#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 4.34 0.22 -5.58 2.96 -1.26 -5.01 118.68 114.35 1gx4 s LEU 83 Ca 0.00 2.95 0.11 0.00 -0.22 0.00 0.00 54.13 56.97 1gx4 s LEU 83 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1gx4 s LEU 83 CO 0.00 -0.92 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.37 1gx4 s LYS 84 N -0.47 1.51 0.22 1.98 1.02 -1.26 -5.05 119.74 117.69 1gx4 s LYS 84 Ca 0.64 -1.61 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1gx4 s LYS 84 Cb -0.48 -1.62 0.33 0.00 -0.52 0.00 0.00 37.83 35.54 1gx4 s LYS 84 CO 0.48 0.32 1.71 1.25 -0.92 0.00 0.00 175.35 178.19 1gx4 h LEU 85 N 2.75 0.08 -0.93 3.17 5.85 -1.96 -0.38 115.31 123.90 1gx4 h LEU 85 Ca -0.42 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1gx4 h LEU 85 Cb 1.23 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1gx4 h LEU 85 CO 0.55 0.04 0.00 -1.54 -0.34 0.00 0.00 178.44 177.15 1gx4 n SER 86 N -5.09 0.68 0.23 1.25 3.41 -1.26 -0.97 113.62 111.88 1gx4 n SER 86 Ca 0.10 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.48 1gx4 n SER 86 Cb 0.34 -0.83 0.60 0.00 -0.26 0.00 0.00 64.21 64.05 1gx4 n SER 86 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1gx4 h ASP 87 N 0.00 0.03 0.00 4.04 3.45 -1.47 -3.36 116.42 119.11 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 0.28 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1gx4 h ASP 87 CO 0.00 0.06 -0.08 -2.67 -1.57 0.00 0.00 179.24 174.98 1gx4 n TRP 88 N -4.49 0.00 -4.47 4.55 4.27 -0.82 -4.92 117.44 111.56 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 0.12 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.91 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 -0.36 2.73 -0.39 -2.67 5.36 -0.14 -1.02 117.98 121.48 1gx4 s PHE 89 Ca 0.00 -1.37 0.02 0.00 -0.96 0.00 0.00 56.93 54.62 1gx4 s PHE 89 Cb 0.00 -1.87 0.11 0.00 -0.34 0.00 0.00 43.02 40.93 1gx4 s PHE 89 CO 0.00 -0.65 0.14 1.21 -1.46 0.00 0.00 175.22 174.47 1gx4 s ASN 90 N 0.97 4.27 0.57 6.13 3.84 -0.04 -4.48 114.94 126.21 1gx4 s ASN 90 Ca -0.03 -2.30 0.36 0.00 0.21 0.00 0.00 52.86 51.10 1gx4 s ASN 90 Cb -0.15 -1.33 1.65 0.00 -0.55 0.00 0.00 41.25 40.88 1gx4 s ASN 90 CO -0.05 -0.34 2.08 1.55 -2.79 0.00 0.00 177.10 177.56 1gx4 h PRO 91 N 7.32 0.00 0.00 0.43 0.13 -1.93 -2.76 132.00 135.19 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 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1gx4 h PRO 91 CO 0.54 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.50 1gx4 n PHE 92 N -3.05 0.00 0.40 1.56 3.01 -1.26 -1.94 117.46 116.18 1gx4 n PHE 92 Ca -0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 1gx4 n PHE 92 Cb 0.24 -0.45 0.49 0.00 -0.01 0.00 0.00 39.48 39.74 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 -2.20 -1.08 1.79 -1.80 -3.35 116.57 109.93 1gx4 h LYS 93 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1gx4 h LYS 93 Cb 0.32 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.57 1gx4 h LYS 93 CO 0.00 0.00 -0.95 0.54 -1.08 0.00 0.00 179.45 177.96 1gx4 n ARG 94 N -2.51 0.98 0.05 3.15 5.12 -0.82 -4.88 116.66 117.75 1gx4 n ARG 94 Ca 0.03 -3.55 0.09 0.00 -1.93 0.00 0.00 57.85 52.49 1gx4 n ARG 94 Cb 0.32 -1.58 0.39 0.00 -1.16 0.00 0.00 32.46 30.43 1gx4 n ARG 94 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1gx4 n PRO 95 N 1.69 0.08 -0.33 5.56 -0.04 -1.26 -3.46 135.00 137.24 1gx4 n PRO 95 Ca 0.25 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1gx4 n PRO 95 Cb 0.48 -1.65 0.28 0.00 -0.04 0.00 0.00 33.50 32.58 1gx4 n PRO 95 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gx4 n GLU 96 N -1.80 2.81 -4.40 0.54 -0.58 -1.26 -4.94 120.64 111.01 1gx4 n GLU 96 Ca 0.03 -2.52 -0.20 0.00 -0.42 0.00 0.00 57.16 54.05 1gx4 n GLU 96 Cb 0.21 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.47 1gx4 n GLU 96 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1gx4 s VAL 97 N -1.04 0.86 -0.19 2.62 -7.23 -1.22 -5.11 120.40 109.08 1gx4 s VAL 97 Ca 0.43 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1gx4 s VAL 97 Cb 0.22 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 1gx4 s VAL 97 CO 0.28 0.00 1.17 -0.69 -0.31 0.00 0.00 175.10 175.56 1gx4 s VAL 98 N -3.48 4.44 -0.13 1.32 1.01 -1.26 -4.90 120.40 117.41 1gx4 s VAL 98 Ca 0.36 1.74 0.03 0.00 0.00 0.00 0.00 61.98 64.11 1gx4 s VAL 98 Cb 0.08 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1gx4 s VAL 98 CO 0.15 -0.15 0.12 0.35 0.00 0.00 0.00 175.10 175.57 1gx4 n THR 99 N 5.33 0.00 -3.88 3.92 -2.24 -1.26 -4.70 114.28 111.44 1gx4 n THR 99 Ca 0.13 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1gx4 n THR 99 Cb 0.45 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.51 1gx4 n THR 99 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1gx4 s MET 100 N -1.35 0.14 0.62 -0.78 -1.94 -1.26 -1.54 119.30 113.19 1gx4 s MET 100 Ca 0.01 -0.11 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1gx4 s MET 100 Cb 0.02 0.06 0.06 0.00 2.01 0.00 0.00 34.83 36.98 1gx4 s MET 100 CO 0.12 -0.02 0.87 0.95 -0.01 0.00 0.00 175.02 176.93 1gx4 s THR 101 N -0.40 2.48 0.54 2.05 -4.23 -0.09 -4.93 115.64 111.05 1gx4 s THR 101 Ca -0.04 -0.54 0.20 0.00 -1.18 0.00 0.00 61.69 60.12 1gx4 s THR 101 Cb -0.03 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.18 1gx4 s THR 101 CO -0.00 0.00 2.14 0.11 -0.54 0.00 0.00 174.62 176.33 1gx4 h LYS 102 N -0.21 0.00 -0.64 3.99 1.57 -2.02 -1.07 116.57 118.19 1gx4 h LYS 102 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1gx4 h LYS 102 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1gx4 h LYS 102 CO 0.52 0.00 0.00 -2.67 -0.57 0.00 0.00 179.45 176.73 1gx4 n TRP 103 N -4.38 1.32 -2.12 -1.35 2.14 -1.26 -4.94 117.44 106.86 1gx4 n TRP 103 Ca -0.01 -0.52 -0.08 0.00 2.07 0.00 0.00 57.50 58.96 1gx4 n TRP 103 Cb 0.17 -0.23 -0.00 0.00 -0.81 0.00 0.00 31.31 30.44 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 0.97 -0.63 -3.51 -2.67 4.01 -0.40 -5.03 118.16 110.89 1gx4 n LYS 104 Ca 0.23 0.40 -0.34 0.00 -0.51 0.00 0.00 58.31 58.08 1gx4 n LYS 104 Cb 0.80 -4.33 -0.05 0.00 -0.51 0.00 0.00 35.03 30.93 1gx4 n LYS 104 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gx4 s ALA 105 N -2.39 3.68 0.42 7.82 0.00 -1.26 -4.82 121.76 125.21 1gx4 s ALA 105 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1gx4 s ALA 105 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1gx4 s ALA 105 CO 0.00 0.54 1.06 -1.25 0.00 0.00 0.00 175.76 176.11 1gx4 s PRO 106 N -2.03 4.07 -0.31 0.00 0.04 -1.26 -0.92 135.00 134.58 1gx4 s PRO 106 Ca 0.36 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 1gx4 s PRO 106 Cb -0.14 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 1gx4 s PRO 106 CO 0.19 -0.23 0.15 0.08 0.04 0.00 0.00 177.00 177.23 1gx4 s VAL 107 N -1.70 4.56 -0.43 -0.36 1.01 -0.59 -1.66 120.40 121.23 1gx4 s VAL 107 Ca 0.60 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 1gx4 s VAL 107 Cb -0.22 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1gx4 s VAL 107 CO 0.27 0.04 0.82 -0.69 0.00 0.00 0.00 175.10 175.55 1gx4 s VAL 108 N 1.60 4.62 0.11 2.92 1.01 -0.15 -4.71 120.40 125.81 1gx4 s VAL 108 Ca 0.04 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1gx4 s VAL 108 Cb -0.17 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1gx4 s VAL 108 CO 0.06 -0.67 -0.01 0.26 0.00 0.00 0.00 175.10 174.73 1gx4 s TRP 109 N 3.36 2.91 0.14 5.22 0.52 -1.26 -1.90 118.94 127.94 1gx4 s TRP 109 Ca 0.32 -0.08 -0.35 0.00 0.02 0.00 0.00 56.10 56.02 1gx4 s TRP 109 Cb -0.12 -1.48 -0.15 0.00 -1.15 0.00 0.00 33.47 30.57 1gx4 s TRP 109 CO 0.22 0.48 1.36 -1.91 0.02 0.00 0.00 176.95 177.12 1gx4 n GLU 110 N 0.40 1.47 0.00 4.98 4.07 -1.26 -1.49 120.64 128.82 1gx4 n GLU 110 Ca -0.11 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1gx4 n GLU 110 Cb 0.53 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 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 2.57 3.22 0.17 8.31 0.00 -1.26 -4.92 105.19 113.28 1gx4 n GLY 111 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.51 2.61 1.35 -1.50 -3.45 112.91 108.40 1gx4 h THR 112 Ca 0.00 -0.91 -0.67 0.00 -0.55 0.00 0.00 66.41 64.28 1gx4 h THR 112 Cb 0.00 1.74 -0.16 0.00 -1.73 0.00 0.00 68.15 68.00 1gx4 h THR 112 CO 0.00 0.00 -0.69 -0.72 -0.25 0.00 0.00 175.52 173.86 1gx4 s TYR 113 N -3.24 2.93 -0.79 4.73 -0.85 -1.26 -0.86 117.35 118.01 1gx4 s TYR 113 Ca 0.05 -0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.49 1gx4 s TYR 113 Cb 0.08 -1.60 0.21 0.00 0.38 0.00 0.00 41.96 41.02 1gx4 s TYR 113 CO 0.70 0.41 0.69 1.21 -1.52 0.00 0.00 175.55 177.05 1gx4 s ASN 114 N -1.63 6.26 0.40 -0.18 3.84 -0.19 -4.94 114.94 118.51 1gx4 s ASN 114 Ca 0.19 -2.90 0.11 0.00 0.21 0.00 0.00 52.86 50.47 1gx4 s ASN 114 Cb -0.11 -2.07 0.84 0.00 -0.55 0.00 0.00 41.25 39.35 1gx4 s ASN 114 CO 0.10 -0.45 1.93 -0.09 -2.79 0.00 0.00 177.10 175.79 1gx4 h ARG 115 N 7.31 0.15 -0.48 0.43 2.43 -1.98 -2.89 114.38 119.35 1gx4 h ARG 115 Ca 0.08 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1gx4 h ARG 115 Cb 0.98 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1gx4 h ARG 115 CO 0.77 0.32 -0.23 0.00 -1.51 0.00 0.00 179.97 179.32 1gx4 h ALA 116 N 1.69 0.69 -0.51 2.80 0.00 -1.99 0.17 119.26 122.11 1gx4 h ALA 116 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1gx4 h ALA 116 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gx4 h ALA 116 CO 0.03 0.68 0.31 0.28 0.00 0.00 0.00 179.25 180.54 1gx4 h VAL 117 N 0.85 1.16 -0.28 0.00 2.07 -1.89 -2.17 116.25 115.99 1gx4 h VAL 117 Ca 0.11 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.11 1gx4 h VAL 117 Cb 0.80 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1gx4 h VAL 117 CO 0.07 0.16 -0.49 -0.07 0.02 0.00 0.00 177.57 177.26 1gx4 h LEU 118 N 0.69 0.83 -0.98 2.57 3.38 -1.33 -2.15 115.31 118.32 1gx4 h LEU 118 Ca 0.18 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1gx4 h LEU 118 Cb -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1gx4 h LEU 118 CO -0.03 1.18 0.65 0.44 0.09 0.00 0.00 178.44 180.76 1gx4 h ASP 119 N 0.60 1.13 -0.35 -0.43 3.32 -0.52 -0.47 116.42 119.69 1gx4 h ASP 119 Ca 0.03 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1gx4 h ASP 119 Cb 1.