#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqa h PHE 89 N 0.00 0.01 -0.84 -1.40 3.57 -2.06 -2.42 116.94 113.81 3gqa h PHE 89 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3gqa h PHE 89 Cb 0.00 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3gqa h PHE 89 CO 0.00 0.28 0.48 0.00 -2.23 0.00 0.00 178.31 176.84 3gqa h ALA 90 N 0.73 1.21 -0.95 2.41 0.00 -2.05 -0.71 119.26 119.90 3gqa h ALA 90 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gqa h ALA 90 Cb 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3gqa h ALA 90 CO 0.00 0.09 0.62 -0.44 0.00 0.00 0.00 179.25 179.52 3gqa h ASP 91 N 0.79 1.04 -0.47 0.00 5.19 -1.98 0.11 116.42 121.10 3gqa h ASP 91 Ca 0.41 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.72 3gqa h ASP 91 Cb 0.40 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 3gqa h ASP 91 CO -0.26 0.72 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.47 3gqa h LEU 92 N 1.21 0.86 0.13 1.55 3.38 -0.67 -1.01 115.31 120.76 3gqa h LEU 92 Ca 0.37 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gqa h LEU 92 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3gqa h LEU 92 CO -0.11 0.98 -0.06 0.58 0.09 0.00 0.00 178.44 179.92 3gqa h VAL 93 N 0.71 0.88 -0.69 1.22 2.07 -0.64 -2.69 116.25 117.11 3gqa h VAL 93 Ca 0.13 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.74 3gqa h VAL 93 Cb 0.57 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 3gqa h VAL 93 CO 0.03 0.01 0.23 0.40 0.02 0.00 0.00 177.57 178.27 3gqa h ILE 94 N -0.19 0.66 -0.95 4.57 2.04 -0.75 -1.17 117.51 121.72 3gqa h ILE 94 Ca -0.02 -0.13 0.12 0.00 1.00 0.00 0.00 64.86 65.83 3gqa h ILE 94 Cb 0.15 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.40 3gqa h ILE 94 CO 0.03 0.07 0.61 1.56 0.00 0.00 0.00 178.15 180.41 3gqa h GLN 95 N 0.37 0.88 -0.00 2.37 4.20 -0.95 0.08 115.11 122.06 3gqa h GLN 95 Ca 0.37 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 3gqa h GLN 95 Cb 0.55 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3gqa h GLN 95 CO -0.40 0.58 -0.00 0.28 -0.67 0.00 0.00 178.83 178.62 3gqa h VAL 96 N 0.90 1.38 -0.41 -0.54 2.07 -0.92 -2.38 116.25 116.34 3gqa h VAL 96 Ca 0.46 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3gqa h VAL 96 Cb 0.51 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 3gqa h VAL 96 CO -0.23 0.29 -0.05 0.40 0.02 0.00 0.00 177.57 178.01 3gqa h ILE 97 N -0.47 0.64 -0.83 4.57 2.04 -0.77 -1.87 117.51 120.82 3gqa h ILE 97 Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3gqa h ILE 97 Cb 0.48 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3gqa h ILE 97 CO 0.00 0.01 0.55 0.44 0.00 0.00 0.00 178.15 179.15 3gqa h ASP 98 N 0.05 0.93 0.50 1.72 5.19 -1.00 -1.26 116.42 122.56 3gqa h ASP 98 Ca 0.20 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 3gqa h ASP 98 Cb 0.30 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3gqa h ASP 98 CO -0.38 0.66 -0.23 -0.33 -3.12 0.00 0.00 179.24 175.84 3gqa h GLU 99 N 1.10 0.00 0.00 3.56 5.08 -0.82 -2.68 114.58 120.82 3gqa h GLU 99 Ca 0.31 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3gqa h GLU 99 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3gqa h GLU 99 CO -0.08 0.23 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.79 3gqa h LEU 100 N 0.00 0.00 -3.31 1.33 3.38 -0.53 -3.47 115.31 112.71 3gqa h LEU 100 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3gqa h LEU 100 Cb 0.55 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.36 3gqa h LEU 100 CO 0.03 0.31 -0.95 0.29 0.09 0.00 0.00 178.44 178.20 3gqa n LYS 101 N -4.07 -1.10 0.19 1.13 5.02 -1.01 -4.88 118.16 113.44 3gqa n LYS 101 Ca -0.02 0.37 0.05 0.00 -2.02 0.00 0.00 58.31 56.69 3gqa n LYS 101 Cb 0.36 -3.80 0.35 0.00 -0.02 0.00 0.00 35.03 31.92 3gqa n LYS 101 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3gqa h GLN 102 N -2.05 0.00 -0.01 1.97 4.20 -1.88 -3.13 115.11 114.21 3gqa h GLN 102 Ca -0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.04 3gqa h GLN 102 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3gqa h GLN 102 CO 0.50 0.39 -0.24 1.19 -0.67 0.00 0.00 178.83 180.00 3gqa n PHE 103 N -3.68 0.00 0.00 2.96 3.01 -1.26 -5.09 117.46 113.40 3gqa n PHE 103 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3gqa n PHE 103 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3gqa n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqa n GLY 104 N 0.93 0.32 3.52 1.37 0.00 -1.19 -4.68 105.19 105.47 3gqa n GLY 104 Ca 0.04 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 3gqa n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqa s VAL 105 N 0.00 3.99 0.28 1.61 -7.23 0.01 -4.33 120.40 114.73 3gqa s VAL 105 Ca 0.00 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 3gqa s VAL 105 Cb 0.00 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3gqa s VAL 105 CO 0.00 0.49 1.04 -0.55 -0.31 0.00 0.00 175.10 175.77 3gqa s SER 106 N 0.33 7.33 0.58 4.85 0.15 -1.26 -0.35 113.70 125.32 3gqa s SER 106 Ca -0.03 2.13 0.28 0.00 0.70 0.00 0.00 55.95 59.03 3gqa s SER 106 Cb -0.14 -2.62 1.73 0.00 -1.71 0.00 0.00 66.02 63.28 3gqa s SER 106 CO 0.03 -0.09 2.22 -0.37 1.20 0.00 0.00 173.24 176.23 3gqa h VAL 107 N 2.99 0.58 -0.04 4.45 -1.51 -1.70 -1.72 116.25 119.31 3gqa h VAL 107 Ca -0.46 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.92 3gqa h VAL 107 Cb 1.21 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 3gqa h VAL 107 CO 0.67 0.00 -0.36 0.11 -1.23 0.00 0.00 177.57 176.75 3gqa h LYS 108 N 0.00 0.08 -0.76 5.19 1.57 -1.85 -1.95 116.57 118.85 3gqa h LYS 108 Ca 0.01 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3gqa h LYS 108 Cb 0.08 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3gqa h LYS 108 CO -0.00 0.43 0.51 1.15 -0.57 0.00 0.00 179.45 180.97 3gqa h THR 109 N 0.07 0.82 -0.57 -0.16 2.02 -1.64 -1.99 112.91 111.46 3gqa h THR 109 Ca 0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3gqa h THR 109 Cb 0.68 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3gqa h THR 109 CO 0.05 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 3gqa n TYR 110 N -4.49 0.79 0.00 3.16 4.02 -0.78 -4.91 117.16 114.95 3gqa n TYR 110 Ca 0.14 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3gqa n TYR 110 Cb 0.49 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3gqa n TYR 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gqa n GLY 111 N 1.39 1.03 3.76 2.72 0.00 -0.75 -4.32 105.19 109.02 3gqa n GLY 111 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3gqa n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqa s ALA 112 N -2.00 3.58 -0.20 4.61 0.00 -0.94 -4.92 121.76 121.90 3gqa s ALA 112 Ca 0.00 1.35 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 3gqa s ALA 112 Cb 0.00 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.37 3gqa s ALA 112 CO 0.00 -0.76 0.07 1.63 0.00 0.00 0.00 175.76 176.70 3gqa n LYS 113 N 1.60 0.67 -3.48 0.00 4.76 -1.26 -4.47 118.16 115.98 3gqa n LYS 113 Ca 0.04 0.29 -0.20 0.00 -2.87 0.00 0.00 58.31 55.57 3gqa n LYS 113 Cb 0.40 -1.63 0.08 0.00 -1.84 0.00 0.00 35.03 32.05 3gqa n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqa n GLY 114 N 1.87 -0.42 0.50 0.72 0.00 -1.26 -4.93 105.19 101.66 3gqa n GLY 114 Ca -0.39 0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.83 3gqa n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gqa n ASP 115 N -3.03 2.80 0.00 1.61 5.68 -1.02 -2.75 116.55 119.84 3gqa n ASP 115 Ca -0.16 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 3gqa n ASP 115 Cb 0.62 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3gqa n ASP 115 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gqa n GLY 116 N 0.07 0.66 1.52 6.12 0.00 -0.04 -4.73 105.19 108.79 3gqa n GLY 116 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gqa n GLY 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gqa n VAL 117 N -2.08 0.00 -2.31 1.61 0.31 -1.26 -4.92 118.33 109.68 3gqa n VAL 117 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3gqa n VAL 117 Cb 0.02 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 3gqa n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gqa s THR 118 N -1.99 3.15 -0.40 2.52 2.01 -1.26 -4.93 115.64 114.73 3gqa s THR 118 Ca 0.00 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 3gqa s THR 118 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3gqa s THR 118 CO 0.00 0.27 1.54 -0.62 -0.69 0.00 0.00 174.62 175.11 3gqa s ASP 119 N -0.64 6.17 -0.00 3.53 2.15 -1.26 -3.88 116.67 122.73 3gqa s ASP 119 Ca 0.47 0.92 0.21 0.00 0.43 0.00 0.00 52.55 54.58 3gqa s ASP 119 Cb -0.35 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.32 3gqa s ASP 119 CO 0.46 -1.55 1.50 0.47 -0.17 0.00 0.00 175.17 175.87 3gqa n ASP 120 N 9.39 3.62 -0.36 -0.34 8.00 0.78 -4.65 116.55 132.99 3gqa n ASP 120 Ca 0.18 -2.02 0.05 0.00 0.71 0.00 0.00 54.79 53.72 3gqa n ASP 120 Cb 0.48 -0.45 0.21 0.00 -0.02 0.00 0.00 41.12 41.33 3gqa n ASP 120 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3gqa h ILE 121 N 3.92 0.99 -0.58 0.53 6.09 -1.91 -2.17 117.51 124.38 3gqa h ILE 121 Ca 0.00 -0.36 -0.09 0.00 -1.37 0.00 0.00 64.86 63.04 3gqa h ILE 121 Cb 0.92 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.02 3gqa h ILE 121 CO 0.01 0.19 0.01 0.03 -3.07 0.00 0.00 178.15 175.32 3gqa h ARG 122 N 1.05 1.00 -0.37 2.19 2.47 -1.96 -0.52 114.38 118.24 3gqa h ARG 122 Ca 0.47 -0.30 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 3gqa h ARG 122 Cb 0.35 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 3gqa h ARG 122 CO -0.23 0.97 0.20 0.00 0.56 0.00 0.00 179.97 181.48 3gqa h ALA 123 N 1.08 0.48 -0.14 0.04 0.00 -1.60 0.54 119.26 119.67 3gqa h ALA 123 Ca 0.17 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gqa h ALA 123 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gqa h ALA 123 CO 0.03 0.01 0.01 0.74 0.00 0.00 0.00 179.25 180.04 3gqa h PHE 124 N 0.47 0.02 -0.45 0.00 -1.00 -1.13 0.31 116.94 115.17 3gqa h PHE 124 Ca 0.13 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.94 3gqa h PHE 124 Cb 0.06 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 3gqa h PHE 124 CO -0.02 0.00 0.27 0.93 -1.61 0.00 0.00 178.31 177.87 3gqa h GLU 125 N 0.07 0.52 0.25 1.51 5.08 -0.85 -0.10 114.58 121.05 3gqa h GLU 125 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gqa h GLU 125 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3gqa h GLU 125 CO -0.09 0.35 -0.12 0.87 -1.00 0.00 0.00 179.01 179.01 3gqa h LYS 126 N 0.54 -0.32 -0.57 2.33 1.57 -0.72 -1.32 116.57 118.07 3gqa h LYS 126 Ca 0.18 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 3gqa h LYS 126 Cb 0.01 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 3gqa h LYS 126 CO -0.08 -0.17 0.17 0.00 -0.57 0.00 0.00 179.45 178.80 3gqa h ALA 127 N 0.35 0.70 -0.06 3.86 0.00 -0.80 -2.40 119.26 120.92 3gqa h ALA 127 Ca -0.03 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3gqa h ALA 127 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3gqa h ALA 127 CO 0.06 -0.25 -0.43 0.82 0.00 0.00 0.00 179.25 179.44 3gqa h ILE 128 N 0.32 1.32 -0.00 0.00 2.04 -0.87 -2.48 117.51 117.85 3gqa h ILE 128 Ca 0.29 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3gqa h ILE 128 Cb 0.38 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3gqa h ILE 128 CO -0.33 0.45 -0.15 -1.84 0.00 0.00 0.00 178.15 176.28 3gqa n GLU 129 N -4.01 0.29 0.27 2.37 0.28 -0.51 -4.08 120.64 115.24 3gqa n GLU 129 Ca -0.02 -0.09 0.16 0.00 -0.16 0.00 0.00 57.16 57.06 3gqa n GLU 129 Cb 0.48 -1.50 0.61 0.00 1.43 0.00 0.00 31.44 32.46 3gqa n GLU 129 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3gqa h SER 130 N 0.21 0.00 0.00 -1.84 4.64 -0.95 -3.47 113.55 112.14 3gqa h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqa h SER 130 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3gqa h SER 130 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3gqa n GLY 131 N 0.14 1.20 3.90 -0.77 0.00 -1.26 -5.06 105.19 103.34 3gqa n GLY 131 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3gqa n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqa s PHE 132 N -2.56 3.48 0.34 1.61 0.40 -1.26 -5.05 117.98 114.94 3gqa s PHE 132 Ca 0.00 0.64 -0.29 0.00 -0.60 0.00 0.00 56.93 56.68 3gqa s PHE 132 Cb 0.00 -2.10 -0.12 0.00 0.51 0.00 0.00 43.02 41.31 3gqa s PHE 132 CO 0.00 0.18 1.44 -2.30 0.70 0.00 0.00 175.22 175.25 3gqa n PRO 133 N -0.90 2.46 -4.23 0.24 -0.02 -1.26 -4.76 135.00 126.52 3gqa n PRO 133 Ca -0.02 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 3gqa n PRO 133 Cb 0.54 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 3gqa n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gqa s VAL 134 N -0.79 4.50 -0.06 -1.45 1.01 0.58 -0.81 120.40 123.37 3gqa s VAL 134 Ca 0.57 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3gqa s VAL 134 Cb -0.52 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3gqa s VAL 134 CO 0.59 0.55 -0.17 -0.47 0.00 0.00 0.00 175.10 175.60 3gqa s TYR 135 N -0.38 2.63 -0.28 5.22 5.04 0.53 -1.35 117.35 128.77 3gqa s TYR 135 Ca 0.08 -0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 3gqa s TYR 135 Cb -0.12 -1.65 0.03 0.00 0.35 0.00 0.00 41.96 40.57 3gqa s TYR 135 CO 0.02 0.01 -0.01 0.08 -1.34 0.00 0.00 175.55 174.31 3gqa s VAL 136 N -0.40 3.16 0.07 3.14 1.01 0.62 -1.73 120.40 126.27 3gqa s VAL 136 Ca 0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3gqa s VAL 136 Cb -0.12 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3gqa s VAL 136 CO 0.02 0.07 0.10 -0.81 0.00 0.00 0.00 175.10 174.47 3gqa n PRO 137 N 4.70 0.26 -1.62 2.72 -0.04 -1.26 -0.61 135.00 139.14 3gqa n PRO 137 Ca -0.15 -0.21 -0.45 0.00 -0.04 0.00 0.00 63.50 62.66 3gqa n PRO 137 Cb 0.46 -0.08 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 3gqa n PRO 137 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gqa n TYR 138 N -1.80 1.63 0.00 0.54 9.36 -1.26 -4.30 117.16 121.33 3gqa n TYR 138 Ca 0.01 0.62 0.00 0.00 3.32 0.00 0.00 57.90 61.86 3gqa n TYR 138 Cb 0.05 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.44 3gqa n TYR 138 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gqa n GLY 139 N 1.42 3.08 3.31 