb -0.10 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1b96 s THR 93 CO 0.00 0.22 0.31 0.28 -0.69 0.00 0.00 174.62 174.75 1b96 s THR 94 N 0.21 0.00 0.49 -0.82 -1.32 -0.47 -4.96 115.64 108.76 1b96 s THR 94 Ca -0.03 -1.77 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1b96 s THR 94 Cb -0.08 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.42 1b96 s THR 94 CO 0.00 0.00 0.10 -0.72 -2.21 0.00 0.00 174.62 171.79 1b96 s TYR 95 N -3.75 2.02 -0.06 9.09 1.13 -1.26 -2.14 117.35 122.38 1b96 s TYR 95 Ca 0.34 -0.84 -0.03 0.00 -1.41 0.00 0.00 57.07 55.12 1b96 s TYR 95 Cb 0.03 -1.74 0.03 0.00 -1.10 0.00 0.00 41.96 39.18 1b96 s TYR 95 CO 0.16 0.13 0.14 -0.08 -2.51 0.00 0.00 175.55 173.39 1b96 s THR 96 N -2.80 -0.03 0.08 -3.49 -1.32 -0.10 -4.82 115.64 103.16 1b96 s THR 96 Ca 0.20 0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.66 1b96 s THR 96 Cb 0.03 -0.23 -0.14 0.00 -1.51 0.00 0.00 72.50 70.65 1b96 s THR 96 CO 0.11 0.05 1.32 0.78 -2.21 0.00 0.00 174.62 174.68 1b96 h ASN 97 N 6.84 0.79 -3.75 8.08 -0.26 -1.93 -2.21 115.58 123.13 1b96 h ASN 97 Ca -0.37 -0.58 -0.48 0.00 -0.56 0.00 0.00 56.30 54.31 1b96 h ASN 97 Cb 1.16 -0.23 -0.32 0.00 -1.06 0.00 0.00 38.32 37.87 1b96 h ASN 97 CO 0.42 1.23 -0.81 -1.59 -1.06 0.00 0.00 177.43 175.62 1b96 s LYS 98 N -3.94 1.32 -0.39 0.81 -2.85 -1.26 -4.58 119.74 108.85 1b96 s LYS 98 Ca -0.12 -0.40 -0.45 0.00 -1.00 0.00 0.00 55.97 54.01 1b96 s LYS 98 Cb 0.08 -1.17 -0.20 0.00 -2.06 0.00 0.00 37.83 34.48 1b96 s LYS 98 CO 0.86 0.12 1.46 -1.91 0.10 0.00 0.00 175.35 175.98 1b96 n GLU 99 N 3.38 0.00 -2.23 1.78 4.07 -1.26 -2.72 120.64 123.65 1b96 n GLU 99 Ca -0.19 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.88 1b96 n GLU 99 Cb 0.53 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.45 1b96 n GLU 99 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1b96 n ASN 100 N 3.43 -1.84 -4.36 4.31 5.15 -1.26 -5.09 115.26 115.60 1b96 n ASN 100 Ca 0.28 -0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 54.01 1b96 n ASN 100 Cb -0.03 -0.98 0.13 0.00 -0.53 0.00 0.00 39.78 38.37 1b96 n ASN 100 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1b96 n GLU 101 N -1.14 -0.26 -2.21 1.20 1.02 -1.10 -4.91 120.64 113.24 1b96 n GLU 101 Ca -0.02 -2.52 -0.38 0.00 -0.02 0.00 0.00 57.16 54.22 1b96 n GLU 101 Cb 0.52 -0.74 -0.01 0.00 -0.02 0.00 0.00 31.44 31.19 1b96 n GLU 101 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1b96 s LYS 102 N -5.12 3.79 0.15 3.49 1.02 -1.26 -4.61 119.74 117.19 1b96 s LYS 102 Ca 0.65 1.86 0.04 0.00 0.02 0.00 0.00 55.97 58.54 1b96 s LYS 102 Cb -0.03 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1b96 s LYS 102 CO 0.44 -0.55 -0.09 0.96 -0.92 0.00 0.00 175.35 175.19 1b96 s ILE 103 N -1.47 1.09 0.03 2.17 -4.36 -0.04 -4.91 121.20 113.71 1b96 s ILE 103 Ca 0.62 -2.04 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 1b96 s ILE 103 Cb -0.31 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 1b96 s ILE 103 CO 0.38 -0.73 0.09 -1.59 0.24 0.00 0.00 174.94 173.33 1b96 s LYS 104 N -3.77 0.53 0.21 0.37 -2.85 -1.26 -1.70 119.74 111.28 1b96 s LYS 104 Ca 0.17 -0.67 0.08 0.00 -1.00 0.00 0.00 55.97 54.55 1b96 s LYS 104 Cb 0.03 0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 1b96 s LYS 104 CO 0.01 -0.13 -0.13 -0.06 0.10 0.00 0.00 175.35 175.14 1b96 s PHE 105 N -2.22 1.74 -0.23 1.78 0.40 -1.26 -4.84 117.98 113.35 1b96 s PHE 105 Ca -0.08 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1b96 s PHE 105 Cb -0.03 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1b96 s PHE 105 CO -0.03 0.34 0.13 0.95 0.70 0.00 0.00 175.22 177.31 1b96 s THR 106 N -2.98 5.07 -0.52 0.64 -4.23 -1.26 -1.66 115.64 110.70 1b96 s THR 106 Ca 0.24 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1b96 s THR 106 Cb -0.00 -3.36 0.51 0.00 1.34 0.00 0.00 72.50 70.99 1b96 s THR 106 CO 0.08 0.36 1.83 0.18 -0.54 0.00 0.00 174.62 176.52 1b96 n LEU 107 N 4.32 6.71 0.00 4.79 4.77 0.19 -4.95 117.00 132.83 1b96 n LEU 107 Ca -0.15 -4.14 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 1b96 n LEU 107 Cb 0.52 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1b96 n LEU 107 CO 0.34 1.44 0.00 0.61 -1.33 0.00 0.00 177.39 178.45 1b96 n GLY 108 N -0.97 1.45 3.70 -0.72 0.00 -1.26 -4.63 105.19 102.76 1b96 n GLY 108 Ca 0.56 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1b96 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b96 s GLY 109 N -0.63 1.70 0.00 -0.02 0.00 -1.26 -0.02 107.32 107.09 1b96 s GLY 109 Ca 0.00 0.50 0.15 0.00 0.00 0.00 0.00 44.72 45.36 1b96 s GLY 109 CO 0.00 0.89 0.93 1.58 0.00 0.00 0.00 173.10 176.50 1b96 n TYR 110 N -3.99 0.00 -0.82 1.90 0.18 -0.28 -4.56 117.16 109.59 1b96 n TYR 110 Ca 0.11 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.97 1b96 n TYR 110 Cb 0.52 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.62 1b96 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b96 n THR 111 N 0.61 1.76 0.00 -3.48 -2.24 -1.26 -4.44 114.28 105.22 1b96 n THR 111 Ca 0.08 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1b96 n THR 111 Cb 0.35 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1b96 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b96 n SER 112 N -1.00 0.00 0.22 3.42 3.41 -1.26 -4.73 113.62 113.68 1b96 n SER 112 Ca 0.14 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.83 1b96 n SER 112 Cb 