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1gx4 h ASP 119 CO 0.10 0.82 -0.15 0.78 -1.72 0.00 0.00 179.24 179.07 1gx4 h ASN 120 N 1.33 0.74 -0.27 6.45 -0.26 -1.28 -1.72 115.58 120.57 1gx4 h ASN 120 Ca 0.36 -0.40 0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1gx4 h ASN 120 Cb -0.15 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 36.88 1gx4 h ASN 120 CO -0.08 0.97 0.11 0.22 -1.06 0.00 0.00 177.43 177.59 1gx4 h TYR 121 N 0.51 0.19 0.01 1.19 3.20 -1.02 -2.43 116.97 118.62 1gx4 h TYR 121 Ca 0.08 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 1gx4 h TYR 121 Cb 0.68 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1gx4 h TYR 121 CO 0.06 0.10 -0.91 1.88 -1.64 0.00 0.00 178.16 177.65 1gx4 h TYR 122 N 0.24 0.13 -0.67 -3.82 -1.99 -1.08 -2.86 116.97 106.92 1gx4 h TYR 122 Ca 0.12 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1gx4 h TYR 122 Cb 0.07 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1gx4 h TYR 122 CO -0.12 0.94 0.29 0.00 -0.00 0.00 0.00 178.16 179.27 1gx4 h ALA 123 N 1.03 1.24 0.00 3.88 0.00 -1.26 -0.97 119.26 123.19 1gx4 h ALA 123 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1gx4 h ALA 123 Cb 1.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gx4 h ALA 123 CO 0.13 0.56 -0.15 0.87 0.00 0.00 0.00 179.25 180.66 1gx4 h LYS 124 N 0.96 0.00 0.00 0.00 1.57 -1.28 -1.55 116.57 116.28 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1gx4 h LYS 124 CO -0.02 0.15 -0.24 1.04 -0.57 0.00 0.00 179.45 179.80 1gx4 n GLN 125 N -3.37 0.17 -3.47 3.15 6.02 -0.49 -4.97 117.38 114.42 1gx4 n GLN 125 Ca -0.00 0.10 -0.23 0.00 -0.01 0.00 0.00 57.00 56.85 1gx4 n GLN 125 Cb 0.35 -1.66 0.05 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.93 -1.68 -2.35 -1.09 5.02 -0.50 -5.00 118.16 110.63 1gx4 n LYS 126 Ca 0.05 0.67 -0.28 0.00 -2.02 0.00 0.00 58.31 56.73 1gx4 n LYS 126 Cb 0.40 -4.92 0.02 0.00 -0.02 0.00 0.00 35.03 30.51 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 -3.41 4.21 -0.03 -0.18 -4.36 -1.19 -5.06 121.20 111.17 1gx4 s ILE 127 Ca 0.46 0.24 0.05 0.00 -0.26 0.00 0.00 60.65 61.13 1gx4 s ILE 127 Cb -0.12 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 1gx4 s ILE 127 CO 0.80 -0.71 -0.17 -0.89 0.24 0.00 0.00 174.94 174.22 1gx4 s THR 128 N -2.97 1.37 -0.12 8.37 2.01 -1.26 -4.26 115.64 118.78 1gx4 s THR 128 Ca 0.52 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1gx4 s THR 128 Cb -0.11 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1gx4 s THR 128 CO 0.47 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.96 1gx4 s VAL 129 N -0.09 2.98 0.22 3.82 1.01 -0.65 -0.93 120.40 126.76 1gx4 s VAL 129 Ca -0.00 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1gx4 s VAL 129 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1gx4 s VAL 129 CO 0.01 0.54 0.34 -0.83 0.00 0.00 0.00 175.10 175.16 1gx4 s GLY 130 N 0.18 1.31 -0.15 4.51 0.00 -0.45 -1.86 107.32 110.86 1gx4 s GLY 130 Ca -0.08 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.39 1gx4 s GLY 130 CO 0.05 -1.22 0.22 -2.27 0.00 0.00 0.00 173.10 169.87 1gx4 s LEU 131 N -3.84 -0.15 -0.00 0.66 2.96 -0.70 -1.47 118.68 116.14 1gx4 s LEU 131 Ca 0.34 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 1gx4 s LEU 131 Cb -0.09 0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.98 1gx4 s LEU 131 CO 0.29 -0.28 0.36 0.42 -1.32 0.00 0.00 176.35 175.82 1gx4 s THR 132 N 2.34 5.13 -0.10 3.68 -4.23 -0.40 -0.46 115.64 121.59 1gx4 s THR 132 Ca 0.04 0.64 -0.07 0.00 -1.18 0.00 0.00 61.69 61.11 1gx4 s THR 132 Cb -0.14 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1gx4 s THR 132 CO -0.09 0.52 0.25 0.54 -0.54 0.00 0.00 174.62 175.30 1gx4 s VAL 133 N -1.14 -0.02 -0.10 2.29 0.11 -0.71 -1.96 120.40 118.88 1gx4 s VAL 133 Ca 0.24 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1gx4 s VAL 133 Cb -0.15 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1gx4 s VAL 133 CO 0.13 0.02 0.01 -0.36 -3.33 0.00 0.00 175.10 171.57 1gx4 s PHE 134 N 0.61 3.17 -0.15 1.54 0.40 -1.26 -1.36 117.98 120.92 1gx4 s PHE 134 Ca -0.04 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1gx4 s PHE 134 Cb -0.05 -1.82 0.07 0.00 0.51 0.00 0.00 43.02 41.73 1gx4 s PHE 134 CO -0.03 0.43 0.15 0.00 0.70 0.00 0.00 175.22 176.47 1gx4 s ALA 135 N -0.75 0.05 -0.08 5.36 0.00 -0.38 -4.37 121.76 121.58 1gx4 s ALA 135 Ca 0.12 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1gx4 s ALA 135 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1gx4 s ALA 135 CO 0.02 -1.01 -0.23 0.08 0.00 0.00 0.00 175.76 174.62 1gx4 s VAL 136 N 2.24 2.16 0.00 0.00 1.01 -1.26 -3.72 120.40 120.82 1gx4 s VAL 136 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1gx4 s VAL 136 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1gx4 s VAL 136 CO -0.09 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1gx4 n GLY 137 N 3.25 0.07 0.15 4.51 0.00 -1.26 -3.40 105.19 108.50 1gx4 n GLY 137 Ca -0.18 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 1.82 0.15 0.29 1.61 5.12 -1.26 -1.70 116.66 122.69 1gx4 n ARG 138 Ca 0.00 0.57 0.13 0.00 -1.93 0.00 0.00 57.85 56.63 1gx4 n ARG 138 Cb 0.00 -1.92 0.85 0.00 -1.16 0.00 0.00 32.46 30.23 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 0.60 -1.55 0.05 -1.81 -1.72 116.97 112.54 1gx4 h TYR 139 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1gx4 h TYR 139 Cb 0.11 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.85 1gx4 h TYR 139 CO 0.00 0.00 -0.29 0.82 -1.05 0.00 0.00 178.16 177.64 1gx4 h ILE 140 N 0.00 0.30 -0.18 -2.88 2.04 -1.56 -1.98 117.51 113.26 1gx4 h ILE 140 Ca -0.00 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 1gx4 h ILE 140 Cb 0.00 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1gx4 h ILE 140 CO 0.00 0.03 -0.39 -0.33 0.00 0.00 0.00 178.15 177.46 1gx4 h GLU 141 N -1.01 0.40 -0.32 2.37 3.07 -1.73 -2.41 114.58 114.96 1gx4 h GLU 141 Ca -0.08 -0.19 -0.18 0.00 -0.50 0.00 0.00 59.36 58.41 1gx4 h GLU 141 Cb 0.67 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1gx4 h GLU 141 CO 0.14 0.73 -0.51 0.45 -1.40 0.00 0.00 179.01 178.42 1gx4 h HIS 142 N 0.34 1.11 0.00 4.33 3.86 -1.35 -3.43 115.15 120.01 1gx4 h HIS 142 Ca 0.03 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1gx4 h HIS 142 Cb 0.84 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1gx4 h HIS 142 CO 0.02 1.21 -0.50 0.66 0.86 0.00 0.00 177.93 180.18 1gx4 n TYR 143 N -4.02 0.00 -0.09 2.45 0.53 -0.75 -4.86 117.16 110.42 1gx4 n TYR 143 Ca -0.04 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.72 1gx4 n TYR 143 Cb 0.61 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.88 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 0.67 0.03 7.72 5.85 -1.42 -1.43 115.31 126.73 1gx4 h LEU 144 Ca 0.00 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1gx4 h LEU 144 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1gx4 h LEU 144 CO 0.00 0.97 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.89 1gx4 h GLU 145 N 0.37 -0.18 -0.85 1.25 4.81 -1.89 -1.45 114.58 116.64 1gx4 h GLU 145 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1gx4 h GLU 145 Cb 0.75 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1gx4 h GLU 145 CO 0.06 -0.12 0.57 0.93 -0.73 0.00 0.00 179.01 179.71 1gx4 h GLU 146 N -0.18 1.11 0.45 1.92 5.08 -1.86 -0.15 114.58 120.94 1gx4 h GLU 146 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1gx4 h GLU 146 Cb 0.22 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1gx4 h GLU 146 CO -0.08 0.73 -0.22 0.35 -1.00 0.00 0.00 179.01 178.80 1gx4 h PHE 147 N 1.14 -0.56 -0.37 4.33 3.57 -1.03 -2.48 116.94 121.55 1gx4 h PHE 147 Ca 0.32 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 1gx4 h PHE 147 Cb -0.11 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1gx4 h PHE 147 CO -0.00 -0.32 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.44 1gx4 h LEU 148 N -0.65 0.77 -0.80 0.59 3.38 -1.01 -0.60 115.31 116.98 1gx4 h LEU 148 Ca -0.06 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1gx4 h LEU 148 Cb 0.49 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1gx4 h LEU 148 CO 0.10 0.99 0.50 0.74 0.09 0.00 0.00 178.44 180.86 1gx4 h THR 149 N 0.65 1.22 -0.02 0.22 2.02 -1.05 -1.18 112.91 114.77 1gx4 h THR 149 Ca 0.09 -0.45 -0.21 0.00 0.77 0.00 0.00 66.41 66.61 1gx4 h THR 149 Cb 0.76 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1gx4 h THR 149 CO 0.06 0.22 -0.87 0.77 0.37 0.00 0.00 175.52 176.07 1gx4 h SER 150 N 1.09 0.47 -0.62 4.18 4.64 -1.17 -3.03 113.55 119.11 1gx4 h SER 150 Ca 0.29 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1gx4 h SER 150 Cb -0.07 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1gx4 h SER 150 CO -0.06 1.14 0.22 0.00 -0.87 0.00 0.00 176.83 177.26 1gx4 h ALA 151 N 0.84 0.81 -0.93 5.18 0.00 -0.89 -2.07 119.26 122.19 1gx4 h ALA 151 Ca -0.06 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1gx4 h ALA 151 Cb 1.49 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1gx4 h ALA 151 CO 0.15 0.45 0.59 -0.97 0.00 0.00 0.00 179.25 179.46 1gx4 h ASN 152 N 0.88 0.91 0.65 0.00 -1.24 -1.17 -0.81 115.58 114.80 1gx4 h ASN 152 Ca 0.20 0.02 -0.19 0.00 0.71 0.00 0.00 56.30 57.04 1gx4 h