2.98 0.00 -0.48 -4.93 105.19 110.56 3gqa n GLY 139 Ca 0.10 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 3gqa n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqa s THR 140 N -2.00 4.13 -0.43 2.61 2.01 -1.11 -1.08 115.64 119.77 3gqa s THR 140 Ca 0.00 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 3gqa s THR 140 Cb 0.00 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.18 3gqa s THR 140 CO 0.00 -0.26 0.36 -0.36 -0.69 0.00 0.00 174.62 173.67 3gqa s PHE 141 N 1.46 3.22 0.20 4.92 0.40 0.92 -0.86 117.98 128.23 3gqa s PHE 141 Ca 0.00 -0.64 -0.22 0.00 -0.60 0.00 0.00 56.93 55.47 3gqa s PHE 141 Cb -0.20 -2.84 -0.08 0.00 0.51 0.00 0.00 43.02 40.41 3gqa s PHE 141 CO 0.04 -0.69 0.75 -1.64 0.70 0.00 0.00 175.22 174.38 3gqa s MET 142 N 1.79 4.39 -0.03 0.44 -1.94 -1.25 -1.75 119.30 120.95 3gqa s MET 142 Ca 0.06 1.00 0.01 0.00 -1.71 0.00 0.00 55.69 55.05 3gqa s MET 142 Cb -0.20 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.62 3gqa s MET 142 CO 0.10 0.47 -0.00 0.54 -0.01 0.00 0.00 175.02 176.11 3gqa s VAL 143 N -1.36 0.18 -1.59 -6.03 0.11 -0.37 -0.16 120.40 111.19 3gqa s VAL 143 Ca 0.40 0.06 0.25 0.00 -2.93 0.00 0.00 61.98 59.75 3gqa s VAL 143 Cb -0.19 -0.26 0.14 0.00 -1.53 0.00 0.00 36.38 34.54 3gqa s VAL 143 CO 0.23 0.13 1.41 -1.54 -3.33 0.00 0.00 175.10 172.01 3gqa n SER 144 N 3.96 1.07 -3.97 3.54 3.41 -1.26 -1.34 113.62 119.04 3gqa n SER 144 Ca -0.25 -0.86 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 3gqa n SER 144 Cb 0.52 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 3gqa n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqa s ARG 145 N -2.63 1.57 0.53 4.33 1.70 -1.26 -4.76 118.95 118.43 3gqa s ARG 145 Ca 0.20 -1.20 -0.22 0.00 -0.47 0.00 0.00 55.73 54.03 3gqa s ARG 145 Cb 0.18 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 35.00 3gqa s ARG 145 CO 0.59 -0.67 1.38 0.41 -1.08 0.00 0.00 175.30 175.94 3gqa n GLY 146 N -0.39 0.84 3.56 3.88 0.00 -1.26 -4.97 105.19 106.85 3gqa n GLY 146 Ca -0.02 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gqa n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqa s ILE 147 N -1.27 4.86 -0.12 -0.61 1.01 0.07 -4.98 121.20 120.17 3gqa s ILE 147 Ca 0.70 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.69 3gqa s ILE 147 Cb -0.42 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 3gqa s ILE 147 CO 0.51 -0.39 0.32 -0.54 0.00 0.00 0.00 174.94 174.83 3gqa s LYS 148 N 2.77 4.11 -0.23 2.79 1.02 -1.26 -1.81 119.74 127.14 3gqa s LYS 148 Ca 0.24 0.17 -0.06 0.00 0.02 0.00 0.00 55.97 56.35 3gqa s LYS 148 Cb -0.14 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3gqa s LYS 148 CO 0.16 0.38 0.03 -0.51 -0.92 0.00 0.00 175.35 174.49 3gqa s LEU 149 N 0.02 3.30 0.91 3.17 1.43 0.60 -4.73 118.68 123.37 3gqa s LEU 149 Ca 0.19 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 3gqa s LEU 149 Cb -0.14 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.40 3gqa s LEU 149 CO 0.06 -0.01 1.25 -2.16 0.23 0.00 0.00 176.35 175.72 3gqa s PRO 150 N 1.44 0.84 0.72 1.29 0.04 -1.26 0.44 135.00 138.51 3gqa s PRO 150 Ca 0.05 -0.63 -0.14 0.00 0.04 0.00 0.00 61.00 60.32 3gqa s PRO 150 Cb -0.15 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3gqa s PRO 150 CO 0.02 -2.21 1.15 -1.12 0.04 0.00 0.00 177.00 174.88 3gqa s SER 151 N -4.87 4.50 -1.26 6.66 0.01 -1.26 -3.82 113.70 113.66 3gqa s SER 151 Ca 0.73 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 60.14 3gqa s SER 151 Cb -0.04 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3gqa s SER 151 CO 0.51 -2.05 0.81 0.59 0.41 0.00 0.00 173.24 173.51 3gqa n ASN 152 N -2.77 -1.57 -4.64 2.44 3.02 0.13 -4.95 115.26 106.92 3gqa n ASN 152 Ca 0.12 -0.75 -0.35 0.00 -0.03 0.00 0.00 54.58 53.57 3gqa n ASN 152 Cb 0.51 -4.46 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 3gqa n ASN 152 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gqa s THR 153 N -3.55 4.53 -0.23 3.41 2.01 -0.79 -5.00 115.64 116.02 3gqa s THR 153 Ca 0.01 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3gqa s THR 153 Cb -0.00 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.55 3gqa s THR 153 CO 0.78 0.53 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.44 3gqa s VAL 154 N -0.14 2.61 -0.20 3.82 1.01 -1.26 -1.11 120.40 125.12 3gqa s VAL 154 Ca 0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 3gqa s VAL 154 Cb -0.12 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3gqa s VAL 154 CO 0.02 0.29 -0.04 -0.22 0.00 0.00 0.00 175.10 175.14 3gqa s LEU 155 N 1.30 2.01 0.00 3.92 2.96 -0.24 -0.31 118.68 128.32 3gqa s LEU 155 Ca 0.01 -0.94 0.05 0.00 -0.22 0.00 0.00 54.13 53.03 3gqa s LEU 155 Cb -0.16 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3gqa s LEU 155 CO -0.07 -0.23 -0.16 0.28 -1.32 0.00 0.00 176.35 174.86 3gqa s THR 156 N 1.55 1.23 0.51 3.68 -1.32 -0.45 -1.48 115.64 119.35 3gqa s THR 156 Ca -0.03 -0.75 0.06 0.00 -1.21 0.00 0.00 61.69 59.77 3gqa s THR 156 Cb -0.17 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.80 3gqa s THR 156 CO -0.07 0.28 0.42 -0.83 -2.21 0.00 0.00 174.62 172.21 3gqa s GLY 157 N -0.55 2.26 0.06 6.08 0.00 0.41 -0.28 107.32 115.31 3gqa s GLY 157 Ca 0.05 -1.52 0.19 0.00 0.00 0.00 0.00 44.72 43.45 3gqa s GLY 157 CO -0.00 -1.87 1.61 0.00 0.00 0.00 0.00 173.10 172.84 3gqa n ALA 158 N -1.74 1.81 0.00 3.20 0.00 0.22 -4.72 120.51 119.28 3gqa n ALA 158 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gqa n ALA 158 Cb 0.64 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3gqa n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqa n GLY 159 N 0.32 3.58 3.68 0.00 0.00 0.01 -4.76 105.19 108.02 3gqa n GLY 159 Ca 0.04 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 3gqa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqa n LYS 160 N -1.64 2.03 -1.76 1.61 5.02 -1.26 -1.06 118.16 121.10 3gqa n LYS 160 Ca 0.00 0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 3gqa n LYS 160 Cb 0.00 -2.28 -0.07 0.00 -0.02 0.00 0.00 35.03 32.66 3gqa n LYS 160 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gqa n ARG 161 N 0.78 -1.50 0.02 1.97 1.74 -1.26 -4.71 116.66 113.71 3gqa n ARG 161 Ca 0.06 1.16 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 3gqa n ARG 161 Cb 0.35 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 3gqa n ARG 161 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gqa n ASN 162 N -1.47 0.12 -4.59 0.55 2.85 -0.72 -4.97 115.26 107.03 3gqa n ASN 162 Ca -0.21 0.07 -0.42 0.00 -0.11 0.00 0.00 54.58 53.91 3gqa n ASN 162 Cb 0.67 0.01 -0.06 0.00 1.24 0.00 0.00 39.78 41.64 3gqa n ASN 162 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gqa s ALA 163 N -2.00 3.48 -0.09 5.20 0.00 -0.22 -1.38 121.76 126.75 3gqa s ALA 163 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3gqa s ALA 163 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3gqa s ALA 163 CO 0.00 -1.27 -0.16 0.08 0.00 0.00 0.00 175.76 174.41 3gqa s VAL 164 N 2.79 1.45 -0.12 0.00 1.01 -0.24 -0.87 120.40 124.43 3gqa s VAL 164 Ca 0.27 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3gqa s VAL 164 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3gqa s VAL 164 CO 0.14 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 3gqa s ILE 165 N 0.71 3.06 -0.08 2.22 1.01 0.42 -0.06 121.20 128.48 3gqa s ILE 165 Ca -0.13 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3gqa s ILE 165 Cb -0.16 -2.27 0.04 0.00 0.01 0.00 0.00 42.46 40.08 3gqa s ILE 165 CO 0.03 0.53 0.20 -0.60 0.00 0.00 0.00 174.94 175.10 3gqa s ARG 166 N 0.18 0.18 0.34 2.79 3.52 -0.72 0.01 118.95 125.24 3gqa s ARG 166 Ca -0.08 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.64 3gqa s ARG 166 Cb -0.15 -0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.07 3gqa s ARG 166 CO 0.05 -0.12 1.37 -0.06 -0.81 0.00 0.00 175.30 175.73 3gqa s PHE 167 N 0.87 2.91 0.60 5.12 2.99 -1.03 -1.23 117.98 128.20 3gqa s PHE 167 Ca -0.06 1.30 -0.17 0.00 0.00 0.00 0.00 56.93 58.00 3gqa s PHE 167 Cb -0.08 -3.79 -0.03 0.00 0.00 0.00 0.00 43.02 39.12 3gqa s PHE 167 CO -0.05 -2.27 1.11 -1.64 -0.00 0.00 0.00 175.22 172.37 3gqa s MET 168 N -1.74 3.09 0.47 0.44 -1.94 -0.45 -4.71 119.30 114.46 3gqa s MET 168 Ca 0.51 1.47 0.23 0.00 -1.71 0.00 0.00 55.69 56.19 3gqa s MET 168 Cb -0.42 -1.98 1.25 0.00 2.01 0.00 0.00 34.83 35.69 3gqa s MET 168 CO 0.55 -1.03 1.89 -0.44 -0.01 0.00 0.00 175.02 175.98 3gqa h ASP 169 N 0.59 0.22 0.09 3.03 3.32 -1.94 -2.24 116.42 119.49 3gqa h ASP 169 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3gqa h ASP 169 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gqa h ASP 169 CO 0.56 0.09 -0.05 -1.54 -1.72 0.00 0.00 179.24 176.58 3gqa n SER 170 N -4.41 0.91 -4.73 6.45 3.41 -1.26 -4.90 113.62 109.08 3gqa n SER 170 Ca 0.18 -1.14 -0.42 0.00 -0.26 0.00 0.00 58.87 57.23 3gqa n SER 170 Cb 0.77 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3gqa n SER 170 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gqa s VAL 171 N -2.15 2.68 0.00 -3.33 1.01 -0.85 -5.02 120.40 112.75 3gqa s VAL 171 Ca 0.37 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3gqa s VAL 171 Cb 0.21 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3gqa s VAL 171 CO 0.39 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3gqa n GLY 172 N 3.12 0.41 3.75 4.51 0.00 -1.26 -5.01 105.19 110.71 3gqa n GLY 172 Ca 0.11 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 3gqa n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqa s ARG 173 N 0.00 2.77 0.00 1.61 1.81 -1.26 -4.78 118.95 119.10 3gqa s ARG 173 Ca 0.00 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 3gqa s ARG 173 Cb 0.00 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 3gqa s ARG 173 CO 0.00 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.56 3gqa n GLY 174 N 0.26 1.87 3.37 -3.53 0.00 -1.26 -5.11 105.19 100.79 3gqa n GLY 174 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3gqa n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqa s GLU 175 N 0.00 2.26 0.70 1.61 2.02 -1.26 -4.51 118.70 119.52 3gqa s GLU 175 Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.00 3gqa s GLU 175 Cb 0.00 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 32.09 3gqa s GLU 175 CO 0.00 0.58 1.14 -1.12 0.02 0.00 0.00 175.26 175.87 3gqa s SER 176 N -0.64 4.67 0.25 -0.19 0.01 -1.26 -3.93 113.70 112.61 3gqa s SER 176 Ca 0.10 2.09 -0.04 0.00 1.31 0.00 0.00 55.95 59.41 3gqa s SER 176 Cb -0.10 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.85 3gqa s SER 176 CO -0.00 -1.93 1.77 0.25 0.41 0.00 0.00 173.24 173.74 3gqa h LEU 177 N -0.29 0.88 -7.46 2.44 6.46 -1.36 -3.39 115.31 112.59 3gqa h LEU 177 Ca -0.46 -0.18 -0.22 0.00 -0.12 0.00 0.00 57.88 56.90 3gqa h LEU 177 Cb 1.26 -0.23 -0.30 0.00 -0.73 0.00 0.00 40.66 40.66 3gqa h LEU 177 CO 0.52 0.87 -0.55 -0.32 -0.62 0.00 0.00 178.44 178.34 3gqa s MET 178 N -5.18 0.14 0.02 1.25 0.00 -0.77 -0.75 119.30 114.01 3gqa s MET 178 Ca -0.10 0.36 -0.27 0.00 0.00 0.00 0.00 55.69 55.67 3gqa s MET 178 Cb 0.15 -0.08 0.09 0.00 0.00 0.00 0.00 34.83 34.99 3gqa s MET 178 CO 0.82 -0.12 0.79 1.52 0.00 0.00 0.00 175.02 178.03 3gqa s TYR 179 N 0.85 -0.44 0.34 4.11 1.13 -0.75 -1.35 117.35 121.24 3gqa s TYR 179 Ca -0.06 0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 55.72 3gqa s TYR 179 Cb -0.08 0.52 -0.09 0.00 -1.10 0.00 0.00 41.96 41.21 3gqa s TYR 179 CO -0.05 -0.62 1.16 0.54 -2.51 0.00 0.00 175.55 174.07 3gqa s ASN 180 N -2.26 6.89 0.16 -0.18 2.20 -1.21 -0.29 114.94 120.24 3gqa s ASN 180 Ca 0.01 2.36 -0.22 0.00 -0.94 0.00 0.00 52.86 54.08 3gqa s ASN 180 Cb -0.01 -2.62 0.06 0.00 -2.00 0.00 0.00 41.25 36.68 3gqa s ASN 180 CO -0.07 -0.42 1.62 -0.08 -2.94 0.00 0.00 177.10 175.21 3gqa h GLU 181 N 3.25 -0.22 -5.20 3.55 4.22 -0.30 -3.37 114.58 116.51 3gqa h GLU 181 Ca -0.48 0.01 -0.66 0.00 0.08 0.00 0.00 59.36 58.32 3gqa h GLU 181 Cb 1.22 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 3gqa h GLU 181 CO 0.65 -0.15 0.61 1.21 -2.18 0.00 0.00 179.01 179.16 3gqa s ASN 182 N -5.07 6.35 0.40 1.04 3.84 -1.26 -4.87 114.94 115.37 3gqa s ASN 182 Ca -0.15 -1.45 0.21 0.00 0.21 0.00 0.00 52.86 51.68 3gqa s ASN 182 Cb 0.13 -2.40 0.73 0.00 -0.55 0.00 0.00 41.25 39.17 3gqa s ASN 182 CO 0.68 -1.26 1.75 0.58 -2.79 0.00 0.00 177.10 176.06 3gqa h VAL 183 N 5.92 0.74 0.03 -5.21 2.07 -1.88 -1.35 116.25 116.57 3gqa h VAL 183 Ca -0.11 -1.40 -0.38 0.00 0.82 0.00 0.00 66.70 65.63 3gqa h VAL 183 Cb 1.05 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3gqa h VAL 183 CO 1.15 0.31 -2.18 0.35 0.02 0.00 0.00 177.57 177.22 3gqa n THR 184 N -3.45 1.58 0.16 2.57 -2.24 -1.26 -0.83 114.28 110.80 3gqa n THR 184 Ca 0.00 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.34 3gqa n THR 184 Cb 0.49 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 3gqa n THR 184 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gqa n THR 185 N -3.74 0.00 -0.17 4.28 -2.24 -1.25 -4.10 114.28 107.05 3gqa n THR 185 Ca -0.42 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3gqa n THR 185 Cb 0.93 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 3gqa n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqa n GLY 186 N 0.59 -2.96 3.44 3.38 0.00 -0.51 -4.84 105.19 104.29 3gqa n GLY 186 Ca 0.02 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 3gqa n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqa s ASN 187 N -1.47 2.36 0.03 1.61 0.01 -1.25 -4.68 114.94 111.54 3gqa s ASN 187 Ca 0.00 -1.66 -0.00 0.00 -0.71 0.00 0.00 52.86 50.48 3gqa s ASN 187 Cb 0.00 0.48 -0.03 0.00 0.41 0.00 0.00 41.25 42.11 3gqa s ASN 187 CO 0.00 -0.94 -0.03 -1.83 -1.51 0.00 0.00 177.10 172.79 3gqa s GLU 188 N -3.69 0.44 -0.71 -0.60 -1.05 -1.26 -1.53 118.70 110.30 3gqa s GLU 188 Ca 0.29 -0.87 -0.00 0.00 -0.15 0.00 0.00 54.97 54.24 3gqa s GLU 188 Cb 0.03 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 3gqa s GLU 188 CO 0.17 -0.08 0.67 0.09 0.95 0.00 0.00 175.26 177.07 3gqa n ASN 189 N 0.96 -7.31 -4.18 0.83 3.02 -0.29 -0.69 115.26 107.61 3gqa n ASN 189 Ca -0.20 -0.11 -0.33 0.00 -0.03 0.00 0.00 54.58 53.91 3gqa n ASN 189 Cb 0.58 -5.00 -0.16 0.00 -0.61 0.00 0.00 39.78 34.58 