#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3w s SER 15 N 0.00 6.60 0.49 -1.12 0.15 -1.26 -4.86 113.70 113.70 2x3w s SER 15 Ca 0.00 2.76 0.34 0.00 0.70 0.00 0.00 55.95 59.75 2x3w s SER 15 Cb 0.00 -2.64 1.47 0.00 -1.71 0.00 0.00 66.02 63.14 2x3w s SER 15 CO 0.00 -0.72 1.72 0.15 1.20 0.00 0.00 173.24 175.59 2x3w h PHE 16 N 4.42 0.25 0.00 3.44 3.57 -2.01 0.29 116.94 126.89 2x3w h PHE 16 Ca -0.47 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 2x3w h PHE 16 Cb 1.22 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2x3w h PHE 16 CO 0.58 -0.03 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.80 2x3w h TRP 17 N 0.10 0.00 -2.81 0.41 4.06 -1.92 -3.37 115.95 112.42 2x3w h TRP 17 Ca 0.70 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 61.08 2x3w h TRP 17 Cb 2.45 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 30.69 2x3w h TRP 17 CO -0.00 0.34 0.75 0.39 -3.56 0.00 0.00 178.44 176.35 2x3w n GLU 18 N -3.44 2.31 -1.52 0.49 -0.58 0.10 -4.85 120.64 113.14 2x3w n GLU 18 Ca 0.00 0.83 -0.55 0.00 -0.42 0.00 0.00 57.16 57.01 2x3w n GLU 18 Cb 0.51 -2.55 -0.07 0.00 -0.57 0.00 0.00 31.44 28.76 2x3w n GLU 18 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2x3w n VAL 19 N 2.34 0.25 0.00 2.62 0.31 -1.26 -1.45 118.33 121.13 2x3w n VAL 19 Ca 0.12 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2x3w n VAL 19 Cb 0.33 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2x3w n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x3w n GLY 20 N 1.85 3.17 0.00 2.92 0.00 -1.26 -4.87 105.19 106.99 2x3w n GLY 20 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 2x3w n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x3w n ASN 21 N 0.02 0.00 0.00 1.61 3.02 -0.53 -2.82 115.26 116.56 2x3w n ASN 21 Ca 0.00 -0.67 0.11 0.00 -0.03 0.00 0.00 54.58 53.99 2x3w n ASN 21 Cb 0.00 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 39.73 2x3w n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x3w n TYR 22 N -0.96 0.00 0.16 3.10 0.18 -1.26 -3.75 117.16 114.63 2x3w n TYR 22 Ca 0.14 0.00 0.16 0.00 1.88 0.00 0.00 57.90 60.08 2x3w n TYR 22 Cb 0.06 -0.33 0.74 0.00 -0.38 0.00 0.00 39.34 39.43 2x3w n TYR 22 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 2x3w h LYS 23 N 0.00 0.00 -0.44 -3.48 2.10 -1.92 -0.25 116.57 112.57 2x3w h LYS 23 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2x3w h LYS 23 Cb 0.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 2x3w h LYS 23 CO 0.00 0.00 0.29 0.00 -2.00 0.00 0.00 179.45 177.74 2x3w h ARG 24 N 0.00 0.52 0.01 0.07 3.08 -1.88 -1.64 114.38 114.53 2x3w h ARG 24 Ca 0.11 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2x3w h ARG 24 Cb 0.51 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.46 2x3w h ARG 24 CO -0.00 0.34 -0.73 1.15 -1.07 0.00 0.00 179.97 179.66 2x3w h THR 25 N 0.53 1.39 -0.71 2.04 2.02 -1.33 -2.81 112.91 114.05 2x3w h THR 25 Ca 0.17 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 65.15 2x3w h THR 25 Cb 0.04 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 2x3w h THR 25 CO -0.04 0.63 0.22 0.58 0.37 0.00 0.00 175.52 177.28 2x3w h VAL 26 N 0.01 1.26 -0.07 3.16 2.07 -1.51 -2.88 116.25 118.29 2x3w h VAL 26 Ca -0.09 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2x3w h VAL 26 Cb 1.43 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 2x3w h VAL 26 CO 0.14 0.35 -0.41 0.50 0.02 0.00 0.00 177.57 178.18 2x3w h LYS 27 N 1.04 -0.50 -1.16 1.57 1.63 -1.30 -1.26 116.57 116.59 2x3w h LYS 27 Ca 0.23 0.03 0.34 0.00 -0.85 0.00 0.00 60.65 60.40 2x3w h LYS 27 Cb 0.31 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.01 2x3w h LYS 27 CO -0.01 -0.33 0.89 -0.09 -3.45 0.00 0.00 179.45 176.46 2x3w h ARG 28 N -0.52 0.00 0.50 1.90 2.43 -1.27 -0.25 114.38 117.17 2x3w h ARG 28 Ca 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2x3w h ARG 28 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2x3w h ARG 28 CO -0.35 0.00 -0.24 0.82 -1.51 0.00 0.00 179.97 178.69 2x3w h ILE 29 N 0.00 0.50 -0.07 1.20 2.04 -1.20 -2.90 117.51 117.09 2x3w h ILE 29 Ca 0.55 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 66.22 2x3w h ILE 29 Cb 2.33 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2x3w h ILE 29 CO -0.01 0.02 -0.34 0.44 0.00 0.00 0.00 178.15 178.26 2x3w h ASP 30 N -0.73 0.14 -0.92 1.72 5.19 -1.11 -2.16 116.42 118.55 2x3w h ASP 30 Ca -0.07 -0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.39 2x3w h ASP 30 Cb 0.54 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 39.95 2x3w h ASP 30 CO 0.11 0.48 0.59 0.44 -3.12 0.00 0.00 179.24 177.74 2x3w h ASP 31 N 0.12 0.84 -0.47 6.45 3.45 -1.36 -2.56 116.42 122.88 2x3w h ASP 31 Ca 0.01 0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.53 2x3w h ASP 31 Cb 0.66 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.25 2x3w h ASP 31 CO 0.05 0.49 0.25 1.23 -1.57 0.00 0.00 179.24 179.69 2x3w h GLY 32 N 0.92 0.66 1.01 2.75 0.00 -1.18 -0.62 103.07 106.62 2x3w h GLY 32 Ca 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2x3w h GLY 32 CO -0.19 0.13 0.31 0.84 0.00 0.00 0.00 176.54 177.63 2x3w h HIS 33 N 0.51 0.98 -0.70 5.60 -0.00 -1.52 -2.12 115.15 117.89 2x3w h HIS 33 Ca 0.20 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 2x3w h HIS 33 Cb 0.08 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 2x3w h HIS 33 CO -0.09 0.75 0.20 -0.09 -0.00 0.00 0.00 177.93 178.69 2x3w h ARG 34 N 0.93 1.10 0.00 5.26 1.12 -1.14 -2.24 114.38 119.42 2x3w h ARG 34 Ca 0.23 -0.25 -0.04 0.00 -1.11 0.00 0.00 59.98 58.80 2x3w h ARG 34 Cb 0.15 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2x3w h ARG 34 CO -0.03 0.96 -0.21 -0.07 -3.11 0.00 0.00 179.97 177.52 2x3w h LEU 35 N 1.04 0.00 -0.49 3.80 4.07 -0.93 -1.51 115.31 121.29 2x3w h LEU 35 Ca 0.22 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.07 2x3w h LEU 35 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2x3w h LEU 35 CO -0.00 0.21 -0.12 0.00 -1.08 0.00 0.00 178.44 177.44 2x3w h ASN 37 N 0.79 0.66 -0.83 0.00 2.35 -0.97 -2.41 115.58 115.18 2x3w h ASN 37 Ca 0.12 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2x3w h ASN 37 Cb 0.68 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 2x3w h ASN 37 CO 0.05 0.68 0.52 0.44 -1.65 0.00 0.00 177.43 177.48 2x3w h ASP 38 N 0.61 0.84 -0.15 5.81 3.32 -1.27 -0.89 116.42 124.69 2x3w h ASP 38 Ca 0.15 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 2x3w h ASP 38 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2x3w h ASP 38 CO -0.01 0.56 -0.41 0.25 -1.72 0.00 0.00 179.24 177.91 2x3w h LEU 39 N 0.98 0.73 -0.71 1.55 5.85 -1.35 0.12 115.31 122.48 2x3w h LEU 39 Ca 0.35 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2x3w h LEU 39 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2x3w h LEU 39 CO -0.15 1.05 0.17 0.24 -0.34 0.00 0.00 178.44 179.41 2x3w h MET 40 N 0.56 1.14 -0.09 1.25 2.86 -0.91 -1.95 114.93 117.79 2x3w h MET 40 Ca 0.05 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2x3w h MET 40 Cb 0.94 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2x3w h MET 40 CO 0.09 1.00 0.03 0.77 1.06 0.00 0.00 176.91 179.86 2x3w h SER 41 N 1.07 0.13 -0.23 1.22 0.02 -0.87 -2.16 113.55 112.74 2x3w h SER 41 Ca 0.22 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2x3w h SER 41 Cb 0.38 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 2x3w h SER 41 CO 0.00 0.31 -0.21 0.00 -1.14 0.00 0.00 176.83 175.79 2x3w h VAL 43 N -0.21 1.00 -0.47 0.00 -1.51 -1.35 -2.96 116.25 110.75 2x3w h VAL 43 Ca 0.13 -1.63 -0.14 0.00 -1.23 0.00 0.00 66.70 63.84 2x3w h VAL 43 Cb 0.42 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2x3w h VAL 43 CO -0.36 0.41 -0.24 -0.61 -1.23 0.00 0.00 177.57 175.54 2x3w h GLN 44 N 0.00 0.98 -0.09 5.19 4.15 -1.01 -2.02 115.11 122.31 2x3w h GLN 44 Ca -0.00 -0.43 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 2x3w h GLN 44 Cb 0.93 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2x3w h GLN 44 CO 0.05 1.11 -0.41 0.93 -1.93 0.00 0.00 178.83 178.58 2x3w h GLU 45 N 0.84 0.20 -0.17 1.69 5.08 -1.33 -2.38 114.58 118.51 2x3w h GLU 45 Ca 0.10 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2x3w h GLU 45 Cb 0.83 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2x3w h GLU 45 CO 0.07 0.59 0.04 -0.09 -1.00 0.00 0.00 179.01 178.61 2x3w h ARG 46 N 0.17 0.28 -0.80 2.33 9.65 -1.36 -2.47 114.38 122.18 2x3w h ARG 46 Ca 0.02 -0.07 0.16 0.00 -1.10 0.00 0.00 59.98 58.98 2x3w h ARG 46 Cb 0.80 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.25 2x3w h ARG 46 CO 0.06 0.43 0.35 0.00 2.80 0.00 0.00 179.97 183.61 2x3w h ALA 47 N 0.84 1.18 -0.57 2.80 0.00 -1.11 0.30 119.26 122.69 2x3w h ALA 47 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2x3w h ALA 47 Cb 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2x3w h ALA 47 CO 0.00 -0.20 0.10 -0.22 0.00 0.00 0.00 179.25 178.93 2x3w h LYS 48 N 0.48 0.94 -0.47 0.00 3.64 -1.22 -0.41 116.57 119.53 2x3w h LYS 48 Ca 0.45 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2x3w h LYS 48 Cb 0.71 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2x3w h LYS 48 CO -0.42 0.90 0.21 0.82 -2.27 0.00 0.00 179.45 178.68 2x3w h ILE 49 N 0.84 1.20 -0.91 2.00 2.04 -0.90 -0.99 117.51 120.79 2x3w h ILE 49 Ca 0.18 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2x3w h ILE 49 Cb 0.40 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2x3w h ILE 49 CO 0.01 0.22 0.52 -0.08 0.00 0.00 0.00 178.15 178.83 2x3w h GLU 50 N 0.62 1.25 -0.16 2.37 4.57 -0.66 -2.32 114.58 120.24 2x3w h GLU 50 Ca 0.16 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 2x3w h GLU 50 Cb 0.16 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2x3w h GLU 50 CO -0.02 0.89 -0.37 -0.22 -1.18 0.00 0.00 179.01 178.12 2x3w h LYS 51 N 1.26 0.34 -0.15 1.92 3.64 -0.85 -2.95 116.57 119.78 2x3w h LYS 51 Ca 0.32 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2x3w h LYS 51 Cb -0.