#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx4 s LEU 83 N 0.00 4.38 0.05 -5.58 2.96 -1.26 -5.04 118.68 114.20 1gx4 s LEU 83 Ca 0.00 2.82 0.08 0.00 -0.22 0.00 0.00 54.13 56.81 1gx4 s LEU 83 Cb 0.00 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1gx4 s LEU 83 CO 0.00 -0.67 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.59 1gx4 s LYS 84 N -1.79 1.89 0.20 1.98 3.01 -1.26 -5.05 119.74 118.71 1gx4 s LYS 84 Ca 0.51 -1.08 -0.13 0.00 -1.01 0.00 0.00 55.97 54.27 1gx4 s LYS 84 Cb -0.42 -2.07 0.22 0.00 -1.01 0.00 0.00 37.83 34.55 1gx4 s LYS 84 CO 0.56 0.52 1.67 1.25 0.51 0.00 0.00 175.35 179.86 1gx4 h LEU 85 N 4.57 -0.25 -1.03 3.17 5.85 -1.96 0.73 115.31 126.39 1gx4 h LEU 85 Ca -0.48 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1gx4 h LEU 85 Cb 1.15 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1gx4 h LEU 85 CO 0.45 -0.09 0.00 0.77 -0.34 0.00 0.00 178.44 179.23 1gx4 h SER 86 N 0.11 0.00 -0.06 1.25 4.64 -1.97 -0.69 113.55 116.83 1gx4 h SER 86 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1gx4 h SER 86 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1gx4 h SER 86 CO -0.46 0.00 0.03 0.44 -0.87 0.00 0.00 176.83 175.97 1gx4 h ASP 87 N 0.00 0.09 0.00 4.97 3.45 -1.26 -3.37 116.42 120.31 1gx4 h ASP 87 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1gx4 h ASP 87 Cb 0.27 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1gx4 h ASP 87 CO 0.00 0.08 -0.18 -2.67 -1.57 0.00 0.00 179.24 174.90 1gx4 n TRP 88 N -4.50 0.00 -4.35 4.55 4.27 -0.84 -4.94 117.44 111.63 1gx4 n TRP 88 Ca -0.02 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.26 1gx4 n TRP 88 Cb 0.10 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.89 1gx4 n TRP 88 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1gx4 s PHE 89 N -0.60 2.75 -0.38 -2.67 5.36 -0.32 -1.10 117.98 121.03 1gx4 s PHE 89 Ca 0.00 -1.44 0.02 0.00 -0.96 0.00 0.00 56.93 54.55 1gx4 s PHE 89 Cb 0.00 -1.89 0.11 0.00 -0.34 0.00 0.00 43.02 40.90 1gx4 s PHE 89 CO 0.00 -0.69 0.13 1.21 -1.46 0.00 0.00 175.22 174.41 1gx4 s ASN 90 N 1.08 4.27 0.52 6.13 3.84 -0.19 -4.51 114.94 126.08 1gx4 s ASN 90 Ca -0.00 -2.21 0.29 0.00 0.21 0.00 0.00 52.86 51.15 1gx4 s ASN 90 Cb -0.14 -1.28 1.43 0.00 -0.55 0.00 0.00 41.25 40.71 1gx4 s ASN 90 CO -0.07 -0.35 2.04 1.55 -2.79 0.00 0.00 177.10 177.48 1gx4 h PRO 91 N 7.43 0.00 0.00 0.43 0.13 -1.94 -2.88 132.00 135.17 1gx4 h PRO 91 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1gx4 h PRO 91 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1gx4 h PRO 91 CO 0.52 0.11 0.00 1.19 -0.23 0.00 0.00 178.00 179.60 1gx4 n PHE 92 N -3.47 0.41 0.30 1.56 3.01 -1.26 -1.64 117.46 116.38 1gx4 n PHE 92 Ca -0.01 0.16 0.17 0.00 1.01 0.00 0.00 57.45 58.79 1gx4 n PHE 92 Cb 0.27 -0.76 0.76 0.00 -0.01 0.00 0.00 39.48 39.73 1gx4 n PHE 92 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1gx4 h LYS 93 N 0.00 0.00 -2.04 -1.08 1.79 -1.82 -3.34 116.57 110.08 1gx4 h LYS 93 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 1gx4 h LYS 93 Cb 0.31 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.56 1gx4 h LYS 93 CO 0.00 0.00 -1.00 0.54 -1.08 0.00 0.00 179.45 177.91 1gx4 n ARG 94 N -2.95 1.13 0.16 3.15 5.12 -0.65 -4.90 116.66 117.72 1gx4 n ARG 94 Ca 0.00 -3.55 0.13 0.00 -1.93 0.00 0.00 57.85 52.50 1gx4 n ARG 94 Cb 0.24 -1.46 0.54 0.00 -1.16 0.00 0.00 32.46 30.63 1gx4 n ARG 94 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1gx4 h PRO 95 N 3.98 0.00 -0.50 5.56 0.13 -1.70 -3.19 132.00 136.28 1gx4 h PRO 95 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1gx4 h PRO 95 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1gx4 h PRO 95 CO 0.54 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 1gx4 n GLU 96 N -2.41 3.46 -4.36 0.86 1.02 -1.26 -4.94 120.64 113.01 1gx4 n GLU 96 Ca 0.02 -2.73 -0.18 0.00 -0.02 0.00 0.00 57.16 54.24 1gx4 n GLU 96 Cb 0.23 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 1gx4 n GLU 96 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gx4 s VAL 97 N -1.96 1.05 -0.14 2.62 -7.23 -1.21 -5.12 120.40 108.41 1gx4 s VAL 97 Ca 0.44 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 1gx4 s VAL 97 Cb 0.30 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 1gx4 s VAL 97 CO 0.19 -0.22 1.20 0.68 -0.31 0.00 0.00 175.10 176.64 1gx4 s VAL 98 N -3.41 4.36 -0.09 1.32 -7.23 -1.26 -4.89 120.40 109.20 1gx4 s VAL 98 Ca 0.31 1.65 0.02 0.00 -1.81 0.00 0.00 61.98 62.16 1gx4 s VAL 98 Cb 0.06 -4.07 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 1gx4 s VAL 98 CO 0.11 -0.09 0.08 0.35 -0.31 0.00 0.00 175.10 175.24 1gx4 n THR 99 N 5.09 0.00 -3.79 5.32 -2.24 -1.26 -4.71 114.28 112.70 1gx4 n THR 99 Ca 0.12 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1gx4 n THR 99 Cb 0.46 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 1gx4 n THR 99 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1gx4 s MET 100 N -1.19 0.21 0.64 -0.78 0.00 -1.26 -1.19 119.30 115.72 1gx4 s MET 100 Ca 0.01 0.32 -0.04 0.00 0.00 0.00 0.00 55.69 55.98 1gx4 s MET 100 Cb 0.01 0.04 0.05 0.00 0.00 0.00 0.00 34.83 34.93 1gx4 s MET 100 CO 0.08 -0.06 0.92 0.95 0.00 0.00 0.00 175.02 176.90 1gx4 s THR 101 N 0.41 2.53 0.23 10.11 -4.23 -0.41 -4.95 115.64 119.33 1gx4 s THR 101 Ca -0.03 -0.39 0.35 0.00 -1.18 0.00 0.00 61.69 60.44 1gx4 s THR 101 Cb -0.04 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 71.16 1gx4 s THR 101 CO -0.02 -0.04 2.06 0.07 -0.54 0.00 0.00 174.62 176.16 1gx4 h LYS 102 N -0.32 0.00 -0.65 3.99 2.10 -2.02 -1.62 116.57 118.05 1gx4 h LYS 102 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1gx4 h LYS 102 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1gx4 h LYS 102 CO 0.57 0.01 0.00 -2.67 -2.00 0.00 0.00 179.45 175.37 1gx4 n TRP 103 N -3.12 1.48 -1.86 0.07 2.14 -1.26 -4.95 117.44 109.94 1gx4 n TRP 103 Ca -0.00 -0.58 -0.05 0.00 2.07 0.00 0.00 57.50 58.93 1gx4 n TRP 103 Cb 0.26 -0.26 -0.01 0.00 -0.81 0.00 0.00 31.31 30.50 1gx4 n TRP 103 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1gx4 n LYS 104 N 1.07 -0.42 -3.19 -2.67 4.76 -0.61 -5.04 118.16 112.06 1gx4 n LYS 104 Ca 0.25 0.38 -0.39 0.00 -2.87 0.00 0.00 58.31 55.68 1gx4 n LYS 104 Cb 0.88 -4.16 -0.06 0.00 -1.84 0.00 0.00 35.03 29.85 1gx4 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gx4 s ALA 105 N -2.26 3.54 0.42 7.82 0.00 -1.26 -4.84 121.76 125.18 1gx4 s ALA 105 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 1gx4 s ALA 105 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1gx4 s ALA 105 CO 0.00 0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.95 1gx4 s PRO 106 N -0.97 4.03 -0.35 0.00 0.04 -1.26 -1.29 135.00 135.20 1gx4 s PRO 106 Ca 0.31 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1gx4 s PRO 106 Cb -0.20 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1gx4 s PRO 106 CO 0.21 -0.29 0.18 0.08 0.04 0.00 0.00 177.00 177.21 1gx4 s VAL 107 N -1.59 4.48 -0.40 -0.36 1.01 -0.33 -2.00 120.40 121.20 1gx4 s VAL 107 Ca 0.59 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 1gx4 s VAL 107 Cb -0.25 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1gx4 s VAL 107 CO 0.31 -0.13 0.87 -0.69 0.00 0.00 0.00 175.10 175.46 1gx4 s VAL 108 N 1.55 4.60 0.11 2.92 1.01 0.08 -4.66 120.40 126.02 1gx4 s VAL 108 Ca 0.02 0.89 0.07 0.00 0.00 0.00 0.00 61.98 62.96 1gx4 s VAL 108 Cb -0.19 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1gx4 s VAL 108 CO 0.06 -0.62 -0.09 0.26 0.00 0.00 0.00 175.10 174.71 1gx4 s TRP 109 N 3.44 2.75 0.15 5.22 0.52 -1.26 -1.57 118.94 128.19 1gx4 s TRP 109 Ca 0.35 -0.15 -0.34 0.00 0.02 0.00 0.00 56.10 55.98 1gx4 s TRP 109 Cb -0.12 -1.42 -0.14 0.00 -1.15 0.00 0.00 33.47 30.64 1gx4 s TRP 109 CO 0.21 0.44 1.58 -1.91 0.02 0.00 0.00 176.95 177.29 1gx4 n GLU 110 N 0.58 2.12 0.00 4.98 4.07 -1.26 -1.52 120.64 129.61 1gx4 n GLU 110 Ca -0.13 0.77 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 1gx4 n GLU 110 Cb 0.53 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 1gx4 n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gx4 n GLY 111 N 3.42 2.38 0.09 8.31 0.00 -1.26 -4.92 105.19 113.21 1gx4 n GLY 111 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1gx4 n GLY 111 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1gx4 h THR 112 N 0.00 0.00 -3.41 2.61 1.35 -1.51 -3.45 112.91 108.50 1gx4 h THR 112 Ca 0.00 -0.56 -0.66 0.00 -0.55 0.00 0.00 66.41 64.64 1gx4 h THR 112 Cb 0.00 1.27 -0.13 0.00 -1.73 0.00 0.00 68.15 67.55 1gx4 h THR 112 CO 0.00 0.00 -0.67 -0.72 -0.25 0.00 0.00 175.52 173.88 1gx4 s TYR 113 N -3.17 2.97 -0.74 4.73 -0.85 -1.26 -1.02 117.35 118.01 1gx4 s TYR 113 Ca 0.07 -0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.51 1gx4 s TYR 113 Cb 0.12 -1.56 0.19 0.00 0.38 0.00 0.00 41.96 41.09 1gx4 s TYR 113 CO 0.69 0.46 0.62 1.21 -1.52 0.00 0.00 175.55 177.00 1gx4 s ASN 114 N -2.03 6.03 0.29 -0.18 3.84 -0.25 -4.95 114.94 117.69 1gx4 s ASN 114 Ca 0.23 -2.79 0.05 0.00 0.21 0.00 0.00 52.86 50.56 1gx4 s ASN 114 Cb -0.12 -2.04 0.43 0.00 -0.55 0.00 0.00 41.25 38.97 1gx4 s ASN 114 CO 0.15 -0.47 1.70 -0.09 -2.79 0.00 0.00 177.10 175.60 1gx4 h ARG 115 N 7.40 0.33 -0.47 0.43 2.43 -1.98 -2.88 114.38 119.63 1gx4 h ARG 115 Ca 0.05 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1gx4 h ARG 115 Cb 1.