3gqa n ASN 189 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqa s ILE 190 N -3.03 2.21 -0.25 2.41 1.01 -0.73 -1.65 121.20 121.17 3gqa s ILE 190 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3gqa s ILE 190 Cb -0.00 -1.90 0.07 0.00 0.01 0.00 0.00 42.46 40.63 3gqa s ILE 190 CO 0.70 0.54 -0.05 -0.36 0.00 0.00 0.00 174.94 175.76 3gqa s PHE 191 N 0.95 2.71 -0.13 3.97 0.40 -0.27 -1.21 117.98 124.40 3gqa s PHE 191 Ca -0.03 -2.01 0.02 0.00 -0.60 0.00 0.00 56.93 54.30 3gqa s PHE 191 Cb -0.15 -1.79 -0.00 0.00 0.51 0.00 0.00 43.02 41.59 3gqa s PHE 191 CO -0.04 -0.82 -0.19 -0.51 0.70 0.00 0.00 175.22 174.35 3gqa s LEU 192 N 1.29 2.32 -0.07 -0.37 1.43 0.00 -1.08 118.68 122.19 3gqa s LEU 192 Ca -0.05 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.49 3gqa s LEU 192 Cb -0.19 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gqa s LEU 192 CO -0.07 0.13 0.19 -0.44 0.23 0.00 0.00 176.35 176.39 3gqa s SER 193 N 0.54 -0.19 -0.78 2.29 0.01 -0.55 -1.13 113.70 113.88 3gqa s SER 193 Ca -0.12 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.47 3gqa s SER 193 Cb -0.16 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 3gqa s SER 193 CO 0.04 -0.08 0.68 -1.20 0.41 0.00 0.00 173.24 173.09 3gqa n SER 194 N 2.92 -4.97 -3.71 2.44 7.64 -0.66 -0.44 113.62 116.84 3gqa n SER 194 Ca -0.13 -0.51 -0.09 0.00 1.01 0.00 0.00 58.87 59.15 3gqa n SER 194 Cb 0.59 -3.93 -0.02 0.00 -1.01 0.00 0.00 64.21 59.84 3gqa n SER 194 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3gqa s PHE 195 N -3.28 -0.29 -0.12 1.43 -0.12 -1.12 -0.81 117.98 113.67 3gqa s PHE 195 Ca 0.29 -0.08 -0.08 0.00 -0.05 0.00 0.00 56.93 57.01 3gqa s PHE 195 Cb -0.04 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 3gqa s PHE 195 CO 0.54 -1.08 0.17 0.99 -0.05 0.00 0.00 175.22 175.79 3gqa s THR 196 N -3.86 5.44 -0.26 -4.49 2.01 -0.05 -2.01 115.64 112.42 3gqa s THR 196 Ca 0.08 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 3gqa s THR 196 Cb -0.04 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.04 3gqa s THR 196 CO -0.00 0.58 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.75 3gqa s LEU 197 N -0.79 3.39 -0.36 4.42 1.43 0.96 -0.44 118.68 127.29 3gqa s LEU 197 Ca 0.15 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3gqa s LEU 197 Cb -0.12 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.40 3gqa s LEU 197 CO 0.04 -0.13 0.14 -0.62 0.23 0.00 0.00 176.35 176.01 3gqa s ASP 198 N 1.42 5.30 0.00 2.29 3.68 0.10 -0.94 116.67 128.51 3gqa s ASP 198 Ca 0.02 -1.42 0.22 0.00 2.13 0.00 0.00 52.55 53.50 3gqa s ASP 198 Cb -0.16 -1.86 1.08 0.00 -1.45 0.00 0.00 42.92 40.52 3gqa s ASP 198 CO -0.02 -0.40 1.69 0.61 0.13 0.00 0.00 175.17 177.18 3gqa n GLY 199 N 4.76 -1.01 4.00 2.66 0.00 -0.79 -2.47 105.19 112.34 3gqa n GLY 199 Ca -0.10 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3gqa n GLY 199 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gqa n ASN 200 N -1.30 -1.28 0.07 1.61 4.05 -1.15 -4.58 115.26 112.68 3gqa n ASN 200 Ca 0.10 -1.10 0.01 0.00 0.45 0.00 0.00 54.58 54.04 3gqa n ASN 200 Cb 0.18 -2.64 0.35 0.00 1.23 0.00 0.00 39.78 38.90 3gqa n ASN 200 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 3gqa h ASN 201 N -1.93 0.34 -1.16 1.20 -1.24 -1.78 -3.00 115.58 108.02 3gqa h ASN 201 Ca -0.65 -0.06 0.42 0.00 0.71 0.00 0.00 56.30 56.71 3gqa h ASN 201 Cb 1.38 -0.09 -0.15 0.00 0.73 0.00 0.00 38.32 40.19 3gqa h ASN 201 CO 0.61 0.45 0.69 0.11 -1.29 0.00 0.00 177.43 178.00 3gqa h LYS 202 N 0.35 0.07 -0.00 6.67 1.57 -1.84 -0.85 116.57 122.54 3gqa h LYS 202 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gqa h LYS 202 Cb 0.34 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3gqa h LYS 202 CO 0.01 0.05 0.00 0.07 -0.57 0.00 0.00 179.45 179.01 3gqa h ARG 203 N 0.07 0.00 -0.03 3.15 0.11 -1.87 -1.87 114.38 113.94 3gqa h ARG 203 Ca 0.83 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.91 3gqa h ARG 203 Cb 2.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.44 3gqa h ARG 203 CO -0.60 0.00 0.00 1.28 0.10 0.00 0.00 179.97 180.75 3gqa n LEU 204 N -3.22 1.90 0.00 0.08 4.77 -0.33 -5.03 117.00 115.17 3gqa n LEU 204 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3gqa n LEU 204 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gqa n LEU 204 CO 0.21 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3gqa n GLY 205 N 1.22 -0.80 3.91 -0.72 0.00 -0.70 -4.95 105.19 103.15 3gqa n GLY 205 Ca 0.18 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 3gqa n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqa s GLN 206 N -1.68 3.59 0.00 1.61 -1.52 -1.26 -4.41 119.66 115.98 3gqa s GLN 206 Ca 0.00 -0.06 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 3gqa s GLN 206 Cb 0.00 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 3gqa s GLN 206 CO 0.00 0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.61 3gqa n GLY 207 N -1.27 0.66 3.77 3.09 0.00 -1.26 -5.06 105.19 105.12 3gqa n GLY 207 Ca -0.02 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3gqa n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqa s ILE 208 N -2.00 4.86 0.22 -0.61 1.01 -1.26 -5.10 121.20 118.31 3gqa s ILE 208 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3gqa s ILE 208 Cb 0.00 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 3gqa s ILE 208 CO 0.00 0.60 0.03 -0.24 0.00 0.00 0.00 174.94 175.33 3gqa n SER 209 N 2.02 2.00 -4.73 3.58 2.88 -1.26 -4.84 113.62 113.28 3gqa n SER 209 Ca -0.19 -2.02 -0.39 0.00 -1.33 0.00 0.00 58.87 54.94 3gqa n SER 209 Cb 0.54 0.29 0.03 0.00 -0.75 0.00 0.00 64.21 64.33 3gqa n SER 209 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gqa n GLY 210 N 1.66 0.73 0.13 0.46 0.00 -1.23 -4.87 105.19 102.07 3gqa n GLY 210 Ca -0.07 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3gqa n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gqa h ILE 211 N 1.69 0.00 0.00 -0.61 2.10 -1.97 -3.46 117.51 115.26 3gqa h ILE 211 Ca -0.50 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.03 3gqa h ILE 211 Cb 1.30 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 3gqa h ILE 211 CO 0.58 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.26 3gqa n GLY 212 N 0.69 2.90 7.00 8.18 0.00 -1.26 -5.08 105.19 117.62 3gqa n GLY 212 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gqa n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqa n GLY 213 N -0.08 3.26 0.80 -0.02 0.00 -1.26 -2.57 105.19 105.33 3gqa n GLY 213 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3gqa n GLY 213 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gqa n SER 214 N 2.95 2.32 -4.76 1.61 3.41 0.67 -4.89 113.62 114.92 3gqa n SER 214 Ca 0.00 -2.05 -0.40 0.00 -0.26 0.00 0.00 58.87 56.16 3gqa n SER 214 Cb 0.00 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3gqa n SER 214 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gqa s ARG 215 N -1.51 4.45 0.00 4.33 0.52 -1.06 -4.21 118.95 121.48 3gqa s ARG 215 Ca 0.28 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 3gqa s ARG 215 Cb 0.15 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.58 3gqa s ARG 215 CO 0.18 0.01 0.00 0.39 0.02 0.00 0.00 175.30 175.90 3gqa n GLU 216 N 0.84 0.00 -1.70 3.54 1.02 -1.25 -4.31 120.64 118.77 3gqa n GLU 216 Ca 0.00 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 3gqa n GLU 216 Cb 0.45 -2.82 0.07 0.00 -0.02 0.00 0.00 31.44 29.11 3gqa n GLU 216 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3gqa s SER 217 N -2.76 5.00 0.19 1.62 0.01 -1.26 -1.71 113.70 114.78 3gqa s SER 217 Ca 0.00 1.26 -0.10 0.00 1.31 0.00 0.00 55.95 58.42 3gqa s SER 217 Cb 0.00 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.30 3gqa s SER 217 CO 0.00 -1.64 1.72 0.78 0.41 0.00 0.00 173.24 174.51 3gqa h ASN 218 N -0.86 0.98 -3.37 2.44 4.21 -1.16 -2.06 115.58 115.76 3gqa h ASN 218 Ca -0.46 -0.21 -0.37 0.00 1.21 0.00 0.00 56.30 56.47 3gqa h ASN 218 Cb 1.26 -0.26 -0.37 0.00 -1.12 0.00 0.00 38.32 37.83 3gqa h ASN 218 CO 0.61 0.93 -0.75 -0.22 -1.29 0.00 0.00 177.43 176.71 3gqa s LEU 219 N -9.63 0.65 -0.09 1.61 2.96 -0.62 -1.85 118.68 111.71 3gqa s LEU 219 Ca -0.12 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3gqa s LEU 219 Cb 0.14 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.61 3gqa s LEU 219 CO 0.83 -0.18 -0.15 -0.44 -1.32 0.00 0.00 176.35 175.08 3gqa s SER 220 N 1.66 2.24 -0.19 3.68 0.01 -0.46 -1.21 113.70 119.44 3gqa s SER 220 Ca -0.01 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3gqa s SER 220 Cb -0.13 -1.02 0.03 0.00 0.21 0.00 0.00 66.02 65.11 3gqa s SER 220 CO -0.03 0.05 -0.17 -0.63 0.41 0.00 0.00 173.24 172.87 3gqa s ILE 221 N 0.71 2.01 -0.14 1.44 -1.09 0.06 -3.30 121.20 120.89 3gqa s ILE 221 Ca -0.13 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 3gqa s ILE 221 Cb -0.16 -1.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 3gqa s ILE 221 CO 0.03 0.42 -0.13 -0.13 -1.23 0.00 0.00 174.94 173.90 3gqa s ARG 222 N 1.28 2.16 -1.85 2.79 0.52 -1.26 -0.53 118.95 122.06 3gqa s ARG 222 Ca 0.02 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 3gqa s ARG 222 Cb -0.14 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3gqa s ARG 222 CO -0.11 -0.22 0.00 0.00 0.02 0.00 0.00 175.30 174.99 3gqa n ALA 223 N 4.73 -0.48 -2.80 2.13 0.00 -0.60 -4.16 120.51 119.32 3gqa n ALA 223 Ca -0.16 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 3gqa n ALA 223 Cb 0.50 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 3gqa n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqa s HIS 225 N -1.61 2.63 -0.31 0.00 3.76 -0.58 -0.35 115.29 118.82 3gqa s HIS 225 Ca 0.38 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 3gqa s HIS 225 Cb -0.12 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3gqa s HIS 225 CO 0.27 -0.16 0.31 0.09 -0.85 0.00 0.00 174.74 174.40 3gqa n ASN 226 N 3.08 -4.65 -4.12 1.40 3.02 -0.43 -1.14 115.26 112.43 3gqa n ASN 226 Ca -0.18 0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 3gqa n ASN 226 Cb 0.52 -2.97 -0.17 0.00 -0.61 0.00 0.00 39.78 36.56 3gqa n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqa s VAL 227 N -2.81 1.67 -0.19 2.41 1.01 -0.54 -1.77 120.40 120.18 3gqa s VAL 227 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3gqa s VAL 227 Cb -0.00 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3gqa s VAL 227 CO 0.34 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.43 3gqa s TYR 228 N 0.69 2.81 -0.25 5.22 1.51 -0.35 -1.04 117.35 125.94 3gqa s TYR 228 Ca -0.12 -1.56 0.03 0.00 -1.01 0.00 0.00 57.07 54.40 3gqa s TYR 228 Cb -0.16 -1.94 0.06 0.00 -0.11 0.00 0.00 41.96 39.80 3gqa s TYR 228 CO 0.03 -0.78 -0.11 0.42 -1.11 0.00 0.00 175.55 174.00 3gqa s ILE 229 N 1.31 2.10 -0.01 2.71 1.01 0.74 -0.82 121.20 128.24 3gqa s ILE 229 Ca 0.05 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.20 3gqa s ILE 229 Cb -0.13 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3gqa s ILE 229 CO -0.12 0.02 -0.11 -0.13 0.00 0.00 0.00 174.94 174.61 3gqa s ARG 230 N 1.15 0.94 -1.48 2.79 0.52 -0.29 -0.99 118.95 121.59 3gqa s ARG 230 Ca -0.07 -0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 3gqa s ARG 230 Cb -0.19 -0.90 0.06 0.00 0.52 0.00 0.00 34.95 34.44 3gqa s ARG 230 CO -0.06 0.20 0.93 -0.25 0.02 0.00 0.00 175.30 176.14 3gqa n ASP 231 N 2.96 -4.08 -4.62 0.23 8.00 -0.52 -1.66 116.55 116.86 3gqa n ASP 231 Ca -0.15 -0.78 -0.34 0.00 0.71 0.00 0.00 54.79 54.22 3gqa n ASP 231 Cb 0.56 -3.95 -0.10 0.00 -0.02 0.00 0.00 41.12 37.60 3gqa n ASP 231 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gqa s ILE 232 N -3.39 4.67 -0.24 0.53 -1.09 -1.26 -2.37 121.20 118.07 3gqa s ILE 232 Ca 0.52 -0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.79 3gqa s ILE 232 Cb -0.26 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3gqa s ILE 232 CO 0.82 0.47 0.07 -0.70 -1.23 0.00 0.00 174.94 174.38 3gqa s GLU 233 N 0.34 3.73 -0.27 2.79 2.12 -0.85 -1.18 118.70 125.39 3gqa s GLU 233 Ca 0.02 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 3gqa s GLU 233 Cb -0.13 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.97 3gqa s GLU 233 CO 0.00 -0.09 -0.01 0.00 -0.54 0.00 0.00 175.26 174.62 3gqa s ALA 234 N 1.37 2.84 0.22 6.30 0.00 0.58 -0.03 121.76 133.05 3gqa s ALA 234 Ca 0.05 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 50.63 3gqa s ALA 234 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 3gqa s ALA 234 CO 0.04 -0.88 -0.16 0.14 0.00 0.00 0.00 175.76 174.90 3gqa s VAL 235 N 1.38 1.95 -1.21 0.00 -7.23 -0.12 -1.18 120.40 113.99 3gqa s VAL 235 Ca 0.01 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.62 3gqa s VAL 235 Cb -0.17 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.70 3gqa s VAL 235 CO -0.02 -0.53 0.68 -0.67 -0.31 0.00 0.00 175.10 174.26 3gqa n ASP 236 N -0.41 -4.19 -4.83 4.85 2.03 -1.14 -1.88 116.55 110.99 3gqa n ASP 236 Ca -0.07 -1.23 -0.38 0.00 0.52 0.00 0.00 54.79 53.63 3gqa n ASP 236 Cb 0.60 -2.10 -0.06 0.00 -0.72 0.00 0.00 41.12 38.84 3gqa n ASP 236 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gqa h THR 238 N 3.90 0.45 0.00 0.00 2.02 -1.85 -2.93 112.91 114.50 3gqa h THR 238 Ca -0.50 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3gqa h THR 238 Cb 1.21 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3gqa h THR 238 CO 0.63 0.11 0.00 -0.11 0.37 0.00 0.00 175.52 176.52 3gqa n LEU 239 N -5.03 0.00 -4.92 2.58 0.00 -0.70 -3.20 117.00 105.73 3gqa n LEU 239 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.74 3gqa n LEU 239 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.64 3gqa n LEU 239 CO 0.21 0.00 -0.00 -1.00 0.00 0.00 0.00 177.39 176.60 3gqa s HIS 240 N 0.81 2.96 -0.04 1.96 3.76 -1.26 -0.79 115.29 122.69 3gqa s HIS 240 Ca 0.00 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 3gqa s HIS 240 Cb 0.00 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 3gqa s HIS 240 CO 0.00 0.03 0.45 0.78 -0.85 0.00 0.00 174.74 175.15 3gqa h GLY 241 N 1.05 -0.36 -6.56 -2.22 0.00 -0.79 -1.31 103.07 92.88 3gqa h GLY 241 Ca -0.44 0.13 -0.48 0.00 0.00 0.00 0.00 47.33 46.54 3gqa h GLY 241 CO 0.55 -0.13 -0.79 -0.42 0.00 0.00 0.00 176.54 