ASN 152 Cb 0.24 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1gx4 h ASN 152 CO -0.01 0.56 -0.86 0.50 -1.29 0.00 0.00 177.43 176.33 1gx4 h LYS 153 N 1.04 0.14 0.00 6.67 3.64 -1.36 -3.41 116.57 123.28 1gx4 h LYS 153 Ca 0.42 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1gx4 h LYS 153 Cb 0.23 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1gx4 h LYS 153 CO -0.19 0.92 -0.49 0.72 -2.27 0.00 0.00 179.45 178.14 1gx4 n HIS 154 N -3.63 0.00 -3.10 1.91 8.25 -0.81 -4.92 115.22 112.93 1gx4 n HIS 154 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1gx4 n HIS 154 Cb 0.80 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.85 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 -1.25 3.17 -1.42 4.41 5.36 -0.33 -1.79 117.98 126.13 1gx4 s PHE 155 Ca 0.00 0.44 -0.08 0.00 -0.96 0.00 0.00 56.93 56.32 1gx4 s PHE 155 Cb 0.00 -3.12 0.04 0.00 -0.34 0.00 0.00 43.02 39.60 1gx4 s PHE 155 CO 0.00 -0.59 0.94 -1.33 -1.46 0.00 0.00 175.22 172.78 1gx4 n MET 156 N 6.04 -5.86 -1.74 10.12 2.81 -0.34 -4.88 117.12 123.26 1gx4 n MET 156 Ca -0.01 0.66 -0.42 0.00 -1.81 0.00 0.00 57.70 56.12 1gx4 n MET 156 Cb 0.49 -5.50 -0.02 0.00 -0.71 0.00 0.00 33.22 27.48 1gx4 n MET 156 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1gx4 n VAL 157 N -4.60 0.99 -0.02 2.03 0.31 -1.26 -2.24 118.33 113.54 1gx4 n VAL 157 Ca -0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1gx4 n VAL 157 Cb 0.58 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1gx4 n VAL 157 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gx4 n GLY 158 N 2.22 0.30 3.21 2.92 0.00 -1.26 -4.99 105.19 107.59 1gx4 n GLY 158 Ca 0.09 0.00 -0.22 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 -2.05 1.52 0.25 1.61 4.02 -0.95 -5.01 115.29 114.67 1gx4 s HIS 159 Ca 0.00 -0.38 -0.31 0.00 1.02 0.00 0.00 55.06 55.39 1gx4 s HIS 159 Cb 0.00 -0.88 -0.12 0.00 -1.02 0.00 0.00 32.58 30.55 1gx4 s HIS 159 CO 0.00 0.08 1.59 -2.30 1.02 0.00 0.00 174.74 175.13 1gx4 n PRO 160 N 1.69 2.53 -4.58 8.40 -0.02 -1.26 -4.80 135.00 136.96 1gx4 n PRO 160 Ca -0.18 0.90 -0.22 0.00 -2.02 0.00 0.00 63.50 61.98 1gx4 n PRO 160 Cb 0.54 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 1gx4 n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gx4 s VAL 161 N 0.37 1.09 -0.18 -1.45 1.01 0.04 -1.64 120.40 119.64 1gx4 s VAL 161 Ca 0.69 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1gx4 s VAL 161 Cb -0.55 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1gx4 s VAL 161 CO 0.44 0.25 -0.19 -0.63 0.00 0.00 0.00 175.10 174.96 1gx4 s ILE 162 N -0.42 2.02 -0.14 2.22 1.01 -0.78 -2.19 121.20 122.93 1gx4 s ILE 162 Ca 0.05 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1gx4 s ILE 162 Cb -0.06 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1gx4 s ILE 162 CO -0.00 0.53 0.57 -0.36 0.00 0.00 0.00 174.94 175.68 1gx4 s PHE 163 N 1.30 3.46 -0.37 3.97 2.99 -0.65 -1.73 117.98 126.96 1gx4 s PHE 163 Ca 0.05 0.96 -0.10 0.00 0.00 0.00 0.00 56.93 57.84 1gx4 s PHE 163 Cb -0.13 -2.69 0.04 0.00 0.00 0.00 0.00 43.02 40.23 1gx4 s PHE 163 CO -0.13 0.01 0.19 0.71 -0.00 0.00 0.00 175.22 176.00 1gx4 s TYR 164 N 1.20 3.26 -0.22 0.36 1.51 0.39 -1.75 117.35 122.10 1gx4 s TYR 164 Ca 0.29 -1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 1gx4 s TYR 164 Cb -0.16 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 1gx4 s TYR 164 CO 0.12 -0.70 0.00 0.42 -1.11 0.00 0.00 175.55 174.28 1gx4 s ILE 165 N 1.50 3.87 -0.23 2.71 1.01 -0.58 -1.73 121.20 127.74 1gx4 s ILE 165 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1gx4 s ILE 165 Cb -0.20 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1gx4 s ILE 165 CO 0.05 0.41 -0.02 -0.04 0.00 0.00 0.00 174.94 175.34 1gx4 s MET 166 N 1.28 3.37 0.06 2.79 -1.94 -0.46 -1.14 119.30 123.25 1gx4 s MET 166 Ca 0.04 -0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1gx4 s MET 166 Cb -0.15 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 1gx4 s MET 166 CO 0.01 -0.23 -0.04 0.14 -0.01 0.00 0.00 175.02 174.89 1gx4 s VAL 167 N 1.49 0.37 -0.60 -6.03 -7.23 -0.78 -1.24 120.40 106.37 1gx4 s VAL 167 Ca 0.05 -1.80 0.24 0.00 -1.81 0.00 0.00 61.98 58.67 1gx4 s VAL 167 Cb -0.15 -1.50 0.11 0.00 0.56 0.00 0.00 36.38 35.41 1gx4 s VAL 167 CO -0.02 -0.93 1.41 -2.24 -0.31 0.00 0.00 175.10 173.01 1gx4 h ASP 168 N 3.19 0.00 -2.80 4.85 2.03 -1.72 -0.49 116.42 121.48 1gx4 h ASP 168 Ca -0.34 -0.13 -0.50 0.00 -0.73 0.00 0.00 57.03 55.32 1gx4 h ASP 168 Cb 1.15 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.26 1gx4 h ASP 168 CO 0.64 0.07 -0.76 -0.62 -1.03 0.00 0.00 179.24 177.53 1gx4 s ASP 169 N -4.54 3.16 0.50 4.15 -1.08 -1.26 -4.72 116.67 112.88 1gx4 s ASP 169 Ca 0.07 -1.11 0.29 0.00 -0.52 0.00 0.00 52.55 51.27 1gx4 s ASP 169 Cb 0.12 -0.26 1.22 0.00 -1.46 0.00 0.00 42.92 42.54 1gx4 s ASP 169 CO 0.70 -0.42 1.94 0.58 0.52 0.00 0.00 175.17 178.49 1gx4 h VAL 170 N 6.40 0.34 0.00 1.11 2.07 -1.93 -2.25 116.25 121.99 1gx4 h VAL 170 Ca -0.19 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1gx4 h VAL 170 Cb 1.04 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1gx4 h VAL 170 CO 0.40 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 176.57 1gx4 n SER 171 N -3.32 0.02 -0.99 0.57 3.41 -1.26 -1.70 113.62 110.35 1gx4 n SER 171 Ca -0.00 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1gx4 n SER 171 Cb 0.34 -0.51 0.14 0.00 -0.26 0.00 0.00 64.21 63.92 1gx4 n SER 171 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gx4 n ARG 172 N -1.52 2.27 -2.11 4.33 1.74 -0.85 -4.98 116.66 115.54 1gx4 n ARG 172 Ca 0.03 -2.02 -0.42 0.00 -0.77 0.00 0.00 57.85 54.67 1gx4 n ARG 172 Cb 0.15 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1gx4 n ARG 172 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1gx4 s MET 173 N -1.69 4.24 -0.32 5.56 -2.45 -0.69 -4.87 119.30 119.09 1gx4 s MET 173 Ca 0.31 2.09 -0.29 0.00 -1.25 0.00 0.00 55.69 56.55 1gx4 s MET 173 Cb 0.20 -3.64 0.01 0.00 1.25 0.00 0.00 34.83 32.65 1gx4 s MET 173 CO 0.29 -0.66 1.19 -1.25 1.05 0.00 0.00 175.02 175.65 1gx4 s PRO 174 N 2.71 3.97 -1.20 4.11 0.04 -1.26 -4.97 135.00 138.40 1gx4 s PRO 174 Ca 0.68 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 1gx4 s PRO 174 Cb -0.34 -3.82 0.22 0.00 0.04 0.00 0.00 34.50 30.60 1gx4 s PRO 174 CO 0.28 -1.05 1.75 1.28 0.04 0.00 0.00 177.00 179.31 1gx4 n LEU 175 N 7.32 6.65 -4.69 -3.56 4.77 -1.26 -4.93 117.00 121.31 1gx4 n LEU 175 Ca 0.13 -4.89 -0.30 0.00 -0.03 0.00 0.00 56.01 50.92 1gx4 n LEU 175 Cb 0.47 -1.39 0.15 0.00 -2.33 0.00 0.00 43.42 40.32 1gx4 n LEU 175 CO 0.62 1.54 0.66 0.27 -1.33 0.00 0.00 177.39 179.15 1gx4 s ILE 176 N -0.99 2.58 0.04 -0.08 -4.36 -1.26 -5.01 121.20 112.13 1gx4 s ILE 176 Ca 0.37 0.19 -0.30 0.00 -0.26 0.00 0.00 60.65 60.65 1gx4 s ILE 176 Cb 0.08 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 1gx4 s ILE 176 CO 0.04 -0.25 0.96 -0.70 0.24 0.00 0.00 174.94 175.23 1gx4 s GLU 177 N -4.78 4.61 0.12 0.37 2.12 -1.26 -5.06 118.70 114.82 1gx4 s GLU 177 Ca 0.64 1.41 0.04 0.00 0.36 0.00 0.00 54.97 57.42 1gx4 s GLU 177 Cb -0.20 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1gx4 s GLU 177 CO 0.58 0.06 0.15 -0.51 -0.54 0.00 0.00 175.26 174.99 1gx4 s LEU 178 N 0.60 3.93 0.00 2.70 1.43 -1.26 -5.03 118.68 121.06 1gx4 s LEU 178 Ca 0.49 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1gx4 s LEU 178 Cb -0.22 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.50 1gx4 s LEU 178 CO 0.28 0.11 0.42 0.61 0.23 0.00 0.00 176.35 178.00 1gx4 n GLY 179 N -0.05 1.41 3.72 -3.19 0.00 -1.26 -4.98 105.19 100.84 1gx4 n GLY 179 Ca -0.08 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.72 2.32 -1.04 1.61 -0.02 -1.26 -2.34 135.00 132.55 1gx4 n PRO 180 Ca 0.08 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.36 1gx4 n PRO 180 Cb 0.28 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.09 0.27 -4.61 2.45 4.77 -1.26 -4.90 117.00 114.81 1gx4 n LEU 181 Ca 0.05 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1gx4 n LEU 181 Cb 0.36 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 39.98 1gx4 n LEU 181 CO 0.63 -0.43 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.76 1gx4 s ARG 182 N -1.13 2.64 0.30 3.23 3.00 -0.99 -0.78 118.95 125.22 1gx4 s ARG 182 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 55.73 55.00 1gx4 s ARG 182 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 34.95 32.40 1gx4 s ARG 182 CO 0.00 0.62 0.48 -1.54 0.00 0.00 0.00 175.30 174.86 1gx4 s SER 183 N -1.27 0.40 0.32 0.23 1.04 -0.93 -4.74 113.70 108.75 1gx4 s SER 183 Ca 0.16 -1.24 -0.10 0.00 0.48 0.00 0.00 55.95 55.25 1gx4 s SER 183 Cb -0.11 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1gx4 s SER 183 CO 0.06 -1.23 0.57 0.72 0.98 0.00 0.00 173.24 174.34 1gx4 s PHE 184 N -3.45 0.54 0.04 5.02 -0.12 -1.26 -1.63 117.98 117.12 1gx4 s PHE 184 Ca 0.27 -0.94 -0.17 0.00 -0.05 0.00 0.00 56.93 56.04 1gx4 s PHE 184 Cb -0.00 0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1gx4 s PHE 184 CO 0.15 -1.21 0.38 -1.59 -0.05 0.00 0.00 175.22 172.90 1gx4 s LYS 185 N -3.21 0.89 -0.03 1.99 -2.85 -0.72 -4.94 119.74 110.87 1gx4 s LYS 185 Ca 0.23 -0.40 0.06 0.00 -1.00 0.00 0.00 55.97 54.86 1gx4 s LYS 185 Cb -0.02 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1gx4 s LYS 185 CO 0.14 -0.30 -0.20 0.08 0.10 0.00 0.00 175.35 175.17 1gx4 s VAL 186 N -2.50 1.60 -0.02 1.79 1.01 -1.26 -1.53 120.40 119.49 1gx4 s VAL 186 Ca -0.05 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1gx4 s VAL 186 Cb -0.01 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1gx4 s VAL 186 CO -0.03 0.45 -0.16 -0.36 0.00 0.00 0.00 175.10 175.01 1gx4 s PHE 187 N -0.32 1.46 -0.20 5.22 