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1gx4 h ARG 115 CO 0.73 0.66 0.25 0.00 -1.51 0.00 0.00 179.97 180.10 1gx4 h ALA 116 N 1.34 0.60 -0.50 2.80 0.00 -1.99 0.22 119.26 121.73 1gx4 h ALA 116 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1gx4 h ALA 116 Cb 0.78 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1gx4 h ALA 116 CO 0.06 0.13 0.22 0.28 0.00 0.00 0.00 179.25 179.95 1gx4 h VAL 117 N 0.62 0.91 -0.12 0.00 2.07 -1.91 -2.21 116.25 115.60 1gx4 h VAL 117 Ca 0.17 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.36 1gx4 h VAL 117 Cb 0.06 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1gx4 h VAL 117 CO -0.03 0.08 -0.66 -0.07 0.02 0.00 0.00 177.57 176.91 1gx4 h LEU 118 N 0.44 0.57 -0.99 2.57 3.38 -1.20 -2.23 115.31 117.84 1gx4 h LEU 118 Ca 0.23 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1gx4 h LEU 118 Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1gx4 h LEU 118 CO -0.19 1.08 0.22 0.44 0.09 0.00 0.00 178.44 180.08 1gx4 h ASP 119 N 0.35 0.88 -0.35 -0.43 3.32 -0.40 -0.94 116.42 118.85 1gx4 h ASP 119 Ca -0.02 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 1gx4 h ASP 119 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1gx4 h ASP 119 CO 0.12 0.81 -0.19 -1.13 -1.72 0.00 0.00 179.24 177.13 1gx4 h ASN 120 N 0.93 0.76 -0.24 6.45 -1.24 -1.27 -0.65 115.58 120.31 1gx4 h ASN 120 Ca 0.21 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.80 1gx4 h ASN 120 Cb 0.23 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1gx4 h ASN 120 CO -0.01 1.01 0.12 0.22 -1.29 0.00 0.00 177.43 177.47 1gx4 h TYR 121 N 0.52 0.35 -0.03 0.67 3.20 -1.08 -2.58 116.97 118.02 1gx4 h TYR 121 Ca 0.08 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 1gx4 h TYR 121 Cb 0.73 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1gx4 h TYR 121 CO 0.06 0.34 -0.73 1.88 -1.64 0.00 0.00 178.16 178.07 1gx4 h TYR 122 N 0.26 0.26 -0.66 -3.82 0.99 -1.21 -3.06 116.97 109.73 1gx4 h TYR 122 Ca 0.08 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 1gx4 h TYR 122 Cb 0.12 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 37.78 1gx4 h TYR 122 CO -0.02 0.85 0.31 0.00 -0.00 0.00 0.00 178.16 179.30 1gx4 h ALA 123 N 1.12 1.32 0.00 3.88 0.00 -1.00 -1.36 119.26 123.22 1gx4 h ALA 123 Ca -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1gx4 h ALA 123 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gx4 h ALA 123 CO 0.11 0.53 -0.22 0.87 0.00 0.00 0.00 179.25 180.54 1gx4 h LYS 124 N 0.93 0.00 -0.00 0.00 1.57 -1.37 0.21 116.57 117.91 1gx4 h LYS 124 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1gx4 h LYS 124 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1gx4 h LYS 124 CO -0.03 0.22 -0.20 1.04 -0.57 0.00 0.00 179.45 179.92 1gx4 n GLN 125 N -3.54 0.15 -3.40 3.15 6.02 -0.92 -4.98 117.38 113.87 1gx4 n GLN 125 Ca -0.01 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.00 56.74 1gx4 n GLN 125 Cb 0.37 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.18 1gx4 n GLN 125 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1gx4 n LYS 126 N -1.38 -1.68 -2.34 -1.09 5.02 0.73 -4.98 118.16 112.44 1gx4 n LYS 126 Ca 0.08 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 56.91 1gx4 n LYS 126 Cb 0.32 -5.02 0.01 0.00 -0.02 0.00 0.00 35.03 30.31 1gx4 n LYS 126 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1gx4 s ILE 127 N -3.32 4.75 -0.01 -0.18 -4.36 -1.17 -5.06 121.20 111.84 1gx4 s ILE 127 Ca 0.36 0.43 0.07 0.00 -0.26 0.00 0.00 60.65 61.25 1gx4 s ILE 127 Cb -0.09 -3.84 -0.02 0.00 1.25 0.00 0.00 42.46 39.77 1gx4 s ILE 127 CO 0.79 -0.93 -0.22 -0.89 0.24 0.00 0.00 174.94 173.93 1gx4 s THR 128 N -2.92 1.71 -0.08 8.37 2.01 -1.26 -4.16 115.64 119.31 1gx4 s THR 128 Ca 0.51 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1gx4 s THR 128 Cb -0.11 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1gx4 s THR 128 CO 0.48 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.96 1gx4 s VAL 129 N -0.54 2.31 0.23 3.82 1.01 -0.62 -1.18 120.40 125.43 1gx4 s VAL 129 Ca 0.08 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1gx4 s VAL 129 Cb -0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1gx4 s VAL 129 CO -0.01 0.56 0.31 -0.83 0.00 0.00 0.00 175.10 175.14 1gx4 s GLY 130 N 0.01 1.34 -0.14 4.51 0.00 -0.32 -2.05 107.32 110.68 1gx4 s GLY 130 Ca -0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1gx4 s GLY 130 CO 0.05 -1.25 0.19 -2.27 0.00 0.00 0.00 173.10 169.82 1gx4 s LEU 131 N -3.81 -0.09 0.02 0.66 2.96 -0.78 -1.44 118.68 116.21 1gx4 s LEU 131 Ca 0.34 0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 1gx4 s LEU 131 Cb -0.09 0.33 -0.06 0.00 0.50 0.00 0.00 46.19 46.87 1gx4 s LEU 131 CO 0.28 -0.28 0.40 0.42 -1.32 0.00 0.00 176.35 175.85 1gx4 s THR 132 N 2.31 5.06 -0.09 3.68 -4.23 -0.40 -1.04 115.64 120.93 1gx4 s THR 132 Ca 0.04 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.20 1gx4 s THR 132 Cb -0.14 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1gx4 s THR 132 CO -0.09 0.49 0.23 0.54 -0.54 0.00 0.00 174.62 175.25 1gx4 s VAL 133 N -1.18 -0.02 -0.11 2.29 0.11 -0.70 -2.12 120.40 118.68 1gx4 s VAL 133 Ca 0.26 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1gx4 s VAL 133 Cb -0.16 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1gx4 s VAL 133 CO 0.14 0.03 0.01 -0.36 -3.33 0.00 0.00 175.10 171.59 1gx4 s PHE 134 N 0.63 3.18 -0.17 1.54 0.40 -1.26 -1.26 117.98 121.04 1gx4 s PHE 134 Ca -0.04 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1gx4 s PHE 134 Cb -0.06 -1.85 0.07 0.00 0.51 0.00 0.00 43.02 41.69 1gx4 s PHE 134 CO -0.04 0.38 0.15 0.00 0.70 0.00 0.00 175.22 176.42 1gx4 s ALA 135 N -0.58 0.05 -0.09 5.36 0.00 -0.24 -4.38 121.76 121.87 1gx4 s ALA 135 Ca 0.10 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1gx4 s ALA 135 Cb -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1gx4 s ALA 135 CO 0.02 -1.10 -0.22 0.08 0.00 0.00 0.00 175.76 174.54 1gx4 s VAL 136 N 2.24 1.92 0.00 0.00 1.01 -1.26 -3.76 120.40 120.55 1gx4 s VAL 136 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1gx4 s VAL 136 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1gx4 s VAL 136 CO -0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1gx4 n GLY 137 N 3.54 0.24 0.00 4.51 0.00 -1.26 -3.66 105.19 108.56 1gx4 n GLY 137 Ca -0.20 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 44.97 1gx4 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gx4 n ARG 138 N 3.17 0.14 0.28 1.61 5.12 -1.26 -1.77 116.66 123.95 1gx4 n ARG 138 Ca 0.00 0.18 0.13 0.00 -1.93 0.00 0.00 57.85 56.23 1gx4 n ARG 138 Cb 0.00 -1.50 0.82 0.00 -1.16 0.00 0.00 32.46 30.62 1gx4 n ARG 138 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1gx4 h TYR 139 N 0.00 0.00 0.87 -1.55 0.05 -1.82 -1.93 116.97 112.60 1gx4 h TYR 139 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1gx4 h TYR 139 Cb 0.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.93 1gx4 h TYR 139 CO 0.00 0.05 -0.42 0.82 -1.05 0.00 0.00 178.16 177.56 1gx4 h ILE 140 N 0.00 0.08 -0.30 -2.88 2.04 -1.59 -2.01 117.51 112.85 1gx4 h ILE 140 Ca -0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1gx4 h ILE 140 Cb 0.14 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1gx4 h ILE 140 CO 0.01 0.00 -0.00 -0.33 0.00 0.00 0.00 178.15 177.83 1gx4 h GLU 141 N -1.25 0.45 0.11 2.37 3.07 -1.76 -2.21 114.58 115.36 1gx4 h GLU 141 Ca -0.12 -0.09 -0.27 0.00 -0.50 0.00 0.00 59.36 58.38 1gx4 h GLU 141 Cb 0.90 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1gx4 h GLU 141 CO 0.20 0.48 -1.18 0.45 -1.40 0.00 0.00 179.01 177.55 1gx4 h HIS 142 N 0.43 0.65 0.00 4.33 3.86 -1.35 -3.43 115.15 119.64 1gx4 h HIS 142 Ca 0.10 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1gx4 h HIS 142 Cb 0.29 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1gx4 h HIS 142 CO 0.01 1.30 -0.48 0.66 0.86 0.00 0.00 177.93 180.28 1gx4 n TYR 143 N -3.65 0.00 -0.08 2.45 0.53 -0.76 -4.85 117.16 110.80 1gx4 n TYR 143 Ca -0.10 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.65 1gx4 n TYR 143 Cb 0.97 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.23 1gx4 n TYR 143 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1gx4 h LEU 144 N 0.00 0.71 -0.05 7.72 5.85 -1.38 -1.54 115.31 126.62 1gx4 h LEU 144 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1gx4 h LEU 144 Cb 0.17 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1gx4 h LEU 144 CO 0.00 1.06 0.01 -0.08 -0.34 0.00 0.00 178.44 179.09 1gx4 h GLU 145 N 0.38 0.04 -0.57 1.25 4.81 -1.90 -1.15 114.58 117.44 1gx4 h GLU 145 Ca 0.04 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1gx4 h GLU 145 Cb 0.88 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1gx4 h GLU 145 CO 0.07 0.02 0.13 0.93 -0.73 0.00 0.00 179.01 179.43 1gx4 h GLU 146 N 0.04 0.89 0.41 1.92 5.08 -1.86 -0.73 114.58 120.33 1gx4 h GLU 146 Ca 0.02 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1gx4 h GLU 146 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1gx4 h GLU 146 CO -0.02 0.81 -0.27 0.35 -1.00 0.00 0.00 179.01 178.87 1gx4 h PHE 147 N 0.85 -0.72 -0.57 4.33 3.57 -1.03 -2.55 116.94 120.82 1gx4 h PHE 147 Ca 0.18 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1gx4 h PHE 147 Cb 0.33 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1gx4 h PHE 147 CO 0.02 -0.41 0.04 -0.07 -2.23 0.00 0.00 178.31 175.66 1gx4 h LEU 148 N -0.66 0.92 -0.65 0.59 3.38 -1.00 -0.56 115.31 117.33 1gx4 h LEU 148 Ca -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1gx4 h LEU 148 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1gx4 h LEU 148 CO 0.03 0.96 0.33 0.74 0.09 0.00 0.00 178.44 180.59 1gx4 h THR 149 N 0.89 1.21 -0.21 0.22 2.02 -1.17 -0.72 112.91 115.15 1gx4 h THR 149 Ca 0.17 -0.57 -0.17 0.00 0.77 0.00 0.00 66.41 66.60 1gx4 h THR 149 Cb 0.46 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1gx4 h THR 149 CO 0.02 0.24 -0.57 0.77 0.37 0.00 0.00 175.52 176.35 1gx4 h SER 150 N 0.89 0.75 -0.74 4.18 4.64 -1.28 -2.95 113.55 119.03 1gx4 h SER 150 Ca 0.23 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 1gx4 h SER 150 Cb 0.08 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1gx4 h SER 150 CO -0.03 1.16 0.39 0.00 -0.87 0.00 0.00 176.83 177.47 1gx4 h ALA 151 N 0.85 0.95 -0.91 5.18 0.00 -0.90 -1.89 119.26 122.55 1gx4 h ALA 151 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1gx4 h ALA 151 Cb 1.15 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1gx4 h ALA 151 CO 0.11 0.48 0.57 -0.97 0.00 0.00 0.00 179.25 179.45 1gx4 h ASN 152 N 1.03 0.88 0.30 0.00 -1.24 -1.06 -1.51 115.58 113.98 1gx4 h ASN 152 Ca 0.26 0.02 -0.21 0.00 0.71 0.00 0.00 56.30 57.09 1gx4 h ASN 152 Cb 0.07 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 1gx4 h ASN 152 CO -0.04 0.55 -0.84 0.50 -1.29 0.00 0.00 177.43 176.31 1gx4 h LYS 153 N 1.01 0.41 0.00 6.67 3.64 -1.31 -3.42 116.57 123.57 1gx4 h LYS 153 Ca 0.41 