0.61 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.08 1b96 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b96 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.58 0.11 116.94 117.65 1b96 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b96 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b96 h PHE 113 CO 0.00 0.24 0.00 0.44 -2.00 0.00 0.00 178.31 176.99 1b96 n ILE 114 N -3.74 0.42 0.20 0.88 -5.35 -1.26 -3.25 119.36 107.27 1b96 n ILE 114 Ca -0.01 -0.05 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1b96 n ILE 114 Cb 0.35 -0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 37.52 1b96 n ILE 114 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1b96 n ARG 115 N -1.86 1.91 -3.70 6.28 1.74 -0.80 -4.88 116.66 115.35 1b96 n ARG 115 Ca 0.06 -0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1b96 n ARG 115 Cb 0.34 -1.11 -0.18 0.00 -1.02 0.00 0.00 32.46 30.50 1b96 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b96 s ASN 116 N -2.57 1.37 0.40 0.55 3.84 0.33 -5.02 114.94 113.83 1b96 s ASN 116 Ca -0.00 -0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.22 1b96 s ASN 116 Cb 0.07 -0.25 1.09 0.00 -0.55 0.00 0.00 41.25 41.61 1b96 s ASN 116 CO 0.40 -0.24 1.78 -1.13 -2.79 0.00 0.00 177.10 175.12 1b96 h ASN 117 N 8.40 0.46 -0.22 -4.21 -1.24 -1.84 -2.30 115.58 114.63 1b96 h ASN 117 Ca -0.15 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1b96 h ASN 117 Cb 1.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1b96 h ASN 117 CO 0.19 0.10 0.00 0.35 -1.29 0.00 0.00 177.43 176.79 1b96 n THR 118 N -4.62 1.47 -2.91 -3.57 -2.24 -1.26 -0.68 114.28 100.47 1b96 n THR 118 Ca 0.25 -1.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.21 1b96 n THR 118 Cb 0.84 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1b96 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b96 s LYS 119 N -1.73 4.08 -1.45 -0.78 2.20 -0.87 -4.19 119.74 117.00 1b96 s LYS 119 Ca 0.25 0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 56.56 1b96 s LYS 119 Cb 0.18 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1b96 s LYS 119 CO 0.09 -0.60 0.72 0.09 -0.36 0.00 0.00 175.35 175.29 1b96 n ASN 120 N 6.12 -5.14 -4.04 1.43 4.13 -1.26 -2.32 115.26 114.18 1b96 n ASN 120 Ca 0.05 -0.45 -0.16 0.00 1.68 0.00 0.00 54.58 55.70 1b96 n ASN 120 Cb 0.48 -4.15 -0.13 0.00 -1.54 0.00 0.00 39.78 34.44 1b96 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b96 s ILE 121 N -3.14 0.63 0.18 2.41 2.07 -1.26 -0.61 121.20 121.49 1b96 s ILE 121 Ca 0.44 -0.72 -0.13 0.00 -1.41 0.00 0.00 60.65 58.84 1b96 s ILE 121 Cb -0.22 -0.61 0.09 0.00 0.13 0.00 0.00 42.46 41.86 1b96 s ILE 121 CO 0.55 -0.09 1.83 0.58 -1.91 0.00 0.00 174.94 175.90 1b96 h VAL 122 N 4.71 1.17 -3.60 4.00 2.07 -0.88 -3.44 116.25 120.28 1b96 h VAL 122 Ca -0.33 -0.36 -0.49 0.00 0.82 0.00 0.00 66.70 66.34 1b96 h VAL 122 Cb 1.19 0.32 -0.19 0.00 -1.52 0.00 0.00 31.29 31.09 1b96 h VAL 122 CO 0.45 0.17 -0.78 -0.31 0.02 0.00 0.00 177.57 177.12 1b96 s TYR 123 N -6.04 1.62 0.07 1.57 2.02 -1.26 -5.07 117.35 110.25 1b96 s TYR 123 Ca -0.13 -0.48 -0.37 0.00 -0.37 0.00 0.00 57.07 55.72 1b96 s TYR 123 Cb 0.13 -0.85 -0.16 0.00 -0.40 0.00 0.00 41.96 40.68 1b96 s TYR 123 CO 0.76 0.21 1.40 -2.30 -1.57 0.00 0.00 175.55 174.06 1b96 n PRO 124 N 0.65 1.28 0.23 -1.71 -0.02 -1.26 -4.80 135.00 129.38 1b96 n PRO 124 Ca -0.16 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 61.96 1b96 n PRO 124 Cb 0.56 -2.13 0.84 0.00 -0.02 0.00 0.00 33.50 32.75 1b96 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b96 h PHE 125 N 4.96 0.00 -0.00 6.00 3.57 -1.24 -1.90 116.94 128.33 1b96 h PHE 125 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1b96 h PHE 125 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1b96 h PHE 125 CO 0.62 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 176.30 1b96 n ASP 126 N -3.41 0.18 -0.99 0.41 5.68 -1.26 -2.85 116.55 114.31 1b96 n ASP 126 Ca 0.02 -1.08 0.12 0.00 -0.50 0.00 0.00 54.79 53.34 1b96 n ASP 126 Cb 0.40 -0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.61 1b96 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b96 n GLN 127 N -0.85 2.31 -4.29 0.11 6.02 -0.71 -4.89 117.38 115.09 1b96 n GLN 127 Ca 0.23 -1.97 -0.34 0.00 -0.01 0.00 0.00 57.00 54.91 1b96 n GLN 127 Cb 0.14 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1b96 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b96 s TYR 128 N -1.67 3.11 -0.57 1.08 1.51 -1.13 -0.58 117.35 119.09 1b96 s TYR 128 Ca 0.35 -0.09 0.18 0.00 -1.01 0.00 0.00 57.07 56.50 1b96 s TYR 128 Cb 0.21 -1.95 -0.22 0.00 -0.11 0.00 0.00 41.96 39.89 1b96 s TYR 128 CO 0.31 0.12 0.64 0.44 -1.11 0.00 0.00 175.55 175.95 1b96 n ILE 129 N 3.24 0.00 -3.81 2.71 -6.64 -0.50 -4.87 119.36 109.48 1b96 n ILE 129 Ca -0.17 -0.19 -0.12 0.00 -1.77 0.00 0.00 62.75 60.49 1b96 n ILE 129 Cb 0.53 0.71 -0.11 0.00 -1.44 0.00 0.00 39.64 39.32 1b96 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b96 s ALA 130 N -2.86 -0.52 -0.28 -1.28 0.00 -1.24 -5.09 121.76 110.50 1b96 s ALA 130 Ca 0.02 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1b96 s ALA 130 Cb 0.13 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.08 1b96 s ALA 130 CO 0.73 -0.13 -0.01 -1.01 0.00 0.00 0.00 175.76 175.34 1b96 s HIS 131 N -0.25 2.88 0.05 0.00 3.76 -1.26 -0.97 115.29 119.51 1b96 s HIS 131 Ca -0.04 -2.25 0.02 