0.40 -0.29 -4.98 117.98 119.27 1gx4 s PHE 187 Ca 0.04 -0.30 -0.24 0.00 -0.60 0.00 0.00 56.93 55.83 1gx4 s PHE 187 Cb -0.09 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 1gx4 s PHE 187 CO 0.00 -0.04 0.81 0.21 0.70 0.00 0.00 175.22 176.90 1gx4 s LYS 188 N -0.31 4.25 0.30 0.44 2.20 -1.26 -1.87 119.74 123.49 1gx4 s LYS 188 Ca 0.05 0.94 0.10 0.00 -0.36 0.00 0.00 55.97 56.70 1gx4 s LYS 188 Cb -0.07 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1gx4 s LYS 188 CO -0.00 -0.38 -0.02 0.96 -0.36 0.00 0.00 175.35 175.54 1gx4 s ILE 189 N 2.36 2.99 0.16 5.43 -4.36 -0.19 -4.94 121.20 122.65 1gx4 s ILE 189 Ca 0.36 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 1gx4 s ILE 189 Cb -0.16 -2.75 -0.08 0.00 1.25 0.00 0.00 42.46 40.73 1gx4 s ILE 189 CO 0.10 -0.31 1.26 -0.75 0.24 0.00 0.00 174.94 175.49 1gx4 s LYS 190 N -3.67 4.42 -0.22 0.37 2.20 -1.26 -4.17 119.74 117.41 1gx4 s LYS 190 Ca 0.33 1.95 -0.27 0.00 -0.36 0.00 0.00 55.97 57.61 1gx4 s LYS 190 Cb -0.04 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1gx4 s LYS 190 CO 0.19 -0.22 0.94 -1.25 -0.36 0.00 0.00 175.35 174.66 1gx4 s PRO 191 N 0.17 4.25 0.59 4.03 0.04 -1.26 -4.97 135.00 137.85 1gx4 s PRO 191 Ca 0.57 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 1gx4 s PRO 191 Cb -0.34 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 1gx4 s PRO 191 CO 0.35 -0.54 1.09 -1.21 0.04 0.00 0.00 177.00 176.73 1gx4 s GLU 192 N 2.89 3.20 0.17 4.56 0.41 -1.26 -4.97 118.70 123.70 1gx4 s GLU 192 Ca 0.40 1.36 -0.05 0.00 -0.41 0.00 0.00 54.97 56.28 1gx4 s GLU 192 Cb -0.15 -2.01 0.05 0.00 -1.78 0.00 0.00 34.13 30.24 1gx4 s GLU 192 CO 0.08 -0.93 1.46 0.87 -0.49 0.00 0.00 175.26 176.25 1gx4 h LYS 193 N 0.57 0.59 -5.48 1.61 1.57 -1.96 -3.44 116.57 110.03 1gx4 h LYS 193 Ca -0.48 -0.40 -0.64 0.00 -1.87 0.00 0.00 60.65 57.27 1gx4 h LYS 193 Cb 1.24 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 1gx4 h LYS 193 CO 0.56 1.02 -0.52 1.03 -0.57 0.00 0.00 179.45 180.97 1gx4 s ARG 194 N -3.93 3.74 0.40 3.15 0.52 -1.26 -4.91 118.95 116.66 1gx4 s ARG 194 Ca -0.08 -0.24 0.13 0.00 -0.52 0.00 0.00 55.73 55.02 1gx4 s ARG 194 Cb 0.11 -3.22 0.96 0.00 0.52 0.00 0.00 34.95 33.32 1gx4 s ARG 194 CO 0.85 0.50 1.93 0.11 0.02 0.00 0.00 175.30 178.71 1gx4 h TRP 195 N 5.93 0.58 -0.93 -0.53 5.08 -1.90 -0.57 115.95 123.61 1gx4 h TRP 195 Ca -0.46 0.02 0.02 0.00 1.08 0.00 0.00 58.89 59.55 1gx4 h TRP 195 Cb 1.19 -0.19 -0.05 0.00 -3.00 0.00 0.00 29.16 27.11 1gx4 h TRP 195 CO 0.64 0.24 0.62 1.96 -1.28 0.00 0.00 178.44 180.62 1gx4 h GLN 196 N 0.52 1.20 0.00 0.12 7.50 -1.96 -1.85 115.11 120.65 1gx4 h GLN 196 Ca 0.36 -0.07 -0.14 0.00 0.50 0.00 0.00 58.65 59.30 1gx4 h GLN 196 Cb 0.69 -0.27 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 1gx4 h GLN 196 CO -0.13 0.80 -0.67 -0.44 -1.50 0.00 0.00 178.83 176.89 1gx4 h ASP 197 N 1.24 0.00 -0.25 1.46 3.32 -1.54 -1.96 116.42 118.70 1gx4 h ASP 197 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1gx4 h ASP 197 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1gx4 h ASP 197 CO -0.09 0.67 0.16 0.40 -1.72 0.00 0.00 179.24 178.66 1gx4 h ILE 198 N 0.00 1.05 -0.44 0.35 2.04 -0.81 0.10 117.51 119.80 1gx4 h ILE 198 Ca -0.01 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1gx4 h ILE 198 Cb 1.48 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1gx4 h ILE 198 CO 0.09 0.06 0.06 0.28 0.00 0.00 0.00 178.15 178.64 1gx4 h SER 199 N 0.33 0.71 0.51 1.72 0.02 -1.22 -3.25 113.55 112.37 1gx4 h SER 199 Ca 0.09 -0.27 -0.21 0.00 -0.84 0.00 0.00 61.79 60.57 1gx4 h SER 199 Cb -0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1gx4 h SER 199 CO -0.03 0.80 -0.90 0.24 -1.14 0.00 0.00 176.83 175.80 1gx4 h MET 200 N 0.60 0.26 0.00 3.45 2.86 -1.22 -3.18 114.93 117.70 1gx4 h MET 200 Ca 0.13 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1gx4 h MET 200 Cb 0.40 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1gx4 h MET 200 CO 0.01 1.00 0.00 1.98 1.06 0.00 0.00 176.91 180.96 1gx4 h MET 201 N 0.14 0.00 -1.02 1.72 -1.53 -0.83 -2.49 114.93 110.93 1gx4 h MET 201 Ca -0.06 0.00 0.25 0.00 -3.44 0.00 0.00 59.70 56.45 1gx4 h MET 201 Cb 1.53 0.00 -0.11 0.00 -0.55 0.00 0.00 31.60 32.48 1gx4 h MET 201 CO 0.14 0.00 0.63 0.00 0.14 0.00 0.00 176.91 177.83 1gx4 h ARG 202 N 0.00 0.50 -0.63 0.39 3.08 -1.61 -1.48 114.38 114.64 1gx4 h ARG 202 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1gx4 h ARG 202 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1gx4 h ARG 202 CO 0.00 0.33 0.35 0.52 -1.07 0.00 0.00 179.97 180.10 1gx4 h MET 203 N 0.52 0.87 0.12 0.04 2.86 -1.67 -0.23 114.93 117.44 1gx4 h MET 203 Ca 0.61 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 58.14 1gx4 h MET 203 Cb 1.31 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1gx4 h MET 203 CO -0.37 0.66 -0.06 -0.22 1.06 0.00 0.00 176.91 177.98 1gx4 h LYS 204 N 0.85 -0.16 -0.44 1.72 3.64 -1.48 -3.01 116.57 117.70 1gx4 h LYS 204 Ca 0.22 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1gx4 h LYS 204 Cb 0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1gx4 h LYS 204 CO -0.04 0.12 0.27 1.15 -2.27 0.00 0.00 179.45 178.69 1gx4 h THR 205 N -0.43 1.07 -0.55 1.00 2.02 -1.28 -2.25 112.91 112.51 1gx4 h THR 205 Ca -0.02 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1gx4 h THR 205 Cb 0.35 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1gx4 h THR 205 CO 0.03 0.10 0.28 0.40 0.37 0.00 0.00 175.52 176.70 1gx4 h ILE 206 N 0.56 0.95 -0.46 3.11 2.04 -1.10 -1.54 117.51 121.06 1gx4 h ILE 206 Ca 0.17 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1gx4 h ILE 206 Cb -0.02 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1gx4 h ILE 206 CO -0.06 0.10 0.28 1.23 0.00 0.00 0.00 178.15 179.69 1gx4 h GLY 207 N 0.53 0.65 0.77 5.37 0.00 -1.34 -0.10 103.07 108.95 1gx4 h GLY 207 Ca 0.24 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1gx4 h GLY 207 CO -0.17 0.18 0.32 0.83 0.00 0.00 0.00 176.54 177.70 1gx4 h GLU 208 N 0.56 0.59 -0.11 4.80 5.08 -1.00 -2.26 114.58 122.24 1gx4 h GLU 208 Ca 0.18 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1gx4 h GLU 208 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1gx4 h GLU 208 CO -0.08 0.39 -0.45 0.45 -1.00 0.00 0.00 179.01 178.32 1gx4 h HIS 209 N 0.61 0.30 -0.62 4.33 3.86 -0.78 -1.74 115.15 121.10 1gx4 h HIS 209 Ca 0.24 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1gx4 h HIS 209 Cb 0.11 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1gx4 h HIS 209 CO -0.08 0.66 0.21 0.82 0.86 0.00 0.00 177.93 180.40 1gx4 h ILE 210 N 0.21 1.24 -0.43 2.45 2.04 -0.53 -1.29 117.51 121.20 1gx4 h ILE 210 Ca 0.01 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 1gx4 h ILE 210 Cb 0.88 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1gx4 h ILE 210 CO 0.07 0.31 -0.31 0.58 0.00 0.00 0.00 178.15 178.80 1gx4 h VAL 211 N 0.89 1.27 -0.09 1.67 2.07 -1.27 -1.91 116.25 118.88 1gx4 h VAL 211 Ca 0.20 -1.48 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 1gx4 h VAL 211 Cb 0.27 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1gx4 h VAL 211 CO -0.01 0.50 -0.83 0.00 0.02 0.00 0.00 177.57 177.25 1gx4 h ALA 212 N 0.82 0.36 0.00 1.67 0.00 -1.23 -3.45 119.26 117.43 1gx4 h ALA 212 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1gx4 h ALA 212 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gx4 h ALA 212 CO 0.08 0.72 0.00 -2.39 0.00 0.00 0.00 179.25 177.66 1gx4 n HIS 213 N -3.87 0.00 0.03 0.00 -0.00 -0.63 -4.97 115.22 105.78 1gx4 n HIS 213 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.64 1gx4 n HIS 213 Cb 0.77 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 31.05 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 1.21 -0.10 0.61 2.04 -1.26 -1.33 117.51 118.69 1gx4 h ILE 214 Ca 0.00 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1gx4 h ILE 214 Cb 0.00 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1gx4 h ILE 214 CO 0.00 0.30 0.11 0.06 0.00 0.00 0.00 178.15 178.62 1gx4 h GLN 215 N 0.42 0.00 -0.01 2.37 3.07 -1.59 -0.83 115.11 118.55 1gx4 h GLN 215 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1gx4 h GLN 215 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1gx4 h GLN 215 CO 0.02 0.00 -0.50 0.72 0.09 0.00 0.00 178.83 179.16 1gx4 n HIS 216 N -3.84 0.00 -0.04 0.06 8.25 -0.51 -4.51 115.22 114.63 1gx4 n HIS 216 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1gx4 n HIS 216 Cb 0.21 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.90 1.80 -4.14 -0.41 1.02 -0.34 -5.06 120.64 112.60 1gx4 n GLU 217 Ca 0.08 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 1gx4 n GLU 217 Cb 0.37 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.39 0.62 -0.12 2.62 -7.23 -1.03 -4.81 120.40 108.07 1gx4 s VAL 218 Ca -0.05 -1.77 0.17 0.00 -1.81 0.00 0.00 61.98 58.52 1gx4 s VAL 218 Cb 0.04 -1.47 -0.16 0.00 0.56 0.00 0.00 36.38 35.34 1gx4 s VAL 218 CO 0.44 -0.80 0.72 0.47 -0.31 0.00 0.00 175.10 175.62 1gx4 n ASP 219 N 0.24 0.73 -3.87 4.85 8.00 -0.10 -4.81 116.55 121.59 1gx4 n ASP 219 Ca -0.14 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1gx4 n ASP 219 Cb 0.60 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.90 0.03 -0.02 1.24 0.40 -1.23 -4.34 117.98 111.16 1gx4 s PHE 220 Ca -0.04 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1gx4 s PHE 220 Cb 0.09 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.57 1gx4 s PHE 220 CO 0.82 -0.28 -0.08 -1.17 0.70 0.00 0.00 175.22 175.21 1gx4 s LEU 221 N -1.35 1.81 0.04 -0.37 2.96 0.17 -1.34 118.68 120.58 1gx4 s LEU 221 Ca -0.14 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1gx4 s LEU 221 Cb -0.07 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1gx4 s LEU 221 CO 0.02 0.06 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.66 1gx4 s PHE 222 N 0.16 2.82 -0.19 5.38 0.08 -0.54 -1.15 117.98 124.55 1gx4 s PHE 222 Ca -0.02 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1gx4 s PHE 222 Cb -0.07 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1gx4 s PHE 222 CO 0.00 0.38 -0.18 0.00 -0.10 0.00 0.00 175.22 175.32 1gx4 s MET 224 N 1.29 0.87 0.71 0.00 -1.94 -0.83 -2.26 119.30 117.15 1gx4 s MET 224 Ca 0.03 -0.87 -0.16 0.00 -1.71 0.00 0.00 55.69 52.98 1gx4 s MET 224 Cb -0.14 -0.89 0.03 0.00 2.01 0.00 0.00 34.83 35.84 1gx4 s MET 224 CO -0.12 0.21 1.22 -0.51 -0.01 0.00 0.00 175.02 175.81 1gx4 s ASP 225 N -1.48 4.29 0.19 3.03 1.11 -0.51 -4.33 116.67 118.97 1gx4 s ASP 225 Ca -0.00 2.40 0.20 0.00 0.18 0.00 0.00 52.55 55.33 1gx4 s ASP 225 Cb -0.09 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.30 1gx4 s ASP 225 CO 0.02 -2.20 1.06 1.62 1.18 0.00 0.00 175.17 176.85 1gx4 h VAL 226 N -0.11 0.22 -0.36 -1.27 3.04 -1.93 -3.41 116.25 112.43 1gx4 h VAL 226 Ca -0.48 -1.40 -0.42 0.00 -1.01 0.00 0.00 66.70 63.38 1gx4 h VAL 226 Cb 1.30 1.78 -0.08 0.00 -2.01 0.00 0.00 31.29 32.29 1gx4 h VAL 226 CO 0.50 0.13 1.01 -0.90 -1.01 0.00 0.00 177.57 177.30 1gx4 n ASP 227 N -2.82 6.58 -3.67 3.17 5.75 -1.26 -4.69 116.55 119.60 1gx4 n ASP 227 Ca -0.03 -2.73 -0.09 0.00 -0.01 0.00 0.00 54.79 51.94 1gx4 n ASP 227 Cb 0.65 -1.