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1gx4 h LYS 153 Cb 0.23 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1gx4 h LYS 153 CO -0.19 1.04 -0.62 0.72 -2.27 0.00 0.00 179.45 178.13 1gx4 n HIS 154 N -3.79 0.00 -3.00 1.91 8.25 -0.74 -4.91 115.22 112.95 1gx4 n HIS 154 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1gx4 n HIS 154 Cb 0.77 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.83 1gx4 n HIS 154 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1gx4 s PHE 155 N -1.51 3.16 -1.49 4.41 5.36 -0.59 -1.70 117.98 125.62 1gx4 s PHE 155 Ca 0.00 0.60 -0.10 0.00 -0.96 0.00 0.00 56.93 56.48 1gx4 s PHE 155 Cb 0.00 -3.24 0.07 0.00 -0.34 0.00 0.00 43.02 39.50 1gx4 s PHE 155 CO 0.00 -0.63 0.83 -1.33 -1.46 0.00 0.00 175.22 172.64 1gx4 n MET 156 N 6.21 -4.86 -1.78 10.12 2.81 -0.32 -4.88 117.12 124.42 1gx4 n MET 156 Ca 0.02 0.55 -0.41 0.00 -1.81 0.00 0.00 57.70 56.05 1gx4 n MET 156 Cb 0.48 -5.26 -0.01 0.00 -0.71 0.00 0.00 33.22 27.72 1gx4 n MET 156 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1gx4 s VAL 157 N -3.46 2.05 0.00 2.03 1.01 -1.26 -2.27 120.40 118.50 1gx4 s VAL 157 Ca 0.45 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1gx4 s VAL 157 Cb -0.23 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1gx4 s VAL 157 CO 0.84 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1gx4 n GLY 158 N 1.67 0.41 3.18 4.51 0.00 -1.26 -4.99 105.19 108.71 1gx4 n GLY 158 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1gx4 n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gx4 s HIS 159 N -2.13 1.28 0.27 1.61 4.02 -0.96 -5.02 115.29 114.36 1gx4 s HIS 159 Ca 0.00 -0.44 -0.30 0.00 1.02 0.00 0.00 55.06 55.34 1gx4 s HIS 159 Cb 0.00 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.58 30.73 1gx4 s HIS 159 CO 0.00 0.07 1.58 -2.14 1.02 0.00 0.00 174.74 175.27 1gx4 s PRO 160 N -1.68 4.15 -0.00 8.40 0.02 -1.26 -4.82 135.00 139.82 1gx4 s PRO 160 Ca -0.01 2.52 0.04 0.00 0.02 0.00 0.00 61.00 63.58 1gx4 s PRO 160 Cb -0.10 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1gx4 s PRO 160 CO 0.02 -0.61 -0.14 0.08 -0.33 0.00 0.00 177.00 176.03 1gx4 s VAL 161 N 0.18 1.07 -0.16 3.83 1.01 -0.20 -1.58 120.40 124.54 1gx4 s VAL 161 Ca 0.64 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1gx4 s VAL 161 Cb -0.47 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1gx4 s VAL 161 CO 0.45 0.25 -0.21 -0.63 0.00 0.00 0.00 175.10 174.96 1gx4 s ILE 162 N -0.41 2.10 -0.18 2.22 1.01 -0.87 -2.29 121.20 122.78 1gx4 s ILE 162 Ca 0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 1gx4 s ILE 162 Cb -0.06 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1gx4 s ILE 162 CO -0.00 0.54 0.55 -0.36 0.00 0.00 0.00 174.94 175.67 1gx4 s PHE 163 N 1.06 3.41 -0.33 3.97 2.99 -0.60 -1.86 117.98 126.62 1gx4 s PHE 163 Ca -0.01 0.86 -0.07 0.00 0.00 0.00 0.00 56.93 57.71 1gx4 s PHE 163 Cb -0.14 -2.69 0.03 0.00 0.00 0.00 0.00 43.02 40.21 1gx4 s PHE 163 CO -0.07 -0.06 0.12 0.71 -0.00 0.00 0.00 175.22 175.91 1gx4 s TYR 164 N 1.49 3.22 -0.20 0.36 1.51 -0.21 -1.62 117.35 121.91 1gx4 s TYR 164 Ca 0.26 -1.21 -0.05 0.00 -1.01 0.00 0.00 57.07 55.07 1gx4 s TYR 164 Cb -0.16 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.37 1gx4 s TYR 164 CO 0.10 -0.67 -0.01 0.42 -1.11 0.00 0.00 175.55 174.28 1gx4 s ILE 165 N 1.46 3.83 -0.25 2.71 1.01 -0.69 -1.72 121.20 127.54 1gx4 s ILE 165 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1gx4 s ILE 165 Cb -0.19 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1gx4 s ILE 165 CO 0.03 0.43 -0.01 -0.04 0.00 0.00 0.00 174.94 175.36 1gx4 s MET 166 N 1.05 3.09 0.08 2.79 -1.94 -0.39 -1.33 119.30 122.67 1gx4 s MET 166 Ca 0.02 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 1gx4 s MET 166 Cb -0.14 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 1gx4 s MET 166 CO 0.01 -0.35 -0.07 0.14 -0.01 0.00 0.00 175.02 174.74 1gx4 s VAL 167 N 1.43 0.66 -0.53 -6.03 -7.23 -0.63 -1.08 120.40 107.00 1gx4 s VAL 167 Ca 0.03 -1.72 0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1gx4 s VAL 167 Cb -0.16 -1.41 0.10 0.00 0.56 0.00 0.00 36.38 35.47 1gx4 s VAL 167 CO -0.02 -0.74 1.35 -2.24 -0.31 0.00 0.00 175.10 173.13 1gx4 h ASP 168 N 3.36 0.00 -2.63 4.85 2.03 -1.73 0.24 116.42 122.54 1gx4 h ASP 168 Ca -0.35 -0.11 -0.48 0.00 -0.73 0.00 0.00 57.03 55.36 1gx4 h ASP 168 Cb 1.17 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 39.29 1gx4 h ASP 168 CO 0.58 0.05 -0.74 -0.62 -1.03 0.00 0.00 179.24 177.49 1gx4 s ASP 169 N -4.80 3.03 0.52 4.15 -1.08 -1.26 -4.72 116.67 112.50 1gx4 s ASP 169 Ca 0.05 -1.13 0.30 0.00 -0.52 0.00 0.00 52.55 51.25 1gx4 s ASP 169 Cb 0.11 -0.13 1.21 0.00 -1.46 0.00 0.00 42.92 42.65 1gx4 s ASP 169 CO 0.72 -0.42 1.93 0.58 0.52 0.00 0.00 175.17 178.49 1gx4 h VAL 170 N 6.37 0.18 0.00 1.11 2.07 -1.94 -2.23 116.25 121.81 1gx4 h VAL 170 Ca -0.18 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1gx4 h VAL 170 Cb 1.03 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1gx4 h VAL 170 CO 0.41 0.07 0.00 0.77 0.02 0.00 0.00 177.57 178.84 1gx4 h SER 171 N 0.00 0.00 -0.61 0.57 4.64 -2.00 -2.26 113.55 113.89 1gx4 h SER 171 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gx4 h SER 171 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1gx4 h SER 171 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1gx4 n ARG 172 N -2.45 2.65 -2.57 4.77 1.74 -0.84 -4.98 116.66 114.98 1gx4 n ARG 172 Ca 0.01 -2.55 -0.42 0.00 -0.77 0.00 0.00 57.85 54.12 1gx4 n ARG 172 Cb 0.20 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1gx4 n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gx4 s MET 173 N -1.19 4.51 -0.20 5.56 0.23 -0.85 -4.86 119.30 122.50 1gx4 s MET 173 Ca 0.46 1.59 -0.29 0.00 -1.03 0.00 0.00 55.69 56.42 1gx4 s MET 173 Cb 0.25 -3.39 -0.00 0.00 -1.53 0.00 0.00 34.83 30.15 1gx4 s MET 173 CO 0.33 -0.12 1.17 -1.25 -2.03 0.00 0.00 175.02 173.12 1gx4 s PRO 174 N 0.90 4.24 -1.14 3.16 0.04 -1.26 -4.96 135.00 135.98 1gx4 s PRO 174 Ca 0.55 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 1gx4 s PRO 174 Cb -0.25 -3.71 0.26 0.00 0.04 0.00 0.00 34.50 30.84 1gx4 s PRO 174 CO 0.29 -0.68 1.50 1.28 0.04 0.00 0.00 177.00 179.43 1gx4 n LEU 175 N 6.50 6.24 -4.72 -3.56 4.77 -1.26 -4.95 117.00 120.02 1gx4 n LEU 175 Ca 0.13 -5.01 -0.30 0.00 -0.03 0.00 0.00 56.01 50.80 1gx4 n LEU 175 Cb 0.45 -1.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.30 1gx4 n LEU 175 CO 0.54 1.50 0.67 0.27 -1.33 0.00 0.00 177.39 179.04 1gx4 s ILE 176 N -1.55 2.79 0.09 -0.08 -4.36 -1.26 -5.02 121.20 111.81 1gx4 s ILE 176 Ca 0.34 0.26 -0.30 0.00 -0.26 0.00 0.00 60.65 60.68 1gx4 s ILE 176 Cb 0.03 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1gx4 s ILE 176 CO 0.05 -0.34 0.97 -0.70 0.24 0.00 0.00 174.94 175.16 1gx4 s GLU 177 N -4.87 4.67 0.13 0.37 2.12 -1.26 -5.05 118.70 114.81 1gx4 s GLU 177 Ca 0.63 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.44 1gx4 s GLU 177 Cb -0.18 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1gx4 s GLU 177 CO 0.57 0.16 0.20 -0.51 -0.54 0.00 0.00 175.26 175.14 1gx4 s LEU 178 N 0.19 4.10 0.00 2.70 1.43 -1.26 -5.03 118.68 120.81 1gx4 s LEU 178 Ca 0.48 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1gx4 s LEU 178 Cb -0.23 -2.70 0.13 0.00 0.03 0.00 0.00 46.19 43.42 1gx4 s LEU 178 CO 0.30 0.09 0.96 0.61 0.23 0.00 0.00 176.35 178.54 1gx4 n GLY 179 N -0.26 0.97 3.62 -3.19 0.00 -1.26 -4.99 105.19 100.08 1gx4 n GLY 179 Ca -0.07 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.40 1gx4 n GLY 179 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gx4 n PRO 180 N -2.73 1.53 -1.07 1.61 -0.02 -1.26 -2.11 135.00 130.95 1gx4 n PRO 180 Ca 0.17 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1gx4 n PRO 180 Cb 0.60 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1gx4 n PRO 180 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gx4 n LEU 181 N 2.06 0.18 -4.65 2.45 4.77 -1.26 -4.90 117.00 115.65 1gx4 n LEU 181 Ca 0.13 0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.85 1gx4 n LEU 181 Cb 0.28 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 39.80 1gx4 n LEU 181 CO 0.62 -0.48 -0.35 -0.13 -1.33 0.00 0.00 177.39 175.72 1gx4 s ARG 182 N -1.39 2.70 0.27 3.23 3.00 -0.90 -1.04 118.95 124.82 1gx4 s ARG 182 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 55.73 54.96 1gx4 s ARG 182 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 34.95 32.35 1gx4 s ARG 182 CO 0.00 0.62 0.50 -1.54 0.00 0.00 0.00 175.30 174.87 1gx4 s SER 183 N -1.50 0.06 0.24 0.23 1.04 -0.97 -4.76 113.70 108.05 1gx4 s SER 183 Ca 0.18 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 1gx4 s SER 183 Cb -0.11 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1gx4 s SER 183 CO 0.09 -1.20 0.37 0.72 0.98 0.00 0.00 173.24 174.21 1gx4 s PHE 184 N -3.77 0.65 0.04 5.02 -0.12 -1.26 -1.56 117.98 116.98 1gx4 s PHE 184 Ca 0.23 -0.96 -0.17 0.00 -0.05 0.00 0.00 56.93 55.98 1gx4 s PHE 184 Cb -0.01 -0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1gx4 s PHE 184 CO 0.11 -0.90 0.38 -1.59 -0.05 0.00 0.00 175.22 173.17 1gx4 s LYS 185 N -4.00 0.88 -0.03 1.99 -2.85 -0.64 -4.94 119.74 110.15 1gx4 s LYS 185 Ca 0.28 -0.38 0.07 0.00 -1.00 0.00 0.00 55.97 54.94 1gx4 s LYS 185 Cb 0.02 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1gx4 s LYS 185 CO 0.11 -0.29 -0.24 0.08 0.10 0.00 0.00 175.35 175.10 1gx4 s VAL 186 N -2.39 1.93 -0.02 1.79 1.01 -1.26 -1.70 120.40 119.75 1gx4 s VAL 186 Ca -0.06 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1gx4 s VAL 186 Cb -0.01 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1gx4 s VAL 186 CO -0.02 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 1gx4 s PHE 187 N -0.38 1.78 -0.17 5.22 0.40 -0.44 -4.97 117.98 119.42 1gx4 s PHE 187 Ca 0.04 -0.36 -0.23 0.00 -0.60 0.00 0.00 56.93 55.78 1gx4 s PHE 187 Cb -0.11 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1gx4 s PHE 187 CO 0.01 -0.05 0.71 0.21 0.70 0.00 0.00 175.22 176.80 1gx4 s LYS 188 N -0.41 4.27 0.31 0.44 2.20 -1.26 -1.60 119.74 123.69 1gx4 s LYS 188 Ca 0.06 0.79 0.10 0.00 -0.36 0.00 0.00 55.97 56.56 1gx4 