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2x3w h LYS 51 CO -0.06 0.67 -0.00 0.00 -2.27 0.00 0.00 179.45 177.79 2x3w h ALA 52 N 1.32 0.21 -0.48 5.00 0.00 -0.64 -1.60 119.26 123.06 2x3w h ALA 52 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2x3w h ALA 52 Cb 0.79 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2x3w h ALA 52 CO 0.06 -0.09 0.10 -0.92 0.00 0.00 0.00 179.25 178.40 2x3w h TYR 53 N 0.01 0.15 -0.40 0.00 -0.00 -1.52 -0.29 116.97 114.92 2x3w h TYR 53 Ca 0.04 0.03 0.03 0.00 -0.00 0.00 0.00 58.73 58.83 2x3w h TYR 53 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.08 2x3w h TYR 53 CO 0.03 -0.00 0.21 0.00 -0.00 0.00 0.00 178.16 178.40 2x3w h ALA 54 N 1.37 0.50 0.00 1.82 0.00 -1.33 -0.55 119.26 121.08 2x3w h ALA 54 Ca 0.24 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2x3w h ALA 54 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2x3w h ALA 54 CO -0.31 -0.14 -0.31 0.37 0.00 0.00 0.00 179.25 178.85 2x3w h GLN 55 N 0.43 0.00 -0.34 0.00 5.75 -0.70 -1.35 115.11 118.89 2x3w h GLN 55 Ca 0.17 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.50 2x3w h GLN 55 Cb 0.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 2x3w h GLN 55 CO -0.11 0.31 -0.46 1.96 -2.65 0.00 0.00 178.83 177.89 2x3w h GLN 56 N 0.00 0.92 -0.20 1.69 1.08 -0.34 -2.73 115.11 115.53 2x3w h GLN 56 Ca -0.00 -0.53 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 2x3w h GLN 56 Cb 0.89 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2x3w h GLN 56 CO 0.04 1.18 0.09 -0.07 -0.95 0.00 0.00 178.83 179.11 2x3w h LEU 57 N 0.73 0.28 -1.19 1.46 3.38 -0.64 -1.94 115.31 117.38 2x3w h LEU 57 Ca 0.04 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2x3w h LEU 57 Cb 1.06 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2x3w h LEU 57 CO 0.11 0.35 0.56 0.74 0.09 0.00 0.00 178.44 180.30 2x3w h THR 58 N 0.18 1.10 -0.20 0.22 2.02 -1.28 -1.68 112.91 113.28 2x3w h THR 58 Ca 0.07 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 2x3w h THR 58 Cb 0.16 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2x3w h THR 58 CO -0.01 0.19 -0.21 0.44 0.37 0.00 0.00 175.52 176.30 2x3w h ASP 59 N 1.02 0.52 -0.21 4.18 3.32 -1.29 -2.23 116.42 121.73 2x3w h ASP 59 Ca 0.36 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.96 2x3w h ASP 59 Cb 0.11 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2x3w h ASP 59 CO -0.12 0.90 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.04 2x3w h TRP 60 N 0.15 -0.04 -0.02 4.55 7.01 -1.01 -0.47 115.95 126.13 2x3w h TRP 60 Ca 0.03 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2x3w h TRP 60 Cb 0.76 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 2x3w h TRP 60 CO 0.08 -0.05 -0.01 0.00 -2.79 0.00 0.00 178.44 175.67 2x3w h ALA 61 N 1.19 0.01 -0.71 2.65 0.00 -1.34 -1.42 119.26 119.63 2x3w h ALA 61 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2x3w h ALA 61 Cb 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2x3w h ALA 61 CO -0.18 -0.50 0.37 -0.22 0.00 0.00 0.00 179.25 178.72 2x3w h LYS 62 N -0.01 1.00 0.75 0.00 3.64 -1.18 0.15 116.57 120.92 2x3w h LYS 62 Ca 0.01 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2x3w h LYS 62 Cb 0.03 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2x3w h LYS 62 CO -0.03 0.75 -0.36 -0.09 -2.27 0.00 0.00 179.45 177.45 2x3w h ARG 63 N 1.00 -0.97 0.00 1.90 2.43 -0.80 -3.21 114.38 114.73 2x3w h ARG 63 Ca 0.25 0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2x3w h ARG 63 Cb 0.06 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2x3w h ARG 63 CO -0.04 -0.63 -0.22 -1.49 -1.51 0.00 0.00 179.97 176.09 2x3w h TRP 64 N -1.19 0.00 -0.42 2.20 4.06 -1.07 -2.40 115.95 117.14 2x3w h TRP 64 Ca -0.10 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.87 2x3w h TRP 64 Cb 0.79 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.92 2x3w h TRP 64 CO -0.00 0.22 0.22 -0.09 -3.56 0.00 0.00 178.44 175.23 2x3w h ARG 65 N 0.00 0.44 -0.22 0.49 2.43 -1.03 -0.06 114.38 116.43 2x3w h ARG 65 Ca -0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2x3w h ARG 65 Cb 0.80 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2x3w h ARG 65 CO 0.03 0.29 -0.11 1.96 -1.51 0.00 0.00 179.97 180.63 2x3w h GLN 66 N 0.45 0.46 -0.09 0.20 1.08 -1.48 -0.52 115.11 115.22 2x3w h GLN 66 Ca 0.17 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2x3w h GLN 66 Cb 0.06 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 2x3w h GLN 66 CO -0.11 0.75 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.21 2x3w h LEU 67 N 0.17 -0.73 0.65 1.46 4.07 -1.28 -1.21 115.31 118.43 2x3w h LEU 67 Ca 0.05 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 2x3w h LEU 67 Cb 0.61 0.32 0.01 0.00 1.08 0.00 0.00 40.66 42.67 2x3w h LEU 67 CO 0.03 -0.30 -0.31 0.40 -1.08 0.00 0.00 178.44 177.18 2x3w h ILE 68 N -0.33 0.00 0.00 1.22 2.04 -0.99 -3.03 117.51 116.42 2x3w h ILE 68 Ca 0.09 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2x3w h ILE 68 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2x3w h ILE 68 CO -0.28 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 177.73 2x3w h GLU 69 N -0.88 0.00 -0.99 2.37 5.08 -1.11 0.18 114.58 119.24 2x3w h GLU 69 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2x3w h GLU 69 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2x3w h GLU 69 CO 0.15 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.33 2x3w n LYS 70 N -2.38 0.99 -0.60 2.33 0.00 -0.46 -4.99 118.16 113.05 2x3w n LYS 70 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.38 2x3w n LYS 70 Cb 0.22 -1.48 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 2x3w n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2x3w n GLY 71 N 0.02 -1.27 0.24 3.14 0.00 0.64 -4.90 105.19 103.06 2x3w n GLY 71 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.14 2x3w n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x3w n PRO 72 N -2.84 1.33 -1.64 1.61 -0.04 -1.26 -4.79 135.00 127.37 2x3w n PRO 72 Ca 0.00 -0.49 -0.37 0.00 -0.04 0.00 0.00 63.50 62.61 2x3w n PRO 72 Cb 0.27 -1.40 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2x3w n PRO 72 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2x3w n GLN 73 N -0.35 0.97 -3.96 0.54 -0.06 -1.26 -5.02 117.38 108.25 2x3w n GLN 73 Ca 0.18 0.39 -0.09 0.00 -2.00 0.00 0.00 57.00 55.47 2x3w n GLN 73 Cb 0.20 -2.49 -0.06 0.00 -4.06 0.00 0.00 30.24 23.84 2x3w n GLN 73 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 2x3w s TYR 74 N -1.49 0.35 0.00 3.69 -0.85 -1.26 -4.91 117.35 112.88 2x3w s TYR 74 Ca 0.81 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 2x3w s TYR 74 Cb -0.37 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.05 2x3w s TYR 74 CO 0.42 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 174.00 2x3w n GLY 75 N -0.31 0.93 0.00 5.49 0.00 -1.26 -3.20 105.19 106.84 2x3w n GLY 75 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2x3w n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x3w n SER 76 N -3.42 0.00 -0.26 1.61 7.64 -1.26 -1.97 113.62 115.96 2x3w n SER 76 Ca 0.00 0.66 0.06 0.00 1.01 0.00 0.00 58.87 60.60 2x3w n SER 76 Cb 0.00 -0.28 0.29 0.00 -1.01 0.00 0.00 64.21 63.21 2x3w n SER 76 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2x3w h LEU 77 N 0.00 0.80 -0.42 -3.43 -0.00 -1.92 0.29 115.31 110.63 2x3w h LEU 77 Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.98 2x3w h LEU 77 Cb 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.41 2x3w h LEU 77 CO 0.00 0.51 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.64 2x3w h GLU 78 N 0.91 -0.15 0.00 1.13 4.81 -1.36 0.32 114.58 120.25 2x3w h GLU 78 Ca 0.37 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.48 2x3w h GLU 78 Cb 0.27 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2x3w h GLU 78 CO -0.14 -0.10 -0.61 0.00 -0.73 0.00 0.00 179.01 177.44 2x3w h ARG 79 N -0.15 0.00 0.44 1.92 3.08 -0.79 0.28 114.38 119.16 2x3w h ARG 79 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2x3w h ARG 79 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2x3w h ARG 79 CO -0.51 0.61 -0.21 0.00 -1.07 0.00 0.00 179.97 178.78 2x3w h ALA 80 N 1.39 -0.60 -0.28 0.04 0.00 -0.44 -1.49 119.26 117.89 2x3w h ALA 80 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2x3w h ALA 80 Cb 1.25 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 2x3w h ALA 80 CO 0.08 -0.75 -0.12 2.35 0.00 0.00 0.00 179.25 180.81 2x3w h TRP 81 N -0.77 -0.28 -0.24 0.00 7.01 -0.32 -1.09 115.95 120.26 2x3w h TRP 81 Ca -0.06 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.04 2x3w h TRP 81 Cb 0.54 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2x3w h TRP 81 CO -0.01 -0.18 0.21 0.78 -2.79 0.00 0.00 178.44 176.45 2x3w h GLY 82 N -0.07 0.00 1.96 2.65 0.00 -0.43 -1.67 103.07 105.51 2x3w h GLY 82 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2x3w h GLY 82 CO -0.33 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.21 2x3w n ALA 83 N -2.44 1.49 -0.01 3.60 0.00 -0.41 -1.92 120.51 120.81 2x3w n ALA 83 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2x3w n ALA 83 Cb 0.36 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2x3w n ALA 83 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2x3w h MET 84 N 0.00 0.00 0.00 0.00 -1.53 -1.40 -2.99 114.93 109.02 2x3w h MET 84 Ca 0.00 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.19 2x3w h MET 84 Cb 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2x3w h MET 84 CO 0.00 0.52 -0.34 0.52 0.14 0.00 0.00 176.91 177.74 2x3w h MET 85 N 0.00 0.00 -0.30 0.39 2.86 -1.53 -2.55 114.93 113.80 2x3w h MET 85 Ca -0.24 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.25 2x3w h MET 85 Cb 1.