175.75 3gqa s ILE 242 N -2.67 0.79 -0.10 2.60 1.01 -0.38 -1.59 121.20 120.86 3gqa s ILE 242 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3gqa s ILE 242 Cb 0.01 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3gqa s ILE 242 CO 0.15 0.31 -0.15 -0.62 0.00 0.00 0.00 174.94 174.64 3gqa s ASP 243 N 1.49 2.37 -0.20 3.58 3.68 -0.35 -1.25 116.67 125.98 3gqa s ASP 243 Ca -0.01 -0.41 -0.05 0.00 2.13 0.00 0.00 52.55 54.22 3gqa s ASP 243 Cb -0.13 -1.06 -0.02 0.00 -1.45 0.00 0.00 42.92 40.26 3gqa s ASP 243 CO -0.04 0.02 -0.01 -0.63 0.13 0.00 0.00 175.17 174.64 3gqa s ILE 244 N 0.93 3.80 0.27 4.11 -1.09 -0.67 -0.76 121.20 127.80 3gqa s ILE 244 Ca -0.08 -0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 3gqa s ILE 244 Cb -0.15 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 3gqa s ILE 244 CO -0.01 0.43 0.32 0.28 -1.23 0.00 0.00 174.94 174.73 3gqa s THR 245 N 1.12 0.00 0.98 2.92 -1.32 0.31 0.52 115.64 120.17 3gqa s THR 245 Ca 0.02 -1.76 -0.17 0.00 -1.21 0.00 0.00 61.69 58.58 3gqa s THR 245 Cb -0.14 -2.46 0.24 0.00 -1.51 0.00 0.00 72.50 68.62 3gqa s THR 245 CO 0.01 0.00 1.07 0.00 -2.21 0.00 0.00 174.62 173.49 3gqa s GLY 247 N -4.88 2.71 0.00 0.00 0.00 0.04 -3.69 107.32 101.50 3gqa s GLY 247 Ca 0.65 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.39 3gqa s GLY 247 CO 0.47 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.60 3gqa n GLY 248 N 0.54 2.39 0.13 0.20 0.00 -0.01 -4.87 105.19 103.56 3gqa n GLY 248 Ca 0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 3gqa n GLY 248 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gqa h LEU 249 N 0.00 0.08-10.17 0.99 3.38 -1.90 -3.45 115.31 104.24 3gqa h LEU 249 Ca 0.00 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.41 3gqa h LEU 249 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gqa h LEU 249 CO 0.00 0.76 -0.07 -1.81 0.09 0.00 0.00 178.44 177.41 3gqa s ASP 250 N -6.85 6.39 -0.05 -0.43 1.01 -1.26 -0.24 116.67 115.24 3gqa s ASP 250 Ca -0.02 0.76 -0.25 0.00 0.71 0.00 0.00 52.55 53.76 3gqa s ASP 250 Cb 0.12 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3gqa s ASP 250 CO 0.79 -0.32 0.75 -0.31 0.21 0.00 0.00 175.17 176.29 3gqa s TYR 251 N -2.29 3.59 0.34 4.23 1.51 -1.26 -4.81 117.35 118.67 3gqa s TYR 251 Ca 0.45 1.33 -0.25 0.00 -1.01 0.00 0.00 57.07 57.59 3gqa s TYR 251 Cb -0.10 -2.86 -0.10 0.00 -0.11 0.00 0.00 41.96 38.79 3gqa s TYR 251 CO 0.34 0.07 0.96 -1.25 -1.11 0.00 0.00 175.55 174.56 3gqa s PRO 252 N 0.82 4.50 -0.54 -1.71 0.04 -1.26 -5.03 135.00 131.83 3gqa s PRO 252 Ca 0.40 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.80 3gqa s PRO 252 Cb -0.18 -2.70 0.15 0.00 0.04 0.00 0.00 34.50 31.80 3gqa s PRO 252 CO 0.20 0.20 0.32 0.71 0.04 0.00 0.00 177.00 178.48 3gqa s TYR 253 N -1.69 2.82 -2.92 0.56 1.51 -1.26 -4.94 117.35 111.44 3gqa s TYR 253 Ca 0.52 -2.96 0.24 0.00 -1.01 0.00 0.00 57.07 53.86 3gqa s TYR 253 Cb -0.18 -2.41 0.23 0.00 -0.11 0.00 0.00 41.96 39.50 3gqa s TYR 253 CO 0.23 -0.70 1.29 1.28 -1.11 0.00 0.00 175.55 176.53 3gqa n LEU 254 N 2.89 3.07 0.00 -1.29 4.77 -1.13 -4.93 117.00 120.38 3gqa n LEU 254 Ca 0.12 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3gqa n LEU 254 Cb 0.35 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3gqa n LEU 254 CO 0.28 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3gqa n GLY 255 N 1.37 2.09 3.74 -0.72 0.00 0.45 -4.86 105.19 107.26 3gqa n GLY 255 Ca 0.15 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3gqa n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqa s ASP 256 N 0.00 4.94 -0.71 1.61 2.15 -1.26 -3.53 116.67 119.88 3gqa s ASP 256 Ca 0.00 2.56 0.00 0.00 0.43 0.00 0.00 52.55 55.54 3gqa s ASP 256 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 3gqa s ASP 256 CO 0.00 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 173.84 3gqa n GLY 257 N 0.73 0.70 3.68 2.66 0.00 -1.26 -4.88 105.19 106.82 3gqa n GLY 257 Ca 0.14 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 3gqa n GLY 257 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqa s THR 258 N -2.28 2.45 -0.12 2.61 -4.23 -1.23 -5.09 115.64 107.75 3gqa s THR 258 Ca 0.00 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3gqa s THR 258 Cb 0.00 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.95 3gqa s THR 258 CO 0.00 -0.09 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.05 3gqa s THR 259 N -2.57 0.87 0.46 3.99 2.01 -1.26 -4.74 115.64 114.41 3gqa s THR 259 Ca 0.38 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.88 3gqa s THR 259 Cb 0.03 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3gqa s THR 259 CO 0.21 0.28 1.17 0.00 -0.69 0.00 0.00 174.62 175.58 3gqa s ALA 260 N 1.76 2.97 0.73 7.40 0.00 -1.26 -5.02 121.76 128.35 3gqa s ALA 260 Ca 0.04 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 3gqa s ALA 260 Cb -0.13 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.64 3gqa s ALA 260 CO -0.07 -0.66 1.12 -1.25 0.00 0.00 0.00 175.76 174.89 3gqa s PRO 261 N -2.71 2.36 -1.07 0.00 0.04 -1.26 -4.35 135.00 128.01 3gqa s PRO 261 Ca 0.64 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 3gqa s PRO 261 Cb -0.29 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3gqa s PRO 261 CO 0.35 -1.59 0.92 0.09 0.04 0.00 0.00 177.00 176.80 3gqa n ASN 262 N -3.01 -4.55 -4.74 6.66 3.02 -1.26 -4.05 115.26 107.34 3gqa n ASN 262 Ca 0.10 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.68 3gqa n ASN 262 Cb 0.52 -5.00 0.09 0.00 -0.61 0.00 0.00 39.78 34.78 3gqa n ASN 262 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gqa s PRO 263 N -4.76 2.24 0.55 3.52 0.04 -1.26 -0.78 135.00 134.56 3gqa s PRO 263 Ca 0.25 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 3gqa s PRO 263 Cb -0.03 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 3gqa s PRO 263 CO 0.71 -1.71 1.00 -1.12 0.04 0.00 0.00 177.00 175.92 3gqa s SER 264 N -2.44 6.49 -0.20 6.66 0.01 -1.24 -4.15 113.70 118.83 3gqa s SER 264 Ca 0.70 1.51 -0.23 0.00 1.31 0.00 0.00 55.95 59.24 3gqa s SER 264 Cb -0.24 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.56 3gqa s SER 264 CO 0.47 -0.68 0.62 -0.70 0.41 0.00 0.00 173.24 173.36 3gqa s GLU 265 N -4.44 0.78 -0.47 12.44 2.12 0.52 -1.83 118.70 127.82 3gqa s GLU 265 Ca 0.57 0.72 -0.13 0.00 0.36 0.00 0.00 54.97 56.50 3gqa s GLU 265 Cb -0.10 0.38 0.02 0.00 0.26 0.00 0.00 34.13 34.68 3gqa s GLU 265 CO 0.39 -0.13 0.60 -1.71 -0.54 0.00 0.00 175.26 173.87 3gqa n ASN 266 N 2.38 -7.79 -4.15 -1.70 5.15 -1.04 -1.32 115.26 106.79 3gqa n ASN 266 Ca -0.15 0.42 -0.25 0.00 -0.60 0.00 0.00 54.58 54.01 3gqa n ASN 266 Cb 0.56 -5.28 -0.15 0.00 -0.53 0.00 0.00 39.78 34.37 3gqa n ASN 266 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gqa s ILE 267 N -2.65 1.33 -0.08 -1.44 -1.09 -0.37 -1.47 121.20 115.44 3gqa s ILE 267 Ca 0.20 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 3gqa s ILE 267 Cb -0.06 -1.12 0.02 0.00 -1.58 0.00 0.00 42.46 39.73 3gqa s ILE 267 CO 0.75 0.38 -0.08 0.26 -1.23 0.00 0.00 174.94 175.01 3gqa s TRP 268 N -0.31 1.25 -0.20 3.97 0.52 -0.20 -1.71 118.94 122.27 3gqa s TRP 268 Ca 0.05 -0.50 0.01 0.00 0.02 0.00 0.00 56.10 55.67 3gqa s TRP 268 Cb -0.07 -1.01 0.04 0.00 -1.15 0.00 0.00 33.47 31.27 3gqa s TRP 268 CO -0.00 -0.34 -0.10 0.42 0.02 0.00 0.00 176.95 176.95 3gqa s ILE 269 N 1.14 1.60 -0.02 2.03 1.01 -0.32 -0.18 121.20 126.46 3gqa s ILE 269 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3gqa s ILE 269 Cb -0.14 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3gqa s ILE 269 CO -0.01 0.17 -0.00 -1.61 0.00 0.00 0.00 174.94 173.48 3gqa s GLU 270 N 1.41 0.18 -1.61 2.79 2.02 -0.16 -0.97 118.70 122.37 3gqa s GLU 270 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.98 3gqa s GLU 270 Cb -0.16 -0.30 0.01 0.00 0.10 0.00 0.00 34.13 33.77 3gqa s GLU 270 CO -0.08 -0.07 0.40 0.09 0.02 0.00 0.00 175.26 175.62 3gqa n ASN 271 N 3.68 -5.92 -4.91 -0.19 3.02 -0.78 -1.43 115.26 108.72 3gqa n ASN 271 Ca -0.21 -0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 53.89 3gqa n ASN 271 Cb 0.54 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 3gqa n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqa s GLU 273 N -3.36 1.29 -0.05 0.00 2.12 -0.32 -0.84 118.70 117.53 3gqa s GLU 273 Ca 0.34 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.17 3gqa s GLU 273 Cb -0.10 -1.21 0.01 0.00 0.26 0.00 0.00 34.13 33.09 3gqa s GLU 273 CO 0.27 0.29 -0.12 0.00 -0.54 0.00 0.00 175.26 175.16 3gqa s ALA 274 N -0.22 1.16 0.08 6.30 0.00 -0.17 -0.31 121.76 128.60 3gqa s ALA 274 Ca 0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 3gqa s ALA 274 Cb -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.57 3gqa s ALA 274 CO 0.00 0.13 0.28 -0.08 0.00 0.00 0.00 175.76 176.09 3gqa s THR 275 N 0.51 0.10 -1.19 0.00 -1.32 -0.33 -1.32 115.64 112.10 3gqa s THR 275 Ca -0.11 -0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 59.46 3gqa s THR 275 Cb -0.14 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.72 3gqa s THR 275 CO 0.03 -0.47 1.04 0.61 -2.21 0.00 0.00 174.62 173.61 3gqa n GLY 276 N 0.14 -0.37 3.97 6.08 0.00 -0.61 -2.86 105.19 111.54 3gqa n GLY 276 Ca -0.17 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3gqa n GLY 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gqa s PHE 277 N -3.29 3.18 -0.10 1.61 -0.71 -1.26 -1.31 117.98 116.10 3gqa s PHE 277 Ca 0.46 0.00 0.14 0.00 -1.04 0.00 0.00 56.93 56.49 3gqa s PHE 277 Cb -0.20 -2.13 -0.24 0.00 -1.21 0.00 0.00 43.02 39.24 3gqa s PHE 277 CO 0.65 -0.16 0.46 0.41 -1.34 0.00 0.00 175.22 175.24 3gqa n GLY 278 N -1.84 -0.99 0.00 1.99 0.00 0.03 -0.44 105.19 103.94 3gqa n GLY 278 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gqa n GLY 278 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gqa n ASP 279 N -2.96 0.00 -4.40 1.61 4.64 -0.31 -4.58 116.55 110.56 3gqa n ASP 279 Ca -0.22 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 52.92 3gqa n ASP 279 Cb 1.09 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 41.05 3gqa n ASP 279 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3gqa s ASP 280 N 0.96 3.25 -0.03 1.67 1.01 -1.26 -3.15 116.67 119.13 3gqa s ASP 280 Ca 0.00 -0.84 -0.17 0.00 0.71 0.00 0.00 52.55 52.24 3gqa s ASP 280 Cb 0.00 -0.23 -0.10 0.00 1.01 0.00 0.00 42.92 43.60 3gqa s ASP 280 CO 0.00 0.10 0.72 1.23 0.21 0.00 0.00 175.17 177.44 3gqa h GLY 281 N 3.34 -0.62 -6.36 0.21 0.00 -1.24 -2.05 103.07 96.36 3gqa h GLY 281 Ca -0.46 0.23 -0.44 0.00 0.00 0.00 0.00 47.33 46.66 3gqa h GLY 281 CO 0.47 -0.23 -0.78 -0.42 0.00 0.00 0.00 176.54 175.58 3gqa s ILE 282 N -3.56 0.65 0.03 2.60 1.01 -0.71 -1.24 121.20 119.97 3gqa s ILE 282 Ca -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 3gqa s ILE 282 Cb 0.01 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 3gqa s ILE 282 CO 0.28 0.27 0.13 0.28 0.00 0.00 0.00 174.94 175.90 3gqa s THR 283 N 1.15 0.11 0.02 2.92 -1.32 -0.38 -1.09 115.64 117.06 3gqa s THR 283 Ca -0.07 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.53 3gqa s THR 283 Cb -0.14 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 3gqa s THR 283 CO -0.01 -0.51 -0.14 0.42 -2.21 0.00 0.00 174.62 172.17 3gqa s THR 284 N -2.21 1.07 -0.00 5.08 -4.23 -0.68 -1.67 115.64 113.00 3gqa s THR 284 Ca -0.08 -0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3gqa s THR 284 Cb -0.03 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 3gqa s THR 284 CO -0.02 0.11 0.00 -1.00 -0.54 0.00 0.00 174.62 173.17 3gqa s HIS 285 N -0.64 0.00 -1.70 3.99 3.76 0.18 -1.51 115.29 119.39 3gqa s HIS 285 Ca 0.03 -0.01 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 3gqa s HIS 285 Cb -0.07 -0.00 0.15 0.00 1.11 0.00 0.00 32.58 33.77 3gqa s HIS 285 CO 0.01 -0.01 0.72 0.72 -0.85 0.00 0.00 174.74 175.33 3gqa n HIS 286 N 3.04 -1.67 -3.97 1.40 8.25 0.36 -3.15 115.22 119.49 3gqa n HIS 286 Ca -0.12 0.78 -0.10 0.00 -0.26 0.00 0.00 57.72 58.02 3gqa n HIS 286 Cb 0.60 -2.90 -0.07 0.00 1.12 0.00 0.00 29.99 28.74 3gqa n HIS 286 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gqa s SER 287 N -3.41 0.06 0.13 0.41 0.01 -1.21 -3.92 113.70 105.76 3gqa s SER 287 Ca 0.67 -0.89 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 3gqa s SER 287 Cb -0.37 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.30 3gqa s SER 287 CO 0.94 -0.88 0.31 0.00 0.41 0.00 0.00 173.24 174.02 3gqa s GLN 288 N -3.97 1.04 -0.63 12.44 -2.07 -0.76 -1.89 119.66 123.82 3gqa s GLN 288 Ca 0.17 -0.92 -0.03 0.00 -1.82 0.00 0.00 55.36 52.77 3gqa s GLN 288 Cb 0.04 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 3gqa s GLN 288 CO 0.00 -0.38 0.63 0.66 -1.32 0.00 0.00 175.29 174.88 3gqa n TYR 289 N -0.18 -2.88 -4.35 9.60 0.53 -0.65 -2.66 117.16 116.59 3gqa n TYR 289 Ca -0.13 1.11 -0.20 0.00 -1.02 0.00 0.00 57.90 57.66 3gqa n TYR 289 Cb 0.63 -3.93 -0.16 0.00 -1.03 0.00 0.00 39.34 34.85 3gqa n TYR 289 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3gqa s ILE 290 N -2.90 0.73 -0.14 -0.72 1.01 -0.97 -1.23 121.20 116.98 3gqa s ILE 290 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3gqa s ILE 290 Cb -0.01 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.80 3gqa s ILE 290 CO 0.70 0.24 -0.20 0.20 0.00 0.00 0.00 174.94 175.88 3gqa s ASN 291 N 0.27 3.31 -0.25 3.58 0.01 -0.69 -1.06 114.94 120.10 3gqa s ASN 291 Ca -0.04 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 3gqa s ASN 291 Cb -0.09 -1.49 0.04 0.00 0.41 0.00 0.00 41.25 40.12 3gqa s ASN 291 CO 0.00 0.09 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.97 3gqa s ILE 292 N 0.79 2.60 -0.05 0.60 1.01 0.29 -1.18 121.20 125.26 3gqa s ILE 292 Ca -0.07 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.34 3gqa s ILE 292 Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3gqa s ILE 292 CO -0.01 0.11 -0.11 -0.76 0.00 0.00 0.00 174.94 174.18 3gqa s LEU 293 N 1.24 1.67 -1.38 2.97 1.43 -0.14 -1.19 118.68 123.27 3gqa s LEU 293 Ca -0.03 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3gqa s LEU 293 Cb -0.18 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.36 3gqa s LEU 293 CO -0.05 0.04 0.39 0.59 0.23 0.00 0.00 176.35 177.56 3gqa n ASN 294 N 3.62 -4.82 -4.98 2.29 3.02 -0.65 -1.87 115.26 111.87 3gqa n ASN 294 Ca -0.21 -0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 53.93 3gqa n ASN 294 Cb 0.52 -3.97 -0.01 0.00 -0.61 0.00 0.00 39.78 35.72 3gqa n ASN 294 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqa s TYR 296 N -2.18 1.18 -0.19 0.00 5.04 -0.02 -1.11 117.35 120.07 3gqa s TYR 296 Ca 0.44 -0.76 -0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3gqa s TYR 296 Cb -0.09 -1.07 0.01 0.00 0.35 0.00 0.00 41.96 41.15 3gqa s TYR 296 CO 0.31 -0.54 -0.16 -1.12 -1.34 0.00 0.00 175.55 172.71 3gqa s SER 297 N 1.81 3.47 0.06 4.32 0.01 -0.73 -1.00 113.70 121.64 3gqa s SER 297 Ca 0.01 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 3gqa s SER 297 Cb -0.15 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.54 3gqa s SER 297 CO -0.07 0.01 0.27 -1.38 0.41 0.00 0.00 173.24 172.47 3gqa s HIS 298 N 1.27 -0.02 -0.60 2.43 -3.43 -0.44 -2.00 115.29 112.50 3gqa s HIS 298 Ca 0.04 -0.21 -0.15 0.00 -0.80 0.00 0.00 55.06 53.93 3gqa s HIS 298 Cb -0.14 0.05 0.02 0.00 -1.43 0.00 0.00 32.58 31.09 3gqa s HIS 298 CO -0.09 -0.52 0.64 -0.25 -2.00 0.00 0.00 174.74 172.53 3gqa n ASP 299 N 0.37 -6.53 -4.74 7.38 8.00 -0.42 -3.64 116.55 116.97 3gqa n ASP 299 Ca -0.18 -0.14 -0.34 0.00 0.71 0.00 0.00 54.79 54.84 3gqa n ASP 299 Cb 0.60 -3.49 0.07 0.00 -0.02 0.00 0.00 41.12 38.28 3gqa n ASP 299 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3gqa s PRO 300 N -3.20 2.52 0.13 -0.24 0.04 -1.26 -1.57 135.00 131.42 3gqa s PRO 300 Ca 0.17 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 3gqa s PRO 300 Cb -0.03 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3gqa s PRO 300 CO 0.82 -1.52 1.44 0.00 0.04 0.00 0.00 177.00 177.79 3gqa h ARG 301 N 0.04 0.87 0.00 4.56 3.08 -0.98 -3.45 114.38 118.50 3gqa h ARG 301 Ca -0.48 -0.48 -0.46 0.00 0.07 0.00 0.00 59.98 58.63 3gqa h ARG 301 Cb 1.28 0.03 0.03 0.00 0.08 0.00 0.00 29.97 31.39 3gqa h ARG 301 CO 0.52 1.13 -0.05 1.28 -1.07 0.00 0.00 179.97 181.78 3gqa n LEU 302 N -4.10 0.00 -0.20 3.04 4.77 -1.24 -5.01 117.00 114.26 3gqa n LEU 302 Ca -0.03 -2.36 0.03 0.00 -0.03 0.00 0.00 56.01 53.61 3gqa n LEU 302 Cb 0.55 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3gqa n LEU 302 CO 0.48 -0.73 0.38 0.41 -1.33 0.00 0.00 177.39 176.61 3gqa n THR 303 N -2.26 0.72 0.00 -5.08 -1.04 -1.26 -4.87 114.28 100.48 3gqa n THR 303 Ca 0.16 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 3gqa n THR 303 Cb 0.57 0.38 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 3gqa n THR 303 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gqa n ALA 304 N -0.50 0.00 -1.67 2.41 0.00 -1.26 -1.72 120.51 117.76 3gqa n ALA 304 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 3gqa n ALA 304 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3gqa n ALA 304 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gqa n ASN 305 N 0.00 7.25 -4.37 0.00 5.15 -1.26 -3.97 115.26 118.06 3gqa n ASN 305 Ca 0.00 -2.82 -0.44 0.00 -0.60 0.00 0.00 54.58 50.71 3gqa n ASN 305 Cb 0.00 -1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 37.66 3gqa n ASN 305 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gqa s ASN 307 N 2.76 4.43 0.04 0.00 0.01 -1.19 -1.01 114.94 119.99 3gqa s ASN 307 Ca 0.04 -0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 51.57 3gqa s ASN 307 Cb -0.25 -0.87 -0.17 0.00 0.41 0.00 0.00 41.25 40.36 3gqa s ASN 307 CO 0.06 0.19 1.46 1.23 -1.51 0.00 0.00 177.10 178.53 3gqa h GLY 308 N 3.72 -0.46 -6.75 0.66 0.00 -1.14 -1.71 103.07 97.39 3gqa h GLY 308 Ca -0.49 0.17 -0.54 0.00 0.00 0.00 0.00 47.33 46.47 3gqa h GLY 308 CO 0.53 -0.17 -0.80 -1.36 0.00 0.00 0.00 176.54 174.73 3gqa s PHE 309 N -5.39 1.62 -0.28 5.60 0.40 -0.70 -1.74 117.98 117.49 3gqa s PHE 309 Ca -0.15 -0.90 0.03 0.00 -0.60 0.00 0.00 56.93 55.31 3gqa s PHE 309 Cb 0.03 -1.29 0.07 0.00 0.51 0.00 0.00 43.02 42.34 3gqa s PHE 309 CO 0.60 -0.56 -0.07 -2.00 0.70 0.00 0.00 175.22 173.89 3gqa s GLU 310 N 1.66 2.12 -0.65 0.44 2.12 -0.25 -0.67 118.70 123.49 3gqa s GLU 310 Ca 0.04 -1.44 -0.18 0.00 0.36 0.00 0.00 54.97 53.75 3gqa s GLU 310 Cb -0.13 -2.98 0.12 0.00 0.26 0.00 0.00 34.13 31.40 3gqa s GLU 310 CO -0.08 -0.64 0.73 0.42 -0.54 0.00 0.00 175.26 175.14 3gqa s ILE 311 N 1.08 4.94 0.13 -3.70 -1.09 0.68 -1.68 121.20 121.57 3gqa s ILE 311 Ca -0.05 -1.27 0.01 0.00 -2.23 0.00 0.00 60.65 57.10 3gqa s ILE 311 Cb -0.20 -4.50 0.01 0.00 -1.58 0.00 0.00 42.46 36.19 3gqa s ILE 311 CO -0.05 -1.13 0.07 -0.67 -1.23 0.00 0.00 174.94 171.93 3gqa n ASP 312 N 5.97 1.74 -0.62 3.58 2.03 -0.57 -1.20 116.55 127.47 3gqa n ASP 312 Ca -0.04 -1.50 -0.09 0.00 0.52 0.00 0.00 54.79 53.68 3gqa n ASP 312 Cb 0.43 0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 3gqa n ASP 312 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gqa n ASP 313 N -1.67 0.14 0.00 1.67 8.00 -1.20 -1.42 116.55 122.08 3gqa n ASP 313 Ca -0.02 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3gqa n ASP 313 Cb 0.16 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3gqa n ASP 313 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqa n GLY 314 N 0.68 1.04 3.77 0.44 0.00 -0.12 -0.48 105.19 110.51 3gqa n GLY 314 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3gqa n GLY 314 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqa s SER 315 N -3.04 5.15 -0.04 1.61 0.01 -0.50 -3.32 113.70 113.56 3gqa s SER 315 Ca 0.00 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.06 3gqa s SER 315 Cb 0.00 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.76 3gqa s SER 315 CO 0.00 -1.60 0.81 0.00 0.41 0.00 0.00 173.24 172.86 3gqa s ARG 316 N -3.86 0.90 -0.89 12.44 3.03 -0.79 -2.10 118.95 127.68 3gqa s ARG 316 Ca 0.69 -0.00 -0.05 0.00 2.03 0.00 0.00 55.73 58.41 3gqa s ARG 316 Cb -0.23 0.42 -0.05 0.00 -1.03 0.00 0.00 34.95 34.06 3gqa s ARG 316 CO 0.38 -0.32 0.78 0.72 -1.13 0.00 0.00 175.30 175.73 3gqa n HIS 317 N 0.42 -2.22 -4.94 5.89 8.25 -0.91 -3.35 115.22 118.35 3gqa n HIS 317 Ca -0.14 0.79 -0.27 0.00 -0.26 0.00 0.00 57.72 57.84 3gqa n HIS 317 Cb 0.59 -3.91 -0.16 0.00 1.12 0.00 0.00 29.99 27.63 3gqa n HIS 317 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gqa s VAL 318 N -3.30 1.55 -0.14 1.59 1.01 -1.18 -1.63 120.40 118.30 3gqa s VAL 318 Ca 0.35 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3gqa s VAL 318 Cb -0.05 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3gqa s VAL 318 CO 0.65 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 175.33 3gqa s VAL 319 N -0.29 2.56 -0.13 2.92 1.01 -0.22 -0.74 120.40 125.51 3gqa s VAL 319 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3gqa s VAL 319 Cb -0.09 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gqa s VAL 319 CO 0.00 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 3gqa s LEU 320 N 0.61 3.11 -0.10 3.92 1.02 0.01 -0.55 118.68 126.71 3gqa s LEU 320 Ca -0.10 -0.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.85 3gqa s LEU 320 Cb -0.16 -1.72 0.04 0.00 0.02 0.00 0.00 46.19 44.37 3gqa s LEU 320 CO 0.03 0.22 0.23 -0.55 0.02 0.00 0.00 176.35 176.30 3gqa s SER 321 N 0.08 -0.25 -1.58 2.29 0.15 -0.33 -0.09 113.70 113.97 3gqa s SER 321 Ca -0.02 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 3gqa s SER 321 Cb -0.14 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3gqa s SER 321 CO 0.03 -0.13 0.07 0.59 1.20 0.00 0.00 173.24 175.00 3gqa n ASN 322 N 3.79 -5.41 -4.94 5.45 3.02 -0.35 -1.63 115.26 115.18 3gqa n ASN 322 Ca -0.21 -0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.09 3gqa n ASN 322 Cb 0.55 -4.50 0.05 0.00 -0.61 0.00 0.00 39.78 35.26 3gqa n ASN 322 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3gqa s ASN 323 N -2.12 5.21 -0.01 6.41 0.01 -1.26 -3.41 114.94 119.76 3gqa s ASN 323 Ca 0.04 0.38 0.03 0.00 -0.71 0.00 0.00 52.86 52.61 3gqa s ASN 323 Cb -0.02 -1.23 -0.01 0.00 0.41 0.00 0.00 41.25 40.41 3gqa s ASN 323 CO 0.05 -1.28 -0.11 -0.60 -1.51 0.00 0.00 177.10 173.65 3gqa s ARG 324 N -5.00 0.89 0.12 -0.60 3.52 -0.27 -2.24 118.95 115.37 3gqa s ARG 324 Ca 0.57 -0.39 0.11 0.00 -0.13 0.00 0.00 55.73 55.89 3gqa s ARG 324 Cb -0.11 -0.86 -0.04 0.00 -1.56 0.00 0.00 34.95 32.39 3gqa s ARG 324 CO 0.43 0.23 -0.27 -1.54 -0.81 0.00 0.00 175.30 173.34 3gqa s SER 325 N -0.26 3.27 -0.09 -2.12 1.04 -0.78 -1.77 113.70 112.99 3gqa s SER 325 Ca 0.04 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 3gqa s SER 325 Cb -0.04 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.89 3gqa s SER 325 CO -0.00 0.18 0.22 -0.75 0.98 0.00 0.00 173.24 173.86 3gqa s LYS 326 N -2.00 0.20 -1.04 4.02 2.20 -0.85 -0.83 119.74 121.45 3gqa s LYS 326 Ca 0.13 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 3gqa s LYS 326 Cb -0.10 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3gqa s LYS 326 CO 0.06 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 3gqa n GLY 327 N 3.83 0.02 3.93 5.54 0.00 -0.74 -1.30 105.19 116.47 3gqa n GLY 327 Ca -0.22 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3gqa n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqa n TYR 329 N -1.87 0.00 -3.52 0.00 9.36 -0.18 -1.72 117.16 119.22 3gqa n TYR 329 Ca 0.03 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.88 3gqa n TYR 329 Cb 0.63 -0.46 -0.06 0.00 -0.63 0.00 0.00 39.34 38.82 3gqa n TYR 329 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3gqa s GLY 330 N -1.65 2.39 -0.01 2.98 0.00 -1.26 -0.80 107.32 108.98 3gqa s GLY 330 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3gqa s GLY 330 CO 0.00 0.22 0.39 -1.33 0.00 0.00 0.00 173.10 172.38 3gqa h GLY 331 N 5.32 -0.09 -6.51 0.20 0.00 -0.87 -0.57 103.07 100.55 3gqa h GLY 331 Ca -0.49 0.03 -0.67 0.00 0.00 0.00 0.00 47.33 46.21 3gqa h GLY 331 CO 0.65 -0.03 -0.80 -0.42 0.00 0.00 0.00 176.54 175.94 3gqa s ILE 332 N -1.97 2.57 -0.15 2.60 1.01 -0.35 -1.73 121.20 123.18 3gqa s ILE 332 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 3gqa s ILE 332 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3gqa s ILE 332 CO 0.04 0.43 0.03 -0.70 0.00 0.00 0.00 174.94 174.74 3gqa s GLU 333 N 1.34 3.63 -0.18 2.79 2.12 0.16 -1.84 118.70 126.72 3gqa s GLU 333 Ca 0.04 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.99 3gqa s GLU 333 Cb -0.14 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.25 3gqa s GLU 333 CO -0.09 0.40 -0.13 0.42 -0.54 0.00 0.00 175.26 175.33 3gqa s ILE 334 N -0.03 1.68 0.06 -3.70 1.01 -0.83 -0.23 121.20 119.16 3gqa s ILE 334 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3gqa s ILE 334 Cb -0.12 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.72 3gqa s ILE 334 CO 0.02 0.34 0.24 2.29 0.00 0.00 0.00 174.94 177.83 3gqa n LYS 335 N 4.71 0.20 -3.88 2.79 2.85 -0.34 -1.31 118.16 123.17 3gqa n LYS 335 Ca -0.16 -0.43 -0.10 0.00 -1.05 0.00 0.00 58.31 56.56 3gqa n LYS 335 Cb 0.48 0.57 -0.09 0.00 -0.65 0.00 0.00 35.03 35.35 3gqa n LYS 335 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gqa s ALA 336 N -1.27 -0.22 0.95 0.58 0.00 -1.20 -2.36 121.76 118.25 3gqa s ALA 336 Ca 0.05 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 3gqa s ALA 336 Cb -0.01 0.28 0.16 0.00 0.00 0.00 0.00 23.12 23.55 3gqa s ALA 336 CO 0.02 -0.35 1.09 -1.01 0.00 0.00 0.00 175.76 175.51 3gqa s HIS 337 N -2.65 2.07 0.67 0.00 3.76 -1.26 -1.89 115.29 116.00 3gqa s HIS 337 Ca -0.05 1.26 -0.17 0.00 -0.15 0.00 0.00 55.06 55.95 3gqa s HIS 337 Cb -0.01 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 3gqa s HIS 337 CO -0.04 -2.74 1.23 0.20 -0.85 0.00 0.00 174.74 172.54 3gqa s GLY 338 N -3.22 2.59 -0.59 -2.22 0.00 -1.20 -2.82 107.32 99.87 3gqa s GLY 338 Ca 0.65 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.37 3gqa s GLY 338 CO 0.58 1.41 0.00 1.22 0.00 0.00 0.00 173.10 176.32 3gqa n ASP 339 N -2.19 -4.41 -4.15 1.64 8.00 -1.26 -4.99 116.55 109.20 3gqa n ASP 339 Ca 0.14 0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 3gqa n ASP 339 Cb 0.49 -2.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.09 3gqa n ASP 339 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqa s ALA 340 N -1.96 0.93 0.19 2.24 0.00 -1.13 -0.42 121.76 121.62 3gqa s ALA 340 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3gqa s ALA 340 Cb 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 3gqa s ALA 340 CO 0.00 -0.11 1.00 -1.25 0.00 0.00 0.00 175.76 175.40 3gqa s PRO 341 N -2.93 4.72 0.67 0.00 0.04 -1.23 -4.28 135.00 131.99 3gqa s PRO 341 Ca 0.04 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 3gqa s PRO 341 Cb -0.01 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.24 3gqa s PRO 341 CO -0.02 0.29 1.17 0.00 0.04 0.00 0.00 177.00 178.48 3gqa s ALA 342 N -0.62 2.35 0.36 8.56 0.00 -1.26 -0.95 121.76 130.20 3gqa s ALA 342 Ca 0.45 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 3gqa s ALA 342 Cb -0.27 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 3gqa s ALA 342 CO 0.33 -1.48 1.46 0.00 0.00 0.00 0.00 175.76 176.08 3gqa n ALA 343 N -2.30 2.17 -2.66 0.00 0.00 -0.99 -4.45 120.51 112.29 3gqa n ALA 343 Ca 0.12 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 3gqa n ALA 343 Cb 0.51 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 3gqa n ALA 343 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3gqa s TYR 344 N -1.00 0.77 -0.93 0.00 1.13 -0.89 -4.39 117.35 112.03 3gqa s TYR 344 Ca 0.55 -0.61 -0.05 0.00 -1.41 0.00 0.00 57.07 55.54 3gqa s TYR 344 Cb -0.50 -0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 39.88 3gqa s TYR 344 CO 0.62 -0.09 0.80 -1.71 -2.51 0.00 0.00 175.55 172.66 3gqa n ASN 345 N 1.02 -6.86 -4.41 -0.18 5.15 -0.76 -2.42 115.26 106.80 3gqa n ASN 345 Ca -0.20 -0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 52.95 3gqa n ASN 345 Cb 0.56 -4.86 -0.14 0.00 -0.53 0.00 0.00 39.78 34.81 3gqa n ASN 345 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gqa s ILE 346 N -3.23 2.81 -0.12 -1.44 -1.09 -0.84 -2.15 121.20 115.14 3gqa s ILE 346 Ca 0.26 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 3gqa s ILE 346 Cb -0.05 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.74 3gqa s ILE 346 CO 0.77 0.57 -0.21 -0.55 -1.23 0.00 0.00 174.94 174.29 