s LYS 188 Cb -0.08 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1gx4 s LYS 188 CO -0.00 -0.24 -0.07 0.96 -0.36 0.00 0.00 175.35 175.64 1gx4 s ILE 189 N 1.88 2.66 0.14 5.43 -4.36 0.07 -4.94 121.20 122.08 1gx4 s ILE 189 Ca 0.33 -2.12 -0.30 0.00 -0.26 0.00 0.00 60.65 58.30 1gx4 s ILE 189 Cb -0.16 -2.65 -0.07 0.00 1.25 0.00 0.00 42.46 40.83 1gx4 s ILE 189 CO 0.12 -0.28 1.17 -0.75 0.24 0.00 0.00 174.94 175.44 1gx4 s LYS 190 N -3.64 4.50 -0.24 0.37 2.20 -1.26 -4.21 119.74 117.46 1gx4 s LYS 190 Ca 0.33 1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 57.45 1gx4 s LYS 190 Cb -0.02 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1gx4 s LYS 190 CO 0.18 -0.10 1.00 -1.25 -0.36 0.00 0.00 175.35 174.82 1gx4 s PRO 191 N 0.15 4.23 0.69 4.03 0.04 -1.26 -4.98 135.00 137.90 1gx4 s PRO 191 Ca 0.54 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1gx4 s PRO 191 Cb -0.31 -3.65 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1gx4 s PRO 191 CO 0.34 -0.63 1.08 -1.21 0.04 0.00 0.00 177.00 176.62 1gx4 s GLU 192 N 3.16 2.76 0.17 4.56 0.41 -1.26 -4.96 118.70 123.54 1gx4 s GLU 192 Ca 0.42 1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 56.10 1gx4 s GLU 192 Cb -0.15 -1.96 0.05 0.00 -1.78 0.00 0.00 34.13 30.29 1gx4 s GLU 192 CO 0.07 -1.25 1.49 0.87 -0.49 0.00 0.00 175.26 175.94 1gx4 h LYS 193 N -0.44 0.72 -5.53 1.61 1.57 -1.96 -3.44 116.57 109.09 1gx4 h LYS 193 Ca -0.45 -0.42 -0.65 0.00 -1.87 0.00 0.00 60.65 57.26 1gx4 h LYS 193 Cb 1.23 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1gx4 h LYS 193 CO 0.54 1.05 -0.50 1.03 -0.57 0.00 0.00 179.45 181.00 1gx4 s ARG 194 N -4.14 3.67 0.45 3.15 0.52 -1.26 -4.87 118.95 116.48 1gx4 s ARG 194 Ca -0.09 -0.19 0.18 0.00 -0.52 0.00 0.00 55.73 55.12 1gx4 s ARG 194 Cb 0.11 -3.24 1.14 0.00 0.52 0.00 0.00 34.95 33.49 1gx4 s ARG 194 CO 0.86 0.60 1.95 0.11 0.02 0.00 0.00 175.30 178.84 1gx4 h TRP 195 N 5.60 0.35 -0.76 -0.53 5.08 -1.90 -1.00 115.95 122.79 1gx4 h TRP 195 Ca -0.49 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.45 1gx4 h TRP 195 Cb 1.20 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 27.21 1gx4 h TRP 195 CO 0.69 0.14 0.34 1.96 -1.28 0.00 0.00 178.44 180.28 1gx4 h GLN 196 N 0.31 1.11 0.00 0.12 7.50 -1.96 -1.75 115.11 120.44 1gx4 h GLN 196 Ca 0.33 -0.17 -0.15 0.00 0.50 0.00 0.00 58.65 59.15 1gx4 h GLN 196 Cb 0.86 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 1gx4 h GLN 196 CO -0.08 0.88 -0.73 -0.44 -1.50 0.00 0.00 178.83 176.95 1gx4 h ASP 197 N 1.10 0.00 -0.32 1.46 3.32 -1.62 -1.85 116.42 118.50 1gx4 h ASP 197 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1gx4 h ASP 197 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1gx4 h ASP 197 CO -0.03 0.73 0.21 0.40 -1.72 0.00 0.00 179.24 178.83 1gx4 h ILE 198 N 0.00 1.09 -0.33 0.35 2.04 -0.73 -0.80 117.51 119.14 1gx4 h ILE 198 Ca -0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1gx4 h ILE 198 Cb 1.41 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1gx4 h ILE 198 CO 0.10 0.09 0.13 -1.28 0.00 0.00 0.00 178.15 177.19 1gx4 h SER 199 N 0.43 0.46 0.39 1.72 0.87 -1.24 -3.24 113.55 112.94 1gx4 h SER 199 Ca 0.12 -0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 1gx4 h SER 199 Cb -0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1gx4 h SER 199 CO -0.02 0.50 -0.73 0.24 -0.53 0.00 0.00 176.83 176.29 1gx4 h MET 200 N 0.39 0.28 0.00 2.24 2.86 -1.25 -3.15 114.93 116.30 1gx4 h MET 200 Ca 0.11 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1gx4 h MET 200 Cb 0.18 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1gx4 h MET 200 CO -0.01 0.89 0.00 0.52 1.06 0.00 0.00 176.91 179.37 1gx4 h MET 201 N 0.19 0.00 -0.95 1.72 2.07 -1.16 -2.34 114.93 114.45 1gx4 h MET 201 Ca -0.03 0.00 0.19 0.00 -2.07 0.00 0.00 59.70 57.80 1gx4 h MET 201 Cb 1.29 0.00 -0.08 0.00 -1.87 0.00 0.00 31.60 30.94 1gx4 h MET 201 CO 0.12 0.00 0.61 0.00 1.07 0.00 0.00 176.91 178.70 1gx4 h ARG 202 N 0.00 0.55 -0.53 1.72 3.08 -1.59 -1.82 114.38 115.80 1gx4 h ARG 202 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1gx4 h ARG 202 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1gx4 h ARG 202 CO 0.00 0.36 0.34 0.52 -1.07 0.00 0.00 179.97 180.12 1gx4 h MET 203 N 0.57 0.71 0.10 0.04 2.86 -1.65 0.08 114.93 117.64 1gx4 h MET 203 Ca 0.51 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1gx4 h MET 203 Cb 1.04 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1gx4 h MET 203 CO -0.25 0.49 -0.05 -0.22 1.06 0.00 0.00 176.91 177.94 1gx4 h LYS 204 N 0.72 -0.13 -0.57 1.72 3.64 -1.54 -3.05 116.57 117.35 1gx4 h LYS 204 Ca 0.19 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1gx4 h LYS 204 Cb -0.05 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1gx4 h LYS 204 CO -0.04 0.07 0.34 1.15 -2.27 0.00 0.00 179.45 178.70 1gx4 h THR 205 N -0.31 1.18 -0.50 1.00 2.02 -1.16 -2.20 112.91 112.93 1gx4 h THR 205 Ca -0.01 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1gx4 h THR 205 Cb 0.26 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1gx4 h THR 205 CO 0.02 0.18 0.33 0.40 0.37 0.00 0.00 175.52 176.82 1gx4 h ILE 206 N 0.77 1.12 -0.76 3.11 2.04 -1.04 -1.79 117.51 120.96 1gx4 h ILE 206 Ca 0.20 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gx4 h ILE 206 Cb -0.00 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1gx4 h ILE 206 CO -0.04 0.12 0.42 1.23 0.00 0.00 0.00 178.15 179.88 1gx4 h GLY 207 N 0.67 1.14 0.78 5.37 0.00 -1.39 -0.32 103.07 109.32 1gx4 h GLY 207 Ca 0.18 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1gx4 h GLY 207 CO -0.04 0.49 0.43 0.83 0.00 0.00 0.00 176.54 178.25 1gx4 h GLU 208 N 1.06 0.78 -0.07 4.80 5.08 -1.01 -2.03 114.58 123.20 1gx4 h GLU 208 Ca 0.27 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1gx4 h GLU 208 Cb 0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1gx4 h GLU 208 CO -0.04 0.52 -0.51 0.45 -1.00 0.00 0.00 179.01 178.42 1gx4 h HIS 209 N 0.81 0.22 -0.22 4.33 3.86 -0.73 -1.64 115.15 121.78 1gx4 h HIS 209 Ca 0.30 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1gx4 h HIS 209 Cb 0.10 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1gx4 h HIS 209 CO -0.05 0.66 0.06 0.82 0.86 0.00 0.00 177.93 180.28 1gx4 h ILE 210 N 0.14 1.20 -0.58 2.45 2.04 -0.56 -0.99 117.51 121.20 1gx4 h ILE 210 Ca 0.00 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1gx4 h ILE 210 Cb 0.96 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1gx4 h ILE 210 CO 0.08 0.20 0.14 0.58 0.00 0.00 0.00 178.15 179.14 1gx4 h VAL 211 N 0.18 1.25 -0.07 1.67 2.07 -1.26 -1.80 116.25 118.29 1gx4 h VAL 211 Ca 0.07 -0.90 -0.20 0.00 0.82 0.00 0.00 66.70 66.49 1gx4 h VAL 211 Cb 0.25 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1gx4 h VAL 211 CO -0.00 0.33 -0.80 0.00 0.02 0.00 0.00 177.57 177.13 1gx4 h ALA 212 N 1.02 0.49 0.00 1.67 0.00 -1.16 -3.45 119.26 117.83 1gx4 h ALA 212 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gx4 h ALA 212 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gx4 h ALA 212 CO 0.00 0.77 0.00 -2.39 0.00 0.00 0.00 179.25 177.63 1gx4 n HIS 213 N -3.83 0.00 -0.00 0.00 -0.00 -0.49 -4.96 115.22 105.94 1gx4 n HIS 213 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.66 1gx4 n HIS 213 Cb 0.75 0.00 0.28 0.00 -0.00 0.00 0.00 29.99 31.02 1gx4 n HIS 213 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1gx4 h ILE 214 N 0.00 1.20 -0.07 0.61 2.04 -1.22 -0.17 117.51 119.91 1gx4 h ILE 214 Ca 0.00 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1gx4 h ILE 214 Cb 0.00 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1gx4 h ILE 214 CO 0.00 0.28 0.09 0.06 0.00 0.00 0.00 178.15 178.58 1gx4 h GLN 215 N 0.50 0.00 -0.00 2.37 3.07 -1.56 -1.46 115.11 118.03 1gx4 h GLN 215 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1gx4 h GLN 215 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1gx4 h GLN 215 CO 0.01 0.00 -0.54 0.72 0.09 0.00 0.00 178.83 179.11 1gx4 n HIS 216 N -3.73 0.00 -0.04 0.06 8.25 -0.09 -4.53 115.22 115.14 1gx4 n HIS 216 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1gx4 n HIS 216 Cb 0.18 -0.23 -0.08 0.00 1.12 0.00 0.00 29.99 30.99 1gx4 n HIS 216 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1gx4 n GLU 217 N -1.50 2.28 -4.16 -0.41 1.02 -0.57 -5.06 120.64 112.24 1gx4 n GLU 217 Ca 0.05 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1gx4 n GLU 217 Cb 0.33 -1.24 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1gx4 n GLU 217 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gx4 s VAL 218 N -2.27 0.59 -0.10 2.62 -7.23 -1.06 -4.82 120.40 108.13 1gx4 s VAL 218 Ca -0.05 -1.92 0.16 0.00 -1.81 0.00 0.00 61.98 58.37 1gx4 s VAL 218 Cb 0.03 -1.70 -0.18 0.00 0.56 0.00 0.00 36.38 35.09 1gx4 s VAL 218 CO 0.39 -0.85 0.68 0.47 -0.31 0.00 0.00 175.10 175.48 1gx4 n ASP 219 N -0.03 0.74 -3.86 4.85 8.00 -0.33 -4.82 116.55 121.11 1gx4 n ASP 219 Ca -0.12 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1gx4 n ASP 219 Cb 0.61 0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 1gx4 n ASP 219 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1gx4 s PHE 220 N -2.80 -0.02 -0.03 1.24 0.40 -1.24 -4.36 117.98 111.16 1gx4 s PHE 220 Ca -0.04 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1gx4 s PHE 220 Cb 0.08 -0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.60 1gx4 s PHE 220 CO 0.82 -0.24 -0.11 -1.17 0.70 0.00 0.00 175.22 175.22 1gx4 s LEU 221 N -1.01 1.80 0.03 -0.37 2.96 0.13 -1.17 118.68 121.05 1gx4 s LEU 221 Ca -0.11 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1gx4 s LEU 221 Cb -0.06 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1gx4 s LEU 221 CO 0.01 0.08 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.75 1gx4 s PHE 222 N 0.19 3.01 -0.18 5.38 0.08 -0.52 -1.44 117.98 124.50 1gx4 s PHE 222 Ca -0.04 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1gx4 s PHE 222 Cb -0.10 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 1gx4 s PHE 222 CO 0.01 0.45 -0.16 0.00 -0.10 0.00 0.00 175.22 175.43 1gx4 s MET 224 N 1.36 0.92 0.66 0.00 -1.94 -0.90 -2.25 119.30 117.15 1gx4 s MET 224 