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 2x3w h MET 85 CO 0.08 0.34 -0.40 1.15 1.06 0.00 0.00 176.91 179.14 2x3w h THR 86 N 0.00 1.29 -0.33 2.22 2.02 -1.53 -1.56 112.91 115.01 2x3w h THR 86 Ca -0.00 -1.58 -0.10 0.00 0.77 0.00 0.00 66.41 65.50 2x3w h THR 86 Cb 0.64 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2x3w h THR 86 CO 0.04 0.51 -0.20 1.05 0.37 0.00 0.00 175.52 177.29 2x3w h GLU 87 N 0.59 0.63 -0.23 6.66 -0.00 -1.36 -1.93 114.58 118.94 2x3w h GLU 87 Ca 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 59.36 59.16 2x3w h GLU 87 Cb 0.95 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.65 2x3w h GLU 87 CO 0.09 0.80 0.10 0.00 -0.00 0.00 0.00 179.01 179.99 2x3w h ALA 88 N 1.22 0.30 -0.78 1.06 0.00 -1.31 0.00 119.26 119.75 2x3w h ALA 88 Ca 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2x3w h ALA 88 Cb 0.66 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2x3w h ALA 88 CO 0.05 -0.11 0.42 -0.44 0.00 0.00 0.00 179.25 179.17 2x3w h ASP 89 N 0.23 0.58 0.05 0.00 3.45 -1.14 -1.48 116.42 118.11 2x3w h ASP 89 Ca 0.08 0.06 -0.15 0.00 0.43 0.00 0.00 57.03 57.44 2x3w h ASP 89 Cb 0.16 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 2x3w h ASP 89 CO -0.01 0.33 -0.63 0.11 -1.57 0.00 0.00 179.24 177.46 2x3w h LYS 90 N 0.70 0.34 -0.94 3.56 1.57 -1.08 -2.40 116.57 118.32 2x3w h LYS 90 Ca 0.38 -0.43 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2x3w h LYS 90 Cb 0.38 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 2x3w h LYS 90 CO -0.26 1.14 0.61 0.28 -0.57 0.00 0.00 179.45 180.64 2x3w h VAL 91 N -0.25 1.03 -0.46 0.50 2.07 -1.02 -2.17 116.25 115.95 2x3w h VAL 91 Ca -0.09 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2x3w h VAL 91 Cb 1.40 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2x3w h VAL 91 CO 0.12 0.19 0.17 -1.28 0.02 0.00 0.00 177.57 176.79 2x3w h SER 92 N 1.03 0.61 -0.12 0.57 0.87 -1.15 -2.13 113.55 113.23 2x3w h SER 92 Ca 0.42 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.76 2x3w h SER 92 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2x3w h SER 92 CO -0.18 0.56 -0.45 -0.08 -0.53 0.00 0.00 176.83 176.16 2x3w h GLU 93 N 0.66 0.67 -0.46 2.24 4.22 -0.88 -2.04 114.58 119.00 2x3w h GLU 93 Ca 0.16 -0.37 -0.02 0.00 0.08 0.00 0.00 59.36 59.22 2x3w h GLU 93 Cb 0.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2x3w h GLU 93 CO -0.01 0.98 0.22 -0.07 -2.18 0.00 0.00 179.01 177.95 2x3w h LEU 94 N 0.54 0.60 -1.06 1.64 3.38 -1.07 -0.12 115.31 119.22 2x3w h LEU 94 Ca 0.04 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2x3w h LEU 94 Cb 0.99 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2x3w h LEU 94 CO 0.09 0.55 -0.35 0.45 0.09 0.00 0.00 178.44 179.27 2x3w h HIS 95 N 0.59 0.25 -0.29 1.13 3.86 -1.30 -0.60 115.15 118.78 2x3w h HIS 95 Ca 0.16 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 2x3w h HIS 95 Cb 0.11 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2x3w h HIS 95 CO -0.01 0.55 -0.11 1.96 0.86 0.00 0.00 177.93 181.17 2x3w h GLN 96 N 0.19 0.49 -0.20 2.45 1.08 -0.96 -1.84 115.11 116.32 2x3w h GLN 96 Ca 0.02 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 56.93 2x3w h GLN 96 Cb 0.71 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2x3w h GLN 96 CO 0.05 0.61 -0.53 0.93 -0.95 0.00 0.00 178.83 178.94 2x3w h GLU 97 N 0.46 0.58 -0.40 1.46 5.08 0.11 -1.51 114.58 120.36 2x3w h GLU 97 Ca 0.09 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2x3w h GLU 97 Cb 0.48 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2x3w h GLU 97 CO 0.03 0.97 0.18 0.28 -1.00 0.00 0.00 179.01 179.46 2x3w h VAL 98 N 0.45 1.19 -0.03 3.13 2.07 -0.98 -2.06 116.25 120.02 2x3w h VAL 98 Ca 0.01 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2x3w h VAL 98 Cb 1.08 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2x3w h VAL 98 CO 0.10 0.20 -0.25 0.50 0.02 0.00 0.00 177.57 178.14 2x3w h LYS 99 N 0.51 -0.36 -0.98 1.57 3.64 -1.11 -0.32 116.57 119.51 2x3w h LYS 99 Ca 0.14 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 2x3w h LYS 99 Cb 0.16 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 2x3w h LYS 99 CO -0.01 -0.24 0.62 -0.91 -2.27 0.00 0.00 179.45 176.63 2x3w h ASN 100 N -0.37 0.85 -0.38 4.20 2.35 -1.07 -0.28 115.58 120.88 2x3w h ASN 100 Ca 0.07 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 2x3w h ASN 100 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2x3w h ASN 100 CO -0.24 0.43 -0.26 0.28 -1.65 0.00 0.00 177.43 175.98 2x3w h SER 101 N 0.90 0.88 -0.69 5.81 0.02 -0.87 0.13 113.55 119.72 2x3w h SER 101 Ca 0.50 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2x3w h SER 101 Cb 0.60 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2x3w h SER 101 CO -0.27 1.13 0.32 -0.07 -1.14 0.00 0.00 176.83 176.80 2x3w h LEU 102 N 0.64 0.93 0.07 5.07 4.07 0.63 -0.56 115.31 126.16 2x3w h LEU 102 Ca 0.07 -0.11 -0.24 0.00 0.08 0.00 0.00 57.88 57.69 2x3w h LEU 102 Cb 0.83 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2x3w h LEU 102 CO 0.07 0.80 -1.24 -0.07 -1.08 0.00 0.00 178.44 176.92 2x3w h LEU 103 N 1.02 0.23 0.00 1.67 3.38 -1.25 -1.40 115.31 118.95 2x3w h LEU 103 Ca 0.24 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2x3w h LEU 103 Cb 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2x3w h LEU 103 CO -0.03 1.53 -0.74 -1.13 0.09 0.00 0.00 178.44 178.16 2x3w h ASN 104 N -0.56 0.00 0.00 -0.43 -0.00 -0.72 -3.06 115.58 110.81 2x3w h ASN 104 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 2x3w h ASN 104 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.88 2x3w h ASN 104 CO -0.02 0.07 -0.38 -0.62 -0.00 0.00 0.00 177.43 176.48 2x3w n GLU 105 N -2.83 0.20 0.40 6.67 1.02 -0.26 -4.62 120.64 121.21 2x3w n GLU 105 Ca 0.00 0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 2x3w n GLU 105 Cb 0.58 -0.78 -0.08 0.00 -0.02 0.00 0.00 31.44 31.14 2x3w n GLU 105 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2x3w h ASP 106 N -0.38 -0.87 0.04 1.62 3.32 -1.49 -0.61 116.42 118.05 2x3w h ASP 106 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2x3w h ASP 106 Cb 0.38 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2x3w h ASP 106 CO 0.00 -0.57 -0.24 0.25 -1.72 0.00 0.00 179.24 176.96 2x3w h LEU 107 N -1.15 -0.70 -0.88 1.55 6.46 -1.33 -2.32 115.31 116.94 2x3w h LEU 107 Ca -0.11 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 2x3w h LEU 107 Cb 0.79 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 2x3w h LEU 107 CO 0.17 -0.32 0.54 -0.33 -0.62 0.00 0.00 178.44 177.89 2x3w h GLU 108 N -0.40 0.94 -0.27 1.25 4.39 -1.57 -1.94 114.58 116.98 2x3w h GLU 108 Ca 0.05 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2x3w h GLU 108 Cb 0.46 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2x3w h GLU 108 CO -0.19 0.62 0.16 -0.22 -1.16 0.00 0.00 179.01 178.23 2x3w h LYS 109 N 0.97 0.32 -0.40 2.33 3.64 -0.69 -0.28 116.57 122.46 2x3w h LYS 109 Ca 0.39 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2x3w h LYS 109 Cb 0.22 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2x3w h LYS 109 CO -0.19 0.21 0.24 0.28 -2.27 0.00 0.00 179.45 177.72 2x3w h VAL 110 N 0.33 1.12 0.00 2.00 2.07 -0.92 -2.27 116.25 118.59 2x3w h VAL 110 Ca 0.10 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2x3w h VAL 110 Cb -0.01 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2x3w h VAL 110 CO -0.04 0.12 -0.44 0.50 0.02 0.00 0.00 177.57 177.73 2x3w h LYS 111 N 0.55 0.29 -0.62 1.57 3.64 -0.55 -1.98 116.57 119.47 2x3w h LYS 111 Ca 0.14 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2x3w h LYS 111 Cb -0.02 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2x3w h LYS 111 CO -0.03 1.03 0.35 -0.91 -2.27 0.00 0.00 179.45 177.62 2x3w h ASN 112 N -0.31 0.76 -0.61 4.20 2.35 -1.07 0.01 115.58 120.91 2x3w h ASN 112 Ca -0.06 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2x3w h ASN 112 Cb 1.18 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.32 