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.32 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 0.43 1.53 -0.02 0.11 -2.07 -1.26 -1.55 119.66 116.83 1gx4 s GLN 228 Ca 0.65 -0.75 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 1gx4 s GLN 228 Cb 0.29 0.59 0.03 0.00 -1.09 0.00 0.00 33.01 32.82 1gx4 s GLN 228 CO -0.07 -0.69 0.02 0.08 -1.32 0.00 0.00 175.29 173.31 1gx4 s VAL 229 N -3.80 0.00 0.25 3.63 1.01 -0.57 -4.43 120.40 116.50 1gx4 s VAL 229 Ca 0.07 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1gx4 s VAL 229 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 1gx4 s VAL 229 CO -0.02 0.09 1.25 -0.36 0.00 0.00 0.00 175.10 176.07 1gx4 s PHE 230 N 0.93 3.28 -0.01 5.22 0.40 -1.26 -1.18 117.98 125.35 1gx4 s PHE 230 Ca -0.08 1.40 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 1gx4 s PHE 230 Cb -0.12 -3.54 -0.04 0.00 0.51 0.00 0.00 43.02 39.83 1gx4 s PHE 230 CO -0.02 -1.53 0.06 1.04 0.70 0.00 0.00 175.22 175.47 1gx4 n GLN 231 N 1.76 0.29 -3.52 0.44 1.13 0.23 -4.86 117.38 112.86 1gx4 n GLN 231 Ca 0.03 -0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 55.00 1gx4 n GLN 231 Cb 0.43 -1.05 0.02 0.00 0.11 0.00 0.00 30.24 29.76 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 -1.57 -1.95 -4.71 1.08 -0.08 -1.17 -4.91 116.55 103.25 1gx4 n ASP 232 Ca -0.00 -2.28 -0.42 0.00 -1.51 0.00 0.00 54.79 50.57 1gx4 n ASP 232 Cb 0.07 3.22 -0.03 0.00 2.34 0.00 0.00 41.12 46.72 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 -2.07 4.13 -0.50 -0.67 -0.14 -1.26 -4.76 119.74 114.46 1gx4 s LYS 233 Ca 0.16 2.62 0.04 0.00 -1.36 0.00 0.00 55.97 57.42 1gx4 s LYS 233 Cb -0.04 -3.32 0.13 0.00 -1.68 0.00 0.00 37.83 32.92 1gx4 s LYS 233 CO 0.09 -0.80 0.25 0.12 -0.76 0.00 0.00 175.35 174.25 1gx4 s PHE 234 N 1.92 3.01 0.00 3.18 5.36 -0.74 -4.88 117.98 125.82 1gx4 s PHE 234 Ca 0.78 -3.05 0.00 0.00 -0.96 0.00 0.00 56.93 53.70 1gx4 s PHE 234 Cb -0.48 -2.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.52 1gx4 s PHE 234 CO 0.34 -0.75 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 1gx4 n GLY 235 N 3.21 7.34 0.11 13.12 0.00 -1.26 -1.20 105.19 126.50 1gx4 n GLY 235 Ca 0.05 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.00 0.96 0.20 1.61 0.24 -1.26 -1.65 118.33 118.43 1gx4 n VAL 236 Ca 0.00 0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.77 1gx4 n VAL 236 Cb 0.00 -1.26 0.67 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.95 -2.33 114.58 126.73 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 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1gx4 h GLU 237 CO 0.00 0.00 -0.41 0.25 0.05 0.00 0.00 179.01 178.90 1gx4 n THR 238 N -2.38 0.00 -2.60 -1.06 -2.24 -0.66 -4.97 114.28 100.37 1gx4 n THR 238 Ca -0.01 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 1gx4 n THR 238 Cb 0.05 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.65 3.98 0.00 3.22 1.43 -0.88 -4.95 118.68 118.82 1gx4 s LEU 239 Ca 0.19 1.92 -0.25 0.00 -1.03 0.00 0.00 54.13 54.95 1gx4 s LEU 239 Cb 0.18 -4.42 0.08 0.00 0.03 0.00 0.00 46.19 42.07 1gx4 s LEU 239 CO 0.60 -0.58 1.13 0.61 0.23 0.00 0.00 176.35 178.33 1gx4 n GLY 240 N -0.10 0.17 0.18 -3.19 0.00 -1.26 -5.02 105.19 95.97 1gx4 n GLY 240 Ca 0.07 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 0.55 -3.24 1.61 4.39 -1.92 -3.24 114.58 112.73 1gx4 h GLU 241 Ca -0.16 -0.23 -0.29 0.00 0.34 0.00 0.00 59.36 59.01 1gx4 h GLU 241 Cb 0.98 -0.02 -0.35 0.00 -0.10 0.00 0.00 28.75 29.26 1gx4 h GLU 241 CO 0.25 0.79 -0.66 0.45 -1.16 0.00 0.00 179.01 178.68 1gx4 s SER 242 N -6.21 0.45 -0.10 1.42 0.15 -1.26 -2.03 113.70 106.11 1gx4 s SER 242 Ca -0.13 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1gx4 s SER 242 Cb 0.08 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1gx4 s SER 242 CO 0.78 -0.20 -0.16 -0.69 1.20 0.00 0.00 173.24 174.17 1gx4 s VAL 243 N 1.75 1.52 0.25 4.45 1.01 0.04 -1.30 120.40 128.12 1gx4 s VAL 243 Ca -0.02 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.40 1gx4 s VAL 243 Cb -0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1gx4 s VAL 243 CO -0.05 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.35 1gx4 s ALA 244 N 0.86 2.83 -0.13 5.51 0.00 -0.69 -1.75 121.76 128.39 1gx4 s ALA 244 Ca -0.09 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1gx4 s ALA 244 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1gx4 s ALA 244 CO 0.00 0.33 -0.14 -1.14 0.00 0.00 0.00 175.76 174.81 1gx4 s GLN 245 N -3.30 3.32 -0.07 0.00 2.00 -1.25 -0.71 119.66 119.64 1gx4 s GLN 245 Ca 0.28 -0.72 -0.30 0.00 -2.00 0.00 0.00 55.36 52.63 1gx4 s GLN 245 Cb -0.06 -2.60 -0.03 0.00 0.80 0.00 0.00 33.01 31.12 1gx4 s GLN 245 CO 0.15 0.17 1.18 -0.51 -0.50 0.00 0.00 175.29 175.78 1gx4 s LEU 246 N 0.45 4.26 0.13 3.68 1.43 -0.87 -0.83 118.68 126.93 1gx4 s LEU 246 Ca -0.11 1.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.45 1gx4 s LEU 246 Cb -0.16 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1gx4 s LEU 246 CO 0.05 -0.58 1.47 -1.58 0.23 0.00 0.00 176.35 175.94 1gx4 s GLN 247 N 2.31 4.27 0.46 1.70 -0.44 -0.87 -4.26 119.66 122.84 1gx4 s GLN 247 Ca 0.55 2.19 0.13 0.00 -2.50 0.00 0.00 55.36 55.73 1gx4 s GLN 247 Cb -0.23 -3.25 1.08 0.00 -1.64 0.00 0.00 33.01 28.97 1gx4 s GLN 247 CO 0.21 -0.52 2.06 0.00 0.50 0.00 0.00 175.29 177.53 1gx4 h ALA 248 N 6.94 1.95 0.00 1.58 0.00 -1.91 -2.50 119.26 125.32 1gx4 h ALA 248 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gx4 h ALA 248 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1gx4 h ALA 248 CO 0.89 -0.01 -0.18 0.91 0.00 0.00 0.00 179.25 180.86 1gx4 n TRP 249 N -4.49 0.02 -0.32 0.00 7.02 -1.26 -4.29 117.44 114.12 1gx4 n TRP 249 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1gx4 n TRP 249 Cb 0.20 -0.42 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 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 -1.51 0.00 0.22 -5.99 7.02 -0.95 -4.82 117.44 111.41 1gx4 n TRP 250 Ca 0.06 -0.14 0.08 0.00 -1.02 0.00 0.00 57.50 56.49 1gx4 n TRP 250 Cb 0.34 -0.01 0.52 0.00 -2.42 0.00 0.00 31.31 29.73 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 -1.73 -1.83 116.97 107.40 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.09 1gx4 h TYR 251 CO 0.00 0.25 -0.15 1.63 -0.00 0.00 0.00 178.16 179.88 1gx4 n LYS 252 N -3.70 1.64 -2.17 0.10 5.02 -1.26 -5.00 118.16 112.80 1gx4 n LYS 252 Ca -0.01 -1.22 -0.31 0.00 -2.02 0.00 0.00 58.31 54.75 1gx4 n LYS 252 Cb 0.36 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.20 3.12 0.18 7.82 0.00 -0.69 -5.05 121.76 124.95 1gx4 s ALA 253 Ca 0.28 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1gx4 s ALA 253 Cb 0.20 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 1gx4 s ALA 253 CO 0.41 -0.46 1.33 0.34 0.00 0.00 0.00 175.76 177.37 1gx4 s ASP 254 N -3.71 6.88 0.60 0.00 2.15 -1.26 -4.94 116.67 116.39 1gx4 s ASP 254 Ca 0.56 2.39 0.29 0.00 0.43 0.00 0.00 52.55 56.22 1gx4 s ASP 254 Cb -0.11 -2.61 1.59 0.00 -0.30 0.00 0.00 42.92 41.50 1gx4 s ASP 254 CO 0.44 -0.55 2.01 -0.65 -0.17 0.00 0.00 175.17 176.24 1gx4 h PRO 255 N 5.62 0.00 0.00 4.34 0.11 -1.90 -1.22 132.00 138.95 1gx4 h PRO 255 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1gx4 h PRO 255 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gx4 h PRO 255 CO 0.79 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.67 1gx4 n ASN 256 N -3.68 0.00 -0.39 -2.05 3.02 -1.26 -1.41 115.26 109.48 1gx4 n ASN 256 Ca 0.04 -0.65 0.09 0.00 -0.03 0.00 0.00 54.58 54.03 1gx4 n ASN 256 Cb 0.47 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.09 1.74 -4.76 6.41 8.00 -0.46 -5.02 116.55 121.38 1gx4 n ASP 257 Ca 0.19 -1.37 -0.36 0.00 0.71 0.00 0.00 54.79 53.95 1gx4 n ASP 257 Cb 0.14 0.53 0.03 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.25 2.46 -0.25 1.24 2.99 -0.50 -4.91 117.98 116.76 1gx4 s PHE 258 Ca 0.15 1.50 -0.04 0.00 0.00 0.00 0.00 56.93 58.54 1gx4 s PHE 258 Cb 0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 43.02 39.65 1gx4 s PHE 258 CO 0.52 -2.17 2.83 0.25 -0.00 0.00 0.00 175.22 176.65 1gx4 n THR 259 N -1.32 3.01 -0.85 0.64 -2.24 -1.26 -4.94 114.28 107.32 1gx4 n THR 259 Ca 0.12 -2.08 -0.32 0.00 -2.27 0.00 0.00 64.05 59.50 1gx4 n THR 259 Cb 0.49 -1.66 0.15 