Ca 0.03 -0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 52.98 1gx4 s MET 224 Cb -0.14 -0.95 0.00 0.00 2.01 0.00 0.00 34.83 35.75 1gx4 s MET 224 CO -0.11 0.23 1.23 -0.51 -0.01 0.00 0.00 175.02 175.85 1gx4 s ASP 225 N -1.40 4.63 0.24 3.03 1.11 -0.65 -4.36 116.67 119.27 1gx4 s ASP 225 Ca 0.01 2.45 0.23 0.00 0.18 0.00 0.00 52.55 55.41 1gx4 s ASP 225 Cb -0.09 -2.60 0.14 0.00 1.07 0.00 0.00 42.92 41.44 1gx4 s ASP 225 CO 0.02 -1.97 1.22 1.62 1.18 0.00 0.00 175.17 177.24 1gx4 h VAL 226 N 0.33 0.00 -0.61 -1.27 3.04 -1.93 -3.41 116.25 112.41 1gx4 h VAL 226 Ca -0.50 -0.91 -0.46 0.00 -1.01 0.00 0.00 66.70 63.82 1gx4 h VAL 226 Cb 1.31 1.54 -0.11 0.00 -2.01 0.00 0.00 31.29 32.02 1gx4 h VAL 226 CO 0.52 0.00 0.88 -0.90 -1.01 0.00 0.00 177.57 177.07 1gx4 n ASP 227 N -2.67 6.61 -3.61 3.17 5.75 -1.26 -4.68 116.55 119.86 1gx4 n ASP 227 Ca 0.01 -2.89 -0.10 0.00 -0.01 0.00 0.00 54.79 51.81 1gx4 n ASP 227 Cb 0.53 -1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.24 1gx4 n ASP 227 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gx4 s GLN 228 N -0.28 1.47 -0.04 0.11 -2.07 -1.26 -1.53 119.66 116.06 1gx4 s GLN 228 Ca 0.62 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.48 1gx4 s GLN 228 Cb 0.31 0.59 0.02 0.00 -1.09 0.00 0.00 33.01 32.84 1gx4 s GLN 228 CO -0.11 -0.66 -0.04 0.08 -1.32 0.00 0.00 175.29 173.25 1gx4 s VAL 229 N -3.82 0.45 0.26 3.63 1.01 -0.47 -4.39 120.40 117.08 1gx4 s VAL 229 Ca 0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1gx4 s VAL 229 Cb -0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 1gx4 s VAL 229 CO -0.05 0.20 1.30 -0.36 0.00 0.00 0.00 175.10 176.19 1gx4 s PHE 230 N 0.85 3.19 -0.00 5.22 0.40 -1.26 -1.19 117.98 125.19 1gx4 s PHE 230 Ca -0.11 1.33 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1gx4 s PHE 230 Cb -0.14 -3.62 -0.00 0.00 0.51 0.00 0.00 43.02 39.77 1gx4 s PHE 230 CO -0.00 -1.80 0.01 1.04 0.70 0.00 0.00 175.22 175.17 1gx4 n GLN 231 N 1.73 0.87 -3.03 0.44 1.13 0.85 -4.86 117.38 114.51 1gx4 n GLN 231 Ca 0.03 -0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.04 1gx4 n GLN 231 Cb 0.42 -0.95 0.02 0.00 0.11 0.00 0.00 30.24 29.85 1gx4 n GLN 231 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1gx4 n ASP 232 N -1.45 -1.50 -4.71 1.08 -0.08 -1.10 -4.91 116.55 103.88 1gx4 n ASP 232 Ca -0.00 -1.97 -0.42 0.00 -1.51 0.00 0.00 54.79 50.89 1gx4 n ASP 232 Cb 0.01 2.48 -0.03 0.00 2.34 0.00 0.00 41.12 45.92 1gx4 n ASP 232 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1gx4 s LYS 233 N -2.05 4.15 -0.57 -0.67 -0.14 -1.26 -4.77 119.74 114.42 1gx4 s LYS 233 Ca 0.13 2.54 0.03 0.00 -1.36 0.00 0.00 55.97 57.31 1gx4 s LYS 233 Cb -0.03 -3.29 0.14 0.00 -1.68 0.00 0.00 37.83 32.97 1gx4 s LYS 233 CO 0.07 -0.76 0.33 0.12 -0.76 0.00 0.00 175.35 174.35 1gx4 s PHE 234 N 1.77 3.28 0.00 3.18 5.36 -0.69 -4.88 117.98 126.00 1gx4 s PHE 234 Ca 0.76 -3.12 0.00 0.00 -0.96 0.00 0.00 56.93 53.61 1gx4 s PHE 234 Cb -0.47 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 1gx4 s PHE 234 CO 0.33 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 1gx4 n GLY 235 N 3.01 5.38 0.06 13.12 0.00 -1.26 -1.17 105.19 124.33 1gx4 n GLY 235 Ca 0.08 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 44.09 1gx4 n GLY 235 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gx4 n VAL 236 N -0.09 1.11 0.25 1.61 0.24 -1.26 -1.76 118.33 118.43 1gx4 n VAL 236 Ca 0.00 0.34 0.16 0.00 -2.04 0.00 0.00 64.34 62.80 1gx4 n VAL 236 Cb 0.00 -1.22 0.86 0.00 -1.47 0.00 0.00 33.84 32.01 1gx4 n VAL 236 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1gx4 h GLU 237 N 0.00 0.00 -0.01 7.34 9.09 -1.94 -2.31 114.58 126.75 1gx4 h GLU 237 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1gx4 h GLU 237 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1gx4 h GLU 237 CO 0.00 0.00 -0.33 0.25 0.05 0.00 0.00 179.01 178.98 1gx4 n THR 238 N -2.63 0.00 -2.68 -1.06 -2.24 -0.72 -4.98 114.28 99.97 1gx4 n THR 238 Ca -0.02 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 1gx4 n THR 238 Cb 0.06 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1gx4 n THR 238 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gx4 s LEU 239 N -2.62 4.03 0.00 3.22 1.43 -0.87 -4.95 118.68 118.93 1gx4 s LEU 239 Ca 0.21 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1gx4 s LEU 239 Cb 0.19 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1gx4 s LEU 239 CO 0.57 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1gx4 n GLY 240 N -0.10 -0.37 0.08 -3.19 0.00 -1.26 -5.02 105.19 95.34 1gx4 n GLY 240 Ca 0.06 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1gx4 n GLY 240 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gx4 h GLU 241 N 0.00 0.12 -3.34 1.61 4.39 -1.93 -3.26 114.58 112.18 1gx4 h GLU 241 Ca 0.00 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.39 1gx4 h GLU 241 Cb 0.00 -0.03 -0.35 0.00 -0.10 0.00 0.00 28.75 28.27 1gx4 h GLU 241 CO 0.00 0.08 -0.69 -1.54 -1.16 0.00 0.00 179.01 175.70 1gx4 s SER 242 N -5.28 0.40 -0.10 1.42 1.04 -1.26 -1.79 113.70 108.13 1gx4 s SER 242 Ca -0.13 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1gx4 s SER 242 Cb 0.08 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1gx4 s SER 242 CO 0.68 -0.18 -0.17 -0.69 0.98 0.00 0.00 173.24 173.86 1gx4 s VAL 243 N 1.56 1.55 0.20 5.02 1.01 0.06 -0.91 120.40 128.90 1gx4 s VAL 243 Ca -0.04 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.35 1gx4 s VAL 243 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1gx4 s VAL 243 CO -0.04 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.32 1gx4 s ALA 244 N 0.75 2.69 -0.15 5.51 0.00 -0.79 -1.46 121.76 128.30 1gx4 s ALA 244 Ca -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 1gx4 s ALA 244 Cb -0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1gx4 s ALA 244 CO 0.02 0.41 -0.09 -1.14 0.00 0.00 0.00 175.76 174.96 1gx4 s GLN 245 N -2.85 3.44 0.05 0.00 2.00 -1.25 -0.76 119.66 120.28 1gx4 s GLN 245 Ca 0.23 -0.64 -0.31 0.00 -2.00 0.00 0.00 55.36 52.65 1gx4 s GLN 245 Cb -0.08 -2.77 -0.05 0.00 0.80 0.00 0.00 33.01 30.91 1gx4 s GLN 245 CO 0.12 0.13 1.19 -0.51 -0.50 0.00 0.00 175.29 175.72 1gx4 s LEU 246 N 0.59 4.37 0.11 3.68 1.43 -0.84 -1.17 118.68 126.85 1gx4 s LEU 246 Ca -0.06 1.99 -0.31 0.00 -1.03 0.00 0.00 54.13 54.73 1gx4 s LEU 246 Cb -0.15 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1gx4 s LEU 246 CO 0.03 -0.46 1.30 -1.58 0.23 0.00 0.00 176.35 175.87 1gx4 s GLN 247 N 1.10 4.38 0.39 1.70 -0.44 -0.91 -4.32 119.66 121.56 1gx4 s GLN 247 Ca 0.58 1.96 0.10 0.00 -2.50 0.00 0.00 55.36 55.50 1gx4 s GLN 247 Cb -0.29 -3.27 0.88 0.00 -1.64 0.00 0.00 33.01 28.69 1gx4 s GLN 247 CO 0.29 -0.33 1.95 0.00 0.50 0.00 0.00 175.29 177.69 1gx4 h ALA 248 N 6.51 1.87 0.00 1.58 0.00 -1.91 -2.42 119.26 124.90 1gx4 h ALA 248 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gx4 h ALA 248 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1gx4 h ALA 248 CO 0.83 -0.02 -0.16 0.91 0.00 0.00 0.00 179.25 180.80 1gx4 n TRP 249 N -4.49 0.10 -0.30 0.00 7.02 -1.26 -4.30 117.44 114.22 1gx4 n TRP 249 Ca 0.12 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 1gx4 n TRP 249 Cb 0.35 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 1gx4 n TRP 249 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1gx4 n TRP 250 N -1.59 0.00 0.26 -5.99 7.02 -0.92 -4.84 117.44 111.39 1gx4 n TRP 250 Ca 0.06 -0.03 0.14 0.00 -1.02 0.00 0.00 57.50 56.66 1gx4 n TRP 250 Cb 0.35 -0.00 0.70 0.00 -2.42 0.00 0.00 31.31 29.94 1gx4 n TRP 250 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1gx4 h TYR 251 N 0.00 0.00 -0.02 -5.99 -0.00 -1.72 -1.78 116.97 107.45 1gx4 h TYR 251 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1gx4 h TYR 251 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.92 1gx4 h TYR 251 CO 0.00 0.11 -0.29 1.63 -0.00 0.00 0.00 178.16 179.61 1gx4 n LYS 252 N -3.39 1.54 -1.79 0.10 5.02 -1.26 -5.01 118.16 113.37 1gx4 n LYS 252 Ca -0.01 -1.23 -0.31 0.00 -2.02 0.00 0.00 58.31 54.74 1gx4 n LYS 252 Cb 0.28 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1gx4 n LYS 252 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gx4 s ALA 253 N -2.31 2.97 0.29 7.82 0.00 -0.67 -5.06 121.76 124.80 1gx4 s ALA 253 Ca 0.23 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 1gx4 s ALA 253 Cb 0.19 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1gx4 s ALA 253 CO 0.47 -0.85 0.99 0.34 0.00 0.00 0.00 175.76 176.72 1gx4 s ASP 254 N -4.02 7.37 0.44 0.00 2.15 -1.26 -4.98 116.67 116.37 1gx4 s ASP 254 Ca 0.56 2.01 0.21 0.00 0.43 0.00 0.00 52.55 55.76 1gx4 s ASP 254 Cb -0.12 -2.60 1.18 0.00 -0.30 0.00 0.00 42.92 41.08 1gx4 s ASP 254 CO 0.54 -0.05 1.84 -0.65 -0.17 0.00 0.00 175.17 176.68 1gx4 h PRO 255 N 3.62 0.30 0.00 4.34 0.11 -1.90 -0.24 132.00 138.23 1gx4 h PRO 255 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gx4 h PRO 255 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1gx4 h PRO 255 CO 0.66 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.74 1gx4 n ASN 256 N -4.48 0.00 -0.02 -2.05 3.02 -1.26 -1.27 115.26 109.20 1gx4 n ASN 256 Ca 0.21 0.29 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 1gx4 n ASN 256 Cb 0.81 -0.40 0.09 0.00 -0.61 0.00 0.00 39.78 39.66 1gx4 n ASN 256 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gx4 n ASP 257 N -1.40 0.77 -4.76 6.41 8.00 -0.10 -4.99 116.55 120.48 1gx4 n ASP 257 Ca 0.06 -0.63 -0.37 0.00 0.71 0.00 0.00 54.79 54.56 1gx4 n ASP 257 Cb 0.16 0.58 0.01 0.00 -0.02 0.00 0.00 41.12 41.85 1gx4 n ASP 257 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1gx4 s PHE 258 N -2.97 2.66 -0.18 1.24 2.99 -0.40 -4.91 117.98 116.41 1gx4 s PHE 258 Ca 0.10 1.50 -0.04 0.00 0.00 0.00 0.00 56.93 58.49 1gx4 s PHE 258 Cb 0.17 -3.47 -0.09 0.00 0.00 0.00 0.00 43.02 39.62 1gx4 s PHE 258 CO 0.77 -1.91 3.06 0.25 -0.00 0.00 0.00 175.22 177.38 1gx4 n THR 259 N -0.84 3.00 -1.05 0.64 -2.24 -1.26 -4.95 114.28 107.58 1gx4 n THR 259 Ca 0.09 -1.94 -0.32 0.00 -2.27 0.00 0.00 64.05 59.61 1gx4 n THR 259 Cb 0.48 -1.76 0.13 0.00 -2.10 0.00 0.00 70.33 67.08 1gx4 n THR 259 