2x3w h ASN 112 CO 0.09 0.62 0.35 -0.25 -1.65 0.00 0.00 177.43 176.59 2x3w h TRP 113 N 0.84 0.65 -0.48 1.19 7.01 -1.43 -1.72 115.95 122.01 2x3w h TRP 113 Ca 0.22 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.18 2x3w h TRP 113 Cb 0.01 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 2x3w h TRP 113 CO -0.01 0.34 0.05 0.37 -2.79 0.00 0.00 178.44 176.40 2x3w h GLN 114 N 0.67 0.81 0.00 2.65 4.15 -0.92 -0.77 115.11 121.70 2x3w h GLN 114 Ca 0.26 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 2x3w h GLN 114 Cb 0.11 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2x3w h GLN 114 CO -0.14 0.83 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.22 2x3w h LYS 115 N 0.67 0.00 0.07 1.69 3.64 -0.62 -1.89 116.57 120.13 2x3w h LYS 115 Ca 0.14 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.24 2x3w h LYS 115 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2x3w h LYS 115 CO 0.01 0.14 -1.42 -0.44 -2.27 0.00 0.00 179.45 175.48 2x3w h ASP 116 N 0.00 0.22 0.13 4.20 3.45 -0.72 -3.38 116.42 120.32 2x3w h ASP 116 Ca -0.00 -0.30 -0.19 0.00 0.43 0.00 0.00 57.03 56.96 2x3w h ASP 116 Cb 0.28 -0.07 0.02 0.00 -0.56 0.00 0.00 39.33 39.00 2x3w h ASP 116 CO 0.02 1.25 -0.88 0.00 -1.57 0.00 0.00 179.24 178.06 2x3w h ALA 117 N 0.72 -0.05 -3.33 3.45 0.00 -0.89 -3.46 119.26 115.70 2x3w h ALA 117 Ca -0.19 -0.75 -0.66 0.00 0.00 0.00 0.00 54.91 53.31 2x3w h ALA 117 Cb 1.95 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.77 2x3w h ALA 117 CO 0.14 0.43 -0.64 0.71 0.00 0.00 0.00 179.25 179.89 2x3w s TYR 118 N -2.43 3.09 -0.12 0.00 2.02 -0.73 -4.95 117.35 114.22 2x3w s TYR 118 Ca -0.15 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 2x3w s TYR 118 Cb 0.01 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 2x3w s TYR 118 CO 0.82 0.48 -0.07 -1.01 -1.57 0.00 0.00 175.55 174.20 2x3w s HIS 119 N -1.15 1.47 0.05 2.71 3.76 -1.26 -4.69 115.29 116.17 2x3w s HIS 119 Ca 0.22 -0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 54.06 2x3w s HIS 119 Cb -0.12 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2x3w s HIS 119 CO 0.13 -0.52 1.00 0.15 -0.85 0.00 0.00 174.74 174.65 2x3w s LYS 120 N 1.71 4.59 0.00 1.40 -0.14 -1.26 -1.43 119.74 124.62 2x3w s LYS 120 Ca 0.04 1.48 -0.15 0.00 -1.36 0.00 0.00 55.97 55.98 2x3w s LYS 120 Cb -0.13 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.55 2x3w s LYS 120 CO -0.08 0.02 0.42 -0.65 -0.76 0.00 0.00 175.35 174.30 2x3w s GLN 121 N 0.63 3.95 0.17 1.68 -0.21 -0.91 -4.92 119.66 120.04 2x3w s GLN 121 Ca 0.51 0.43 -0.21 0.00 0.02 0.00 0.00 55.36 56.11 2x3w s GLN 121 Cb -0.23 -3.23 0.08 0.00 1.00 0.00 0.00 33.01 30.63 2x3w s GLN 121 CO 0.29 0.67 1.62 0.82 -2.12 0.00 0.00 175.29 176.57 2x3w h ILE 122 N 3.73 0.32 -0.70 1.08 2.04 -1.96 -2.63 117.51 119.39 2x3w h ILE 122 Ca -0.51 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 64.89 2x3w h ILE 122 Cb 1.22 0.32 -0.28 0.00 -0.74 0.00 0.00 36.82 37.34 2x3w h ILE 122 CO 0.62 0.00 -0.03 0.23 0.00 0.00 0.00 178.15 178.97 2x3w n MET 123 N -5.40 2.69 0.00 2.37 2.81 -1.26 -5.02 117.12 113.31 2x3w n MET 123 Ca 0.02 -3.54 0.00 0.00 -1.81 0.00 0.00 57.70 52.36 2x3w n MET 123 Cb 0.31 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 2x3w n MET 123 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x3w n GLY 124 N -0.93 3.63 0.00 3.03 0.00 -0.99 -5.17 105.19 104.76 2x3w n GLY 124 Ca 0.47 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2x3w n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3w n GLY 125 N 0.00 0.73 3.42 -0.02 0.00 -1.26 -4.49 105.19 103.57 2x3w n GLY 125 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2x3w n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x3w s PHE 126 N 1.33 2.96 0.24 1.61 0.40 -1.26 -2.15 117.98 121.11 2x3w s PHE 126 Ca 0.00 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.76 2x3w s PHE 126 Cb 0.00 -1.99 0.51 0.00 0.51 0.00 0.00 43.02 42.05 2x3w s PHE 126 CO 0.00 -0.23 1.23 1.63 0.70 0.00 0.00 175.22 178.55 2x3w n LYS 127 N 3.96 -0.07 0.25 0.44 5.02 -0.51 0.11 118.16 127.36 2x3w n LYS 127 Ca -0.18 1.20 0.08 0.00 -2.02 0.00 0.00 58.31 57.39 2x3w n LYS 127 Cb 0.52 -1.86 0.63 0.00 -0.02 0.00 0.00 35.03 34.30 2x3w n LYS 127 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2x3w h GLU 128 N 0.00 0.03 0.05 1.97 3.07 -1.93 -0.32 114.58 117.45 2x3w h GLU 128 Ca 0.44 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.06 2x3w h GLU 128 Cb 0.83 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2x3w h GLU 128 CO -0.77 0.02 -1.03 1.15 -1.40 0.00 0.00 179.01 176.98 2x3w h THR 129 N 0.03 1.48 -0.10 1.13 2.02 0.41 -3.05 112.91 114.83 2x3w h THR 129 Ca 0.01 -2.78 -0.16 0.00 0.77 0.00 0.00 66.41 64.25 2x3w h THR 129 Cb -0.00 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2x3w h THR 129 CO -0.00 0.81 -0.61 0.50 0.37 0.00 0.00 175.52 176.59 2x3w h LYS 130 N 0.12 0.35 -0.29 6.66 3.64 -0.63 -2.42 116.57 124.00 2x3w h LYS 130 Ca -0.08 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 58.89 2x3w h LYS 130 Cb 1.71 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.56 2x3w h LYS 130 CO 0.17 0.85 -0.48 0.93 -2.27 0.00 0.00 179.45 178.65 2x3w h GLU 131 N 0.26 0.79 0.15 1.90 5.08 -1.19 -1.69 114.58 119.87 2x3w h GLU 131 Ca -0.01 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2x3w h GLU 131 Cb 1.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2x3w h GLU 131 CO 0.10 1.09 -0.07 0.00 -1.00 0.00 0.00 179.01 179.12 2x3w h ALA 132 N 0.83 -0.21 -0.14 3.43 0.00 -1.51 -2.25 119.26 119.42 2x3w h ALA 132 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2x3w h ALA 132 Cb 1.05 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2x3w h ALA 132 CO 0.10 -0.56 -0.34 0.93 0.00 0.00 0.00 179.25 179.38 2x3w h GLU 133 N -0.32 -0.40 -0.33 0.00 4.39 -1.43 -2.33 114.58 114.16 2x3w h GLU 133 Ca -0.02 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2x3w h GLU 133 Cb 0.25 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 2x3w h GLU 133 CO 0.03 -0.27 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.01 2x3w h ASP 134 N -0.42 -0.55 0.00 1.42 3.45 -1.29 -1.01 116.42 118.02 2x3w h ASP 134 Ca 0.09 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.68 2x3w h ASP 134 Cb 0.57 0.30 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 2x3w h ASP 134 CO -0.37 -0.20 0.00 0.61 -1.57 0.00 0.00 179.24 177.71 2x3w n GLY 135 N -1.34 -2.85 0.32 2.75 0.00 -0.85 -0.32 105.19 102.90 2x3w n GLY 135 Ca 0.01 0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.45 2x3w n GLY 135 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2x3w h PHE 136 N 0.00 -0.11 0.70 1.61 -1.00 -1.26 0.47 116.94 117.35 2x3w h PHE 136 Ca 0.00 0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 2x3w h PHE 136 Cb 0.00 0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2x3w h PHE 136 CO -0.37 -0.35 -0.48 -0.09 -1.61 0.00 0.00 178.31 175.41 2x3w h ARG 137 N 0.05 -1.08 -0.70 1.51 2.43 -0.74 0.39 114.38 116.24 2x3w h ARG 137 Ca 0.51 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.90 2x3w h ARG 137 Cb 0.96 0.25 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 2x3w h ARG 137 CO -0.83 -0.72 -0.10 -0.22 -1.51 0.00 0.00 179.97 176.59 2x3w h LYS 138 N -1.12 0.04 0.00 0.20 3.64 0.59 0.38 116.57 120.30 2x3w h LYS 138 Ca -0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2x3w h LYS 138 Cb 0.91 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2x3w h LYS 138 CO 0.06 0.03 -0.11 0.00 -2.27 0.00 0.00 179.45 177.16 2x3w h ALA 139 N 1.68 1.33 0.00 5.00 0.00 -0.63 -2.81 119.26 123.82 2x3w h ALA 139 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x3w h ALA 139 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2x3w h ALA 139 CO -0.67 0.14 -0.98 0.94 0.00 0.00 0.00 179.25 178.67 2x3w n GLN 140 N -3.69 0.65 -0.02 0.00 7.27 0.70 -4.72 117.38 117.57 2x3w n GLN 140 Ca -0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 57.00 56.99 2x3w n GLN 140 Cb 0.22 -1.41 -0.03 0.00 2.41 0.00 0.00 30.24 31.43 2x3w n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2x3w h LYS 141 N 0.00 -0.16 -0.07 3.69 1.63 -0.14 -2.28 116.57 119.24 2x3w h LYS 141 Ca 0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2x3w h LYS 141 Cb 0.49 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2x3w h LYS 141 CO 0.00 -0.10 0.04 -1.35 -3.45 0.00 0.00 179.45 174.58 2x3w h PRO 142 N -0.16 0.11 -0.72 1.90 0.11 -1.84 -3.09 132.00 128.30 2x3w h PRO 142 Ca 0.02 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.27 2x3w h PRO 142 Cb 0.21 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 31.17 2x3w h PRO 142 CO -0.16 0.19 -0.03 2.35 -0.21 0.00 0.00 178.00 180.14 2x3w h TRP 143 N -0.00 -0.11 0.00 0.65 2.91 -1.79 0.96 115.95 118.57 2x3w h TRP 143 Ca 0.03 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 2x3w h TRP 143 Cb 0.12 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 2x3w h TRP 143 CO -0.03 -0.24 -0.03 0.00 -1.03 0.00 0.00 178.44 177.11 2x3w h ALA 144 N 1.68 1.05 -0.19 2.65 0.00 -1.39 -1.87 119.26 121.18 2x3w h ALA 144 Ca 0.38 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 2x3w h ALA 144 Cb 0.64 