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.75 1.71 0.01 4.78 4.12 -1.26 -4.83 117.35 121.13 1gx4 s TYR 260 Ca 0.51 1.75 -0.30 0.00 0.02 0.00 0.00 57.07 59.05 1gx4 s TYR 260 Cb 0.30 -3.38 -0.07 0.00 -1.52 0.00 0.00 41.96 37.30 1gx4 s TYR 260 CO -0.10 -2.79 1.60 -2.00 0.02 0.00 0.00 175.55 172.28 1gx4 s GLU 261 N -4.49 4.21 0.00 -0.62 2.56 -1.26 -4.92 118.70 114.18 1gx4 s GLU 261 Ca 0.69 2.21 0.14 0.00 0.00 0.00 0.00 54.97 58.00 1gx4 s GLU 261 Cb -0.24 -3.72 0.27 0.00 2.00 0.00 0.00 34.13 32.44 1gx4 s GLU 261 CO 0.55 -0.74 1.16 0.54 -0.56 0.00 0.00 175.26 176.22 1gx4 n ARG 262 N 6.05 2.07 -3.22 4.30 5.12 -1.26 -2.14 116.66 127.58 1gx4 n ARG 262 Ca 0.16 -1.84 -0.39 0.00 -1.93 0.00 0.00 57.85 53.84 1gx4 n ARG 262 Cb 0.42 -1.31 -0.07 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.06 4.19 0.49 5.56 0.52 -1.26 -4.93 118.95 122.46 1gx4 s ARG 263 Ca 0.24 0.45 0.33 0.00 -0.52 0.00 0.00 55.73 56.23 1gx4 s ARG 263 Cb 0.14 -3.57 1.62 0.00 0.52 0.00 0.00 34.95 33.65 1gx4 s ARG 263 CO 0.19 -0.18 2.00 1.57 0.02 0.00 0.00 175.30 178.89 1gx4 h LYS 264 N 7.50 0.00 0.00 3.54 2.10 -1.98 -2.21 116.57 125.53 1gx4 h LYS 264 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1gx4 h LYS 264 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1gx4 h LYS 264 CO 0.74 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.58 1gx4 n GLU 265 N -2.76 0.20 -3.25 0.07 4.71 -1.26 -4.78 120.64 113.58 1gx4 n GLU 265 Ca -0.01 0.34 -0.37 0.00 -0.01 0.00 0.00 57.16 57.11 1gx4 n GLU 265 Cb 0.16 -1.83 -0.06 0.00 -1.01 0.00 0.00 31.44 28.70 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 -4.24 7.01 0.63 1.62 0.15 -0.83 -4.96 113.70 113.07 1gx4 s SER 266 Ca 0.06 1.26 0.37 0.00 0.70 0.00 0.00 55.95 58.35 1gx4 s SER 266 Cb 0.10 -2.36 2.11 0.00 -1.71 0.00 0.00 66.02 64.17 1gx4 s SER 266 CO 0.45 0.17 2.31 0.00 1.20 0.00 0.00 173.24 177.37 1gx4 h ALA 267 N 3.99 1.24 -0.02 5.45 0.00 -1.86 -2.34 119.26 125.72 1gx4 h ALA 267 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gx4 h ALA 267 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gx4 h ALA 267 CO 0.65 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1gx4 n ALA 268 N -2.19 2.60 -1.65 0.00 0.00 -1.26 -4.97 120.51 113.03 1gx4 n ALA 268 Ca -0.03 -0.38 -0.47 0.00 0.00 0.00 0.00 53.44 52.57 1gx4 n ALA 268 Cb 0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 2.11 -3.95 0.00 9.36 -0.88 -4.43 117.16 119.21 1gx4 n TYR 269 Ca 0.20 0.36 -0.29 0.00 3.32 0.00 0.00 57.90 61.49 1gx4 n TYR 269 Cb 0.28 -2.49 -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 0.75 1.31 0.65 2.97 1.01 -0.91 -5.00 121.20 121.97 1gx4 s ILE 270 Ca 0.79 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1gx4 s ILE 270 Cb -0.73 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1gx4 s ILE 270 CO 0.40 0.27 1.07 -2.16 0.00 0.00 0.00 174.94 174.53 1gx4 s PRO 271 N 1.57 3.02 0.42 2.79 0.04 -1.26 -4.66 135.00 136.91 1gx4 s PRO 271 Ca 0.02 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 1gx4 s PRO 271 Cb -0.14 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1gx4 s PRO 271 CO -0.09 -1.06 1.34 1.19 0.04 0.00 0.00 177.00 178.43 1gx4 n PHE 272 N -2.46 2.39 -0.12 0.56 3.01 -1.26 -2.01 117.46 117.56 1gx4 n PHE 272 Ca 0.09 0.48 0.00 0.00 1.01 0.00 0.00 57.45 59.03 1gx4 n PHE 272 Cb 0.53 -2.42 0.00 0.00 -0.01 0.00 0.00 39.48 37.58 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 0.71 0.85 3.44 1.37 0.00 -1.26 -5.07 105.19 105.22 1gx4 n GLY 273 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.68 1.57 0.00 1.61 2.02 -0.85 -5.12 118.70 117.25 1gx4 s GLU 274 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.36 1gx4 s GLU 274 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1gx4 s GLU 274 CO 0.00 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1gx4 n GLY 275 N -0.16 3.70 0.16 -1.39 0.00 -1.26 -4.83 105.19 101.41 1gx4 n GLY 275 Ca -0.09 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 1.90 -3.91 1.61 8.00 -1.26 -4.88 116.55 118.01 1gx4 n ASP 276 Ca 0.00 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 1gx4 n ASP 276 Cb 0.00 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.25 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 -2.56 0.29 -0.41 1.24 0.40 -1.26 -4.90 117.98 110.77 1gx4 s PHE 277 Ca -0.36 -0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 55.17 1gx4 s PHE 277 Cb 0.13 -0.05 0.05 0.00 0.51 0.00 0.00 43.02 43.65 1gx4 s PHE 277 CO 0.46 -0.64 0.27 -0.47 0.70 0.00 0.00 175.22 175.54 1gx4 s TYR 278 N -3.92 3.26 0.07 0.36 6.14 -1.26 -5.04 117.35 116.96 1gx4 s TYR 278 Ca 0.12 -1.00 -0.16 0.00 0.64 0.00 0.00 57.07 56.67 1gx4 s TYR 278 Cb 0.04 -2.72 -0.06 0.00 0.42 0.00 0.00 41.96 39.64 1gx4 s TYR 278 CO -0.05 -0.71 0.50 0.71 0.64 0.00 0.00 175.55 176.65 1gx4 s TYR 279 N 1.57 3.71 -0.18 4.97 1.51 -1.26 -2.05 117.35 125.63 1gx4 s TYR 279 Ca 0.03 1.10 -0.19 0.00 -1.01 0.00 0.00 57.07 57.00 1gx4 s TYR 279 Cb -0.21 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1gx4 s TYR 279 CO 0.06 0.56 0.54 -1.58 -1.11 0.00 0.00 175.55 174.02 1gx4 s HIS 280 N -1.22 3.41 -1.85 2.71 2.46 -0.01 -4.75 115.29 116.04 1gx4 s HIS 280 Ca 0.30 0.85 0.23 0.00 0.47 0.00 0.00 55.06 56.91 1gx4 s HIS 280 Cb -0.17 -2.68 1.33 0.00 -0.13 0.00 0.00 32.58 30.94 1gx4 s HIS 280 CO 0.17 -0.05 1.76 0.00 -2.47 0.00 0.00 174.74 174.15 1gx4 n ALA 281 N 4.57 2.32 0.42 1.58 0.00 -1.26 -3.35 120.51 124.79 1gx4 n ALA 281 Ca -0.04 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1gx4 n ALA 281 Cb 0.51 -1.38 0.47 0.00 0.00 0.00 0.00 19.45 19.05 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 3.36 1.00 -3.02 0.00 0.00 -1.94 -3.42 119.26 115.24 1gx4 h ALA 282 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1gx4 h ALA 282 Cb 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.51 1gx4 h ALA 282 CO 0.00 0.00 -0.59 0.42 0.00 0.00 0.00 179.25 179.08 1gx4 s ILE 283 N -3.31 -0.28 0.09 0.00 1.01 -1.21 -1.42 121.20 116.08 1gx4 s ILE 283 Ca 0.06 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 1gx4 s ILE 283 Cb 0.10 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 1gx4 s ILE 283 CO 0.51 0.13 0.20 0.72 0.00 0.00 0.00 174.94 176.50 1gx4 s PHE 284 N 2.16 0.16 0.00 3.97 -0.12 -0.96 -3.88 117.98 119.31 1gx4 s PHE 284 Ca 0.01 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.30 1gx4 s PHE 284 Cb -0.12 -0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 1gx4 s PHE 284 CO -0.07 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 1gx4 n GLY 285 N -0.07 1.51 0.00 1.99 0.00 -0.72 -0.81 105.19 107.09 1gx4 n GLY 285 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.64 3.74 -0.02 0.00 -0.30 -0.78 105.19 107.20 1gx4 n GLY 286 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.76 2.85 0.37 2.61 -4.23 -0.86 -0.66 115.64 112.95 1gx4 s THR 287 Ca 0.00 0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1gx4 s THR 287 Cb 0.00 -2.82 0.31 0.00 1.34 0.00 0.00 72.50 71.33 1gx4 s THR 287 CO 0.00 -0.28 1.93 -0.65 -0.54 0.00 0.00 174.62 175.08 1gx4 h PRO 288 N -0.55 0.67 -0.40 3.99 0.11 -1.87 -0.61 132.00 133.34 1gx4 h PRO 288 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1gx4 h PRO 288 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1gx4 h PRO 288 CO 0.51 0.44 0.23 1.15 -0.21 0.00 0.00 178.00 180.11 1gx4 h THR 289 N 0.69 1.14 -0.30 -1.15 2.02 -1.95 -1.33 112.91 112.03 1gx4 h THR 289 Ca 0.35 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1gx4 h THR 289 Cb 0.45 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1gx4 h THR 289 CO -0.13 0.14 -0.36 1.56 0.37 0.00 0.00 175.52 177.10 1gx4 h GLN 290 N 0.52 0.77 -0.40 6.66 1.08 -1.71 -2.86 115.11 119.17 1gx4 h GLN 290 Ca 0.14 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 1gx4 h GLN 290 Cb 0.03 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1gx4 h GLN 290 CO -0.02 1.06 0.13 0.28 -0.95 0.00 0.00 178.83 179.33 1gx4 h VAL 291 N 0.53 1.17 -0.84 -0.54 2.07 -1.06 -1.06 116.25 116.52 1gx4 h VAL 291 Ca 0.04 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1gx4 h VAL 291 Cb 0.95 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1gx4 h VAL 291 CO 0.09 0.21 0.49 0.25 0.02 0.00 0.00 177.57 178.62 1gx4 h LEU 292 N 0.57 1.02 -0.39 2.57 5.85 -1.18 -1.05 115.31 122.70 1gx4 h LEU 292 Ca 0.14 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1gx4 h LEU 292 Cb 0.16 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1gx4 h LEU 292 CO -0.01 0.80 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.56 1gx4 h ASN 293 N 1.15 0.85 -0.05 1.25 -1.24 -1.16 -0.57 115.58 115.82 1gx4 h ASN 293 Ca 0.30 -0.41 0.03 0.00 0.71 0.00 0.00 56.30 56.93 1gx4 h ASN 293 Cb -0.02 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 1gx4 h ASN 293 CO -0.05 1.07 -0.21 0.40 -1.29 0.00 0.00 177.43 177.35 1gx4 h ILE 294 N 0.62 0.50 -0.21 2.57 2.04 -1.00 -1.28 117.51 120.75 1gx4 h ILE 294 Ca 0.09 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.77 1gx4 h ILE 294 Cb 0.75 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1gx4 h ILE 294 CO 0.06 0.00 -0.56 0.71 0.00 0.00 0.00 178.15 178.36 1gx4 h THR 295 N -0.31 1.30 -0.71 -0.27 1.35 -1.17 -1.50 112.91 111.60 1gx4 h THR 295 Ca 0.07 -1.77 -0.01 0.00 -0.55 0.00 0.00 66.41 64.16 1gx4 h THR 295 Cb 0.41 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1gx4 h THR 295 CO -0.22 0.56 0.42 1.56 -0.25 0.00 0.00 175.52 177.59 1gx4 h GLN 296 N 0.49 0.97 -0.26 4.72 4.20 -1.07 -1.19 115.11 122.97 1gx4 h GLN 296 Ca -0.01 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.43 1gx4 h GLN 296 Cb 1.