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1gx4 s TYR 260 N -0.26 1.89 0.05 4.78 4.12 -1.26 -4.84 117.35 121.83 1gx4 s TYR 260 Ca 0.55 1.69 -0.30 0.00 0.02 0.00 0.00 57.07 59.03 1gx4 s TYR 260 Cb 0.31 -3.37 -0.08 0.00 -1.52 0.00 0.00 41.96 37.30 1gx4 s TYR 260 CO -0.08 -2.64 1.70 -2.00 0.02 0.00 0.00 175.55 172.56 1gx4 s GLU 261 N -4.38 4.18 0.00 -0.62 2.56 -1.26 -4.92 118.70 114.26 1gx4 s GLU 261 Ca 0.69 2.37 0.09 0.00 0.00 0.00 0.00 54.97 58.12 1gx4 s GLU 261 Cb -0.25 -3.71 0.18 0.00 2.00 0.00 0.00 34.13 32.35 1gx4 s GLU 261 CO 0.53 -0.78 1.02 0.54 -0.56 0.00 0.00 175.26 176.01 1gx4 n ARG 262 N 6.02 1.67 -3.26 4.30 5.12 -1.26 -1.76 116.66 127.48 1gx4 n ARG 262 Ca 0.17 -1.55 -0.39 0.00 -1.93 0.00 0.00 57.85 54.15 1gx4 n ARG 262 Cb 0.41 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 30.43 1gx4 n ARG 262 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1gx4 s ARG 263 N -0.91 4.18 0.22 5.56 0.52 -1.26 -4.93 118.95 122.33 1gx4 s ARG 263 Ca 0.16 0.39 0.21 0.00 -0.52 0.00 0.00 55.73 55.97 1gx4 s ARG 263 Cb 0.09 -3.56 0.92 0.00 0.52 0.00 0.00 34.95 32.92 1gx4 s ARG 263 CO 0.13 -0.15 1.65 0.36 0.02 0.00 0.00 175.30 177.31 1gx4 n LYS 264 N 4.80 0.15 0.07 3.54 2.85 -1.26 -1.93 118.16 126.38 1gx4 n LYS 264 Ca -0.05 0.42 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1gx4 n LYS 264 Cb 0.50 -1.81 0.45 0.00 -0.65 0.00 0.00 35.03 33.53 1gx4 n LYS 264 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1gx4 n GLU 265 N -2.10 0.14 -3.45 -1.58 4.71 -1.26 -4.79 120.64 112.30 1gx4 n GLU 265 Ca 0.02 0.25 -0.37 0.00 -0.01 0.00 0.00 57.16 57.04 1gx4 n GLU 265 Cb 0.20 -1.70 -0.06 0.00 -1.01 0.00 0.00 31.44 28.86 1gx4 n GLU 265 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1gx4 s SER 266 N -3.82 6.83 0.62 1.62 0.15 -0.81 -4.96 113.70 113.32 1gx4 s SER 266 Ca 0.08 1.01 0.32 0.00 0.70 0.00 0.00 55.95 58.06 1gx4 s SER 266 Cb 0.12 -2.26 1.76 0.00 -1.71 0.00 0.00 66.02 63.92 1gx4 s SER 266 CO 0.45 0.26 2.07 0.00 1.20 0.00 0.00 173.24 177.22 1gx4 h ALA 267 N 4.33 1.58 -0.07 5.45 0.00 -1.87 -2.33 119.26 126.35 1gx4 h ALA 267 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1gx4 h ALA 267 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1gx4 h ALA 267 CO 0.63 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1gx4 n ALA 268 N -2.16 2.56 -1.68 0.00 0.00 -1.26 -4.97 120.51 113.00 1gx4 n ALA 268 Ca 0.01 -0.46 -0.45 0.00 0.00 0.00 0.00 53.44 52.54 1gx4 n ALA 268 Cb 0.34 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1gx4 n ALA 268 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1gx4 n TYR 269 N 0.16 2.32 -3.99 0.00 9.36 -0.88 -4.47 117.16 119.66 1gx4 n TYR 269 Ca 0.18 0.28 -0.30 0.00 3.32 0.00 0.00 57.90 61.38 1gx4 n TYR 269 Cb 0.33 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.33 1gx4 n TYR 269 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1gx4 s ILE 270 N 0.73 1.52 0.66 2.97 1.01 -0.72 -5.00 121.20 122.37 1gx4 s ILE 270 Ca 0.76 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 1gx4 s ILE 270 Cb -0.65 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1gx4 s ILE 270 CO 0.40 0.27 1.18 -2.84 0.00 0.00 0.00 174.94 173.95 1gx4 s PRO 271 N 1.47 2.63 0.46 2.79 0.02 -1.26 -4.66 135.00 136.45 1gx4 s PRO 271 Ca 0.01 1.68 -0.24 0.00 0.02 0.00 0.00 61.00 62.48 1gx4 s PRO 271 Cb -0.15 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1gx4 s PRO 271 CO -0.09 -1.44 1.26 1.19 -0.33 0.00 0.00 177.00 177.60 1gx4 n PHE 272 N -2.21 2.06 -0.05 6.54 3.01 -1.26 -2.19 117.46 123.36 1gx4 n PHE 272 Ca 0.13 0.48 0.00 0.00 1.01 0.00 0.00 57.45 59.06 1gx4 n PHE 272 Cb 0.50 -2.35 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 1gx4 n PHE 272 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gx4 n GLY 273 N 0.84 0.70 3.45 1.37 0.00 -1.26 -5.06 105.19 105.24 1gx4 n GLY 273 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1gx4 n GLY 273 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gx4 s GLU 274 N -0.76 1.61 0.00 1.61 2.02 -0.93 -5.10 118.70 117.15 1gx4 s GLU 274 Ca 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.21 1gx4 s GLU 274 Cb 0.00 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1gx4 s GLU 274 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1gx4 n GLY 275 N -0.61 3.24 0.40 -1.39 0.00 -1.26 -4.83 105.19 100.74 1gx4 n GLY 275 Ca -0.06 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1gx4 n GLY 275 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gx4 n ASP 276 N 0.00 1.46 -4.06 1.61 8.00 -1.26 -4.88 116.55 117.42 1gx4 n ASP 276 Ca 0.00 0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 1gx4 n ASP 276 Cb 0.00 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 40.43 1gx4 n ASP 276 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1gx4 s PHE 277 N -2.44 0.66 -0.37 1.24 0.40 -1.26 -4.89 117.98 111.32 1gx4 s PHE 277 Ca -0.25 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 54.96 1gx4 s PHE 277 Cb 0.08 -0.24 0.02 0.00 0.51 0.00 0.00 43.02 43.38 1gx4 s PHE 277 CO 0.33 -0.67 0.22 -0.47 0.70 0.00 0.00 175.22 175.33 1gx4 s TYR 278 N -4.03 3.23 0.07 0.36 6.14 -1.26 -5.06 117.35 116.81 1gx4 s TYR 278 Ca 0.23 -0.75 -0.10 0.00 0.64 0.00 0.00 57.07 57.09 1gx4 s TYR 278 Cb 0.05 -2.47 -0.06 0.00 0.42 0.00 0.00 41.96 39.90 1gx4 s TYR 278 CO 0.03 -0.58 0.41 0.71 0.64 0.00 0.00 175.55 176.76 1gx4 s TYR 279 N 1.61 3.59 -0.15 4.97 1.51 -1.26 -2.14 117.35 125.48 1gx4 s TYR 279 Ca 0.03 0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 56.73 1gx4 s TYR 279 Cb -0.19 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1gx4 s TYR 279 CO 0.08 0.53 0.47 -1.58 -1.11 0.00 0.00 175.55 173.93 1gx4 s HIS 280 N -1.37 3.47 -1.90 2.71 2.46 -0.32 -4.76 115.29 115.57 1gx4 s HIS 280 Ca 0.32 0.83 0.28 0.00 0.47 0.00 0.00 55.06 56.96 1gx4 s HIS 280 Cb -0.14 -2.57 1.65 0.00 -0.13 0.00 0.00 32.58 31.39 1gx4 s HIS 280 CO 0.18 0.10 2.02 0.00 -2.47 0.00 0.00 174.74 174.57 1gx4 n ALA 281 N 3.98 2.52 0.28 1.58 0.00 -1.26 -3.46 120.51 124.16 1gx4 n ALA 281 Ca -0.07 -0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.37 1gx4 n ALA 281 Cb 0.51 -1.46 0.62 0.00 0.00 0.00 0.00 19.45 19.13 1gx4 n ALA 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gx4 h ALA 282 N 3.70 1.00 -3.08 0.00 0.00 -1.93 -3.42 119.26 115.52 1gx4 h ALA 282 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1gx4 h ALA 282 Cb 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.49 1gx4 h ALA 282 CO 0.00 0.00 -0.60 0.42 0.00 0.00 0.00 179.25 179.07 1gx4 s ILE 283 N -3.60 -0.23 0.09 0.00 1.01 -1.23 -1.64 121.20 115.60 1gx4 s ILE 283 Ca 0.02 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.84 1gx4 s ILE 283 Cb 0.09 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1gx4 s ILE 283 CO 0.55 0.12 0.29 0.72 0.00 0.00 0.00 174.94 176.62 1gx4 s PHE 284 N 2.04 -0.04 0.00 3.97 -0.12 -0.96 -3.89 117.98 118.99 1gx4 s PHE 284 Ca -0.00 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1gx4 s PHE 284 Cb -0.12 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 1gx4 s PHE 284 CO -0.06 -0.60 0.00 0.41 -0.05 0.00 0.00 175.22 174.92 1gx4 n GLY 285 N 0.01 1.65 0.00 1.99 0.00 -0.54 -0.66 105.19 107.64 1gx4 n GLY 285 Ca -0.16 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1gx4 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gx4 n GLY 286 N 0.00 -0.67 3.76 -0.02 0.00 -0.52 -0.76 105.19 106.98 1gx4 n GLY 286 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1gx4 n GLY 286 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gx4 s THR 287 N -2.79 3.18 0.33 2.61 -4.23 -0.74 -0.69 115.64 113.30 1gx4 s THR 287 Ca 0.00 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1gx4 s THR 287 Cb 0.00 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.21 1gx4 s THR 287 CO 0.00 -0.43 1.88 -0.65 -0.54 0.00 0.00 174.62 174.88 1gx4 h PRO 288 N -0.70 0.83 -0.48 3.99 0.11 -1.88 -0.87 132.00 133.00 1gx4 h PRO 288 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gx4 h PRO 288 Cb 1.24 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1gx4 h PRO 288 CO 0.52 0.55 0.32 1.15 -0.21 0.00 0.00 178.00 180.32 1gx4 h THR 289 N 0.85 1.12 -0.27 -1.15 2.02 -1.95 -0.90 112.91 112.64 1gx4 h THR 289 Ca 0.43 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 1gx4 h THR 289 Cb 0.50 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1gx4 h THR 289 CO -0.20 0.12 -0.27 1.56 0.37 0.00 0.00 175.52 177.11 1gx4 h GLN 290 N 0.65 0.65 -0.23 6.66 1.08 -1.53 -2.64 115.11 119.77 1gx4 h GLN 290 Ca 0.18 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 56.98 1gx4 h GLN 290 Cb -0.08 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1gx4 h GLN 290 CO -0.04 0.95 -0.08 0.28 -0.95 0.00 0.00 178.83 178.99 1gx4 h VAL 291 N 0.38 1.19 -0.68 -0.54 2.07 -1.13 -0.21 116.25 117.33 1gx4 h VAL 291 Ca 0.04 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1gx4 h VAL 291 Cb 0.83 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1gx4 h VAL 291 CO 0.07 0.26 0.45 0.25 0.02 0.00 0.00 177.57 178.61 1gx4 h LEU 292 N 0.34 0.76 -0.46 2.57 5.85 -1.04 -0.60 115.31 122.73 1gx4 h LEU 292 Ca 0.07 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1gx4 h LEU 292 Cb 0.