0.00 -0.15 0.00 0.00 55.06 52.65 1b96 s HIS 131 Cb -0.03 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 1b96 s HIS 131 CO 0.01 -0.86 0.09 -1.58 -0.85 0.00 0.00 174.74 171.54 1b96 s TRP 132 N 1.22 3.24 -0.18 1.40 0.51 0.46 -1.39 118.94 124.19 1b96 s TRP 132 Ca 0.01 0.13 -0.01 0.00 -2.12 0.00 0.00 56.10 54.10 1b96 s TRP 132 Cb -0.19 -1.66 -0.00 0.00 -0.81 0.00 0.00 33.47 30.80 1b96 s TRP 132 CO -0.09 0.53 -0.11 0.42 -0.51 0.00 0.00 176.95 177.19 1b96 s ILE 133 N -1.34 2.92 -0.49 2.03 -1.09 0.42 -0.40 121.20 123.24 1b96 s ILE 133 Ca 0.28 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.87 1b96 s ILE 133 Cb -0.12 -2.27 0.07 0.00 -1.58 0.00 0.00 42.46 38.56 1b96 s ILE 133 CO 0.20 0.48 0.46 -0.63 -1.23 0.00 0.00 174.94 174.22 1b96 s ILE 134 N 1.11 5.14 -0.16 2.92 1.01 0.06 -1.56 121.20 129.73 1b96 s ILE 134 Ca 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1b96 s ILE 134 Cb -0.14 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1b96 s ILE 134 CO -0.03 -0.66 0.11 -0.83 0.00 0.00 0.00 174.94 173.53 1b96 s GLY 135 N 2.70 2.03 -0.10 6.18 0.00 -0.72 -0.27 107.32 117.14 1b96 s GLY 135 Ca 0.07 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1b96 s GLY 135 CO 0.08 -0.09 -0.20 -0.19 0.00 0.00 0.00 173.10 172.69 1b96 s TYR 136 N -0.16 2.64 -0.10 1.90 2.02 0.72 -1.25 117.35 123.13 1b96 s TYR 136 Ca 0.09 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 1b96 s TYR 136 Cb -0.12 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1b96 s TYR 136 CO 0.01 -0.29 -0.12 0.08 -1.57 0.00 0.00 175.55 173.66 1b96 s VAL 137 N 0.22 3.18 0.02 0.71 1.01 -0.48 -1.37 120.40 123.70 1b96 s VAL 137 Ca -0.13 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1b96 s VAL 137 Cb -0.16 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1b96 s VAL 137 CO 0.07 0.55 -0.09 -0.72 0.00 0.00 0.00 175.10 174.91 1b96 s TYR 138 N -0.15 0.80 -0.19 5.22 -0.85 -0.91 -0.85 117.35 120.42 1b96 s TYR 138 Ca -0.00 -0.31 -0.19 0.00 -0.52 0.00 0.00 57.07 56.05 1b96 s TYR 138 Cb -0.13 -0.49 -0.03 0.00 0.38 0.00 0.00 41.96 41.69 1b96 s TYR 138 CO 0.03 -0.02 0.54 0.99 -1.52 0.00 0.00 175.55 175.57 1b96 s THR 139 N -0.76 5.10 0.13 -3.49 2.01 0.46 -0.92 115.64 118.16 1b96 s THR 139 Ca -0.02 1.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 1b96 s THR 139 Cb -0.07 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1b96 s THR 139 CO 0.00 0.18 1.57 -0.13 -0.69 0.00 0.00 174.62 175.55 1b96 s ARG 140 N 1.61 4.22 -0.12 4.92 0.52 -0.83 -0.17 118.95 129.11 1b96 s ARG 140 Ca 0.25 2.32 0.03 0.00 -0.52 0.00 0.00 55.73 57.81 1b96 s ARG 140 Cb -0.15 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1b96 s ARG 140 CO 0.10 -0.62 -0.23 0.08 0.02 0.00 0.00 175.30 174.65 1b96 s VAL 141 N 1.53 2.03 0.20 3.52 1.01 -0.88 -4.85 120.40 122.96 1b96 s VAL 141 Ca 0.70 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1b96 s VAL 141 Cb -0.42 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1b96 s VAL 141 CO 0.31 0.55 1.36 0.00 0.00 0.00 0.00 175.10 177.32 1b96 s ALA 142 N 0.56 3.57 0.51 5.51 0.00 -1.26 -4.33 121.76 126.32 1b96 s ALA 142 Ca -0.14 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 1b96 s ALA 142 Cb -0.17 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1b96 s ALA 142 CO 0.04 -0.61 1.36 0.99 0.00 0.00 0.00 175.76 177.54 1b96 s THR 143 N 0.19 2.18 0.21 0.00 2.01 -1.26 -4.96 115.64 114.02 1b96 s THR 143 Ca 0.58 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1b96 s THR 143 Cb -0.38 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1b96 s THR 143 CO 0.39 0.01 0.12 -2.11 -0.69 0.00 0.00 174.62 172.33 1b96 n ARG 144 N -0.73 0.51 -0.06 4.92 1.85 -1.26 -5.07 116.66 116.81 1b96 n ARG 144 Ca 0.09 -1.92 -0.11 0.00 -1.00 0.00 0.00 57.85 54.90 1b96 n ARG 144 Cb 0.44 1.28 -0.08 0.00 -1.05 0.00 0.00 32.46 33.06 1b96 n ARG 144 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1b96 h LYS 145 N 0.00 -0.37 0.00 2.89 3.11 -2.02 -2.66 116.57 117.52 1b96 h LYS 145 Ca -0.16 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1b96 h LYS 145 Cb 0.68 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1b96 h LYS 145 CO 0.24 -0.25 0.13 0.66 -2.81 0.00 0.00 179.45 177.43 1b96 h SER 146 N -0.38 0.00 0.87 4.20 4.64 -1.98 -0.27 113.55 120.63 1b96 h SER 146 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1b96 h SER 146 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1b96 h SER 146 CO -0.41 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.01 1b96 n SER 147 N -2.51 0.07 -1.90 4.97 3.41 -1.00 -3.61 113.62 113.04 1b96 n SER 147 Ca -0.02 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1b96 n SER 147 Cb 0.17 -0.53 0.41 0.00 -0.26 0.00 0.00 64.21 64.00 1b96 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b96 n LEU 148 N -1.57 5.76 -4.39 1.04 4.77 -0.11 -4.55 117.00 117.94 1b96 n LEU 148 Ca 0.06 -2.93 -0.20 0.00 -0.03 0.00 0.00 56.01 52.92 1b96 n LEU 148 Cb 0.29 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1b96 n LEU 148 CO 0.23 0.63 -0.31 -1.59 -1.33 0.00 0.00 177.39 175.02 1b96 s LYS 149 N -2.77 1.50 0.34 3.23 -2.85 -1.24 -5.12 119.74 112.84 1b96 s LYS 149 Ca 0.55 -1.79 -0.09 0.00 -1.00 0.00 0.00 55.97 53.64 1b96 s LYS 149 Cb 0.42 -0.82 -0.06 0.00 -2.06 0.00 0.00 37.83 35.31 1b96 s LYS 149 CO 0.16 -0.10 0.67 0.95 0.10 0.00 0.00 175.35 177.12 1b96 s THR 150 N -3.29 4.88 0.41 