3gqa s SER 347 N -0.42 3.27 -0.34 3.58 0.15 0.08 -1.77 113.70 118.25 3gqa s SER 347 Ca 0.04 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 3gqa s SER 347 Cb -0.12 -1.46 0.06 0.00 -1.71 0.00 0.00 66.02 62.79 3gqa s SER 347 CO 0.02 0.12 0.10 -0.63 1.20 0.00 0.00 173.24 174.05 3gqa s ILE 348 N 0.56 3.41 -1.02 6.45 1.01 -0.04 -0.81 121.20 130.75 3gqa s ILE 348 Ca -0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 60.65 59.06 3gqa s ILE 348 Cb -0.17 -3.04 0.30 0.00 0.01 0.00 0.00 42.46 39.57 3gqa s ILE 348 CO 0.04 -0.28 1.42 -3.20 0.00 0.00 0.00 174.94 172.91 3gqa n ASN 349 N 4.70 6.17 0.00 3.58 5.15 0.87 -0.71 115.26 135.02 3gqa n ASN 349 Ca -0.10 -3.44 0.00 0.00 -0.60 0.00 0.00 54.58 50.44 3gqa n ASN 349 Cb 0.43 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 3gqa n ASN 349 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gqa n GLY 350 N 1.16 -0.96 3.35 8.20 0.00 -0.13 -3.35 105.19 113.45 3gqa n GLY 350 Ca 0.28 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3gqa n GLY 350 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqa s HIS 351 N -0.56 -0.34 -0.17 1.61 2.46 -1.13 -1.22 115.29 115.94 3gqa s HIS 351 Ca 0.00 0.46 0.01 0.00 0.47 0.00 0.00 55.06 56.01 3gqa s HIS 351 Cb 0.00 0.24 0.02 0.00 -0.13 0.00 0.00 32.58 32.70 3gqa s HIS 351 CO 0.00 -0.53 -0.20 1.41 -2.47 0.00 0.00 174.74 172.94 3gqa s MET 352 N -1.84 2.98 -0.21 2.88 1.75 -0.95 -1.02 119.30 122.89 3gqa s MET 352 Ca -0.09 -0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 53.49 3gqa s MET 352 Cb -0.02 -2.51 -0.01 0.00 2.84 0.00 0.00 34.83 35.13 3gqa s MET 352 CO 0.02 -0.15 -0.06 0.45 -0.65 0.00 0.00 175.02 174.64 3gqa s SER 353 N 1.14 4.20 -0.27 1.11 0.15 0.30 -1.87 113.70 118.46 3gqa s SER 353 Ca 0.01 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 3gqa s SER 353 Cb -0.14 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.48 3gqa s SER 353 CO -0.09 -0.00 0.01 -0.69 1.20 0.00 0.00 173.24 173.66 3gqa s VAL 354 N 1.37 3.41 -1.56 4.45 1.01 -0.01 -0.61 120.40 128.45 3gqa s VAL 354 Ca 0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3gqa s VAL 354 Cb -0.14 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.58 3gqa s VAL 354 CO -0.03 0.12 0.95 -0.62 0.00 0.00 0.00 175.10 175.53 3gqa n GLU 355 N 4.76 -5.18 -2.22 2.72 1.02 0.17 -1.79 120.64 120.12 3gqa n GLU 355 Ca -0.15 0.56 -0.26 0.00 -0.02 0.00 0.00 57.16 57.29 3gqa n GLU 355 Cb 0.47 -5.43 0.07 0.00 -0.02 0.00 0.00 31.44 26.54 3gqa n GLU 355 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gqa s ASP 356 N -3.32 4.76 -0.13 1.62 1.01 -1.26 -3.02 116.67 116.34 3gqa s ASP 356 Ca 0.67 0.40 -0.20 0.00 0.71 0.00 0.00 52.55 54.13 3gqa s ASP 356 Cb -0.34 -1.03 -0.18 0.00 1.01 0.00 0.00 42.92 42.38 3gqa s ASP 356 CO 0.85 -1.63 0.52 0.58 0.21 0.00 0.00 175.17 175.70 3gqa h VAL 357 N -0.60 1.23 -3.43 -1.27 2.07 -0.28 -2.20 116.25 111.76 3gqa h VAL 357 Ca -0.44 -1.93 -0.62 0.00 0.82 0.00 0.00 66.70 64.53 3gqa h VAL 357 Cb 1.31 2.33 -0.40 0.00 -1.52 0.00 0.00 31.29 33.01 3gqa h VAL 357 CO 0.59 0.42 -0.73 -0.13 0.02 0.00 0.00 177.57 177.73 3gqa s ARG 358 N -2.02 1.15 0.15 1.57 0.52 0.02 -0.44 118.95 119.90 3gqa s ARG 358 Ca -0.13 -1.55 -0.17 0.00 -0.52 0.00 0.00 55.73 53.36 3gqa s ARG 358 Cb -0.02 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.87 3gqa s ARG 358 CO 0.48 -0.97 1.71 0.77 0.02 0.00 0.00 175.30 177.31 3gqa h SER 359 N 7.77 -0.10 -3.15 0.23 0.02 -1.43 -2.42 113.55 114.47 3gqa h SER 359 Ca -0.08 0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 3gqa h SER 359 Cb 1.01 0.12 -0.36 0.00 0.14 0.00 0.00 62.40 63.31 3gqa h SER 359 CO 0.50 -0.02 -0.82 -0.31 -1.14 0.00 0.00 176.83 175.05 3gqa s TYR 360 N -6.18 1.86 -0.27 3.45 1.51 -1.09 -1.21 117.35 115.41 3gqa s TYR 360 Ca -0.13 -1.01 -0.03 0.00 -1.01 0.00 0.00 57.07 54.89 3gqa s TYR 360 Cb 0.13 -1.43 0.09 0.00 -0.11 0.00 0.00 41.96 40.63 3gqa s TYR 360 CO 0.70 -0.60 0.10 1.21 -1.11 0.00 0.00 175.55 175.86 3gqa s ASN 361 N 1.59 3.49 -0.16 2.29 3.04 -0.77 -1.00 114.94 123.42 3gqa s ASN 361 Ca 0.05 -1.27 -0.02 0.00 0.04 0.00 0.00 52.86 51.66 3gqa s ASN 361 Cb -0.13 -0.53 -0.02 0.00 -1.54 0.00 0.00 41.25 39.04 3gqa s ASN 361 CO -0.10 -0.41 -0.08 -0.36 -3.04 0.00 0.00 177.10 173.12 3gqa s PHE 362 N 1.93 2.92 0.16 0.43 2.99 -0.34 -1.96 117.98 124.10 3gqa s PHE 362 Ca 0.07 -0.60 -0.24 0.00 0.00 0.00 0.00 56.93 56.16 3gqa s PHE 362 Cb -0.17 -1.95 0.06 0.00 0.00 0.00 0.00 43.02 40.97 3gqa s PHE 362 CO -0.27 -0.24 0.82 -0.98 -0.00 0.00 0.00 175.22 174.55 3gqa s ARG 363 N 0.64 1.30 -0.29 0.44 1.70 -0.43 -1.00 118.95 121.31 3gqa s ARG 363 Ca -0.04 -0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 54.55 3gqa s ARG 363 Cb -0.15 0.49 0.12 0.00 -0.57 0.00 0.00 34.95 34.84 3gqa s ARG 363 CO 0.02 -0.59 0.21 -1.58 -1.08 0.00 0.00 175.30 172.29 3gqa s HIS 364 N -3.51 -0.06 0.27 5.89 2.46 -1.26 -3.20 115.29 115.88 3gqa s HIS 364 Ca 0.08 -0.54 -0.30 0.00 0.47 0.00 0.00 55.06 54.77 3gqa s HIS 364 Cb -0.02 -0.69 -0.12 0.00 -0.13 0.00 0.00 32.58 31.62 3gqa s HIS 364 CO -0.01 -0.88 1.63 -0.89 -2.47 0.00 0.00 174.74 172.12 3gqa n ILE 365 N 5.27 0.79 -0.20 0.89 5.41 -0.79 -1.70 119.36 129.02 3gqa n ILE 365 Ca -0.04 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3gqa n ILE 365 Cb 0.44 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3gqa n ILE 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gqa n GLY 366 N 2.58 0.62 1.78 7.39 0.00 -1.26 -3.21 105.19 113.09 3gqa n GLY 366 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 3gqa n GLY 366 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gqa n HIS 367 N -2.00 0.51 -0.06 1.61 8.25 -0.69 -4.57 115.22 118.28 3gqa n HIS 367 Ca 0.00 -1.18 -0.07 0.00 -0.26 0.00 0.00 57.72 56.21 3gqa n HIS 367 Cb 0.00 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 3gqa n HIS 367 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gqa n HIS 368 N -0.08 0.00 -1.92 4.41 8.25 -1.26 -4.52 115.22 120.10 3gqa n HIS 368 Ca 0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 3gqa n HIS 368 Cb 0.99 -0.50 0.03 0.00 1.12 0.00 0.00 29.99 31.62 3gqa n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gqa s ALA 369 N -2.26 2.80 0.56 -1.41 0.00 -1.26 -4.12 121.76 116.06 3gqa s ALA 369 Ca -0.13 1.20 0.25 0.00 0.00 0.00 0.00 51.96 53.28 3gqa s ALA 369 Cb 0.04 -3.51 1.49 0.00 0.00 0.00 0.00 23.12 21.14 3gqa s ALA 369 CO 0.35 -1.19 2.06 0.00 0.00 0.00 0.00 175.76 176.98 3gqa h ALA 370 N 1.48 2.10 -0.52 0.00 0.00 -1.95 -2.48 119.26 117.89 3gqa h ALA 370 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gqa h ALA 370 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gqa h ALA 370 CO 0.57 -0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3gqa n THR 371 N -4.13 0.93 -2.83 0.00 -2.24 -1.26 -4.94 114.28 99.82 3gqa n THR 371 Ca 0.04 -0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 60.60 3gqa n THR 371 Cb 0.40 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3gqa n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqa s ALA 372 N -1.03 3.52 0.41 6.98 0.00 -0.93 -5.08 121.76 125.62 3gqa s ALA 372 Ca 0.36 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 3gqa s ALA 372 Cb 0.19 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 3gqa s ALA 372 CO 0.25 -0.36 1.19 -1.25 0.00 0.00 0.00 175.76 175.59 3gqa s PRO 373 N -4.65 4.01 0.33 0.00 0.04 -1.26 -4.94 135.00 128.53 3gqa s PRO 373 Ca 0.47 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 3gqa s PRO 373 Cb -0.10 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 3gqa s PRO 373 CO 0.42 -0.36 1.52 -1.14 0.04 0.00 0.00 177.00 177.47 3gqa s GLN 374 N -2.32 4.14 0.18 4.56 2.00 -1.26 -4.63 119.66 122.33 3gqa s GLN 374 Ca 0.58 2.53 -0.33 0.00 -2.00 0.00 0.00 55.36 56.14 3gqa s GLN 374 Cb -0.31 -3.01 -0.14 0.00 0.80 0.00 0.00 33.01 30.34 3gqa s GLN 374 CO 0.40 -0.55 1.47 0.45 -0.50 0.00 0.00 175.29 176.56 3gqa n SER 375 N 1.38 2.73 -0.48 6.67 2.88 -1.26 -4.89 113.62 120.64 3gqa n SER 375 Ca 0.04 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 3gqa n SER 375 Cb 0.39 -1.39 0.32 0.00 -0.75 0.00 0.00 64.21 62.78 3gqa n SER 375 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3gqa n VAL 376 N 2.69 0.00 -0.01 2.46 0.24 -1.26 -4.45 118.33 117.99 3gqa n VAL 376 Ca 0.15 -0.25 -0.01 0.00 -2.04 0.00 0.00 64.34 62.20 3gqa n VAL 376 Cb 0.28 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 3gqa n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gqa n SER 377 N 0.05 4.12 -4.56 -1.34 3.41 -1.26 -4.87 113.62 109.16 3gqa n SER 377 Ca 0.14 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.44 3gqa n SER 377 Cb 0.41 0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 65.08 3gqa n SER 377 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqa s ALA 378 N -2.14 2.05 -0.01 7.33 0.00 -1.26 -4.52 121.76 123.21 3gqa s ALA 378 Ca -0.02 -1.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.01 3gqa s ALA 378 Cb 0.01 -4.56 0.01 0.00 0.00 0.00 0.00 23.12 18.58 3gqa s ALA 378 CO 0.15 -4.43 0.20 0.15 0.00 0.00 0.00 175.76 171.83 3gqa s LYS 379 N 6.25 0.53 -0.20 0.00 1.02 -1.26 -0.78 119.74 125.30 3gqa s LYS 379 Ca 0.62 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 56.32 3gqa s LYS 379 Cb -0.04 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.51 3gqa s LYS 379 CO -0.02 -0.13 0.04 0.09 -0.92 0.00 0.00 175.35 174.41 3gqa n ASN 380 N 1.52 -5.14 -3.95 2.83 4.13 -0.38 -2.01 115.26 112.26 3gqa n ASN 380 Ca -0.21 1.03 -0.24 0.00 1.68 0.00 0.00 54.58 56.83 3gqa n ASN 380 Cb 0.56 -4.13 -0.17 0.00 -1.54 0.00 0.00 39.78 34.51 3gqa n ASN 380 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gqa s ILE 381 N -1.03 0.95 -0.19 2.41 1.01 -0.58 -1.83 121.20 121.95 3gqa s ILE 381 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3gqa s ILE 381 Cb 0.00 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.56 3gqa s ILE 381 CO 0.57 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.98 3gqa s VAL 382 N 1.12 2.27 -0.05 2.92 1.01 -0.73 -0.86 120.40 126.07 3gqa s VAL 382 Ca -0.07 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3gqa s VAL 382 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3gqa s VAL 382 CO -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.54 3gqa s ALA 383 N 1.32 0.78 0.05 5.51 0.00 -0.15 -0.87 121.76 128.40 3gqa s ALA 383 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3gqa s ALA 383 Cb -0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3gqa s ALA 383 CO -0.11 0.03 -0.04 -1.12 0.00 0.00 0.00 175.76 174.51 3gqa s SER 384 N 0.81 0.56 -1.27 0.00 0.01 0.11 -1.66 113.70 112.26 3gqa s SER 384 Ca -0.12 -0.80 -0.19 0.00 1.31 0.00 0.00 55.95 56.15 3gqa s SER 384 Cb -0.14 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3gqa s SER 384 CO 0.01 -0.44 0.57 -3.20 0.41 0.00 0.00 173.24 170.59 3gqa n ASN 385 N 0.70 -3.05 -4.72 2.44 2.85 -0.44 -0.96 115.26 112.08 3gqa n ASN 385 Ca -0.18 -1.15 -0.39 0.00 -0.11 0.00 0.00 54.58 52.75 3gqa n ASN 385 Cb 0.58 -2.47 -0.06 0.00 1.24 0.00 0.00 39.78 39.08 3gqa n ASN 385 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3gqa s LEU 386 N -7.05 4.28 -0.11 1.20 1.43 -0.24 -2.86 118.68 115.34 3gqa s LEU 386 Ca 0.32 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 3gqa s LEU 386 Cb -0.15 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3gqa s LEU 386 CO 0.93 -0.05 -0.14 -0.69 0.23 0.00 0.00 176.35 176.62 3gqa s VAL 387 N 0.76 2.96 -0.09 -1.59 1.01 -0.19 -1.47 120.40 121.79 3gqa s VAL 387 Ca 0.29 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3gqa s VAL 387 Cb -0.16 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3gqa s VAL 387 CO 0.12 0.54 -0.09 -0.55 0.00 0.00 0.00 175.10 175.13 3gqa s SER 388 N 0.10 1.93 -0.12 3.32 0.15 -0.51 -0.54 113.70 118.03 3gqa s SER 388 Ca -0.06 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.34 3gqa s SER 388 Cb -0.15 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.38 3gqa s SER 388 CO 0.05 -0.07 -0.22 -0.63 1.20 0.00 0.00 173.24 173.57 3gqa s ILE 389 N 1.32 2.01 -1.35 6.45 1.01 0.22 -1.03 121.20 129.83 3gqa s ILE 389 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3gqa s ILE 389 Cb -0.14 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3gqa s ILE 389 CO -0.04 0.54 0.44 0.54 0.00 0.00 0.00 174.94 176.43 3gqa n ARG 390 N 3.84 -1.68 -2.04 2.79 1.74 0.42 -0.65 116.66 121.08 3gqa n ARG 390 Ca -0.20 0.27 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3gqa n ARG 390 Cb 0.52 -3.79 -0.02 0.00 -1.02 0.00 0.00 32.46 28.15 3gqa n ARG 390 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gqa s PRO 391 N -6.84 4.29 0.20 5.56 0.04 -1.26 -4.00 135.00 133.00 3gqa s PRO 391 Ca 0.19 2.29 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 3gqa s PRO 391 Cb -0.09 -3.07 0.05 0.00 0.04 0.00 0.00 34.50 31.43 3gqa s PRO 391 CO 0.93 -0.31 0.78 0.54 0.04 0.00 0.00 177.00 178.98 3gqa s ASN 392 N -0.16 -0.29 -0.36 6.66 2.20 -0.83 -4.34 114.94 117.82 3gqa s ASN 392 Ca 0.53 -0.41 0.11 0.00 -0.94 0.00 0.00 52.86 52.15 3gqa s ASN 392 Cb -0.41 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 39.90 3gqa s ASN 392 CO 0.51 -1.11 1.07 -3.20 -2.94 0.00 0.00 177.10 171.43 3gqa n ASN 393 N -0.43 3.33 -0.05 3.54 2.85 -1.26 -3.55 115.26 119.68 3gqa n ASN 393 Ca -0.07 -3.22 0.15 0.00 -0.11 0.00 0.00 54.58 51.33 3gqa n ASN 393 Cb 0.61 -0.47 0.58 0.00 1.24 0.00 0.00 39.78 41.73 3gqa n ASN 393 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3gqa h LYS 394 N 2.68 0.23 0.00 1.20 1.57 -1.96 -2.30 116.57 117.98 3gqa h LYS 394 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gqa h LYS 394 Cb 1.12 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gqa h LYS 394 CO 0.66 0.15 -0.20 0.54 -0.57 0.00 0.00 179.45 180.03 3gqa n ARG 395 N -4.44 0.16 -1.73 3.15 1.74 -1.26 -4.95 116.66 109.32 3gqa n ARG 395 Ca 0.10 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 3gqa n ARG 395 Cb 0.48 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3gqa n ARG 395 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqa n GLY 396 N 1.40 0.37 3.71 -0.13 0.00 -0.87 -5.02 105.19 104.64 3gqa