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1gx4 h GLN 296 CO 0.12 0.70 -0.51 0.93 -0.67 0.00 0.00 178.83 179.40 1gx4 h GLU 297 N 0.97 0.81 -0.71 1.46 4.39 -1.18 -1.32 114.58 119.00 1gx4 h GLU 297 Ca 0.25 -0.52 0.01 0.00 0.34 0.00 0.00 59.36 59.44 1gx4 h GLU 297 Cb -0.02 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1gx4 h GLU 297 CO -0.05 1.15 0.47 0.00 -1.16 0.00 0.00 179.01 179.43 1gx4 h PHE 299 N 0.97 0.40 -0.80 0.00 3.57 -1.07 -1.44 116.94 118.57 1gx4 h PHE 299 Ca 0.26 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1gx4 h PHE 299 Cb -0.11 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1gx4 h PHE 299 CO -0.02 0.80 0.53 0.87 -2.23 0.00 0.00 178.31 178.25 1gx4 h LYS 300 N 0.25 1.05 -0.20 1.11 1.57 -1.04 -0.83 116.57 118.49 1gx4 h LYS 300 Ca 0.00 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1gx4 h LYS 300 Cb 1.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1gx4 h LYS 300 CO 0.09 0.70 -0.48 0.78 -0.57 0.00 0.00 179.45 179.97 1gx4 h GLY 301 N 1.08 0.57 0.98 3.86 0.00 -0.97 -1.74 103.07 106.86 1gx4 h GLY 301 Ca 0.29 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1gx4 h GLY 301 CO -0.06 0.55 0.19 -2.22 0.00 0.00 0.00 176.54 175.00 1gx4 h ILE 302 N 0.42 1.10 -0.65 2.60 2.04 -0.85 -1.31 117.51 120.86 1gx4 h ILE 302 Ca 0.02 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1gx4 h ILE 302 Cb 1.00 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1gx4 h ILE 302 CO 0.09 0.10 0.11 -0.07 0.00 0.00 0.00 178.15 178.38 1gx4 h LEU 303 N 0.40 1.01 -0.47 1.44 3.38 -1.13 -2.64 115.31 117.31 1gx4 h LEU 303 Ca 0.11 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1gx4 h LEU 303 Cb -0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1gx4 h LEU 303 CO -0.02 1.00 0.06 0.50 0.09 0.00 0.00 178.44 180.07 1gx4 h LYS 304 N 1.00 0.80 -0.83 1.13 3.64 -1.15 -2.08 116.57 119.07 1gx4 h LYS 304 Ca 0.20 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1gx4 h LYS 304 Cb 0.42 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1gx4 h LYS 304 CO 0.01 0.82 0.51 -0.44 -2.27 0.00 0.00 179.45 178.08 1gx4 h ASP 305 N 0.66 0.80 -0.92 4.20 3.45 -1.16 -1.53 116.42 121.92 1gx4 h ASP 305 Ca 0.14 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 1gx4 h ASP 305 Cb 0.42 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.00 1gx4 h ASP 305 CO 0.01 0.52 0.53 0.11 -1.57 0.00 0.00 179.24 178.84 1gx4 h LYS 306 N 0.94 1.27 0.00 3.56 1.57 -1.10 -0.97 116.57 121.84 1gx4 h LYS 306 Ca 0.36 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1gx4 h LYS 306 Cb 0.16 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1gx4 h LYS 306 CO -0.17 0.91 -0.08 0.87 -0.57 0.00 0.00 179.45 180.41 1gx4 h LYS 307 N 1.28 0.00 -0.69 3.15 1.79 -0.62 -2.67 116.57 118.81 1gx4 h LYS 307 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1gx4 h LYS 307 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1gx4 h LYS 307 CO -0.06 0.08 0.00 0.09 -1.08 0.00 0.00 179.45 178.48 1gx4 n ASN 308 N -3.32 4.49 -3.57 0.86 3.02 -0.68 -4.98 115.26 111.07 1gx4 n ASN 308 Ca -0.01 -2.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.05 1gx4 n ASN 308 Cb 0.27 -0.55 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.35 -3.99 -3.95 6.41 2.03 -0.45 -5.01 116.55 112.94 1gx4 n ASP 309 Ca 0.26 -0.62 -0.09 0.00 0.52 0.00 0.00 54.79 54.85 1gx4 n ASP 309 Cb 0.79 -4.87 -0.10 0.00 -0.72 0.00 0.00 41.12 36.22 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 -3.37 0.12 -0.08 5.18 2.07 -0.76 -5.04 121.20 119.31 1gx4 s ILE 310 Ca 0.30 -0.99 -0.00 0.00 -1.41 0.00 0.00 60.65 58.55 1gx4 s ILE 310 Cb -0.14 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 41.92 1gx4 s ILE 310 CO 0.75 -0.54 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.50 1gx4 s GLU 311 N -1.94 0.98 0.56 3.50 2.12 -1.26 -3.94 118.70 118.72 1gx4 s GLU 311 Ca -0.11 -0.06 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 1gx4 s GLU 311 Cb -0.06 -1.16 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 1gx4 s GLU 311 CO -0.02 -0.24 1.31 0.00 -0.54 0.00 0.00 175.26 175.77 1gx4 s ALA 312 N 1.65 2.73 0.23 6.30 0.00 -1.26 -4.91 121.76 126.50 1gx4 s ALA 312 Ca 0.01 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.14 1gx4 s ALA 312 Cb -0.13 -3.54 0.22 0.00 0.00 0.00 0.00 23.12 19.68 1gx4 s ALA 312 CO -0.05 -1.32 1.90 0.37 0.00 0.00 0.00 175.76 176.66 1gx4 h GLN 313 N 1.31 1.12 -0.43 0.00 4.15 -1.94 -1.93 115.11 117.38 1gx4 h GLN 313 Ca -0.51 -0.07 -0.28 0.00 0.77 0.00 0.00 58.65 58.56 1gx4 h GLN 313 Cb 1.30 -0.25 -0.19 0.00 0.21 0.00 0.00 27.48 28.55 1gx4 h GLN 313 CO 0.57 0.74 -0.29 0.91 -1.93 0.00 0.00 178.83 178.82 1gx4 n TRP 314 N -4.50 1.47 -0.67 3.99 7.02 -1.26 -5.06 117.44 118.43 1gx4 n TRP 314 Ca 0.10 -1.87 0.00 0.00 -1.02 0.00 0.00 57.50 54.71 1gx4 n TRP 314 Cb 0.04 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 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 -1.00 0.00 0.27 -5.99 8.25 -0.73 -1.40 115.22 114.62 1gx4 n HIS 315 Ca 0.36 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.91 1gx4 n HIS 315 Cb 0.91 0.01 0.70 0.00 1.12 0.00 0.00 29.99 32.73 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 1.34 0.00 -0.60 0.41 2.03 -1.91 -1.93 116.42 115.75 1gx4 h ASP 316 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1gx4 h ASP 316 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1gx4 h ASP 316 CO 0.00 0.03 0.21 -0.08 -1.03 0.00 0.00 179.24 178.37 1gx4 h GLU 317 N 0.00 0.96 -0.57 4.15 4.81 -1.63 -0.24 114.58 122.06 1gx4 h GLU 317 Ca -0.00 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1gx4 h GLU 317 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1gx4 h GLU 317 CO 0.00 0.82 0.20 0.77 -0.73 0.00 0.00 179.01 180.07 1gx4 h SER 318 N 0.93 0.81 -0.54 1.04 0.02 -1.25 -1.57 113.55 112.99 1gx4 h SER 318 Ca 0.21 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1gx4 h SER 318 Cb 0.25 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1gx4 h SER 318 CO -0.01 0.79 -0.06 0.45 -1.14 0.00 0.00 176.83 176.86 1gx4 h HIS 319 N 0.80 1.12 -0.83 3.45 3.86 -1.47 -2.31 115.15 119.76 1gx4 h HIS 319 Ca 0.19 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1gx4 h HIS 319 Cb 0.25 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 1gx4 h HIS 319 CO 0.01 1.02 0.42 1.25 0.86 0.00 0.00 177.93 181.49 1gx4 h LEU 320 N 0.92 1.06 -0.80 2.43 5.85 -0.84 0.13 115.31 124.06 1gx4 h LEU 320 Ca 0.15 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1gx4 h LEU 320 Cb 0.61 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1gx4 h LEU 320 CO 0.04 0.88 0.13 0.78 -0.34 0.00 0.00 178.44 179.93 1gx4 h ASN 321 N 1.17 0.98 -0.46 1.25 2.35 -1.02 -1.21 115.58 118.64 1gx4 h ASN 321 Ca 0.29 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1gx4 h ASN 321 Cb 0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1gx4 h ASN 321 CO -0.04 0.96 0.00 0.50 -1.65 0.00 0.00 177.43 177.21 1gx4 h LYS 322 N 0.98 0.81 -0.15 0.81 1.63 -0.92 -2.14 116.57 117.59 1gx4 h LYS 322 Ca 0.20 -0.26 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1gx4 h LYS 322 Cb 0.38 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 1gx4 h LYS 322 CO 0.01 0.86 -0.17 -0.92 -3.45 0.00 0.00 179.45 175.78 1gx4 h TYR 323 N 0.66 -0.43 0.00 1.91 5.03 -0.66 -2.84 116.97 120.64 1gx4 h TYR 323 Ca 0.13 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1gx4 h TYR 323 Cb 0.50 0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1gx4 h TYR 323 CO 0.04 -0.24 0.00 0.74 -1.32 0.00 0.00 178.16 177.38 1gx4 h PHE 324 N -0.20 0.00 -0.46 -3.82 0.05 -1.11 0.89 116.94 112.29 1gx4 h PHE 324 Ca 0.10 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.82 1gx4 h PHE 324 Cb 0.35 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.28 1gx4 h PHE 324 CO -0.29 0.00 0.01 1.25 -0.18 0.00 0.00 178.31 179.10 1gx4 h LEU 325 N 0.00 0.79 0.24 1.54 5.85 -1.17 -3.26 115.31 119.29 1gx4 h LEU 325 Ca 0.00 -0.30 -0.34 0.00 0.84 0.00 0.00 57.88 58.08 1gx4 h LEU 325 Cb 0.67 -0.21 0.03 0.00 0.37 0.00 0.00 40.66 41.52 1gx4 h LEU 325 CO 0.00 0.90 -1.50 -0.07 -0.34 0.00 0.00 178.44 177.43 1gx4 h LEU 326 N 0.66 0.79 -7.24 2.25 3.38 -1.21 -3.40 115.31 110.54 1gx4 h LEU 326 Ca 0.13 -0.88 -0.63 0.00 0.09 0.00 0.00 57.88 56.59 1gx4 h LEU 326 Cb 0.49 -0.26 -0.41 0.00 0.09 0.00 0.00 40.66 40.57 1gx4 h LEU 326 CO 0.02 1.69 -0.63 0.20 0.09 0.00 0.00 178.44 179.81 1gx4 s ASN 327 N -7.52 4.33 0.26 -0.43 0.01 0.26 -5.09 114.94 106.76 1gx4 s ASN 327 Ca -0.09 -3.20 -0.31 0.00 -0.71 0.00 0.00 52.86 48.55 1gx4 s ASN 327 Cb 0.04 -1.55 -0.12 0.00 0.41 0.00 0.00 41.25 40.03 1gx4 s ASN 327 CO 0.93 -0.19 1.56 0.29 -1.51 0.00 0.00 177.10 178.18 1gx4 n LYS 328 N 2.85 2.50 -2.16 -0.60 4.76 -1.23 -4.36 118.16 119.92 1gx4 n LYS 328 Ca 0.10 0.89 -0.36 0.00 -2.87 0.00 0.00 58.31 56.07 1gx4 n LYS 328 Cb 0.33 -2.65 0.01 0.00 -1.84 0.00 0.00 35.03 30.88 1gx4 n LYS 328 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1gx4 s PRO 329 N -0.21 3.39 0.07 1.97 0.04 -1.26 -4.94 135.00 134.06 1gx4 s PRO 329 Ca 0.67 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.76 1gx4 s PRO 329 Cb -0.55 -2.16 0.82 0.00 0.04 0.00 0.00 34.50 32.66 1gx4 s PRO 329 CO 0.46 -0.85 1.68 0.25 0.04 0.00 0.00 177.00 178.58 1gx4 n THR 330 N -1.05 0.21 -3.72 1.26 -2.24 -0.42 -4.83 114.28 103.49 1gx4 n THR 330 Ca 0.10 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1gx4 n THR 330 Cb 0.49 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.05 0.54 0.01 -0.78 2.20 -0.93 -4.26 119.74 113.46 1gx4 s LYS 331 Ca 0.11 0.47 0.06 0.00 -0.36 0.00 0.00 55.97 56.26 1gx4 s LYS 331 Cb 0.16 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1gx4 s LYS 331 CO 0.62 -0.09 -0.20 0.42 -0.36 0.00 0.00 175.35 175.74 1gx4 s ILE 332 N -0.04 1.57 -0.11 5.43 1.01 -0.67 -1.71 121.20 126.68 1gx4 s ILE 332 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 1gx4 s ILE 332 Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1gx4 s ILE 332 CO 0.01 0.34 0.18 -0.76 0.00 0.00 0.00 174.94 174.72 1gx4 s LEU 333 N -0.72 4.38 0.93 2.97 1.43 0.11 -0.98 118.68 126.80 1gx4 s LEU 333 Ca 0.07 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.58 1gx4 s LEU 333 Cb -0.08 -2.15 0.15 0.00 0.03 0.00 0.00 46.19 44.14 1gx4 s LEU 333 CO 0.00 0.37 1.09 -0.44 0.23 0.00 0.00 176.35 177.60 1gx4 s SER 334 N -0.86 3.01 0.34 2.29 0.01 -0.80 -2.05 113.70 115.64 1gx4 s SER 334 Ca 0.16 1.68 0.23 0.00 1.31 0.00 0.00 55.95 59.33 1gx4 s SER 334 Cb -0.13 -2.32 1.25 0.00 0.21 0.00 0.00 66.02 65.03 1gx4 s SER 334 CO 0.05 -2.96 1.71 -0.65 0.41 0.00 0.00 173.24 171.80 1gx4 h PRO 335 N -1.77 0.00 -0.39 12.44 0.11 -1.89 -1.19 132.00 139.31 1gx4 h PRO 335 Ca -0.50 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.73 1gx4 h PRO 335 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1gx4 h PRO 335 CO 0.51 0.00 0.29 0.93 -0.21 0.00 0.00 178.00 179.52 1gx4 h GLU 336 N 0.00 0.00 -0.00 1.05 5.08 -1.91 -1.79 114.58 117.01 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 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1gx4 h GLU 336 CO 0.00 0.00 -0.06 0.66 -1.00 0.00 0.00 179.01 178.61 1gx4 n TYR 337 N -4.36 0.00 -2.85 4.33 4.02 -0.45 -1.13 117.16 116.72 1gx4 n TYR 337 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.93 1gx4 n TYR 337 Cb 0.48 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 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 1.13 3.29 -0.44 0.00 -0.11 0.02 -4.36 118.94 118.46 1gx4 s TRP 339 Ca 0.26 0.28 -0.14 0.00 1.22 0.00 0.00 56.10 57.72 1gx4 s TRP 339 Cb 0.00 -1.82 0.06 0.00 -1.50 0.00 0.00 33.47 30.21 1gx4 s TRP 339 CO -0.06 0.55 0.33 0.34 -4.62 0.00 0.00 176.95 173.49 1gx4 s ASP 340 N -1.01 6.02 0.08 5.86 -1.08 -1.26 -1.00 116.67 124.27 1gx4 s ASP 340 Ca 0.15 -1.21 0.15 0.00 -0.52 0.00 0.00 52.55 51.11 1gx4 s ASP 340 Cb -0.12 -2.13 0.64 0.00 -1.46 0.00 0.00 42.92 39.85 1gx4 s ASP 340 CO 0.04 -0.55 1.46 -1.22 0.52 0.00 0.00 175.17 175.41 1gx4 n TYR 341 N 5.13 0.23 0.30 -5.34 0.53 -1.26 -1.51 117.16 115.24 1gx4 n TYR 341 Ca -0.12 0.10 0.19 0.00 -1.02 0.00 0.00 57.90 57.05 1gx4 n TYR 341 Cb 0.45 -0.66 0.95 0.00 -1.03 0.00 0.00 39.34 39.05 1gx4 n TYR 341 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1gx4 h HIS 342 N 0.00 0.00 0.00 -0.72 2.76 -1.96 -0.74 115.15 114.49 1gx4 h HIS 342 Ca 0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1gx4 h HIS 342 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1gx4 h HIS 342 CO 0.00 0.03 -0.45 0.82 -1.30 0.00 0.00 177.93 177.03 1gx4 h ILE 343 N 0.00 1.20 0.00 6.26 2.04 -1.71 -3.50 117.51 121.81 1gx4 h ILE 343 Ca -0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1gx4 h ILE 343 Cb 0.21 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1gx4 h ILE 343 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1gx4 n GLY 344 N -0.06 -1.15 2.63 5.37 0.00 -0.29 -4.91 105.19 106.78 1gx4 n GLY 344 Ca -0.01 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 1.85 0.81 0.99 2.96 -1.26 -4.61 118.68 119.41 1gx4 s LEU 345 Ca 0.00 -2.10 -0.09 0.00 -0.22 0.00 0.00 54.13 51.71 1gx4 s LEU 345 Cb 0.00 -0.73 0.12 0.00 0.50 0.00 0.00 46.19 46.08 1gx4 s LEU 345 CO 0.00 -0.34 1.14 -2.16 -1.32 0.00 0.00 176.35 173.67 1gx4 s PRO 346 N 1.07 1.53 0.43 0.98 0.04 -1.26 -4.98 135.00 132.81 1gx4 s PRO 346 Ca 0.15 -0.44 0.09 0.00 0.04 0.00 0.00 61.00 60.84 1gx4 s PRO 346 Cb -0.21 -2.06 0.94 0.00 0.04 0.00 0.00 34.50 33.20 1gx4 s PRO 346 CO -0.10 -1.73 2.07 0.00 0.04 0.00 0.00 177.00 177.28 1gx4 h ALA 347 N -1.00 1.75 0.00 8.56 0.00 -2.04 -2.54 119.26 123.99 1gx4 h ALA 347 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gx4 h ALA 347 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1gx4 h ALA 347 CO 0.49 0.22 0.00 -0.44 0.00 0.00 0.00 179.25 179.52 1gx4 h ASP 348 N 0.41 0.00 -3.27 0.00 3.32 -2.01 -3.41 116.42 111.47 1gx4 h ASP 348 Ca 0.11 0.00 -0.75 0.00 0.02 0.00 0.00 57.03 56.41 1gx4 h ASP 348 Cb -0.01 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.30 1gx4 h ASP 348 CO -0.02 0.00 0.05 -0.63 -1.72 0.00 0.00 179.24 176.92 1gx4 s ILE 349 N -3.54 5.24 -0.10 0.35 -1.09 -0.96 -4.91 121.20 116.19 1gx4 s ILE 349 Ca 0.02 -1.76 0.16 0.00 -2.23 0.00 0.00 60.65 56.84 1gx4 s ILE 349 Cb 0.09 -4.45 -0.21 0.00 -1.58 0.00 0.00 42.46 36.31 1gx4 s ILE 349 CO 0.49 -1.03 0.58 0.29 -1.23 0.00 0.00 174.94 174.04 1gx4 n LYS 350 N 5.10 0.64 -3.23 2.79 5.02 -1.26 -4.80 118.16 122.41 1gx4 n LYS 350 Ca 0.00 0.18 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1gx4 n LYS 350 Cb 0.44 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1gx4 n LYS 350 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1gx4 s LEU 351 N -5.77 -1.12 0.02 -0.35 2.96 -1.26 -5.13 118.68 108.04 1gx4 s LEU 351 Ca -0.05 0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 1gx4 s LEU 351 Cb 0.08 1.66 -0.05 0.00 0.50 0.00 0.00 46.19 48.39 1gx4 s LEU 351 CO 0.83 -0.30 1.19 -0.69 -1.32 0.00 0.00 176.35 176.06 1gx4 s VAL 352 N 2.71 4.17 -0.11 1.68 1.01 -1.26 -4.82 120.40 123.77 1gx4 s VAL 352 Ca 0.15 1.54 0.20 0.00 0.00 0.00 0.00 61.98 63.86 1gx4 s VAL 352 Cb -0.14 -3.99 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 1gx4 s VAL 352 CO -0.22 0.08 0.35 0.29 0.00 0.00 0.00 175.10 175.59 1gx4 n LYS 353 N 4.36 0.67 -3.72 2.72 4.01 -0.29 -3.68 118.16 122.23 1gx4 n LYS 353 Ca 0.09 -0.08 -0.13 0.00 -0.51 0.00 0.00 58.31 57.69 1gx4 n LYS 353 Cb 0.47 -1.55 -0.10 0.00 -0.51 0.00 0.00 35.03 33.34 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 -3.03 0.50 0.09 1.97 0.00 -1.25 -0.60 119.30 116.99 1gx4 s MET 354 Ca -0.08 0.66 0.08 0.00 0.00 0.00 0.00 55.69 56.35 1gx4 s MET 354 Cb 0.10 0.20 -0.03 0.00 0.00 0.00 0.00 34.83 35.10 1gx4 s MET 354 CO 0.87 -0.08 -0.22 -1.54 0.00 0.00 0.00 175.02 174.05 1gx4 s SER 355 N 0.47 2.65 0.45 1.11 1.04 -0.33 -0.80 113.70 118.29 1gx4 s SER 355 Ca -0.02 -0.66 -0.23 0.00 0.48 0.00 0.00 55.95 55.52 1gx4 s SER 355 Cb -0.04 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.84 1gx4 s SER 355 CO -0.02 0.10 1.15 0.26 0.98 0.00 0.00 173.24 175.71 1gx4 s TRP 356 N -1.07 2.95 0.38 5.02 0.52 -0.17 -1.50 118.94 125.06 1gx4 s TRP 356 Ca 0.08 1.55 -0.23 0.00 0.02 0.00 0.00 56.10 57.51 1gx4 s TRP 356 Cb -0.10 -3.34 -0.10 0.00 -1.15 0.00 0.00 33.47 28.78 1gx4 s TRP 356 CO 0.04 -1.37 0.97 -0.65 0.02 0.00 0.00 176.95 175.96 1gx4 s GLN 357 N -2.64 4.34 0.47 4.98 -1.52 -0.60 -4.82 119.66 119.88 1gx4 s GLN 357 Ca 0.62 1.28 -0.25 0.00 -1.95 0.00 0.00 55.36 55.06 1gx4 s GLN 357 Cb -0.28 -2.48 -0.08 0.00 -0.22 0.00 0.00 33.01 29.95 1gx4 s GLN 357 CO 0.34 0.06 1.43 0.99 -0.25 0.00 0.00 175.29 177.85 1gx4 s THR 358 N -1.86 2.04 0.27 -0.19 2.01 -1.26 -4.93 115.64 111.72 1gx4 s THR 358 Ca 0.57 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 1gx4 s THR 358 Cb -0.15 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1gx4 s THR 358 CO 0.20 0.00 1.19 -0.54 -0.69 0.00 0.00 174.62 174.78 1gx4 s LYS 359 N -2.52 4.52 -0.33 4.92 -0.14 -1.26 -4.96 119.74 119.97 1gx4 s LYS 359 Ca 0.63 1.94 0.15 0.00 -1.36 0.00 0.00 55.97 57.33 1gx4 s LYS 359 Cb -0.44 -3.17 0.46 0.00 -1.68 0.00 0.00 37.83 33.01 1gx4 s LYS 359 CO 0.56 0.02 1.03 0.39 -0.76 0.00 0.00 175.35 176.59 1gx4 n GLU 360 N 1.42 1.95 -0.11 1.68 1.02 -1.26 -4.96 120.64 120.38 1gx4 n GLU 360 Ca 0.01 -3.65 0.09 0.00 -0.02 0.00 0.00 57.16 53.58 1gx4 n GLU 360 Cb 0.44 -1.62 0.43 0.00 -0.02 0.00 0.00 31.44 30.67 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 2.77 0.58 0.00 -0.32 0.99 -1.96 -0.24 116.97 118.79 1gx4 h TYR 361 Ca 0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1gx4 h TYR 361 Cb 1.17 -0.19 -0.00 0.00 1.00 0.00 0.00 36.73 38.71 1gx4 h TYR 361 CO 0.60 0.30 -0.06 -0.97 -0.00 0.00 0.00 178.16 178.03 1gx4 h ASN 362 N 0.57 0.00 0.00 3.88 -1.24 -1.93 -2.38 115.58 114.48 1gx4 h ASN 362 Ca 0.28 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.88 1gx4 h ASN 362 Cb 0.36 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.34 1gx4 h ASN 362 CO -0.08 0.06 -2.43 0.52 -1.29 0.00 0.00 177.43 174.20 1gx4 n VAL 363 N -3.54 1.42 0.33 2.57 0.31 -0.23 -4.75 118.33 114.44 1gx4 n VAL 363 Ca -0.02 -0.44 0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1gx4 n VAL 363 Cb 0.17 -1.63 0.07 0.00 -0.91 0.00 0.00 33.84 31.53 1gx4 n VAL 363 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1gx4 h VAL 364 N -0.52 0.00 -3.33 2.52 -1.51 -1.22 -3.46 116.25 108.73 1gx4 h VAL 364 Ca -0.61 -0.75 -0.66 0.00 -1.23 0.00 0.00 66.70 63.45 1gx4 h VAL 364 Cb 1.70 1.26 -0.13 0.00 -2.13 0.00 0.00 31.29 31.99 1gx4 h VAL 364 CO -0.26 0.00 -0.64 -0.13 -1.23 0.00 0.00 177.57 175.31 1gx4 s ARG 365 N -3.27 2.76 -0.11 5.19 0.52 -0.90 -4.47 118.95 118.67 1gx4 s ARG 365 Ca 0.02 -0.66 0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1gx4 s ARG 365 Cb 0.11 -2.66 0.30 0.00 0.52 0.00 0.00 34.95 33.23 1gx4 s ARG 365 CO 0.77 0.60 1.20 0.09 0.02 0.00 0.00 175.30 177.98 1gx4 n ASN 366 N 1.13 2.72 -3.85 0.23 3.02 -1.26 -4.80 115.26 112.46 1gx4 n ASN 366 Ca -0.13 -2.78 -0.10 0.00 -0.03 0.00 0.00 54.58 51.54 1gx4 n ASN 366 Cb 0.52 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1gx4 n ASN 366 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gx4 s ASN 367 N -2.14 0.05 0.00 6.41 2.20 -1.26 -5.07 114.94 115.13 1gx4 s ASN 367 Ca 0.28 -0.42 0.24 0.00 -0.94 0.00 0.00 52.86 52.02 1gx4 s ASN 367 Cb 0.23 0.30 1.42 0.00 -2.00 0.00 0.00 41.25 41.19 1gx4 s ASN 367 CO 0.05 -0.58 1.78 0.52 -2.94 0.00 0.00 177.10 175.93