3.79 -4.23 -1.26 -4.43 115.64 111.50 1b96 s THR 150 Ca 0.32 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.30 1b96 s THR 150 Cb 0.06 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.11 1b96 s THR 150 CO 0.12 -0.40 0.01 -0.31 -0.54 0.00 0.00 174.62 173.51 1b96 s TYR 151 N -2.20 2.41 0.34 3.99 1.51 0.80 -4.96 117.35 119.23 1b96 s TYR 151 Ca 0.48 -0.72 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 1b96 s TYR 151 Cb -0.10 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1b96 s TYR 151 CO 0.29 0.39 -0.05 -0.80 -1.11 0.00 0.00 175.55 174.28 1b96 s ASN 152 N -3.71 3.97 0.36 2.29 0.01 -1.26 -1.22 114.94 115.38 1b96 s ASN 152 Ca 0.32 -1.07 0.10 0.00 -0.71 0.00 0.00 52.86 51.50 1b96 s ASN 152 Cb 0.09 -0.45 0.84 0.00 0.41 0.00 0.00 41.25 42.14 1b96 s ASN 152 CO 0.16 -0.20 1.85 0.40 -1.51 0.00 0.00 177.10 177.81 1b96 h ILE 153 N 1.93 0.79 0.00 0.60 2.04 -1.99 -0.02 117.51 120.86 1b96 h ILE 153 Ca -0.42 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1b96 h ILE 153 Cb 1.25 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1b96 h ILE 153 CO 0.68 0.12 -0.18 -0.55 0.00 0.00 0.00 178.15 178.22 1b96 h ASN 154 N 0.66 0.00 -0.42 1.72 7.08 -1.96 -2.62 115.58 120.04 1b96 h ASN 154 Ca 0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.70 1b96 h ASN 154 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.07 1b96 h ASN 154 CO -0.23 0.18 0.00 -0.62 -2.08 0.00 0.00 177.43 174.68 1b96 n GLU 155 N -4.06 2.62 -0.33 4.14 1.02 -0.02 -4.59 120.64 119.42 1b96 n GLU 155 Ca -0.02 -1.79 0.22 0.00 -0.02 0.00 0.00 57.16 55.55 1b96 n GLU 155 Cb 0.26 -1.61 0.44 0.00 -0.02 0.00 0.00 31.44 30.51 1b96 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b96 h LEU 156 N 2.62 0.50 0.00 -4.62 3.38 -1.46 0.20 115.31 115.93 1b96 h LEU 156 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b96 h LEU 156 Cb 0.94 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1b96 h LEU 156 CO 0.12 -0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.15 1b96 n ASN 157 N -5.04 0.00 0.01 -0.43 4.13 -1.26 -3.77 115.26 108.90 1b96 n ASN 157 Ca 0.30 0.26 0.11 0.00 1.68 0.00 0.00 54.58 56.93 1b96 n ASN 157 Cb 0.92 -0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 1b96 n ASN 157 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1b96 n GLU 158 N -1.42 0.24 -2.04 3.52 1.02 0.06 -4.96 120.64 117.06 1b96 n GLU 158 Ca 0.10 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1b96 n GLU 158 Cb 0.29 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 1b96 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b96 s ILE 159 N -3.18 3.44 0.27 -3.67 1.01 -1.23 -4.97 121.20 112.88 1b96 s ILE 159 Ca 0.04 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 1b96 s ILE 159 Cb 0.15 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 1b96 s ILE 159 CO 0.83 -0.03 1.57 -2.16 0.00 0.00 0.00 174.94 175.15 1b96 s PRO 160 N 3.20 4.16 -0.08 2.79 0.04 -1.26 -5.00 135.00 138.85 1b96 s PRO 160 Ca 0.71 2.50 -0.02 0.00 0.04 0.00 0.00 61.00 64.23 1b96 s PRO 160 Cb -0.35 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1b96 s PRO 160 CO 0.29 -0.59 0.02 0.15 0.04 0.00 0.00 177.00 176.92 1b96 s LYS 161 N -0.23 3.03 -0.01 4.56 3.01 -1.26 -4.62 119.74 124.22 1b96 s LYS 161 Ca 0.64 -0.39 0.01 0.00 -1.01 0.00 0.00 55.97 55.22 1b96 s LYS 161 Cb -0.46 -2.84 0.04 0.00 -1.01 0.00 0.00 37.83 33.56 1b96 s LYS 161 CO 0.44 0.70 0.74 -0.35 0.51 0.00 0.00 175.35 177.40 1b96 n PRO 162 N 2.00 1.16 -3.91 -1.68 -0.04 -1.26 -4.83 135.00 126.45 1b96 n PRO 162 Ca -0.18 -0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.03 1b96 n PRO 162 Cb 0.54 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 1b96 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b96 s TYR 163 N -1.42 0.26 0.13 0.54 -0.85 -1.26 -2.08 117.35 112.67 1b96 s TYR 163 Ca 0.03 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1b96 s TYR 163 Cb 0.02 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 1b96 s TYR 163 CO 0.01 -0.82 0.09 0.21 -1.52 0.00 0.00 175.55 173.52 1b96 s LYS 164 N -3.95 0.95 -1.21 -3.49 2.20 0.77 -4.79 119.74 110.20 1b96 s LYS 164 Ca 0.16 -1.39 -0.23 0.00 -0.36 0.00 0.00 55.97 54.15 1b96 s LYS 164 Cb 0.01 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1b96 s LYS 164 CO 0.01 -0.28 0.44 0.41 -0.36 0.00 0.00 175.35 175.57 1b96 n GLY 165 N -0.11 -0.57 3.69 5.54 0.00 -1.26 -0.41 105.19 112.08 1b96 n GLY 165 Ca -0.06 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1b96 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b96 s VAL 166 N -3.84 3.52 0.16 1.61 1.01 -1.26 -4.18 120.40 117.43 1b96 s VAL 166 Ca 0.32 0.96 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1b96 s VAL 166 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1b96 s VAL 166 CO 0.91 0.01 -0.11 -0.54 0.00 0.00 0.00 175.10 175.37 1b96 s LYS 167 N 2.21 2.02 0.03 2.72 1.02 -0.03 -4.95 119.74 122.75 1b96 s LYS 167 Ca 0.66 -1.23 0.02 0.00 0.02 0.00 0.00 55.97 55.44 1b96 s LYS 167 Cb -0.34 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1b96 s LYS 167 CO 0.28 0.45 -0.07 0.54 -0.92 0.00 0.00 175.35 175.63 1b96 s VAL 168 N -1.56 0.47 0.06 3.17 0.11 -1.26 -1.38 120.40 120.01 1b96 s VAL 168 Ca 0.23 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1b96 s VAL 168 Cb -0.09 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1b96 s VAL 168 CO 0.14 -0.25 -0.03 0.72 -3.33 0.00 0.00 175.10 172.35 1b96 s PHE 169 N -1.03 0.59 -0.09 1.54 -0.12 -0.38 -4.95 117.98 113.53 1b96 s PHE 169 Ca -0.07 -1.06 0.01 0.00 -0.05 0.00 0.00 56.93 55.76 1b96 s PHE 169 Cb -0.08 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.92 1b96 s PHE 169 CO 0.00 -0.36 -0.11 -1.17 -0.05 0.00 0.00 175.22 173.54 1b96 s LEU 170 N -2.94 1.47 0.11 -1.99 0.20 -1.26 -1.75 118.68 112.52 1b96 s LEU 170 Ca 0.09 -0.31 -0.23 0.00 0.69 0.00 0.00 54.13 54.37 1b96 s LEU 170 Cb 0.08 -0.86 0.06 0.00 -0.43 0.00 0.00 46.19 45.04 1b96 s LEU 170 CO -0.09 -0.03 0.56 -1.58 -0.29 0.00 0.00 176.35 174.92 1b96 s GLN 171 N 1.14 1.18 0.30 1.98 2.00 -0.60 -4.91 119.66 120.75 1b96 s GLN 171 Ca -0.05 -0.39 -0.29 0.00 -2.00 0.00 0.00 55.36 52.62 1b96 s GLN 171 Cb -0.14 0.54 -0.10 0.00 0.80 0.00 0.00 33.01 34.11 1b96 s GLN 171 CO -0.02 -0.48 1.19 -0.51 -0.50 0.00 0.00 175.29 174.96 1b96 s ASP 172 N -2.47 7.07 0.15 6.67 1.11 -1.26 -0.44 116.67 127.50 1b96 s ASP 172 Ca -0.01 2.44 -0.15 0.00 0.18 0.00 0.00 52.55 55.01 1b96 s ASP 172 Cb -0.00 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.38 1b96 s ASP 172 CO -0.09 -0.31 1.74 0.50 1.18 0.00 0.00 175.17 178.20 1b96 h LYS 173 N 3.70 0.67 0.00 8.23 3.64 -1.56 -2.36 116.57 128.89 1b96 h LYS 173 Ca -0.47 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1b96 h LYS 173 Cb 1.22 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1b96 h LYS 173 CO 0.67 0.56 -0.04 0.11 -2.27 0.00 0.00 179.45 178.47 1b96 h TRP 174 N 0.62 0.00 -0.11 1.91 5.08 -1.92 -2.02 115.95 119.50 1b96 h TRP 174 Ca 0.16 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.97 1b96 h TRP 174 Cb 0.10 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1b96 h TRP 174 CO -0.01 0.04 -0.61 0.28 -1.28 0.00 0.00 178.44 176.87 1b96 h VAL 175 N 0.00 1.36 -0.02 0.12 2.07 -1.81 -3.23 116.25 114.74 1b96 h VAL 175 Ca -0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1b96 h VAL 175 Cb 0.08 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1b96 h VAL 175 CO 0.01 0.58 -0.43 2.30 0.02 0.00 0.00 177.57 180.05 1b96 n ILE 176 N -3.90 0.00 -1.71 4.57 -5.35 -1.13 -2.75 119.36 109.10 1b96 n ILE 176 Ca -0.03 -0.28 -0.40 0.00 -0.27 0.00 0.00 62.75 61.77 1b96 n ILE 176 Cb 0.63 1.26 0.02 0.00 -1.74 0.00 0.00 39.64 39.81 1b96 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b96 n ALA 177 N 0.03 1.31 -3.72 -1.28 0.00 -0.78 0.09 120.51 116.16 1b96 n ALA 177 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1b96 n ALA 177 Cb 0.45 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1b96 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b96 n GLY 178 N 0.83 3.65 0.19 0.00 0.00 0.02 -3.95 105.19 105.93 1b96 n GLY 178 Ca 0.08 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1b96 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b96 n ASP 179 N -1.50 1.85 -4.55 1.61 5.75 -1.26 -4.68 116.55 113.76 1b96 n ASP 179 Ca 0.00 -1.61 -0.34 0.00 -0.01 0.00 0.00 54.79 52.84 1b96 n ASP 179 Cb 0.00 -0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 39.93 1b96 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b96 s LEU 180 N -0.68 3.06 0.57 -2.12 1.43 -1.26 -4.48 118.68 115.21 1b96 s LEU 180 Ca 0.06 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 1b96 s LEU 180 Cb 0.04 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1b96 s LEU 180 CO 0.05 0.35 1.00 0.00 0.23 0.00 0.00 176.35 177.98 1b96 n ALA 181 N 2.27 0.28 0.39 4.21 0.00 -1.26 -2.64 120.51 123.76 1b96 n ALA 181 Ca -0.18 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1b96 n ALA 181 Cb 0.53 -2.12 0.04 0.00 0.00 0.00 0.00 19.45 17.89 1b96 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b96 n GLY 182 N 1.24 -1.32 3.55 0.00 0.00 0.10 -4.53 105.19 104.23 1b96 n GLY 182 Ca 0.13 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1b96 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b96 s SER 183 N -4.46 -0.68 0.00 1.61 1.04 -1.23 -4.88 113.70 105.10 1b96 s SER 183 Ca 0.02 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1b96 s SER 183 Cb 0.13 0.83 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1b96 s SER 183 CO 0.79 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1b96 n GLY 184 N 1.48 1.78 0.31 7.32 0.00 -1.26 -3.43 105.19 111.40 1b96 n GLY 184 Ca -0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1b96 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b96 h ASN 185 N 0.00 0.00 -0.75 1.61 7.08 -2.00 -1.11 115.58 120.41 1b96 h ASN 185 Ca 0.00 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.98 1b96 h ASN 185 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 36.09 1b96 h ASN 185 CO 0.00 0.00 0.30 0.35 -2.08 0.00 0.00 177.43 176.00 1b96 n THR 186 N -4.13 2.95 -2.26 6.14 -2.24 -1.26 -5.01 114.28 108.47 1b96 n THR 186 Ca 0.01 -1.72 -0.06 0.00 -2.27 0.00 0.00 64.05 60.01 1b96 n THR 186 Cb 0.25 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1b96 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b96 n THR 187 N -0.30 -0.63 -4.44 4.28 -2.24 -0.42 -4.79 114.28 105.74 1b96 n THR 187 Ca 0.43 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.89 1b96 n THR 187 Cb 1.40 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1b96 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b96 s ASN 188 N -1.46 4.56 0.33 3.42 0.02 -1.22 -1.13 114.94 119.46 1b96 s ASN 188 Ca 0.03 -0.19 -0.29 0.00 -1.02 0.00 0.00 52.86 51.39 1b96 s ASN 188 Cb -0.00 -1.03 -0.10 0.00 0.02 0.00 0.00 41.25 40.14 1b96 s ASN 188 CO 0.16 0.27 1.31 -0.63 0.02 0.00 0.00 177.10 178.22 1b96 s ILE 189 N -1.03 2.74 0.04 0.60 1.01 0.97 0.00 121.20 125.53 1b96 s ILE 189 Ca 0.18 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 1b96 s ILE 189 Cb -0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1b96 s ILE 189 CO 0.08 0.17 0.20 -0.83 0.00 0.00 0.00 174.94 174.57 1b96 s GLY 190 N -0.46 2.18 0.85 6.18 0.00 -1.08 0.57 107.32 115.56 1b96 s GLY 190 Ca 0.49 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 1b96 s GLY 190 CO 0.52 -0.77 1.17 -1.35 0.00 0.00 0.00 173.10 172.67 1b96 s SER 191 N -2.34 3.75 0.86 1.64 1.04 -0.66 -0.80 113.70 117.19 1b96 s SER 191 Ca 0.33 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.72 1b96 s SER 191 Cb -0.13 -0.30 0.11 0.00 0.10 0.00 0.00 66.02 65.81 1b96 s SER 191 CO 0.25 -2.30 1.13 0.27 0.98 0.00 0.00 173.24 173.57 1b96 s ILE 192 N -3.55 2.55 -0.62 -1.02 -4.36 0.11 -4.00 121.20 110.32 1b96 s ILE 192 Ca 0.70 0.18 -0.10 0.00 -0.26 0.00 0.00 60.65 61.16 1b96 s ILE 192 Cb -0.05 -2.38 0.16 0.00 1.25 0.00 0.00 42.46 41.44 1b96 s ILE 192 CO 0.49 -0.23 0.51 -2.28 0.24 0.00 0.00 174.94 173.67 1b96 s HIS 193 N -2.75 3.50 0.35 1.37 5.65 -1.26 -4.52 115.29 117.63 1b96 s HIS 193 Ca 0.65 -1.99 -0.07 0.00 0.25 0.00 0.00 55.06 53.89 1b96 s HIS 193 Cb -0.21 -3.58 0.03 0.00 -1.18 0.00 0.00 32.58 27.64 1b96 s HIS 193 CO 0.57 -0.97 0.60 0.00 -0.65 0.00 0.00 174.74 174.29 1b96 n ALA 194 N 4.39 -0.94 -1.56 1.58 0.00 -0.69 -4.86 120.51 118.44 1b96 n ALA 194 Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 53.44 51.75 1b96 n ALA 194 Cb 0.42 1.12 0.08 0.00 0.00 0.00 0.00 19.45 21.07 1b96 n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1b96 s HIS 195 N -2.81 2.91 0.19 0.00 3.76 -1.26 -0.86 115.29 117.23 1b96 s HIS 195 Ca 0.22 1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 56.22 1b96 s HIS 195 Cb -0.03 -3.05 0.19 0.00 1.11 0.00 0.00 32.58 30.80 1b96 s HIS 195 CO 0.16 -1.62 1.67 -0.92 -0.85 0.00 0.00 174.74 173.18 1b96 h TYR 196 N -0.98 -0.12 -0.68 1.40 3.20 -1.91 -2.14 116.97 115.74 1b96 h TYR 196 Ca -0.46 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.55 1b96 h TYR 196 Cb 1.25 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 1b96 h TYR 196 CO 0.51 -0.16 0.45 1.57 -1.64 0.00 0.00 178.16 178.90 1b96 h LYS 197 N 0.07 0.50 0.00 1.82 2.10 -1.99 0.31 116.57 119.38 1b96 h LYS 197 Ca 0.25 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.84 1b96 h LYS 197 Cb 0.39 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1b96 h LYS 197 CO -0.46 0.33 -0.17 -0.44 -2.00 0.00 0.00 179.45 176.71 1b96 h ASP 198 N 0.52 0.00 -0.05 7.07 3.32 -1.75 -0.51 116.42 125.01 1b96 h ASP 198 Ca 0.32 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 1b96 h ASP 198 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1b96 h ASP 198 CO -0.10 0.17 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.01 1b96 h PHE 199 N 0.00 0.41 0.14 4.55 -1.00 -0.98 0.37 116.94 120.43 1b96 h PHE 199 Ca -0.00 -0.19 0.02 0.00 2.81 0.00 0.00 57.97 60.61 1b96 h PHE 199 Cb 0.29 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 1b96 h PHE 199 CO 0.00 0.93 -0.33 0.28 -1.61 0.00 0.00 178.31 177.58 1b96 h VAL 200 N -0.22 0.30 0.00 -0.55 2.07 -1.21 -2.34 116.25 114.30 1b96 h VAL 200 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1b96 h VAL 200 Cb 0.98 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1b96 h VAL 200 CO 0.06 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.32 1b96 h GLU 201 N -0.57 0.00 -1.84 1.57 5.08 -1.17 -3.48 114.58 114.18 1b96 h GLU 201 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1b96 h GLU 201 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1b96 h GLU 201 CO -0.18 0.00 -0.09 0.41 -1.00 0.00 0.00 179.01 178.14 1b96 n GLY 202 N 0.23 0.66 2.76 -3.84 0.00 -0.07 -4.95 105.19 99.97 1b96 n GLY 202 Ca 0.02 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1b96 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b96 n LYS 203 N -1.17 3.54 -0.37 1.61 4.76 -0.11 -4.87 118.16 121.54 1b96 n LYS 203 Ca -0.01 -3.22 0.00 0.00 -2.87 0.00 0.00 58.31 52.21 1b96 n LYS 203 Cb 0.51 -2.98 0.00 0.00 -1.84 0.00 0.00 35.03 30.72 1b96 n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b96 n GLY 204 N 3.04 0.13 0.00 0.72 0.00 -1.11 -4.96 105.19 103.01 1b96 n GLY 204 Ca 0.47 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1b96 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b96 n ILE 205 N -1.45 0.00 -2.99 -0.61 -5.35 -1.25 -4.99 119.36 102.71 1b96 n ILE 205 Ca 0.00 -0.24 -0.40 0.00 -0.27 0.00 0.00 62.75 61.84 1b96 n ILE 205 Cb 0.00 0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 38.63 1b96 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b96 s PHE 206 N -2.27 3.80 0.05 4.28 0.08 -1.26 -4.97 117.98 117.69 1b96 s PHE 206 Ca 0.02 1.53 0.10 0.00 0.12 0.00 0.00 56.93 58.70 1b96 s PHE 206 Cb 0.08 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 1b96 s PHE 206 CO 0.47 0.37 1.38 -0.44 -0.10 0.00 0.00 175.22 176.90 1b96 h ASP 207 N 5.16 0.00 -5.48 1.36 3.32 -1.96 -3.47 116.42 115.35 1b96 h ASP 207 Ca -0.45 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.38 1b96 h ASP 207 Cb 1.21 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1b96 