n GLY 396 Ca 0.05 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3gqa n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gqa n PHE 397 N -3.72 1.98 -3.78 1.61 3.01 -1.26 -3.46 117.46 111.84 3gqa n PHE 397 Ca -0.01 0.45 -0.23 0.00 1.01 0.00 0.00 57.45 58.67 3gqa n PHE 397 Cb 0.37 -2.32 0.02 0.00 -0.01 0.00 0.00 39.48 37.53 3gqa n PHE 397 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3gqa n GLN 398 N -0.72 -4.66 -3.75 -1.08 1.13 -0.70 -1.90 117.38 105.70 3gqa n GLN 398 Ca 0.10 0.57 -0.23 0.00 -1.94 0.00 0.00 57.00 55.51 3gqa n GLN 398 Cb 0.44 -5.09 0.03 0.00 0.11 0.00 0.00 30.24 25.72 3gqa n GLN 398 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3gqa n ASP 399 N -3.01 -1.52 -3.78 1.08 8.00 -1.23 -2.16 116.55 113.93 3gqa n ASP 399 Ca -0.26 -0.83 -0.27 0.00 0.71 0.00 0.00 54.79 54.14 3gqa n ASP 399 Cb 0.66 -3.96 0.05 0.00 -0.02 0.00 0.00 41.12 37.85 3gqa n ASP 399 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gqa n ASN 400 N -3.02 -5.46 -4.52 -2.24 3.02 -0.80 -4.95 115.26 97.29 3gqa n ASN 400 Ca -0.26 -0.68 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 3gqa n ASN 400 Cb 0.66 -4.39 0.01 0.00 -0.61 0.00 0.00 39.78 35.45 3gqa n ASN 400 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqa n ALA 401 N -4.83 -0.77 -1.75 5.41 0.00 -0.92 -4.93 120.51 112.72 3gqa n ALA 401 Ca 0.02 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 3gqa n ALA 401 Cb 0.54 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 3gqa n ALA 401 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gqa s THR 402 N -1.43 4.08 0.75 0.00 -4.23 -1.26 -4.82 115.64 108.74 3gqa s THR 402 Ca 0.65 2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 63.09 3gqa s THR 402 Cb -0.56 -4.31 0.05 0.00 1.34 0.00 0.00 72.50 69.03 3gqa s THR 402 CO 0.56 0.47 1.15 -2.84 -0.54 0.00 0.00 174.62 173.43 3gqa s PRO 403 N -1.24 2.13 -0.09 3.99 0.02 -1.26 -4.85 135.00 133.69 3gqa s PRO 403 Ca 0.42 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 62.83 3gqa s PRO 403 Cb -0.25 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.44 3gqa s PRO 403 CO 0.31 -1.79 0.32 1.03 -0.33 0.00 0.00 177.00 176.54 3gqa s ARG 404 N -4.27 0.45 0.03 5.54 1.81 0.42 -4.63 118.95 118.29 3gqa s ARG 404 Ca 0.69 0.29 -0.22 0.00 -1.72 0.00 0.00 55.73 54.77 3gqa s ARG 404 Cb -0.23 0.21 -0.16 0.00 -0.45 0.00 0.00 34.95 34.32 3gqa s ARG 404 CO 0.48 -0.08 1.32 0.28 -0.68 0.00 0.00 175.30 176.63 3gqa h VAL 405 N 4.44 1.36 -3.22 3.52 2.07 -1.35 -2.02 116.25 121.04 3gqa h VAL 405 Ca -0.27 -1.28 -0.20 0.00 0.82 0.00 0.00 66.70 65.77 3gqa h VAL 405 Cb 1.18 1.95 -0.28 0.00 -1.52 0.00 0.00 31.29 32.62 3gqa h VAL 405 CO 0.33 0.37 -0.53 -0.22 0.02 0.00 0.00 177.57 177.54 3gqa s LEU 406 N -9.12 0.94 -0.10 2.57 2.96 -1.11 -2.69 118.68 112.13 3gqa s LEU 406 Ca -0.15 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3gqa s LEU 406 Cb 0.04 0.58 0.03 0.00 0.50 0.00 0.00 46.19 47.34 3gqa s LEU 406 CO 0.74 -0.11 -0.03 0.00 -1.32 0.00 0.00 176.35 175.63 3gqa s ALA 407 N 0.65 0.98 -0.09 5.97 0.00 -0.17 -0.89 121.76 128.21 3gqa s ALA 407 Ca -0.05 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3gqa s ALA 407 Cb -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3gqa s ALA 407 CO -0.03 -0.52 -0.20 0.08 0.00 0.00 0.00 175.76 175.09 3gqa s VAL 408 N 1.85 2.48 0.06 0.00 1.01 0.43 -1.20 120.40 125.04 3gqa s VAL 408 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3gqa s VAL 408 Cb -0.13 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3gqa s VAL 408 CO -0.07 0.56 0.24 -0.94 0.00 0.00 0.00 175.10 174.89 3gqa s SER 409 N 0.07 -0.00 0.00 3.32 1.04 -0.17 -1.62 113.70 116.33 3gqa s SER 409 Ca -0.09 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3gqa s SER 409 Cb -0.15 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3gqa s SER 409 CO 0.05 -0.66 0.00 0.00 0.98 0.00 0.00 173.24 173.62 3gqa n ALA 410 N 0.33 0.00 -1.77 5.32 0.00 0.66 -3.87 120.51 121.18 3gqa n ALA 410 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3gqa n ALA 410 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3gqa n ALA 410 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gqa s TYR 411 N 0.00 3.16 -0.09 0.00 1.51 -1.26 -4.40 117.35 116.27 3gqa s TYR 411 Ca 0.00 1.58 -0.09 0.00 -1.01 0.00 0.00 57.07 57.55 3gqa s TYR 411 Cb 0.00 -3.36 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 3gqa s TYR 411 CO 0.00 -1.15 0.20 -0.47 -1.11 0.00 0.00 175.55 173.03 3gqa s TYR 412 N -1.40 3.63 -0.56 2.71 5.04 0.04 -1.39 117.35 125.42 3gqa s TYR 412 Ca 0.55 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.79 3gqa s TYR 412 Cb -0.30 -2.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 3gqa s TYR 412 CO 0.38 0.71 0.50 0.41 -1.34 0.00 0.00 175.55 176.21 3gqa n GLY 413 N 1.96 -0.35 3.47 8.97 0.00 -0.94 -1.25 105.19 117.05 3gqa n GLY 413 Ca -0.19 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3gqa n GLY 413 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqa s VAL 414 N -3.18 4.15 -0.23 1.61 1.01 -1.20 -1.53 120.40 121.03 3gqa s VAL 414 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3gqa s VAL 414 Cb -0.03 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.49 3gqa s VAL 414 CO 0.42 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 175.11 3gqa s VAL 415 N 1.09 2.35 -0.16 2.92 1.01 -0.04 -1.14 120.40 126.42 3gqa s VAL 415 Ca 0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 3gqa s VAL 415 Cb -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3gqa s VAL 415 CO 0.02 0.23 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 3gqa s ILE 416 N 1.23 3.07 -0.07 2.22 -1.09 0.56 -0.98 121.20 126.15 3gqa s ILE 416 Ca -0.01 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 3gqa s ILE 416 Cb -0.17 -2.32 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 3gqa s ILE 416 CO -0.08 0.50 0.01 0.21 -1.23 0.00 0.00 174.94 174.35 3gqa s ASN 417 N 0.74 1.50 -0.01 3.58 2.47 -0.66 -1.51 114.94 121.04 3gqa s ASN 417 Ca -0.05 -0.07 -0.00 0.00 0.42 0.00 0.00 52.86 53.16 3gqa s ASN 417 Cb -0.15 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.24 3gqa s ASN 417 CO 0.02 -0.19 0.01 0.61 -3.72 0.00 0.00 177.10 173.82 3gqa n GLY 418 N 5.11 -0.73 3.09 1.21 0.00 -0.41 -1.33 105.19 112.13 3gqa n GLY 418 Ca -0.08 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3gqa n GLY 418 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gqa s LEU 419 N -1.02 1.82 -0.15 0.99 2.96 0.50 -1.08 118.68 122.70 3gqa s LEU 419 Ca 0.01 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3gqa s LEU 419 Cb -0.00 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.55 3gqa s LEU 419 CO 0.02 0.04 -0.19 0.28 -1.32 0.00 0.00 176.35 175.18 3gqa s THR 420 N 0.86 1.88 -0.11 3.68 -1.32 -0.54 -0.44 115.64 119.65 3gqa s THR 420 Ca -0.09 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 3gqa s THR 420 Cb -0.15 -1.70 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 3gqa s THR 420 CO 0.00 0.51 -0.12 -0.83 -2.21 0.00 0.00 174.62 171.98 3gqa s GLY 421 N 1.17 1.57 -0.02 6.08 0.00 -0.31 -1.43 107.32 114.38 3gqa s GLY 421 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3gqa s GLY 421 CO -0.08 -0.37 0.01 -0.47 0.00 0.00 0.00 173.10 172.19 3gqa s TYR 422 N -0.04 0.12 0.06 1.90 5.04 -0.20 -1.39 117.35 122.85 3gqa s TYR 422 Ca -0.02 0.05 -0.00 0.00 -2.44 0.00 0.00 57.07 54.66 3gqa s TYR 422 Cb -0.14 -0.22 -0.04 0.00 0.35 0.00 0.00 41.96 41.91 3gqa s TYR 422 CO 0.04 -0.07 -0.04 -0.08 -1.34 0.00 0.00 175.55 174.06 3gqa s THR 423 N 0.69 0.33 -0.15 4.34 -1.32 -0.71 -0.43 115.64 118.40 3gqa s THR 423 Ca -0.06 -1.74 0.02 0.00 -1.21 0.00 0.00 61.69 58.70 3gqa s THR 423 Cb -0.09 -1.42 0.06 0.00 -1.51 0.00 0.00 72.50 69.54 3gqa s THR 423 CO -0.02 -0.91 1.04 -0.90 -2.21 0.00 0.00 174.62 171.63 3gqa n ASP 424 N 0.25 2.16 -3.59 8.08 5.75 -1.26 -4.35 116.55 123.59 3gqa n ASP 424 Ca -0.15 -2.03 -0.29 0.00 -0.01 0.00 0.00 54.79 52.32 3gqa n ASP 424 Cb 0.60 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 40.49 3gqa n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3gqa s ASP 425 N -1.04 3.52 0.50 -1.12 -1.08 -1.26 -5.01 116.67 111.17 3gqa s ASP 425 Ca 0.04 -1.29 0.34 0.00 -0.52 0.00 0.00 52.55 51.12 3gqa s ASP 425 Cb 0.03 -0.45 1.70 0.00 -1.46 0.00 0.00 42.92 42.73 3gqa s ASP 425 CO 0.03 -0.42 2.02 -0.65 0.52 0.00 0.00 175.17 176.66 3gqa h PRO 426 N 8.34 0.00 -0.00 4.34 0.11 -1.91 -2.90 132.00 139.98 3gqa h PRO 426 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3gqa h PRO 426 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gqa h PRO 426 CO 0.43 0.00 -0.26 0.09 -0.21 0.00 0.00 178.00 178.05 3gqa n ASN 427 N -2.75 0.67 0.05 -2.05 3.02 -1.26 -4.03 115.26 108.91 3gqa n ASN 427 Ca -0.01 -0.55 -0.15 0.00 -0.03 0.00 0.00 54.58 53.84 3gqa n ASN 427 Cb 0.13 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 3gqa n ASN 427 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gqa h LEU 428 N 0.65 0.67 -7.68 3.41 3.38 -1.83 -3.43 115.31 110.48 3gqa h LEU 428 Ca 0.00 -0.52 -0.54 0.00 0.09 0.00 0.00 57.88 56.91 3gqa h LEU 428 Cb 0.46 -0.20 -0.37 0.00 0.09 0.00 0.00 40.66 40.64 3gqa h LEU 428 CO 0.00 1.31 -0.80 -0.22 0.09 0.00 0.00 178.44 178.82 3gqa s LEU 429 N -7.92 1.35 0.00 1.67 0.20 -1.26 -4.45 118.68 108.26 3gqa s LEU 429 Ca -0.07 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.32 3gqa s LEU 429 Cb 0.08 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.97 3gqa s LEU 429 CO 0.88 -0.14 0.00 0.41 -0.29 0.00 0.00 176.35 177.21 3gqa n THR 430 N 4.91 0.00 0.00 3.68 -1.04 -1.26 -3.99 114.28 116.58 3gqa n THR 430 Ca -0.12 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3gqa n THR 430 Cb 0.49 0.97 0.00 0.00 -1.82 0.00 0.00 70.33 69.97 3gqa n THR 430 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gqa n GLU 431 N -0.47 0.00 -4.15 -2.82 2.13 -1.26 -2.27 120.64 111.79 3gqa n GLU 431 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 3gqa n GLU 431 Cb 0.00 -0.08 -0.16 0.00 0.27 0.00 0.00 31.44 31.47 3gqa n GLU 431 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3gqa s THR 432 N 0.00 0.49 -0.04 6.31 2.01 -1.26 -1.82 115.64 121.33 3gqa s THR 432 Ca 0.00 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 3gqa s THR 432 Cb 0.00 -0.51 -0.22 0.00 0.01 0.00 0.00 72.50 71.78 3gqa s THR 432 CO 0.00 0.20 1.10 0.58 -0.69 0.00 0.00 174.62 175.81 3gqa h VAL 433 N 6.02 1.51 -3.25 3.82 2.07 -1.14 -3.42 116.25 121.86 3gqa h VAL 433 Ca -0.38 -1.71 -0.51 0.00 0.82 0.00 0.00 66.70 64.92 3gqa h VAL 433 Cb 1.15 2.58 -0.36 0.00 -1.52 0.00 0.00 31.29 33.14 3gqa h VAL 433 CO 0.48 0.46 -0.80 -0.69 0.02 0.00 0.00 177.57 177.04 3gqa s VAL 434 N -3.45 0.97 -0.05 2.57 1.01 0.28 -1.02 120.40 120.71 3gqa s VAL 434 Ca -0.16 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3gqa s VAL 434 Cb 0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3gqa s VAL 434 CO 0.72 0.35 -0.24 -0.94 0.00 0.00 0.00 175.10 174.99 3gqa s SER 435 N 1.46 2.90 -0.32 3.32 1.04 -0.07 -0.63 113.70 121.40 3gqa s SER 435 Ca -0.00 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.97 3gqa s SER 435 Cb -0.13 -0.78 0.10 0.00 0.10 0.00 0.00 66.02 65.30 3gqa s SER 435 CO -0.05 0.23 0.06 -0.69 0.98 0.00 0.00 173.24 173.77 3gqa s VAL 436 N -0.14 1.71 0.22 5.02 1.01 -0.77 -0.43 120.40 127.02 3gqa s VAL 436 Ca -0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.00 3gqa s VAL 436 Cb -0.13 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3gqa s VAL 436 CO 0.03 -0.58 0.34 0.00 0.00 0.00 0.00 175.10 174.89 3gqa n GLN 437 N 4.50 0.50 -3.56 2.72 6.02 -0.64 -1.38 117.38 125.54 3gqa n GLN 437 Ca 0.00 -1.59 -0.21 0.00 -0.01 0.00 0.00 57.00 55.19 3gqa n GLN 437 Cb 0.42 1.64 0.05 0.00 1.02 0.00 0.00 30.24 33.37 3gqa n GLN 437 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3gqa n PHE 438 N -0.34 -2.07 -0.96 1.08 3.01 -1.26 -2.01 117.46 114.91 3gqa n PHE 438 Ca -0.01 0.78 0.00 0.00 1.01 0.00 0.00 57.45 59.23 3gqa n PHE 438 Cb 0.35 -4.24 0.00 0.00 -0.01 0.00 0.00 39.48 35.58 3gqa n PHE 438 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3gqa n ARG 439 N -4.00 -0.10 -1.77 -1.08 1.74 -1.26 -0.25 116.66 109.94 3gqa n ARG 439 Ca -0.21 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 3gqa n ARG 439 Cb 0.65 -2.96 -0.00 0.00 -1.02 0.00 0.00 32.46 29.12 3gqa n ARG 439 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqa n ALA 440 N 1.00 2.40 -2.86 7.54 0.00 -0.85 -4.18 120.51 123.56 3gqa n ALA 440 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 3gqa n ALA 440 Cb 0.03 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 3gqa n ALA 440 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3gqa s ARG 441 N -1.74 0.83 -1.30 0.00 1.70 -0.49 -4.78 118.95 113.18 3gqa s ARG 441 Ca 0.56 -0.67 -0.03 0.00 -0.47 0.00 0.00 55.73 55.12 3gqa s ARG 441 Cb -0.48 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.25 3gqa s ARG 441 CO 0.60 -0.27 0.65 0.09 -1.08 0.00 0.00 175.30 175.29 3gqa n ASN 442 N 0.33 -1.61 -4.71 -2.89 3.02 -0.98 -2.21 115.26 106.22 3gqa n ASN 442 Ca -0.17 -0.88 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 3gqa n ASN 442 Cb 0.61 -3.79 -0.08 0.00 -0.61 0.00 0.00 39.78 35.91 3gqa n ASN 442 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqa s SER 444 N -2.43 0.33 -0.11 0.00 0.15 -0.30 -1.78 113.70 109.56 3gqa s SER 444 Ca 0.27 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.98 3gqa s SER 444 Cb -0.11 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 3gqa s SER 444 CO 0.19 -0.15 -0.20 -0.76 1.20 0.00 0.00 173.24 173.52 3gqa s LEU 445 N 1.29 1.95 -0.06 3.45 1.43 0.59 -0.32 118.68 127.00 3gqa s LEU 445 Ca -0.06 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3gqa s LEU 445 Cb -0.13 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.85 3gqa s LEU 445 CO -0.03 0.09 0.15 0.21 0.23 0.00 0.00 176.35 177.00 3gqa s ASN 446 N 0.68 -0.14 -0.15 2.29 3.84 -0.57 -1.32 114.94 119.57 3gqa s ASN 446 Ca -0.12 0.32 -0.01 0.00 0.21 0.00 0.00 52.86 53.26 3gqa s ASN 446 Cb -0.16 0.25 -0.01 0.00 -0.55 0.00 0.00 41.25 40.78 3gqa s ASN 446 CO 0.03 -0.11 0.13 0.61 -2.79 0.00 