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1gx4 h LEU 292 CO 0.02 0.55 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.44 1gx4 h ASN 293 N 0.90 0.88 0.08 1.25 -1.24 -0.84 -0.91 115.58 115.69 1gx4 h ASN 293 Ca 0.26 -0.35 0.02 0.00 0.71 0.00 0.00 56.30 56.93 1gx4 h ASN 293 Cb -0.07 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 1gx4 h ASN 293 CO -0.07 1.03 -0.22 0.40 -1.29 0.00 0.00 177.43 177.28 1gx4 h ILE 294 N 0.71 0.51 -0.48 2.57 2.04 -0.82 -1.86 117.51 120.18 1gx4 h ILE 294 Ca 0.12 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 1gx4 h ILE 294 Cb 0.63 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1gx4 h ILE 294 CO 0.04 0.00 -0.23 0.71 0.00 0.00 0.00 178.15 178.67 1gx4 h THR 295 N -0.39 1.27 -0.46 -0.27 1.35 -1.08 -1.63 112.91 111.70 1gx4 h THR 295 Ca 0.04 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1gx4 h THR 295 Cb 0.43 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1gx4 h THR 295 CO -0.15 0.48 0.25 1.56 -0.25 0.00 0.00 175.52 177.42 1gx4 h GLN 296 N 0.86 0.64 -0.22 4.72 4.20 -1.11 -0.96 115.11 123.24 1gx4 h GLN 296 Ca 0.11 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1gx4 h GLN 296 Cb 0.82 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1gx4 h GLN 296 CO 0.07 0.51 -0.34 0.93 -0.67 0.00 0.00 178.83 179.33 1gx4 h GLU 297 N 0.61 0.62 -0.54 1.46 4.39 -1.26 -1.41 114.58 118.44 1gx4 h GLU 297 Ca 0.16 -0.37 0.02 0.00 0.34 0.00 0.00 59.36 59.51 1gx4 h GLU 297 Cb 0.05 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1gx4 h GLU 297 CO -0.03 0.98 0.33 0.00 -1.16 0.00 0.00 179.01 179.14 1gx4 h PHE 299 N 0.66 0.54 -0.85 0.00 3.57 -1.02 -1.62 116.94 118.20 1gx4 h PHE 299 Ca 0.22 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1gx4 h PHE 299 Cb 0.01 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.56 1gx4 h PHE 299 CO -0.06 0.71 0.52 0.87 -2.23 0.00 0.00 178.31 178.12 1gx4 h LYS 300 N 0.41 0.88 -0.46 1.11 1.57 -0.99 -1.11 116.57 117.98 1gx4 h LYS 300 Ca 0.06 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1gx4 h LYS 300 Cb 0.71 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1gx4 h LYS 300 CO 0.05 0.58 -0.06 0.78 -0.57 0.00 0.00 179.45 180.24 1gx4 h GLY 301 N 0.91 0.91 0.81 3.86 0.00 -0.88 -1.34 103.07 107.34 1gx4 h GLY 301 Ca 0.39 -0.71 0.04 0.00 0.00 0.00 0.00 47.33 47.05 1gx4 h GLY 301 CO -0.20 0.65 0.47 -2.22 0.00 0.00 0.00 176.54 175.24 1gx4 h ILE 302 N 0.68 1.07 -0.34 2.60 2.04 -0.97 -1.77 117.51 120.83 1gx4 h ILE 302 Ca 0.12 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 1gx4 h ILE 302 Cb 0.58 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1gx4 h ILE 302 CO 0.03 0.16 -0.45 -0.07 0.00 0.00 0.00 178.15 177.83 1gx4 h LEU 303 N 0.90 0.96 -0.66 1.44 3.38 -1.01 -2.75 115.31 117.57 1gx4 h LEU 303 Ca 0.32 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1gx4 h LEU 303 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1gx4 h LEU 303 CO -0.13 1.26 0.28 0.50 0.09 0.00 0.00 178.44 180.43 1gx4 h LYS 304 N 0.71 0.97 -0.89 1.13 3.64 -1.06 -2.63 116.57 118.44 1gx4 h LYS 304 Ca 0.04 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1gx4 h LYS 304 Cb 1.04 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1gx4 h LYS 304 CO 0.10 0.80 0.59 -0.44 -2.27 0.00 0.00 179.45 178.24 1gx4 h ASP 305 N 0.92 1.03 -0.78 4.20 3.45 -1.23 -2.09 116.42 121.92 1gx4 h ASP 305 Ca 0.22 -0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.71 1gx4 h ASP 305 Cb 0.18 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 38.64 1gx4 h ASP 305 CO -0.02 0.74 0.47 0.11 -1.57 0.00 0.00 179.24 178.97 1gx4 h LYS 306 N 1.21 0.84 0.00 3.56 1.57 -1.18 -0.69 116.57 121.89 1gx4 h LYS 306 Ca 0.33 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1gx4 h LYS 306 Cb -0.14 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 31.98 1gx4 h LYS 306 CO -0.07 0.56 -0.15 0.87 -0.57 0.00 0.00 179.45 180.09 1gx4 h LYS 307 N 0.87 0.00 -0.66 3.15 1.79 -1.11 -2.45 116.57 118.15 1gx4 h LYS 307 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1gx4 h LYS 307 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1gx4 h LYS 307 CO -0.17 0.15 0.00 0.09 -1.08 0.00 0.00 179.45 178.44 1gx4 n ASN 308 N -3.38 4.70 -3.71 0.86 3.02 -0.38 -4.97 115.26 111.39 1gx4 n ASN 308 Ca -0.00 -2.40 -0.24 0.00 -0.03 0.00 0.00 54.58 51.91 1gx4 n ASN 308 Cb 0.35 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1gx4 n ASN 308 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gx4 n ASP 309 N 1.19 -3.08 -3.99 6.41 2.03 -0.51 -5.00 116.55 113.59 1gx4 n ASP 309 Ca 0.26 -0.74 -0.11 0.00 0.52 0.00 0.00 54.79 54.72 1gx4 n ASP 309 Cb 0.87 -4.29 -0.12 0.00 -0.72 0.00 0.00 41.12 36.86 1gx4 n ASP 309 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gx4 s ILE 310 N -3.47 0.24 -0.08 5.18 2.07 -0.77 -5.04 121.20 119.33 1gx4 s ILE 310 Ca 0.28 -0.84 -0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1gx4 s ILE 310 Cb -0.13 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1gx4 s ILE 310 CO 0.80 -0.38 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.69 1gx4 s GLU 311 N -1.28 1.10 0.50 3.50 2.12 -1.26 -4.00 118.70 119.38 1gx4 s GLU 311 Ca -0.12 -0.11 -0.23 0.00 0.36 0.00 0.00 54.97 54.87 1gx4 s GLU 311 Cb -0.09 -1.22 -0.06 0.00 0.26 0.00 0.00 34.13 33.02 1gx4 s GLU 311 CO -0.00 -0.22 1.38 0.00 -0.54 0.00 0.00 175.26 175.88 1gx4 s ALA 312 N 1.57 3.00 0.26 6.30 0.00 -1.26 -4.90 121.76 126.73 1gx4 s ALA 312 Ca 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 1gx4 s ALA 312 Cb -0.13 -3.57 0.46 0.00 0.00 0.00 0.00 23.12 19.88 1gx4 s ALA 312 CO -0.05 -1.28 1.82 0.37 0.00 0.00 0.00 175.76 176.62 1gx4 h GLN 313 N 1.84 0.86 -0.25 0.00 4.15 -1.95 -1.39 115.11 118.36 1gx4 h GLN 313 Ca -0.51 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 58.69 1gx4 h GLN 313 Cb 1.28 -0.19 -0.13 0.00 0.21 0.00 0.00 27.48 28.65 1gx4 h GLN 313 CO 0.59 0.57 -0.49 0.91 -1.93 0.00 0.00 178.83 178.48 1gx4 n TRP 314 N -4.69 0.89 -0.06 3.99 7.02 -1.26 -5.06 117.44 118.27 1gx4 n TRP 314 Ca 0.16 -1.72 0.00 0.00 -1.02 0.00 0.00 57.50 54.92 1gx4 n TRP 314 Cb 0.31 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 1gx4 n TRP 314 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1gx4 n HIS 315 N -1.02 0.00 0.26 -5.99 8.25 -0.53 -1.62 115.22 114.57 1gx4 n HIS 315 Ca 0.28 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.83 1gx4 n HIS 315 Cb 0.81 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.57 1gx4 n HIS 315 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1gx4 h ASP 316 N 0.13 0.00 -0.25 0.41 2.03 -1.91 -1.97 116.42 114.86 1gx4 h ASP 316 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1gx4 h ASP 316 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1gx4 h ASP 316 CO 0.00 0.05 -0.04 -0.08 -1.03 0.00 0.00 179.24 178.14 1gx4 h GLU 317 N 0.00 0.60 -0.44 4.15 4.81 -1.70 -0.07 114.58 121.91 1gx4 h GLU 317 Ca -0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1gx4 h GLU 317 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1gx4 h GLU 317 CO 0.01 0.65 0.16 0.77 -0.73 0.00 0.00 179.01 179.87 1gx4 h SER 318 N 0.56 0.63 -0.61 1.04 0.02 -1.30 -1.56 113.55 112.33 1gx4 h SER 318 Ca 0.11 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1gx4 h SER 318 Cb 0.42 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1gx4 h SER 318 CO 0.02 0.65 0.06 0.45 -1.14 0.00 0.00 176.83 176.86 1gx4 h HIS 319 N 0.58 1.11 -0.77 3.45 3.86 -1.46 -2.55 115.15 119.37 1gx4 h HIS 319 Ca 0.15 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1gx4 h HIS 319 Cb 0.23 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 1gx4 h HIS 319 CO 0.01 0.96 0.35 1.25 0.86 0.00 0.00 177.93 181.36 1gx4 h LEU 320 N 0.94 1.02 -0.92 2.43 5.85 -0.82 -0.29 115.31 123.52 1gx4 h LEU 320 Ca 0.18 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1gx4 h LEU 320 Cb 0.48 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1gx4 h LEU 320 CO 0.02 0.87 0.01 0.78 -0.34 0.00 0.00 178.44 179.78 1gx4 h ASN 321 N 1.10 0.77 -0.39 1.25 2.35 -1.13 -1.42 115.58 118.11 1gx4 h ASN 321 Ca 0.26 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1gx4 h ASN 321 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1gx4 h ASN 321 CO -0.03 0.83 -0.03 0.50 -1.65 0.00 0.00 177.43 177.05 1gx4 h LYS 322 N 0.75 0.71 0.02 0.81 1.63 -1.03 -1.98 116.57 117.48 1gx4 h LYS 322 Ca 0.15 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1gx4 h LYS 322 Cb 0.45 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1gx4 h LYS 322 CO 0.02 0.82 -0.24 -0.92 -3.45 0.00 0.00 179.45 175.67 1gx4 h TYR 323 N 0.52 -0.65 0.00 1.91 3.20 -0.77 -2.64 116.97 118.55 1gx4 h TYR 323 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1gx4 h TYR 323 Cb 0.52 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1gx4 h TYR 323 CO 0.04 -0.33 0.00 1.19 -1.64 0.00 0.00 178.16 177.42 1gx4 n PHE 324 N -5.36 0.79 -0.05 -3.82 0.99 -0.56 -0.81 117.46 108.63 1gx4 n PHE 324 Ca -0.05 0.28 -0.16 0.00 -0.00 0.00 0.00 57.45 57.52 1gx4 n PHE 324 Cb 0.28 -0.95 -0.07 0.00 -1.00 0.00 0.00 39.48 37.74 1gx4 n PHE 324 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1gx4 h LEU 325 N 0.00 0.81 -0.01 4.37 5.85 -1.02 -3.28 115.31 122.04 1gx4 h LEU 325 Ca 0.00 -0.59 -0.26 0.00 0.84 0.00 0.00 57.88 57.87 1gx4 h LEU 325 Cb 0.50 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1gx4 h LEU 325 CO 0.00 1.26 -1.12 -0.07 -0.34 0.00 0.00 178.44 178.17 1gx4 h LEU 326 N 0.41 0.54 -7.09 2.25 3.38 -1.16 -3.41 115.31 110.23 1gx4 h LEU 326 Ca -0.02 -0.50 -0.62 0.00 0.09 0.00 0.00 57.88 56.83 1gx4 h LEU 326 Cb 1.18 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 41.35 1gx4 h LEU 326 CO 0.12 1.34 -0.69 0.20 0.09 0.00 0.00 178.44 179.50 1gx4 s ASN 327 N -7.17 3.94 0.35 -0.43 0.01 0.00 -5.10 114.94 106.54 1gx4 s ASN 327 Ca -0.06 -3.02 -0.28 0.00 -0.71 0.00 0.00 52.86 48.79 1gx4 s ASN 327 Cb 0.08 -1.31 -0.11 0.00 0.41 0.00 0.00 41.25 40.32 1gx4 s ASN 327 CO 0.88 -0.21 1.37 -0.54 -1.51 0.00 0.00 177.10 177.09 1gx4 s LYS 328 N -0.23 4.27 0.49 -0.60 -0.14 -1.24 -4.36 119.74 117.92 1gx4 s LYS 328 Ca 0.20 2.34 -0.22 0.00 -1.36 0.00 0.00 55.97 56.93 1gx4 s LYS 328 Cb -0.19 -3.03 -0.07 0.00 -1.68 0.00 0.00 37.83 32.86 1gx4 s LYS 328 CO -0.05 -0.31 1.21 -1.25 -0.76 0.00 0.00 175.35 174.20 1gx4 s PRO 329 N -1.90 3.58 0.05 -1.68 0.04 -1.26 -4.93 135.00 128.89 1gx4 s PRO 329 Ca 0.50 1.88 0.27 0.00 0.04 0.00 0.00 61.00 63.69 1gx4 s PRO 329 Cb -0.42 -2.35 0.83 0.00 0.04 0.00 0.00 34.50 32.60 1gx4 s PRO 329 CO 0.57 -0.73 1.67 0.25 0.04 0.00 0.00 177.00 178.79 1gx4 n THR 330 N -0.66 0.14 -3.75 1.26 -2.24 -0.09 -4.83 114.28 104.11 1gx4 n THR 330 Ca 0.08 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1gx4 n THR 330 Cb 0.47 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1gx4 n THR 330 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1gx4 s LYS 331 N -3.04 0.47 0.01 -0.78 2.20 -0.85 -4.28 119.74 113.48 1gx4 s LYS 331 Ca 0.11 0.36 0.08 0.00 -0.36 0.00 0.00 55.97 56.17 