h ASP 207 CO 0.69 0.78 -0.28 -0.94 -1.72 0.00 0.00 179.24 177.77 1b96 s SER 208 N -6.63 0.49 0.32 6.45 1.04 -1.26 -5.03 113.70 109.08 1b96 s SER 208 Ca 0.02 -1.31 0.16 0.00 0.48 0.00 0.00 55.95 55.29 1b96 s SER 208 Cb 0.10 0.57 0.44 0.00 0.10 0.00 0.00 66.02 67.23 1b96 s SER 208 CO 0.78 -1.14 1.63 -0.08 0.98 0.00 0.00 173.24 175.41 1b96 h GLU 209 N 2.27 0.00 -0.30 4.02 4.81 -1.92 -2.78 114.58 120.67 1b96 h GLU 209 Ca -0.29 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.79 1b96 h GLU 209 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1b96 h GLU 209 CO 0.41 0.50 -0.41 -0.44 -0.73 0.00 0.00 179.01 178.33 1b96 h ASP 210 N 0.00 0.80 0.38 1.04 3.32 -1.98 -1.35 116.42 118.62 1b96 h ASP 210 Ca -0.00 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1b96 h ASP 210 Cb 1.09 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1b96 h ASP 210 CO 0.06 1.11 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.43 1b96 h GLU 211 N 0.61 -0.49 -0.68 3.56 4.81 -1.95 0.15 114.58 120.59 1b96 h GLU 211 Ca 0.05 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1b96 h GLU 211 Cb 0.96 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.33 1b96 h GLU 211 CO 0.09 -0.21 -0.38 0.35 -0.73 0.00 0.00 179.01 178.13 1b96 h PHE 212 N -0.72 -1.09 -0.55 0.92 3.57 -1.44 0.77 116.94 118.41 1b96 h PHE 212 Ca -0.05 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1b96 h PHE 212 Cb 0.50 0.57 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1b96 h PHE 212 CO -0.00 -0.40 0.34 -0.07 -2.23 0.00 0.00 178.31 175.95 1b96 h LEU 213 N -0.14 0.55 -0.37 0.59 3.38 -1.17 -0.33 115.31 117.82 1b96 h LEU 213 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1b96 h LEU 213 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1b96 h LEU 213 CO -0.75 0.39 -0.19 -0.78 0.09 0.00 0.00 178.44 177.20 1b96 h ASP 214 N 0.67 0.81 0.01 -0.43 3.58 0.23 0.37 116.42 121.66 1b96 h ASP 214 Ca 0.22 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1b96 h ASP 214 Cb 0.00 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1b96 h ASP 214 CO -0.09 1.04 -0.02 0.22 -2.88 0.00 0.00 179.24 177.51 1b96 h TYR 215 N 0.57 -0.06 0.00 0.28 5.03 0.54 -2.99 116.97 120.36 1b96 h TYR 215 Ca 0.08 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1b96 h TYR 215 Cb 0.75 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1b96 h TYR 215 CO 0.06 -0.04 0.00 -1.49 -1.32 0.00 0.00 178.16 175.37 1b96 h TRP 216 N -0.05 0.00 0.00 -3.82 4.06 -0.98 -1.17 115.95 113.99 1b96 h TRP 216 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1b96 h TRP 216 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1b96 h TRP 216 CO -0.09 0.00 -0.09 0.54 -3.56 0.00 0.00 178.44 175.24 1b96 n ARG 217 N -2.74 0.13 0.00 0.49 1.74 0.11 -3.52 116.66 112.87 1b96 n ARG 217 Ca 0.04 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1b96 n ARG 217 Cb 0.45 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1b96 n ARG 217 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1b96 n ASN 218 N -1.85 0.99 -4.75 0.55 3.02 -1.14 -5.02 115.26 107.06 1b96 n ASN 218 Ca 0.06 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1b96 n ASN 218 Cb 0.38 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1b96 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b96 s TYR 219 N -0.01 2.94 0.45 3.10 6.14 -0.45 -4.97 117.35 124.56 1b96 s TYR 219 Ca 0.00 0.99 -0.13 0.00 0.64 0.00 0.00 57.07 58.57 1b96 s TYR 219 Cb 0.00 -3.88 -0.07 0.00 0.42 0.00 0.00 41.96 38.43 1b96 s TYR 219 CO 0.00 -2.87 0.86 -1.21 0.64 0.00 0.00 175.55 172.97 1b96 s GLU 220 N -0.50 3.85 0.44 4.97 0.41 -1.26 -5.00 118.70 121.61 1b96 s GLU 220 Ca 0.60 0.67 0.18 0.00 -0.41 0.00 0.00 54.97 56.01 1b96 s GLU 220 Cb -0.43 -2.28 1.02 0.00 -1.78 0.00 0.00 34.13 30.65 1b96 s GLU 220 CO 0.45 -0.13 1.94 0.00 -0.49 0.00 0.00 175.26 177.03 1b96 h ARG 221 N 1.12 0.00 -4.78 1.61 3.08 -1.94 -3.45 114.38 110.03 1b96 h ARG 221 Ca -0.47 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.32 1b96 h ARG 221 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.09 1b96 h ARG 221 CO 0.63 0.24 -0.70 0.95 -1.07 0.00 0.00 179.97 180.01 1b96 s THR 222 N -4.28 0.83 0.24 2.04 -4.23 -1.26 -5.00 115.64 103.98 1b96 s THR 222 Ca -0.03 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1b96 s THR 222 Cb 0.14 -1.69 0.22 0.00 1.34 0.00 0.00 72.50 72.51 1b96 s THR 222 CO 0.67 -0.81 1.70 0.28 -0.54 0.00 0.00 174.62 175.92 1b96 h SER 223 N 2.98 0.12 -0.58 3.99 0.02 -1.97 0.12 113.55 118.22 1b96 h SER 223 Ca -0.36 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1b96 h SER 223 Cb 1.17 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1b96 h SER 223 CO 0.63 0.02 0.37 -0.61 -1.14 0.00 0.00 176.83 176.11 1b96 h GLN 224 N 0.33 0.77 0.00 3.45 4.15 -1.99 0.62 115.11 122.44 1b96 h GLN 224 Ca 0.40 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.70 1b96 h GLN 224 Cb 0.65 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1b96 h GLN 224 CO -0.46 0.52 -0.34 -0.07 -1.93 0.00 0.00 178.83 176.55 1b96 h LEU 225 N 0.78 0.00 0.00 -2.39 3.38 -1.67 -3.15 115.31 112.27 1b96 h LEU 225 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1b96 h LEU 225 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1b96 h LEU 225 CO -0.04 0.34 -0.66 0.03 0.09 0.00 0.00 178.44 178.21 1b96 h ARG 226 N 0.00 0.00 -0.39 1.13 3.08 -0.39 -3.36 