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2x3w h ALA 144 CO -0.65 0.04 -0.62 -0.22 0.00 0.00 0.00 179.25 177.81 2x3w h LYS 145 N 0.00 0.76 0.00 0.00 3.64 0.10 -3.08 116.57 117.99 2x3w h LYS 145 Ca -0.00 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 2x3w h LYS 145 Cb 0.33 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2x3w h LYS 145 CO 0.00 1.18 -0.20 0.87 -2.27 0.00 0.00 179.45 179.03 2x3w h LYS 146 N 0.48 0.00 0.00 1.90 6.56 -0.88 -3.18 116.57 121.45 2x3w h LYS 146 Ca -0.02 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.50 2x3w h LYS 146 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 2x3w h LYS 146 CO 0.13 0.20 -0.34 0.52 -2.06 0.00 0.00 179.45 177.90 2x3w h MET 147 N 0.00 0.00 -0.15 3.15 2.86 -1.31 -0.41 114.93 119.07 2x3w h MET 147 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2x3w h MET 147 Cb 0.85 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.51 2x3w h MET 147 CO 0.03 0.34 -0.59 -0.22 1.06 0.00 0.00 176.91 177.53 2x3w h LYS 148 N 0.00 0.67 -0.05 1.72 1.63 -1.52 -2.88 116.57 116.14 2x3w h LYS 148 Ca -0.00 -0.52 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 2x3w h LYS 148 Cb 1.14 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2x3w h LYS 148 CO 0.04 1.13 -0.05 0.93 -3.45 0.00 0.00 179.45 178.05 2x3w h GLU 149 N 0.35 0.13 -1.00 1.90 3.07 -1.60 -2.99 114.58 114.43 2x3w h GLU 149 Ca -0.03 -0.07 0.20 0.00 -0.50 0.00 0.00 59.36 58.97 2x3w h GLU 149 Cb 1.22 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.02 2x3w h GLU 149 CO 0.12 0.59 0.61 1.25 -1.40 0.00 0.00 179.01 180.18 2x3w h LEU 150 N -0.32 0.74 -0.37 1.33 7.12 -1.14 -0.63 115.31 122.02 2x3w h LEU 150 Ca 0.01 0.10 -0.15 0.00 0.13 0.00 0.00 57.88 57.97 2x3w h LEU 150 Cb 0.56 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 2x3w h LEU 150 CO 0.01 0.23 -0.37 -0.08 -0.13 0.00 0.00 178.44 178.10 2x3w h GLU 151 N 0.70 0.91 -0.32 1.25 4.81 -1.51 -2.77 114.58 117.65 2x3w h GLU 151 Ca 0.59 -0.48 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 2x3w h GLU 151 Cb 1.00 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2x3w h GLU 151 CO -0.39 1.13 -0.50 0.00 -0.73 0.00 0.00 179.01 178.52 2x3w h ALA 152 N 0.76 0.49 0.00 2.92 0.00 -1.10 -2.49 119.26 119.84 2x3w h ALA 152 Ca 0.06 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2x3w h ALA 152 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2x3w h ALA 152 CO 0.09 0.68 -0.33 0.00 0.00 0.00 0.00 179.25 179.69 2x3w h ALA 153 N 0.71 1.21 0.00 0.00 0.00 -1.23 -2.72 119.26 117.23 2x3w h ALA 153 Ca 0.03 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2x3w h ALA 153 Cb 1.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x3w h ALA 153 CO 0.11 0.42 -0.86 -0.22 0.00 0.00 0.00 179.25 178.70 2x3w h LYS 154 N 0.00 0.18 -0.10 0.00 3.11 -1.33 -3.20 116.57 115.23 2x3w h LYS 154 Ca -0.00 -0.19 -0.05 0.00 -2.81 0.00 0.00 60.65 57.59 2x3w h LYS 154 Cb 0.70 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 2x3w h LYS 154 CO 0.04 0.93 -0.14 0.87 -2.81 0.00 0.00 179.45 178.35 2x3w h LYS 155 N 0.10 0.26 -0.60 1.90 1.57 -1.20 -2.51 116.57 116.10 2x3w h LYS 155 Ca -0.04 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2x3w h LYS 155 Cb 1.49 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 2x3w h LYS 155 CO 0.13 0.72 0.30 0.00 -0.57 0.00 0.00 179.45 180.03 2x3w h ALA 156 N 0.54 0.78 -0.50 3.86 0.00 -1.59 0.38 119.26 122.73 2x3w h ALA 156 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2x3w h ALA 156 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2x3w h ALA 156 CO 0.03 -0.06 0.25 -0.92 0.00 0.00 0.00 179.25 178.56 2x3w h TYR 157 N 0.56 0.67 -0.00 0.00 5.03 -1.58 -0.35 116.97 121.30 2x3w h TYR 157 Ca 0.27 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.41 2x3w h TYR 157 Cb 0.21 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 2x3w h TYR 157 CO -0.11 0.49 -0.79 0.45 -1.32 0.00 0.00 178.16 176.89 2x3w h HIS 158 N 0.69 0.03 0.00 -3.82 3.86 -0.68 -2.67 115.15 112.55 2x3w h HIS 158 Ca 0.18 -0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 2x3w h HIS 158 Cb 0.05 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 2x3w h HIS 158 CO 0.00 0.80 -0.92 -0.07 0.86 0.00 0.00 177.93 178.60 2x3w h LEU 159 N 0.01 0.00 -1.63 2.43 3.38 -0.65 -2.89 115.31 115.97 2x3w h LEU 159 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2x3w h LEU 159 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2x3w h LEU 159 CO 0.10 0.92 -0.18 0.00 0.09 0.00 0.00 178.44 179.38 2x3w h ALA 160 N 1.08 1.69 0.03 1.53 0.00 -0.97 -2.49 119.26 120.13 2x3w h ALA 160 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2x3w h ALA 160 Cb 1.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.44 2x3w h ALA 160 CO 0.12 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 2x3w h LYS 162 N -0.45 0.46 0.48 0.00 6.56 -1.47 -2.27 116.57 119.88 2x3w h LYS 162 Ca -0.06 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 2x3w h LYS 162 Cb 1.21 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2x3w h LYS 162 CO 0.08 0.30 -0.23 0.93 -2.06 0.00 0.00 179.45 178.47 2x3w h GLU 163 N 0.47 -0.62 0.00 3.15 4.39 -1.44 -3.03 114.58 117.51 2x3w h GLU 163 Ca 0.29 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2x3w h GLU 163 Cb 0.51 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2x3w h GLU 163 CO -0.09 -0.32 0.00 -1.91 -1.16 0.00 0.00 179.01 175.53 2x3w n GLU 164 N -5.27 0.00 -2.60 2.33 2.13 -0.82 -5.09 120.64 111.32 2x3w n GLU 164 Ca -0.11 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.56 2x3w n GLU 164 Cb 0.31 -1.39 0.02 0.00 0.27 0.00 0.00 31.44 30.65 2x3w n GLU 164 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2x3w n ARG 165 N -0.78 1.94 0.06 5.31 0.63 -1.15 -5.06 116.66 117.62 2x3w n ARG 165 Ca 0.00 -3.69 -0.06 0.00 -0.92 0.00 0.00 57.85 53.18 2x3w n ARG 165 Cb 0.00 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 2x3w n ARG 165 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2x3w h ASP 193 N 2.85 -0.48 -0.57 6.15 5.19 -2.03 -3.51 116.42 124.03 2x3w h ASP 193 Ca 0.04 0.05 -0.30 0.00 -0.62 0.00 0.00 57.03 56.20 2x3w h ASP 193 Cb 1.09 0.17 -0.18 0.00 0.18 0.00 0.00 39.33 40.59 2x3w h ASP 193 CO 0.62 -0.19 0.38 1.17 -3.12 0.00 0.00 179.24 178.10 2x3w n LYS 194 N -3.36 1.72 -0.08 3.56 4.81 -1.26 -3.94 118.16 119.60 2x3w n LYS 194 Ca -0.03 -1.72 -0.09 0.00 -0.87 0.00 0.00 58.31 55.59 2x3w n LYS 194 Cb 0.14 -1.68 -0.16 0.00 0.02 0.00 0.00 35.03 33.36 2x3w n LYS 194 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2x3w h ARG 196 N 0.00 0.00 0.06 0.00 2.43 -1.96 -3.17 114.38 111.75 2x3w h ARG 196 Ca -0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2x3w h ARG 196 Cb 2.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 2x3w h ARG 196 CO 0.04 0.02 -0.03 0.37 -1.51 0.00 0.00 179.97 178.86 2x3w h GLN 197 N 0.00 -0.07 -0.00 0.20 5.75 -1.75 -3.27 115.11 115.97 2x3w h GLN 197 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2x3w h GLN 197 Cb 0.99 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.56 2x3w h GLN 197 CO 0.00 -0.05 -0.00 -3.47 -2.65 0.00 0.00 178.83 172.66 2x3w n ASP 198 N -4.76 0.29 0.07 -0.69 2.03 -1.06 -2.35 116.55 110.08 2x3w n ASP 198 Ca -0.01 -1.09 0.05 0.00 0.52 0.00 0.00 54.79 54.26 2x3w n ASP 198 Cb 0.03 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.38 2x3w n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2x3w h VAL 199 N 0.46 0.28 0.28 5.18 2.07 -1.70 -2.69 116.25 120.13 2x3w h VAL 199 Ca 0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2x3w h VAL 199 Cb 0.10 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2x3w h VAL 199 CO 0.00 0.16 -0.13 -0.61 0.02 0.00 0.00 177.57 177.01 2x3w h GLN 200 N 0.00 -0.36 -0.65 1.57 4.15 -1.51 -2.89 115.11 115.42 2x3w h GLN 200 Ca -0.09 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.47 2x3w h GLN 200 Cb 1.32 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 29.01 2x3w h GLN 200 CO 0.03 -0.24 0.23 -0.22 -1.93 0.00 0.00 178.83 176.70 2x3w h LYS 201 N -1.09 0.38 0.00 1.69 3.11 -1.68 0.51 116.57 119.50 2x3w h LYS 201 Ca -0.04 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 2x3w h LYS 201 Cb 0.28 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2x3w h LYS 201 CO 0.06 0.25 -0.10 0.00 -2.81 0.00 0.00 179.45 176.86 2x3w h THR 202 N 0.40 0.33 0.00 1.00 1.03 -1.62 0.11 112.91 114.16 2x3w h THR 202 Ca 0.34 -0.65 -0.01 0.00 -0.01 0.00 0.00 66.41 66.08 2x3w h THR 202 Cb 0.47 1.49 -0.00 0.00 -1.07 0.00 0.00 68.15 69.03 2x3w h THR 202 CO -0.35 0.10 -0.15 -0.61 -0.01 0.00 0.00 175.52 174.50 2x3w h GLN 203 N 0.00 0.00 0.26 0.00 4.15 -0.73 -3.24 115.11 115.56 2x3w h GLN 203 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2x3w h GLN 203 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2x3w h GLN 203 CO 0.01 0.06 -0.13 1.49 -1.93 0.00 0.00 178.83 178.34 2x3w h GLU 204 N 0.00 -0.34 -0.42 1.69 4.22 0.59 -2.84 114.58 117.48 2x3w h GLU 204 Ca -0.00 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2x3w h GLU 204 Cb 1.05 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2x3w h GLU 204 CO 0.01 -0.09 0.14 -0.22 -2.18 0.00 0.00 179.01 176.67 2x3w