1gx4 s LYS 331 Cb 0.17 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1gx4 s LYS 331 CO 0.62 -0.08 -0.23 0.42 -0.36 0.00 0.00 175.35 175.72 1gx4 s ILE 332 N -0.11 1.85 -0.12 5.43 1.01 -0.85 -1.88 121.20 126.53 1gx4 s ILE 332 Ca -0.03 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 1gx4 s ILE 332 Cb -0.03 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1gx4 s ILE 332 CO 0.01 0.41 0.20 -0.76 0.00 0.00 0.00 174.94 174.81 1gx4 s LEU 333 N -0.84 4.34 0.90 2.97 1.43 0.06 -0.74 118.68 126.80 1gx4 s LEU 333 Ca 0.09 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1gx4 s LEU 333 Cb -0.09 -2.20 0.13 0.00 0.03 0.00 0.00 46.19 44.06 1gx4 s LEU 333 CO 0.00 0.30 1.10 -0.94 0.23 0.00 0.00 176.35 177.04 1gx4 s SER 334 N -0.53 3.34 0.17 2.29 1.04 -0.61 -1.98 113.70 117.43 1gx4 s SER 334 Ca 0.15 1.78 0.13 0.00 0.48 0.00 0.00 55.95 58.49 1gx4 s SER 334 Cb -0.13 -2.39 0.67 0.00 0.10 0.00 0.00 66.02 64.27 1gx4 s SER 334 CO 0.04 -2.77 1.40 -2.65 0.98 0.00 0.00 173.24 170.25 1gx4 n PRO 335 N -3.99 0.08 0.23 4.02 -0.02 -1.26 -1.15 135.00 132.91 1gx4 n PRO 335 Ca 0.08 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 1gx4 n PRO 335 Cb 0.54 -1.74 0.84 0.00 -0.02 0.00 0.00 33.50 33.11 1gx4 n PRO 335 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gx4 h GLU 336 N 0.00 0.00 -0.00 -0.52 5.08 -1.90 -2.04 114.58 115.19 1gx4 h GLU 336 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gx4 h GLU 336 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1gx4 h GLU 336 CO 0.00 0.00 -0.09 0.66 -1.00 0.00 0.00 179.01 178.58 1gx4 n TYR 337 N -3.90 0.00 -2.76 4.33 4.02 -0.30 -0.73 117.16 117.82 1gx4 n TYR 337 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1gx4 n TYR 337 Cb 0.24 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1gx4 n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gx4 s TRP 339 N 0.94 3.30 -0.46 0.00 -0.11 -0.31 -4.34 118.94 117.96 1gx4 s TRP 339 Ca 0.28 0.26 -0.14 0.00 1.22 0.00 0.00 56.10 57.72 1gx4 s TRP 339 Cb 0.03 -1.79 0.07 0.00 -1.50 0.00 0.00 33.47 30.28 1gx4 s TRP 339 CO -0.06 0.56 0.36 0.34 -4.62 0.00 0.00 176.95 173.52 1gx4 s ASP 340 N -1.31 6.01 0.00 5.86 -1.08 -1.26 -1.34 116.67 123.56 1gx4 s ASP 340 Ca 0.18 -1.37 0.10 0.00 -0.52 0.00 0.00 52.55 50.94 1gx4 s ASP 340 Cb -0.12 -2.13 0.46 0.00 -1.46 0.00 0.00 42.92 39.67 1gx4 s ASP 340 CO 0.08 -0.62 1.32 -1.22 0.52 0.00 0.00 175.17 175.26 1gx4 n TYR 341 N 5.13 0.00 0.31 -5.34 4.02 -1.26 -1.48 117.16 118.54 1gx4 n TYR 341 Ca -0.12 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.96 1gx4 n TYR 341 Cb 0.43 -0.48 0.98 0.00 -0.02 0.00 0.00 39.34 40.25 1gx4 n TYR 341 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1gx4 h HIS 342 N 0.00 0.00 0.00 -0.72 2.76 -1.95 -1.72 115.15 113.52 1gx4 h HIS 342 Ca 0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1gx4 h HIS 342 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1gx4 h HIS 342 CO 0.00 0.03 -0.32 0.82 -1.30 0.00 0.00 177.93 177.16 1gx4 h ILE 343 N 0.00 0.72 0.00 6.26 2.04 -1.69 -3.50 117.51 121.34 1gx4 h ILE 343 Ca -0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1gx4 h ILE 343 Cb 0.16 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1gx4 h ILE 343 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.07 1gx4 n GLY 344 N 0.32 -0.71 2.49 5.37 0.00 -0.65 -4.89 105.19 107.11 1gx4 n GLY 344 Ca 0.00 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 1gx4 n GLY 344 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gx4 s LEU 345 N 0.00 0.88 0.85 0.99 2.96 -1.26 -4.63 118.68 118.47 1gx4 s LEU 345 Ca 0.00 -2.19 -0.12 0.00 -0.22 0.00 0.00 54.13 51.60 1gx4 s LEU 345 Cb 0.00 -0.28 0.13 0.00 0.50 0.00 0.00 46.19 46.54 1gx4 s LEU 345 CO 0.00 -0.29 1.19 -2.16 -1.32 0.00 0.00 176.35 173.77 1gx4 s PRO 346 N 1.03 1.44 0.40 0.98 0.04 -1.26 -4.96 135.00 132.66 1gx4 s PRO 346 Ca 0.19 -0.27 0.07 0.00 0.04 0.00 0.00 61.00 61.03 1gx4 s PRO 346 Cb -0.20 -1.98 0.84 0.00 0.04 0.00 0.00 34.50 33.21 1gx4 s PRO 346 CO -0.01 -1.86 2.03 0.00 0.04 0.00 0.00 177.00 177.20 1gx4 h ALA 347 N -1.17 1.74 0.00 8.56 0.00 -2.04 -2.37 119.26 123.98 1gx4 h ALA 347 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gx4 h ALA 347 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1gx4 h ALA 347 CO 0.51 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.53 1gx4 h ASP 348 N 0.60 0.00 -3.30 0.00 3.32 -2.00 -3.39 116.42 111.64 1gx4 h ASP 348 Ca 0.20 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.49 1gx4 h ASP 348 Cb 0.08 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.38 1gx4 h ASP 348 CO -0.05 0.00 -0.13 -0.63 -1.72 0.00 0.00 179.24 176.71 1gx4 s ILE 349 N -3.56 5.33 -0.07 0.35 -1.09 -0.89 -4.93 121.20 116.34 1gx4 s ILE 349 Ca 0.02 -1.78 -0.01 0.00 -2.23 0.00 0.00 60.65 56.64 1gx4 s ILE 349 Cb 0.09 -4.38 -0.26 0.00 -1.58 0.00 0.00 42.46 36.33 1gx4 s ILE 349 CO 0.47 -0.92 0.57 0.11 -1.23 0.00 0.00 174.94 173.94 1gx4 h LYS 350 N 8.57 0.20 -2.23 2.79 1.79 -1.85 -3.46 116.57 122.38 1gx4 h LYS 350 Ca -0.18 -0.35 -0.21 0.00 -2.18 0.00 0.00 60.65 57.73 1gx4 h LYS 350 Cb 1.08 0.13 -0.32 0.00 -1.58 0.00 0.00 32.23 31.54 1gx4 h LYS 350 CO 0.96 1.02 -0.53 -1.17 -1.08 0.00 0.00 179.45 178.64 1gx4 s LEU 351 N -6.80 -0.42 -0.03 2.94 2.96 -1.26 -5.14 118.68 110.93 1gx4 s LEU 351 Ca -0.14 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.61 1gx4 s LEU 351 Cb 0.07 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.56 1gx4 s LEU 351 CO 0.81 -0.30 1.04 -0.69 -1.32 0.00 0.00 176.35 175.89 1gx4 s VAL 352 N 2.46 4.66 -0.12 1.68 1.01 -1.26 -4.83 120.40 124.00 1gx4 s VAL 352 Ca 0.09 1.92 0.19 0.00 0.00 0.00 0.00 61.98 64.18 1gx4 s VAL 352 Cb -0.15 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 1gx4 s VAL 352 CO -0.14 0.09 0.46 0.29 0.00 0.00 0.00 175.10 175.80 1gx4 n LYS 353 N 4.37 0.66 -3.73 2.72 4.01 0.09 -3.70 118.16 122.57 1gx4 n LYS 353 Ca 0.08 -0.01 -0.13 0.00 -0.51 0.00 0.00 58.31 57.74 1gx4 n LYS 353 Cb 0.49 -1.61 -0.10 0.00 -0.51 0.00 0.00 35.03 33.31 1gx4 n LYS 353 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1gx4 s MET 354 N -3.00 0.54 0.05 1.97 0.00 -1.24 -0.10 119.30 117.51 1gx4 s MET 354 Ca -0.07 0.42 0.06 0.00 0.00 0.00 0.00 55.69 56.10 1gx4 s MET 354 Cb 0.10 0.26 -0.03 0.00 0.00 0.00 0.00 34.83 35.16 1gx4 s MET 354 CO 0.85 -0.09 -0.16 -1.54 0.00 0.00 0.00 175.02 174.08 1gx4 s SER 355 N -0.12 1.95 0.37 1.11 1.04 -0.33 -1.16 113.70 116.56 1gx4 s SER 355 Ca -0.03 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.60 1gx4 s SER 355 Cb -0.03 -0.12 -0.09 0.00 0.10 0.00 0.00 66.02 65.87 1gx4 s SER 355 CO 0.02 0.05 1.26 0.26 0.98 0.00 0.00 173.24 175.80 1gx4 s TRP 356 N -0.95 3.02 0.41 5.02 0.52 -0.45 -1.37 118.94 125.14 1gx4 s TRP 356 Ca 0.03 1.47 -0.23 0.00 0.02 0.00 0.00 56.10 57.38 1gx4 s TRP 356 Cb -0.09 -3.58 -0.09 0.00 -1.15 0.00 0.00 33.47 28.56 1gx4 s TRP 356 CO 0.02 -1.71 1.04 -0.65 0.02 0.00 0.00 176.95 175.67 1gx4 s GLN 357 N -2.03 4.14 0.26 4.98 -1.52 -0.58 -4.80 119.66 120.11 1gx4 s GLN 357 Ca 0.53 1.47 -0.30 0.00 -1.95 0.00 0.00 55.36 55.10 1gx4 s GLN 357 Cb -0.37 -2.48 -0.13 0.00 -0.22 0.00 0.00 33.01 29.82 1gx4 s GLN 357 CO 0.47 -0.16 1.40 2.41 -0.25 0.00 0.00 175.29 179.17 1gx4 n THR 358 N -0.19 1.15 -2.25 -0.19 -1.04 -1.26 -4.94 114.28 105.55 1gx4 n THR 358 Ca 0.06 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 1gx4 n THR 358 Cb 0.50 -1.54 -0.01 0.00 -1.82 0.00 0.00 70.33 67.46 1gx4 n THR 358 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1gx4 s LYS 359 N -0.68 3.89 -0.28 -2.82 -0.14 -1.26 -4.96 119.74 113.49 1gx4 s LYS 359 Ca 0.65 1.83 0.21 0.00 -1.36 0.00 0.00 55.97 57.30 1gx4 s LYS 359 Cb -0.62 -2.54 0.49 0.00 -1.68 0.00 0.00 37.83 33.48 1gx4 s LYS 359 CO 0.52 -0.46 1.06 0.39 -0.76 0.00 0.00 175.35 176.11 1gx4 n GLU 360 N -0.21 1.63 0.22 1.68 1.02 -1.26 -4.97 120.64 118.74 1gx4 n GLU 360 Ca 0.06 -3.46 0.12 0.00 -0.02 0.00 0.00 57.16 53.85 1gx4 n GLU 360 Cb 0.47 -1.52 0.71 0.00 -0.02 0.00 0.00 31.44 31.07 1gx4 n GLU 360 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1gx4 h TYR 361 N 2.72 0.00 0.00 -0.32 0.99 -1.96 -1.15 116.97 117.25 1gx4 h TYR 361 Ca -0.11 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1gx4 h TYR 361 Cb 1.25 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.97 1gx4 h TYR 361 CO 0.51 0.00 -0.03 -0.97 -0.00 0.00 0.00 178.16 177.67 1gx4 h ASN 362 N 0.00 0.00 0.02 3.88 -1.24 -1.93 -2.57 115.58 113.73 1gx4 h ASN 362 Ca 0.04 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.66 1gx4 h ASN 362 Cb 0.19 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.18 1gx4 h ASN 362 CO -0.00 0.03 -2.32 0.52 -1.29 0.00 0.00 177.43 174.37 1gx4 n VAL 363 N -4.33 1.55 0.61 2.57 0.31 -0.49 -4.69 118.33 113.86 1gx4 n VAL 363 Ca -0.03 -0.47 0.12 0.00 -0.01 0.00 0.00 64.34 63.96 1gx4 n VAL 363 Cb 0.12 -1.68 0.20 0.00 -0.91 0.00 0.00 33.84 31.57 1gx4 n VAL 363 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1gx4 n VAL 364 N -3.75 0.35 -4.32 2.52 0.24 -0.87 -4.81 118.33 107.69 1gx4 n VAL 364 Ca -0.46 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.34 61.27 1gx4 n VAL 364 Cb 0.93 -0.15 -0.09 0.00 -1.47 0.00 0.00 33.84 33.06 1gx4 n VAL 364 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1gx4 s ARG 365 N -3.15 2.55 -0.05 7.34 0.52 -0.97 -4.47 118.95 120.72 1gx4 s ARG 365 Ca 0.07 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 1gx4 s ARG 365 Cb 0.14 -2.52 0.11 0.00 0.52 0.00 0.00 34.95 33.19 1gx4 s ARG 365 CO 0.71 0.58 0.99 0.09 0.02 0.00 0.00 175.30 177.69 1gx4 n ASN 366 N 1.21 1.18 -4.03 0.23 5.03 -1.26 -4.78 115.26 112.83 1gx4 n ASN 366 Ca -0.14 -2.28 -0.08 0.00 0.87 0.00 0.00 54.58 52.96 1gx4 n ASN 366 Cb 0.52 -0.23 -0.09 0.00 -1.02 0.00 0.00 39.78 38.96 1gx4 n ASN 366 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1gx4 s ASN 367 N -1.58 0.39 0.00 6.41 2.20 -1.26 -5.05 114.94 116.05 1gx4 s ASN 367 Ca 0.12 -0.89 0.15 0.00 -0.94 0.00 0.00 52.86 51.30 1gx4 s ASN 367 Cb 0.11 0.23 0.90 0.00 -2.00 0.00 0.00 41.25 40.48 1gx4 s ASN 367 CO 0.01 -0.62 1.31 0.52 -2.94 0.00 0.00 177.10 175.38