114.38 114.45 1b96 h ARG 226 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1b96 h ARG 226 Cb 0.99 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.96 1b96 h ARG 226 CO 0.04 0.00 -0.14 -0.91 -1.07 0.00 0.00 179.97 177.90 1b96 h ASN 227 N 0.00 -0.48 0.46 7.04 2.35 -0.84 -1.52 115.58 122.59 1b96 h ASN 227 Ca 0.00 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1b96 h ASN 227 Cb 0.88 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1b96 h ASN 227 CO 0.00 -0.17 -0.22 -2.24 -1.65 0.00 0.00 177.43 173.15 1b96 h ASP 228 N -0.05 -0.52 0.00 5.81 3.04 -1.74 -3.42 116.42 119.54 1b96 h ASP 228 Ca 0.19 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1b96 h ASP 228 Cb 0.34 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1b96 h ASP 228 CO -0.43 -0.32 0.00 1.17 -2.04 0.00 0.00 179.24 177.62 1b96 n LYS 229 N -5.33 0.00 -3.55 4.15 4.81 -1.08 -5.08 118.16 112.08 1b96 n LYS 229 Ca -0.11 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.19 1b96 n LYS 229 Cb 0.28 -0.10 -0.06 0.00 0.02 0.00 0.00 35.03 35.17 1b96 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b96 s TYR 230 N -0.01 -0.52 -0.02 5.64 -0.85 -0.59 -4.86 117.35 116.15 1b96 s TYR 230 Ca 0.00 0.90 0.00 0.00 -0.52 0.00 0.00 57.07 57.45 1b96 s TYR 230 Cb 0.00 0.43 -0.01 0.00 0.38 0.00 0.00 41.96 42.76 1b96 s TYR 230 CO 0.00 -0.47 0.02 0.09 -1.52 0.00 0.00 175.55 173.67 1b96 n ASN 231 N 0.87 1.59 -3.30 -0.18 4.13 -1.26 -4.69 115.26 112.42 1b96 n ASN 231 Ca -0.14 -0.35 -0.11 0.00 1.68 0.00 0.00 54.58 55.65 1b96 n ASN 231 Cb 0.57 1.01 -0.02 0.00 -1.54 0.00 0.00 39.78 39.80 1b96 n ASN 231 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1b96 s ASN 232 N -1.37 0.38 0.18 6.41 2.20 -1.26 -4.70 114.94 116.78 1b96 s ASN 232 Ca 0.00 -1.23 -0.11 0.00 -0.94 0.00 0.00 52.86 50.58 1b96 s ASN 232 Cb 0.00 0.72 0.09 0.00 -2.00 0.00 0.00 41.25 40.07 1b96 s ASN 232 CO 0.02 -1.41 1.74 -0.29 -2.94 0.00 0.00 177.10 174.22 1b96 h ILE 233 N 2.09 1.24 0.38 0.54 6.09 -1.99 -0.93 117.51 124.93 1b96 h ILE 233 Ca -0.29 -0.74 -0.00 0.00 -1.37 0.00 0.00 64.86 62.46 1b96 h ILE 233 Cb 1.25 0.52 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 1b96 h ILE 233 CO 0.38 0.29 -0.48 0.28 -3.07 0.00 0.00 178.15 175.56 1b96 h SER 234 N 0.91 -1.33 -0.96 2.19 0.02 -1.98 0.24 113.55 112.63 1b96 h SER 234 Ca 0.21 0.12 0.18 0.00 -0.84 0.00 0.00 61.79 61.46 1b96 h SER 234 Cb 0.21 0.46 -0.09 0.00 0.14 0.00 0.00 62.40 63.12 1b96 h SER 234 CO -0.02 -0.61 0.61 -0.33 -1.14 0.00 0.00 176.83 175.34 1b96 h GLU 235 N -0.89 0.65 -0.34 3.45 5.08 -1.95 0.13 114.58 120.71 1b96 h GLU 235 Ca -0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1b96 h GLU 235 Cb 0.81 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1b96 h GLU 235 CO -0.12 0.43 -0.40 -0.92 -1.00 0.00 0.00 179.01 176.99 1b96 h TYR 236 N 0.67 1.01 -0.26 4.33 5.03 -0.12 0.31 116.97 127.93 1b96 h TYR 236 Ca 0.51 -0.30 -0.08 0.00 2.58 0.00 0.00 58.73 61.44 1b96 h TYR 236 Cb 0.91 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 1b96 h TYR 236 CO -0.00 1.10 -0.18 0.00 -1.32 0.00 0.00 178.16 177.76 1b96 h ARG 237 N 0.68 0.47 -0.32 1.82 3.08 0.19 0.66 114.38 120.95 1b96 h ARG 237 Ca 0.05 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 1b96 h ARG 237 Cb 0.98 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1b96 h ARG 237 CO 0.09 0.63 -0.47 -0.91 -1.07 0.00 0.00 179.97 178.25 1b96 h ASN 238 N 0.43 0.92 -0.63 7.04 2.35 -0.70 0.20 115.58 125.18 1b96 h ASN 238 Ca 0.07 -0.46 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1b96 h ASN 238 Cb 0.56 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1b96 h ASN 238 CO 0.04 1.24 0.30 -0.25 -1.65 0.00 0.00 177.43 177.10 1b96 h TRP 239 N 0.67 0.92 0.14 1.19 7.01 -0.63 -0.05 115.95 125.20 1b96 h TRP 239 Ca 0.04 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1b96 h TRP 239 Cb 1.06 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1b96 h TRP 239 CO 0.06 0.70 -0.07 0.82 -2.79 0.00 0.00 178.44 177.17 1b96 h ILE 240 N 0.87 0.96 -0.55 2.65 1.08 -0.73 0.35 117.51 122.14 1b96 h ILE 240 Ca 0.22 -0.39 0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1b96 h ILE 240 Cb 0.13 1.20 -0.10 0.00 -3.07 0.00 0.00 36.82 34.99 1b96 h ILE 240 CO -0.03 0.09 -0.07 0.22 -0.69 0.00 0.00 178.15 177.68 1b96 h TYR 241 N -0.37 -0.16 0.00 1.37 3.20 -0.21 -1.11 116.97 119.69 1b96 h TYR 241 Ca -0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1b96 h TYR 241 Cb 0.29 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1b96 h TYR 241 CO -0.01 -0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.32 1b96 h ARG 242 N 0.05 0.00 0.00 1.82 3.08 -1.00 -3.46 114.38 114.87 1b96 h ARG 242 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1b96 h ARG 242 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1b96 h ARG 242 CO -0.52 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.79 1b96 n GLY 243 N -0.10 1.78 3.23 0.04 0.00 -0.42 -4.66 105.19 105.07 1b96 n GLY 243 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1b96 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b96 n ARG 244 N -0.28 -6.26 0.00 1.61 1.74 0.12 -5.00 116.66 108.58 1b96 n ARG 244 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1b96 n ARG 244 Cb 0.00 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 25.91 1b96 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47