h LYS 205 N -1.03 0.61 -0.06 1.92 1.63 -1.64 -0.74 116.57 117.27 2x3w h LYS 205 Ca -0.04 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 2x3w h LYS 205 Cb 0.41 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2x3w h LYS 205 CO 0.06 0.54 -0.23 -0.92 -3.45 0.00 0.00 179.45 175.45 2x3w h TYR 206 N 0.61 0.10 0.01 1.91 -0.00 -1.68 -2.87 116.97 115.05 2x3w h TYR 206 Ca 0.14 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.73 58.65 2x3w h TYR 206 Cb 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 36.87 2x3w h TYR 206 CO 0.01 0.32 -0.91 1.49 -0.00 0.00 0.00 178.16 179.06 2x3w h GLU 207 N 0.09 0.26 0.09 1.82 4.57 -0.88 -2.26 114.58 118.27 2x3w h GLU 207 Ca 0.01 -0.29 -0.26 0.00 -1.18 0.00 0.00 59.36 57.64 2x3w h GLU 207 Cb 0.46 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2x3w h GLU 207 CO 0.03 1.01 -1.25 1.57 -1.18 0.00 0.00 179.01 179.20 2x3w h LYS 208 N 0.14 0.19 -0.39 1.92 2.10 -1.38 -2.24 116.57 116.90 2x3w h LYS 208 Ca -0.06 -0.32 -0.08 0.00 -2.00 0.00 0.00 60.65 58.20 2x3w h LYS 208 Cb 1.55 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.99 2x3w h LYS 208 CO 0.15 1.12 -0.05 0.28 -2.00 0.00 0.00 179.45 178.94 2x3w h VAL 209 N 0.05 1.27 -0.48 0.07 2.07 -1.58 0.18 116.25 117.83 2x3w h VAL 209 Ca -0.13 -1.11 0.10 0.00 0.82 0.00 0.00 66.70 66.39 2x3w h VAL 209 Cb 1.93 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2x3w h VAL 209 CO 0.17 0.37 0.33 0.25 0.02 0.00 0.00 177.57 178.71 2x3w h LEU 210 N 0.55 0.18 0.00 2.57 5.85 -1.39 -0.16 115.31 122.90 2x3w h LEU 210 Ca 0.11 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.57 2x3w h LEU 210 Cb 0.56 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.57 2x3w h LEU 210 CO 0.03 0.11 -1.02 -0.08 -0.34 0.00 0.00 178.44 177.14 2x3w h GLU 211 N 0.19 0.68 0.00 1.25 4.81 -0.68 -2.89 114.58 117.95 2x3w h GLU 211 Ca 0.22 -0.74 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 2x3w h GLU 211 Cb 0.62 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2x3w h GLU 211 CO -0.04 1.32 -0.22 0.22 -0.73 0.00 0.00 179.01 179.56 2x3w h ASP 212 N 0.36 0.00 0.01 1.04 -0.00 -0.32 -1.63 116.42 115.87 2x3w h ASP 212 Ca -0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.72 2x3w h ASP 212 Cb 1.68 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 41.00 2x3w h ASP 212 CO 0.20 0.22 -0.64 0.58 -0.00 0.00 0.00 179.24 179.60 2x3w h VAL 213 N 0.00 1.32 0.04 2.25 2.07 -1.13 -3.09 116.25 117.71 2x3w h VAL 213 Ca -0.00 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 2x3w h VAL 213 Cb 1.17 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2x3w h VAL 213 CO 0.03 0.59 -0.02 1.23 0.02 0.00 0.00 177.57 179.42 2x3w h GLY 214 N 0.97 -0.06 0.82 2.17 0.00 -1.29 -2.82 103.07 102.86 2x3w h GLY 214 Ca -0.01 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.47 2x3w h GLY 214 CO 0.12 -0.02 0.47 0.50 0.00 0.00 0.00 176.54 177.61 2x3w h LYS 215 N -0.44 0.42 -0.09 4.80 1.57 -1.40 -2.30 116.57 119.14 2x3w h LYS 215 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2x3w h LYS 215 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2x3w h LYS 215 CO 0.01 0.28 0.00 0.25 -0.57 0.00 0.00 179.45 179.42 2x3w n THR 216 N -4.48 0.10 -0.04 -0.16 -2.24 -1.17 -4.42 114.28 101.87 2x3w n THR 216 Ca 0.13 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2x3w n THR 216 Cb 0.46 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 2x3w n THR 216 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2x3w h THR 217 N 3.34 1.15 -0.71 4.28 2.02 -1.15 -2.95 112.91 118.90 2x3w h THR 217 Ca 0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.74 2x3w h THR 217 Cb 0.72 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2x3w h THR 217 CO 0.00 0.14 0.45 -0.65 0.37 0.00 0.00 175.52 175.83 2x3w h PRO 218 N 0.09 0.85 -0.20 6.66 0.11 -1.78 -1.42 132.00 136.32 2x3w h PRO 218 Ca 0.05 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2x3w h PRO 218 Cb 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2x3w h PRO 218 CO -0.00 0.57 -0.41 -0.56 -0.21 0.00 0.00 178.00 177.38 2x3w h GLN 219 N 0.88 0.46 0.00 1.05 -0.00 -1.85 -1.26 115.11 114.38 2x3w h GLN 219 Ca 0.28 -0.23 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 2x3w h GLN 219 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.48 2x3w h GLN 219 CO -0.10 0.79 -0.39 -0.92 -0.00 0.00 0.00 178.83 178.20 2x3w h TYR 220 N 0.38 0.00 0.13 0.06 3.20 -1.30 -2.23 116.97 117.21 2x3w h TYR 220 Ca 0.03 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.62 2x3w h TYR 220 Cb 0.88 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.16 2x3w h TYR 220 CO 0.03 0.39 -1.23 0.52 -1.64 0.00 0.00 178.16 176.23 2x3w h MET 221 N 0.00 0.41 -0.59 1.82 2.86 -0.76 -2.97 114.93 115.70 2x3w h MET 221 Ca -0.00 -0.61 -0.09 0.00 -2.06 0.00 0.00 59.70 56.93 2x3w h MET 221 Cb 0.78 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 2x3w h MET 221 CO 0.05 1.27 0.00 0.93 1.06 0.00 0.00 176.91 180.22 2x3w h GLU 222 N 0.15 1.02 -0.23 1.72 5.08 -1.09 -2.03 114.58 119.20 2x3w h GLU 222 Ca -0.16 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 2x3w h GLU 222 Cb 1.92 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 2x3w h GLU 222 CO 0.22 1.00 -0.41 0.78 -1.00 0.00 0.00 179.01 179.59 2x3w h GLY 223 N 1.00 0.60 1.96 -3.84 0.00 -1.46 -2.17 103.07 99.16 2x3w h GLY 223 Ca 0.17 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 2x3w h GLY 223 CO 0.03 0.54 -0.66 -0.33 0.00 0.00 0.00 176.54 176.12 2x3w h MET 224 N 0.45 0.04 -0.25 4.80 2.86 -1.39 -2.98 114.93 118.46 2x3w h MET 224 Ca 0.04 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2x3w h MET 224 Cb 0.91 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2x3w h MET 224 CO 0.08 0.68 -0.20 0.93 1.06 0.00 0.00 176.91 179.46 2x3w h GLU 225 N 0.03 0.58 -0.00 1.72 4.39 -1.23 -1.43 114.58 118.63 2x3w h GLU 225 Ca -0.01 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.42 2x3w h GLU 225 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2x3w h GLU 225 CO 0.09 0.87 -0.08 1.96 -1.16 0.00 0.00 179.01 180.69 2x3w h GLN 226 N 0.29 -0.13 0.05 2.33 1.08 -1.32 0.29 115.11 117.70 2x3w h GLN 226 Ca 0.05 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2x3w h GLN 226 Cb 0.74 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2x3w h GLN 226 CO 0.05 -0.09 -0.02 0.28 -0.95 0.00 0.00 178.83 178.10 2x3w h VAL 227 N -0.13 1.00 -0.94 -0.54 2.07 -1.60 -2.21 116.25 113.89 2x3w h VAL 227 Ca 0.03 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.53 2x3w h VAL 227 Cb 0.17 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2x3w h VAL 227 CO -0.08 0.04 0.56 0.15 0.02 0.00 0.00 177.57 178.26 2x3w h PHE 228 N -0.13 1.01 -0.44 1.57 3.04 -0.65 -0.65 116.94 120.69 2x3w h PHE 228 Ca -0.01 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 2x3w h PHE 228 Cb 0.11 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 2x3w h PHE 228 CO -0.05 0.35 -0.12 1.49 -2.02 0.00 0.00 178.31 177.96 2x3w h GLU 229 N 0.86 0.79 -0.52 1.11 4.57 -0.20 -0.94 114.58 120.25 2x3w h GLU 229 Ca 0.49 -0.27 0.08 0.00 -1.18 0.00 0.00 59.36 58.48 2x3w h GLU 229 Cb 0.56 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 2x3w h GLU 229 CO -0.30 0.87 0.15 1.96 -1.18 0.00 0.00 179.01 180.52 2x3w h GLN 230 N 0.71 0.30 -0.62 1.92 4.20 -0.51 -1.54 115.11 119.57 2x3w h GLN 230 Ca 0.12 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2x3w h GLN 230 Cb 0.60 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2x3w h GLN 230 CO 0.04 0.20 0.17 0.00 -0.67 0.00 0.00 178.83 178.57 2x3w h GLN 232 N 0.91 1.13 -0.34 0.00 1.08 -0.70 -1.47 115.11 115.71 2x3w h GLN 232 Ca 0.20 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.19 2x3w h GLN 232 Cb 0.33 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2x3w h GLN 232 CO -0.00 0.75 -0.36 1.96 -0.95 0.00 0.00 178.83 180.22 2x3w h GLN 233 N 1.16 0.79 -0.11 1.46 4.20 -0.95 -0.83 115.11 120.83 2x3w h GLN 233 Ca 0.36 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2x3w h GLN 233 Cb -0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2x3w h GLN 233 CO -0.11 1.02 -0.01 0.35 -0.67 0.00 0.00 178.83 179.41 2x3w h PHE 234 N 0.65 0.22 -0.91 2.96 3.04 -0.99 -2.54 116.94 119.37 2x3w h PHE 234 Ca 0.06 -0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.03 2x3w h PHE 234 Cb 0.91 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.31 2x3w h PHE 234 CO 0.05 0.47 0.59 1.49 -2.02 0.00 0.00 178.31 178.89 2x3w h GLU 235 N -0.09 1.03 -0.21 1.11 4.57 -1.20 -2.96 114.58 116.83 2x3w h GLU 235 Ca 0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2x3w h GLU 235 Cb 0.38 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2x3w h GLU 235 CO 0.01 0.68 0.13 1.49 -1.18 0.00 0.00 179.01 180.14 2x3w h GLU 236 N 1.06 0.28 -0.90 1.92 4.81 -0.81 -1.59 114.58 119.35 2x3w h GLU 236 Ca 0.38 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.68 2x3w h GLU 236 Cb 0.15 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 2x3w h GLU 236 CO -0.14 0.21 0.55 0.87 -0.73 0.00 0.00 179.01 179.77 2x3w h LYS 237 N 0.27 0.92 -0.89 1.92 1.57 -1.30 -0.52 116.57 118.55 2x3w h LYS 237 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2x3w h LYS 237 Cb -0.01 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 2x3w h LYS 237 CO -0.02 0.61 0.47 -0.09 -0.57 0.00 0.00 179.45 179.86 2x3w h ARG 238 N 0.95 1.25 -0.02 3.15 2.43 -1.31 -1.24 114.38 119.57 2x3w h ARG 238 Ca 0.42 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2x3w h ARG 238 Cb 0.30 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2x3w h ARG 238 CO -0.22 0.92 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.08 2x3w h LEU 239 N 1.25 0.06 -1.19 3.80 3.38 -0.25 -1.44 115.31 120.91 2x3w h LEU 239 Ca 0.31 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2x3w h LEU 239 Cb 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2x3w h LEU 239 CO -0.05 0.48 0.51 0.58 0.09 0.00 0.00 178.44 180.06 2x3w h VAL 240 N -0.37 1.21 -0.22 1.22 2.07 -1.10 -1.77 116.25 117.29 2x3w h VAL 240 Ca 0.00 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.91 2x3w h VAL 240 Cb 0.47 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2x3w h VAL 240 CO 0.00 0.21 -0.67 0.15 0.02 0.00 0.00 177.57 177.28 2x3w h PHE 241 N 1.09 1.10 0.00 1.57 3.04 -1.12 -2.58 116.94 120.04 2x3w h PHE 241 Ca 0.29 -0.44 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 2x3w h PHE 241 Cb -0.10 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 2x3w h PHE 241 CO 0.00 1.28 -0.45 -0.07 -2.02 0.00 0.00 178.31 177.05 2x3w h LEU 242 N 0.60 0.00 -0.51 0.59 3.38 -1.07 -1.72 115.31 116.58 2x3w h LEU 242 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2x3w h LEU 242 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2x3w h LEU 242 CO 0.14 0.45 0.00 0.50 0.09 0.00 0.00 178.44 179.62 2x3w h LYS 243 N 0.00 0.90 -0.21 1.13 3.64 -1.25 -1.47 116.57 119.30 2x3w h LYS 243 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2x3w h LYS 243 Cb 1.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2x3w h LYS 243 CO 0.06 0.93 0.13 1.49 -2.27 0.00 0.00 179.45 179.79 2x3w h GLU 244 N 0.76 0.27 -0.65 1.90 4.81 -1.20 -2.72 114.58 117.76 2x3w h GLU 244 Ca 0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2x3w h GLU 244 Cb 0.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2x3w h GLU 244 CO 0.03 0.18 0.43 0.28 -0.73 0.00 0.00 179.01 179.19 2x3w h VAL 245 N 0.28 1.17 -0.66 0.32 2.07 -1.21 -1.62 116.25 116.60 2x3w h VAL 245 Ca 0.08 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2x3w h VAL 245 Cb -0.03 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 2x3w h VAL 245 CO -0.02 0.16 0.36 -0.07 0.02 0.00 0.00 177.57 178.02 2x3w h LEU 246 N 0.88 0.54 -0.40 2.57 4.07 -1.17 0.14 115.31 121.94 2x3w h LEU 246 Ca 0.24 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 2x3w h LEU 246 Cb -0.10 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2x3w h LEU 246 CO -0.05 0.35 0.21 -0.07 -1.08 0.00 0.00 178.44 177.80 2x3w h LEU 247 N 0.68 0.51 -0.34 1.67 4.07 -1.26 -1.80 115.31 118.83 2x3w h LEU 247 Ca 0.30 -0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.23 2x3w h LEU 247 Cb 0.18 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.72 2x3w h LEU 247 CO -0.18 0.46 -0.18 0.44 -1.08 0.00 0.00 178.44 177.90 2x3w h ASP 248 N 0.51 -0.61 -0.93 -0.43 3.45 -0.25 0.17 116.42 118.33 2x3w h ASP 248 Ca 0.14 0.14 0.06 0.00 0.43 0.00 0.00 57.03 57.80 2x3w h ASP 248 Cb 0.08 0.33 -0.06 0.00 -0.56 0.00 0.00 39.33 39.11 2x3w h ASP 248 CO -0.02 -0.22 0.59 0.40 -1.57 0.00 0.00 179.24 178.43 2x3w h ILE 249 N -0.13 1.07 -0.41 0.35 2.04 -0.84 -2.33 117.51 117.26 2x3w h ILE 249 Ca 0.17 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2x3w h ILE 249 Cb 0.40 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2x3w h ILE 249 CO -0.43 0.20 0.22 0.50 0.00 0.00 0.00 178.15 178.64 2x3w h LYS 250 N 1.09 0.58 -0.10 2.37 3.64 -0.12 -1.75 116.57 122.27 2x3w h LYS 250 Ca 0.40 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 2x3w h LYS 250 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2x3w h LYS 250 CO -0.17 0.48 -0.25 0.00 -2.27 0.00 0.00 179.45 177.24 2x3w h ARG 251 N 0.53 0.18 -0.00 1.90 3.08 -0.70 -1.74 114.38 117.63 2x3w h ARG 251 Ca 0.14 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2x3w h ARG 251 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2x3w h ARG 251 CO -0.02 0.43 -0.75 0.45 -1.07 0.00 0.00 179.97 179.02 2x3w h HIS 252 N 0.17 0.02 0.00 3.04 3.86 -1.04 -3.19 115.15 118.01 2x3w h HIS 252 Ca 0.03 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2x3w h HIS 252 Cb 0.55 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2x3w h HIS 252 CO 0.01 0.75 -0.41 -0.07 0.86 0.00 0.00 177.93 179.07 2x3w h LEU 253 N 0.01 0.00 -7.99 2.43 3.38 -0.74 -3.42 115.31 108.98 2x3w h LEU 253 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 2x3w h LEU 253 Cb 1.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 2x3w h LEU 253 CO 0.10 0.41 1.70 0.21 0.09 0.00 0.00 178.44 180.95 2x3w s ASN 254 N -6.41 6.36 0.45 -0.43 2.47 -0.71 -4.76 114.94 111.91 2x3w s ASN 254 Ca 0.04 -1.86 0.22 0.00 0.42 0.00 0.00 52.86 51.69 2x3w s ASN 254 Cb 0.07 -2.58 1.06 0.00 -1.45 0.00 0.00 41.25 38.35 2x3w s ASN 254 CO 0.73 -1.66 1.91 -0.07 -3.72 0.00 0.00 177.10 174.29 2x3w h LEU 255 N 13.74 0.00 -2.93 3.21 3.38 -1.87 -2.07 115.31 128.77 2x3w h LEU 255 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2x3w h LEU 255 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2x3w h LEU 255 CO 1.40 0.24 -0.00 0.00 0.09 0.00 0.00 178.44 180.16 2x3w h ALA 256 N 1.76 1.01 0.25 1.53 0.00 -1.99 -2.62 119.26 119.21 2x3w h ALA 256 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2x3w h ALA 256 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2x3w h ALA 256 CO 0.03 0.00 -0.12 0.93 0.00 0.00 0.00 179.25 180.09 2x3w h GLU 257 N 0.00 -0.33 -6.88 0.00 5.08 -1.76 -3.46 114.58 107.22 2x3w h GLU 257 Ca -0.00 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.87 2x3w h GLU 257 Cb 0.02 0.07 0.05 0.00 0.50 0.00 0.00 28.75 29.40 2x3w h GLU 257 CO 0.00 -0.22 0.56 0.54 -1.00 0.00 0.00 179.01 178.89 2x3w s ASN 258 N -2.62 6.80 0.56 1.42 2.20 -0.99 -4.90 114.94 117.41 2x3w s ASN 258 Ca -0.05 2.50 0.34 0.00 -0.94 0.00 0.00 52.86 54.71 2x3w s ASN 258 Cb 0.00 -2.63 1.54 0.00 -2.00 0.00 0.00 41.25 38.16 2x3w s ASN 258 CO 0.15 -0.49 2.05 0.77 -2.94 0.00 0.00 177.10 176.64 2x3w h SER 259 N 3.25 0.00 -0.77 3.54 4.64 -1.89 -2.98 113.55 119.34 2x3w h SER 259 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 2x3w h SER 259 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2x3w h SER 259 CO 0.65 0.04 0.28 -1.28 -0.87 0.00 0.00 176.83 175.65 2x3w h SER 260 N 0.00 1.10 -0.36 4.97 0.87 -1.93 0.38 113.55 118.57 2x3w h SER 260 Ca -0.00 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2x3w h SER 260 Cb 0.42 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2x3w h SER 260 CO 0.01 0.99 0.07 0.22 -0.53 0.00 0.00 176.83 177.59 2x3w h TYR 261 N 1.14 0.62 -0.51 2.24 5.03 -1.81 -2.39 116.97 121.29 2x3w h TYR 261 Ca 0.26 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 2x3w h TYR 261 Cb 0.26 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 2x3w h TYR 261 CO 0.02 0.63 0.14 1.98 -1.32 0.00 0.00 178.16 179.62 2x3w h MET 262 N 0.43 0.76 0.00 1.82 4.05 -1.50 -2.74 114.93 117.76 2x3w h MET 262 Ca 0.11 -0.14 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 2x3w h MET 262 Cb 0.33 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2x3w h MET 262 CO 0.00 0.68 -0.60 0.45 0.23 0.00 0.00 176.91 177.67 2x3w h HIS 263 N 0.74 0.00 -0.63 1.39 3.86 -0.79 -2.84 115.15 116.88 2x3w h HIS 263 Ca 0.17 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 2x3w h HIS 263 Cb 0.24 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 2x3w h HIS 263 CO 0.01 0.60 0.28 0.28 0.86 0.00 0.00 177.93 179.96 2x3w h VAL 264 N 0.00 0.82 0.00 2.45 2.07 -1.11 -1.47 116.25 119.01 2x3w h VAL 264 Ca -0.01 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 2x3w h VAL 264 Cb 1.09 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2x3w h VAL 264 CO 0.08 0.09 -0.61 1.88 0.02 0.00 0.00 177.57 179.02 2x3w h TYR 265 N 0.49 0.00 -0.45 1.57 0.05 -1.61 -2.34 116.97 114.68 2x3w h TYR 265 Ca 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.05 2x3w h TYR 265 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2x3w h TYR 265 CO -0.14 0.48 0.14 -0.09 -1.05 0.00 0.00 178.16 177.50 2x3w h ARG 266 N 0.00 0.69 -0.72 4.88 2.43 -1.22 -2.07 114.38 118.37 2x3w h ARG 266 Ca -0.03 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2x3w h ARG 266 Cb 1.39 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 2x3w h ARG 266 CO 0.06 0.67 0.44 0.93 -1.51 0.00 0.00 179.97 180.56 2x3w h GLU 267 N 0.58 0.97 -0.23 0.20 5.08 -1.23 -2.67 114.58 117.28 2x3w h GLU 267 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2x3w h GLU 267 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2x3w h GLU 267 CO -0.00 0.68 0.07 1.25 -1.00 0.00 0.00 179.01 180.01 2x3w h LEU 268 N 0.98 0.33 -0.88 1.33 6.46 -1.28 -2.10 115.31 120.16 2x3w h LEU 268 Ca 0.26 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2x3w h LEU 268 Cb -0.05 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 2x3w h LEU 268 CO -0.05 0.45 0.44 -0.08 -0.62 0.00 0.00 178.44 178.58 2x3w h GLU 269 N 0.20 1.24 -0.32 1.25 4.81 -1.33 -1.06 114.58 119.37 2x3w h GLU 269 Ca 0.07 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 2x3w h GLU 269 Cb 0.23 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2x3w h GLU 269 CO -0.00 0.94 -0.43 1.96 -0.73 0.00 0.00 179.01 180.75 2x3w h GLN 270 N 1.24 0.81 -0.01 1.92 1.08 -1.35 -0.50 115.11 118.30 2x3w h GLN 270 Ca 0.30 -0.45 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2x3w h GLN 270 Cb 0.08 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2x3w h GLN 270 CO -0.04 1.08 -0.13 0.00 -0.95 0.00 0.00 178.83 178.79 2x3w h ALA 271 N 0.85 -0.13 -0.74 3.87 0.00 -1.13 -0.95 119.26 121.03 2x3w h ALA 271 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2x3w h ALA 271 Cb 1.00 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2x3w h ALA 271 CO 0.10 -0.61 0.47 0.82 0.00 0.00 0.00 179.25 180.02 2x3w h ILE 272 N -0.21 1.11 0.00 0.00 2.04 -1.01 -0.93 117.51 118.51 2x3w h ILE 272 Ca 0.05 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2x3w h ILE 272 Cb 0.27 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2x3w h ILE 272 CO -0.13 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.72 2x3w n ARG 273 N -4.64 0.08 0.03 2.37 1.74 -0.21 -2.02 116.66 114.02 2x3w n ARG 273 Ca 0.08 0.18 0.14 0.00 -0.77 0.00 0.00 57.85 57.48 2x3w n ARG 273 Cb 0.09 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.54 2x3w n ARG 273 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x3w n GLY 274 N 0.21 -1.53 3.62 -0.13 0.00 -0.35 -4.80 105.19 102.20 2x3w n GLY 274 Ca 0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2x3w n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x3w s ALA 275 N -3.03 3.25 -0.22 4.61 0.00 -0.86 -4.98 121.76 120.53 2x3w s ALA 275 Ca 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2x3w s ALA 275 Cb 0.17 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2x3w s ALA 275 CO 0.57 -1.99 0.01 0.34 0.00 0.00 0.00 175.76 174.69 2x3w s ASP 276 N 3.50 4.73 -0.04 0.00 3.68 -1.26 -4.98 116.67 122.31 2x3w s ASP 276 Ca 0.62 -0.27 -0.25 0.00 2.13 0.00 0.00 52.55 54.77 2x3w s ASP 276 Cb -0.18 -1.82 -0.20 0.00 -1.45 0.00 0.00 42.92 39.27 2x3w s ASP 276 CO 0.27 0.01 1.14 0.00 0.13 0.00 0.00 175.17 176.72 2x3w h ALA 277 N 7.93 -0.06 -0.25 3.66 0.00 -2.00 -3.07 119.26 125.47 2x3w h ALA 277 Ca -0.39 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2x3w h ALA 277 Cb 1.17 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2x3w h ALA 277 CO 0.60 -0.25 -0.31 1.96 0.00 0.00 0.00 179.25 181.24 2x3w h GLN 278 N -0.62 -0.31 -0.68 0.00 1.08 -1.99 0.11 115.11 112.70 2x3w h GLN 278 Ca -0.01 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2x3w h GLN 278 Cb 0.55 0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 27.95 2x3w h GLN 278 CO 0.01 -0.20 0.12 1.49 -0.95 0.00 0.00 178.83 179.30 2x3w h GLU 279 N -0.32 0.22 -0.78 1.46 4.81 -2.00 0.30 114.58 118.27 2x3w h GLU 279 Ca 0.13 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2x3w h GLU 279 Cb 0.53 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2x3w h GLU 279 CO -0.43 0.15 0.49 -0.44 -0.73 0.00 0.00 179.01 178.05 2x3w h ASP 280 N 0.23 0.80 -0.14 1.04 3.45 -0.89 -1.57 116.42 119.33 2x3w h ASP 280 Ca 0.37 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.73 2x3w h ASP 280 Cb 0.62 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2x3w h ASP 280 CO -0.50 0.54 -0.28 -0.07 -1.57 0.00 0.00 179.24 177.36 2x3w h LEU 281 N 0.94 0.63 -0.20 1.55 3.38 0.18 -2.93 115.31 118.87 2x3w h LEU 281 Ca 0.32 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2x3w h LEU 281 Cb 0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2x3w h LEU 281 CO -0.13 0.88 -0.19 0.03 0.09 0.00 0.00 178.44 179.12 2x3w h ARG 282 N 0.53 0.48 -0.59 1.13 3.08 -0.50 -3.00 114.38 115.51 2x3w h ARG 282 Ca 0.07 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.93 2x3w h ARG 282 Cb 0.75 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2x3w h ARG 282 CO 0.06 0.82 0.39 2.35 -1.07 0.00 0.00 179.97 182.52 2x3w h TRP 283 N 0.15 0.57 -0.29 3.04 7.01 -1.22 -1.46 115.95 123.75 2x3w h TRP 283 Ca 0.03 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.93 2x3w h TRP 283 Cb 0.73 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2x3w h TRP 283 CO 0.08 0.31 -0.27 0.35 -2.79 0.00 0.00 178.44 176.12 2x3w h PHE 284 N 0.57 0.83 -0.23 2.65 3.04 -1.50 -2.46 116.94 119.85 2x3w h PHE 284 Ca 0.25 -0.25 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2x3w h PHE 284 Cb 0.28 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 2x3w h PHE 284 CO -0.00 0.99 0.13 -0.09 -2.02 0.00 0.00 178.31 177.31 2x3w h ARG 285 N 0.44 0.31 -0.10 1.11 2.43 -1.24 0.41 114.38 117.75 2x3w h ARG 285 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2x3w h ARG 285 Cb 0.84 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2x3w h ARG 285 CO 0.07 0.28 -0.05 0.77 -1.51 0.00 0.00 179.97 179.53 2x3w h SER 286 N 0.27 0.12 -0.00 -3.80 0.02 -1.28 0.14 113.55 109.01 2x3w h SER 286 Ca 0.08 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2x3w h SER 286 Cb 0.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2x3w h SER 286 CO -0.01 0.20 -0.17 0.35 -1.14 0.00 0.00 176.83 176.05 2x3w n THR 287 N -4.40 0.00 -1.42 -2.27 -2.24 -0.93 -3.93 114.28 99.09 2x3w n THR 287 Ca -0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2x3w n THR 287 Cb 0.17 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2x3w n THR 287 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2x3w n SER 288 N -0.41 0.00 -2.07 3.42 7.64 0.14 -5.02 113.62 117.32 2x3w n SER 288 Ca 0.03 -0.86 -0.01 0.00 1.01 0.00 0.00 58.87 59.04 2x3w n SER 288 Cb 0.15 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2x3w n SER 288 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x3w n GLY 289 N 0.00 4.18 0.40 0.23 0.00 0.00 -4.93 105.19 105.08 2x3w n GLY 289 Ca 0.00 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.98 2x3w n GLY 289 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x3w h PRO 290 N 0.00 0.00 0.00 1.61 0.11 -1.92 -0.30 132.00 131.50 2x3w h PRO 290 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2x3w h PRO 290 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2x3w h PRO 290 CO 0.02 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.22 2x3w n GLY 291 N -1.48 -0.88 3.74 -0.55 0.00 -1.00 -4.78 105.19 100.24 2x3w n GLY 291 Ca 0.08 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2x3w n GLY 291 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x3w s MET 292 N -2.49 4.53 0.72 1.61 -1.94 -0.13 -4.71 119.30 116.89 2x3w s MET 292 Ca 0.20 1.86 -0.16 0.00 -1.71 0.00 0.00 55.69 55.88 2x3w s MET 292 Cb 0.13 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.76 2x3w s MET 292 CO 0.29 -0.01 1.09 -2.30 -0.01 0.00 0.00 175.02 174.08 2x3w n PRO 293 N 2.08 0.60 -3.64 2.03 -0.02 -1.26 -5.03 135.00 129.76 2x3w n PRO 293 Ca 0.03 0.26 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 2x3w n PRO 293 Cb 0.45 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2x3w n PRO 293 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2x3w s MET 294 N -3.47 0.66 -0.24 -0.52 1.75 -1.26 -5.12 119.30 111.10 2x3w s MET 294 Ca 0.76 1.25 -0.18 0.00 -1.25 0.00 0.00 55.69 56.27 2x3w s MET 294 Cb -0.35 0.31 -0.03 0.00 2.84 0.00 0.00 34.83 37.61 2x3w s MET 294 CO 0.48 -0.16 0.49 0.54 -0.65 0.00 0.00 175.02 175.72 2x3w s ASN 295 N 1.93 6.46 0.46 1.11 2.20 -1.26 -5.07 114.94 120.77 2x3w s ASN 295 Ca -0.09 0.55 -0.02 0.00 -0.94 0.00 0.00 52.86 52.37 2x3w s ASN 295 Cb -0.07 -2.27 -0.01 0.00 -2.00 0.00 0.00 41.25 36.90 2x3w s ASN 295 CO -0.19 -0.22 0.70 0.26 -2.94 0.00 0.00 177.10 174.71 2x3w s TRP 296 N 1.98 3.35 0.30 1.54 0.52 -1.26 -5.00 118.94 120.37 2x3w s TRP 296 Ca 0.21 0.43 -0.25 0.00 0.02 0.00 0.00 56.10 56.51 2x3w s TRP 296 Cb -0.15 -2.29 -0.15 0.00 -1.15 0.00 0.00 33.47 29.72 2x3w s TRP 296 CO 0.09 -0.32 0.47 -2.30 0.02 0.00 0.00 176.95 174.92 2x3w n PRO 297 N -2.13 0.27 -3.90 4.98 -0.02 -1.26 -4.98 135.00 127.95 2x3w n PRO 297 Ca 0.00 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2x3w n PRO 297 Cb 0.57 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.84 2x3w n PRO 297 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2x3w s GLN 298 N -1.17 1.93 0.79 -0.52 -2.07 -1.26 -5.16 119.66 112.19 2x3w s GLN 298 Ca 0.62 -1.32 -0.11 0.00 -1.82 0.00 0.00 55.36 52.73 2x3w s GLN 298 Cb -0.77 0.56 0.07 0.00 -1.09 0.00 0.00 33.01 31.78 2x3w s GLN 298 CO 0.59 -0.86 1.09 0.12 -1.32 0.00 0.00 175.29 174.90 2x3w s PHE 299 N -3.22 2.51 0.08 9.60 2.19 -1.26 -5.07 117.98 122.82 2x3w s PHE 299 Ca 0.18 1.54 -0.26 0.00 0.33 0.00 0.00 56.93 58.72 2x3w s PHE 299 Cb -0.04 -3.07 0.08 0.00 -1.31 0.00 0.00 43.02 38.69 2x3w s PHE 299 CO 0.11 -1.90 0.71 -2.00 1.83 0.00 0.00 175.22 173.97 2x3w s GLU 300 N -4.90 1.10 0.00 10.12 2.12 -1.26 -5.25 118.70 120.63 2x3w s GLU 300 Ca 0.62 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2x3w s GLU 300 Cb -0.17 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.72 2x3w s GLU 300 CO 0.56 -0.47 0.00 0.39 -0.54 0.00 0.00 175.26 175.20