0.00 177.10 174.97 3gqa n GLY 447 N 3.73 0.16 3.25 1.21 0.00 -0.94 -1.29 105.19 111.30 3gqa n GLY 447 Ca -0.21 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3gqa n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqa s VAL 448 N -3.04 2.20 -0.20 1.61 1.01 -0.66 -0.37 120.40 120.95 3gqa s VAL 448 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3gqa s VAL 448 Cb -0.01 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.57 3gqa s VAL 448 CO 0.12 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.96 3gqa s VAL 449 N 0.24 1.80 -0.18 2.92 1.01 0.42 -0.96 120.40 125.65 3gqa s VAL 449 Ca -0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 3gqa s VAL 449 Cb -0.17 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3gqa s VAL 449 CO 0.08 0.25 -0.10 -0.76 0.00 0.00 0.00 175.10 174.57 3gqa s LEU 450 N 1.34 2.71 -0.07 3.92 1.43 -0.71 -1.16 118.68 126.14 3gqa s LEU 450 Ca -0.00 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3gqa s LEU 450 Cb -0.16 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3gqa s LEU 450 CO -0.09 0.05 -0.09 -0.89 0.23 0.00 0.00 176.35 175.55 3gqa s THR 451 N 1.06 0.95 0.00 5.49 2.01 -0.48 -0.18 115.64 124.49 3gqa s THR 451 Ca -0.00 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.65 3gqa s THR 451 Cb -0.15 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.46 3gqa s THR 451 CO -0.02 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 3gqa n GLY 452 N 4.08 0.44 2.38 4.40 0.00 -0.42 -1.74 105.19 114.33 3gqa n GLY 452 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3gqa n GLY 452 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gqa n PHE 453 N -2.00 1.94 1.61 1.61 3.01 -1.03 -4.26 117.46 118.33 3gqa n PHE 453 Ca 0.00 -2.46 0.14 0.00 1.01 0.00 0.00 57.45 56.15 3gqa n PHE 453 Cb 0.00 -1.81 0.80 0.00 -0.01 0.00 0.00 39.48 38.46 3gqa n PHE 453 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gqa n SER 454 N 1.96 0.00 -0.25 4.37 3.41 -0.59 -2.33 113.62 120.19 3gqa n SER 454 Ca 0.59 -0.52 0.09 0.00 -0.26 0.00 0.00 58.87 58.77 3gqa n SER 454 Cb 0.42 -0.15 0.16 0.00 -0.26 0.00 0.00 64.21 64.38 3gqa n SER 454 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gqa n ASN 455 N -1.15 2.10 -4.89 4.04 5.15 -1.26 -2.06 115.26 117.20 3gqa n ASN 455 Ca 0.18 -3.33 -0.32 0.00 -0.60 0.00 0.00 54.58 50.51 3gqa n ASN 455 Cb 0.17 -0.46 -0.05 0.00 -0.53 0.00 0.00 39.78 38.91 3gqa n ASN 455 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gqa s SER 456 N -2.96 6.54 0.14 1.20 1.04 -0.98 -4.53 113.70 114.14 3gqa s SER 456 Ca 0.33 0.67 -0.12 0.00 0.48 0.00 0.00 55.95 57.32 3gqa s SER 456 Cb 0.31 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 3gqa s SER 456 CO -0.00 0.05 1.49 -0.08 0.98 0.00 0.00 173.24 175.68 3gqa h GLU 457 N 2.93 0.91 -4.99 4.02 4.57 -0.97 -1.80 114.58 119.26 3gqa h GLU 457 Ca -0.47 -0.44 -0.47 0.00 -1.18 0.00 0.00 59.36 56.80 3gqa h GLU 457 Cb 1.17 -0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.46 3gqa h GLU 457 CO 0.71 1.10 -0.80 -0.80 -1.18 0.00 0.00 179.01 178.03 3gqa s ASN 458 N -6.73 1.52 0.00 1.04 0.01 -0.75 -0.63 114.94 109.39 3gqa s ASN 458 Ca -0.11 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3gqa s ASN 458 Cb 0.11 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.48 3gqa s ASN 458 CO 0.87 0.13 0.10 0.61 -1.51 0.00 0.00 177.10 177.30 3gqa n GLY 459 N 3.01 -0.60 3.30 0.66 0.00 0.66 -1.76 105.19 110.46 3gqa n GLY 459 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3gqa n GLY 459 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqa s ILE 460 N -1.12 2.73 -0.15 -0.61 1.01 0.36 -0.56 121.20 122.87 3gqa s ILE 460 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3gqa s ILE 460 Cb 0.00 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.37 3gqa s ILE 460 CO 0.00 0.52 -0.07 -0.47 0.00 0.00 0.00 174.94 174.92 3gqa s TYR 461 N 0.57 1.73 -0.12 3.97 5.04 0.19 0.06 117.35 128.79 3gqa s TYR 461 Ca -0.09 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.52 3gqa s TYR 461 Cb -0.16 -1.34 -0.02 0.00 0.35 0.00 0.00 41.96 40.79 3gqa s TYR 461 CO 0.04 -0.60 -0.14 0.08 -1.34 0.00 0.00 175.55 173.59 3gqa s VAL 462 N 1.63 3.01 -0.05 3.14 1.01 -0.19 -1.85 120.40 127.09 3gqa s VAL 462 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3gqa s VAL 462 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3gqa s VAL 462 CO -0.08 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.79 3gqa s ILE 463 N 0.24 1.15 0.32 2.22 1.01 -0.48 0.12 121.20 125.78 3gqa s ILE 463 Ca -0.09 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3gqa s ILE 463 Cb -0.15 -1.03 0.04 0.00 0.01 0.00 0.00 42.46 41.33 3gqa s ILE 463 CO 0.05 0.35 0.37 0.61 0.00 0.00 0.00 174.94 176.32 3gqa n GLY 464 N 3.55 2.32 0.01 6.18 0.00 -0.43 -4.28 105.19 112.54 3gqa n GLY 464 Ca -0.21 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3gqa n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqa n GLY 465 N 1.07 1.13 3.62 -0.02 0.00 -1.07 -4.49 105.19 105.43 3gqa n GLY 465 Ca 0.05 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3gqa n GLY 465 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqa s SER 466 N -0.59 5.92 0.09 1.61 0.15 -1.26 -4.99 113.70 114.63 3gqa s SER 466 Ca 0.00 0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.76 3gqa s SER 466 Cb 0.00 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 3gqa s SER 466 CO 0.00 0.05 -0.14 -0.13 1.20 0.00 0.00 173.24 174.22 3gqa s ARG 467 N 1.13 0.88 0.33 5.44 0.52 -1.26 -5.09 118.95 120.89 3gqa s ARG 467 Ca 0.07 -1.05 -0.28 0.00 -0.52 0.00 0.00 55.73 53.95 3gqa s ARG 467 Cb -0.14 -0.85 -0.10 0.00 0.52 0.00 0.00 34.95 34.38 3gqa s ARG 467 CO 0.05 0.18 1.19 0.20 0.02 0.00 0.00 175.30 176.94 3gqa s GLY 468 N -1.97 2.99 -0.19 -3.53 0.00 -1.26 -3.01 107.32 100.36 3gqa s GLY 468 Ca 0.01 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3gqa s GLY 468 CO 0.02 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.38 3gqa n GLY 469 N 0.91 0.49 3.87 0.20 0.00 -1.26 -5.02 105.19 104.38 3gqa n GLY 469 Ca 0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3gqa n GLY 469 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqa s ASP 470 N -2.25 5.82 -0.19 1.61 -1.08 -1.16 -4.88 116.67 114.54 3gqa s ASP 470 Ca 0.00 1.29 -0.28 0.00 -0.52 0.00 0.00 52.55 53.04 3gqa s ASP 470 Cb 0.00 -2.21 0.10 0.00 -1.46 0.00 0.00 42.92 39.35 3gqa s ASP 470 CO 0.00 -1.12 0.88 0.00 0.52 0.00 0.00 175.17 175.45 3gqa s ALA 471 N -3.26 -1.88 -0.06 3.66 0.00 -1.26 -4.64 121.76 114.33 3gqa s ALA 471 Ca 0.57 1.69 0.01 0.00 0.00 0.00 0.00 51.96 54.22 3gqa s ALA 471 Cb -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3gqa s ALA 471 CO 0.53 -0.31 -0.05 0.54 0.00 0.00 0.00 175.76 176.47 3gqa s VAL 472 N -0.48 0.66 -0.19 0.00 0.11 -0.73 -2.31 120.40 117.47 3gqa s VAL 472 Ca -0.02 -0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3gqa s VAL 472 Cb -0.02 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3gqa s VAL 472 CO 0.01 0.26 -0.16 0.20 -3.33 0.00 0.00 175.10 172.09 3gqa s ASN 473 N 1.07 3.42 -0.16 3.54 0.01 -0.73 -1.70 114.94 120.39 3gqa s ASN 473 Ca -0.08 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 3gqa s ASN 473 Cb -0.14 -1.54 0.03 0.00 0.41 0.00 0.00 41.25 40.01 3gqa s ASN 473 CO -0.01 -0.00 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.85 3gqa s ILE 474 N 1.32 1.43 0.02 0.60 1.01 0.47 -0.30 121.20 125.75 3gqa s ILE 474 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3gqa s ILE 474 Cb -0.13 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3gqa s ILE 474 CO -0.10 0.28 0.02 -0.94 0.00 0.00 0.00 174.94 174.20 3gqa s SER 475 N 1.52 0.21 -1.13 3.58 1.04 -0.44 -1.13 113.70 117.34 3gqa s SER 475 Ca 0.02 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.86 3gqa s SER 475 Cb -0.14 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 3gqa s SER 475 CO -0.09 -0.37 0.84 0.59 0.98 0.00 0.00 173.24 175.20 3gqa n ASN 476 N 1.33 -5.00 -4.45 7.02 3.02 -0.73 -2.22 115.26 114.23 3gqa n ASN 476 Ca -0.22 -0.83 -0.33 0.00 -0.03 0.00 0.00 54.58 53.17 3gqa n ASN 476 Cb 0.56 -4.37 -0.13 0.00 -0.61 0.00 0.00 39.78 35.22 3gqa n ASN 476 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqa s VAL 477 N -3.46 3.12 -0.03 2.41 1.01 -0.75 -1.66 120.40 121.05 3gqa s VAL 477 Ca 0.36 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3gqa s VAL 477 Cb -0.09 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3gqa s VAL 477 CO 0.79 0.57 -0.07 0.28 0.00 0.00 0.00 175.10 176.67 3gqa s THR 478 N -0.38 0.67 -0.15 3.92 -1.32 -0.13 -0.79 115.64 117.46 3gqa s THR 478 Ca 0.04 -0.28 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 3gqa s THR 478 Cb -0.12 -0.62 0.01 0.00 -1.51 0.00 0.00 72.50 70.26 3gqa s THR 478 CO 0.02 0.22 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.70 3gqa s LEU 479 N 0.36 2.04 -0.42 9.08 1.43 -0.28 -1.73 118.68 129.15 3gqa s LEU 479 Ca -0.05 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.40 3gqa s LEU 479 Cb -0.10 -1.39 0.10 0.00 0.03 0.00 0.00 46.19 44.83 3gqa s LEU 479 CO 0.00 0.04 0.24 0.21 0.23 0.00 0.00 176.35 177.07 3gqa s ASN 480 N 1.04 5.41 -1.42 2.29 3.04 0.74 -1.08 114.94 124.97 3gqa s ASN 480 Ca -0.02 -1.87 -0.00 0.00 0.04 0.00 0.00 52.86 51.01 3gqa s ASN 480 Cb -0.14 -1.90 0.00 0.00 -1.54 0.00 0.00 41.25 37.67 3gqa s ASN 480 CO -0.06 -0.57 0.39 0.59 -3.04 0.00 0.00 177.10 174.41 3gqa n ASN 481 N 4.73 -0.24 -3.68 -4.21 3.02 0.39 -1.30 115.26 113.97 3gqa n ASN 481 Ca -0.06 -1.03 -0.30 0.00 -0.03 0.00 0.00 54.58 53.17 3gqa n ASN 481 Cb 0.42 -2.94 -0.13 0.00 -0.61 0.00 0.00 39.78 36.51 3gqa n ASN 481 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gqa s SER 482 N -4.36 3.66 0.00 6.41 0.01 -1.26 -1.54 113.70 116.62 3gqa s SER 482 Ca 0.01 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.01 3gqa s SER 482 Cb -0.01 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.34 3gqa s SER 482 CO 0.90 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.84 3gqa n GLY 483 N 4.01 1.99 0.36 3.44 0.00 -1.13 -4.20 105.19 109.67 3gqa n GLY 483 Ca 0.06 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 45.04 3gqa n GLY 483 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gqa h ARG 484 N 0.00 0.84 -4.82 1.61 3.08 -0.84 -3.23 114.38 111.02 3gqa h ARG 484 Ca 0.00 -0.05 -0.68 0.00 0.07 0.00 0.00 59.98 59.32 3gqa h ARG 484 Cb 0.00 -0.19 -0.28 0.00 0.08 0.00 0.00 29.97 29.58 3gqa h ARG 484 CO 0.00 0.55 -0.65 0.71 -1.07 0.00 0.00 179.97 179.51 3gqa s TYR 485 N -5.78 3.13 0.00 3.04 1.51 0.19 -0.38 117.35 119.07 3gqa s TYR 485 Ca -0.11 -1.14 -0.24 0.00 -1.01 0.00 0.00 57.07 54.57 3gqa s TYR 485 Cb 0.20 -2.21 -0.14 0.00 -0.11 0.00 0.00 41.96 39.70 3gqa s TYR 485 CO 0.79 -0.62 1.04 0.78 -1.11 0.00 0.00 175.55 176.42 3gqa h GLY 486 N 8.18 -0.75 -7.20 0.71 0.00 -0.82 0.19 103.07 103.36 3gqa h GLY 486 Ca -0.31 0.28 -0.57 0.00 0.00 0.00 0.00 47.33 46.73 3gqa h GLY 486 CO 0.59 -0.27 -0.79 0.14 0.00 0.00 0.00 176.54 176.21 3gqa s VAL 487 N -4.37 1.20 -0.12 4.60 1.01 0.47 -0.49 120.40 122.70 3gqa s VAL 487 Ca -0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3gqa s VAL 487 Cb 0.01 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3gqa s VAL 487 CO 0.42 0.04 -0.19 -0.55 0.00 0.00 0.00 175.10 174.82 3gqa s SER 488 N 1.58 3.44 -0.21 3.32 0.15 0.11 -1.05 113.70 121.04 3gqa s SER 488 Ca -0.01 -0.48 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 3gqa s SER 488 Cb -0.16 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 3gqa s SER 488 CO -0.07 0.14 -0.02 -0.63 1.20 0.00 0.00 173.24 173.86 3gqa s ILE 489 N 0.45 3.74 0.00 6.45 -1.09 0.45 -1.03 121.20 130.17 3gqa s ILE 489 Ca -0.14 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 3gqa s ILE 489 Cb -0.17 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 3gqa s ILE 489 CO 0.06 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3gqa n GLY 490 N 4.44 1.58 3.83 6.18 0.00 0.12 -1.65 105.19 119.68 3gqa n GLY 490 Ca -0.17 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 3gqa n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqa s SER 491 N -1.00 4.84 -0.02 1.61 1.04 -1.26 -4.23 113.70 114.67 3gqa s SER 491 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 3gqa s SER 491 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3gqa s SER 491 CO 0.00 -1.74 0.00 0.61 0.98 0.00 0.00 173.24 173.09 3gqa n GLY 492 N -2.38 0.47 3.16 7.32 0.00 -1.26 -1.32 105.19 111.18 3gqa n GLY 492 Ca 0.07 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3gqa n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqa s ILE 493 N -1.97 2.62 -0.08 -0.61 1.01 -1.26 -2.59 121.20 118.32 3gqa s ILE 493 Ca 0.00 -1.11 0.18 0.00 0.00 0.00 0.00 60.65 59.72 3gqa s ILE 493 Cb 0.00 -2.32 -0.27 0.00 0.01 0.00 0.00 42.46 39.87 3gqa s ILE 493 CO 0.00 0.22 0.29 -0.62 0.00 0.00 0.00 174.94 174.84 3gqa n GLU 494 N 4.62 0.76 -3.98 2.79 1.02 -1.26 -4.74 120.64 119.86 3gqa n GLU 494 Ca -0.17 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.55 3gqa n GLU 494 Cb 0.47 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 3gqa n GLU 494 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gqa s ASN 495 N -4.56 4.62 -0.01 1.62 0.01 -1.26 -4.92 114.94 110.44 3gqa s ASN 495 Ca -0.08 -2.20 0.03 0.00 -0.71 0.00 0.00 52.86 49.91 3gqa s ASN 495 Cb 0.10 -1.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.21 3gqa s ASN 495 CO 0.77 -0.37 -0.11 0.68 -1.51 0.00 0.00 177.10 176.56 3gqa s VAL 496 N 0.85 0.91 -0.19 1.60 -7.23 -1.26 -1.77 120.40 113.31 3gqa s VAL 496 Ca 0.12 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3gqa s VAL 496 Cb -0.20 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.00 3gqa s VAL 496 CO -0.09 0.26 -0.17 -0.55 -0.31 0.00 0.00 175.10 174.24 3gqa s SER 497 N -0.18 3.22 -0.25 4.85 0.15 -0.69 -1.10 113.70 119.72 3gqa s SER 497 Ca 0.03 -0.73 0.02 0.00 0.70 0.00 0.00 55.95 55.97 3gqa s SER 497 Cb -0.05 -1.42 0.06 0.00 -1.71 0.00 0.00 66.02 62.90 3gqa s SER 497 CO -0.00 -0.04 -0.08 -0.63 1.20 0.00 0.00 173.24 173.68 3gqa s ILE 498 N 1.31 1.84 -0.01 6.45 1.01 0.87 -0.40 121.20 132.27 3gqa s ILE 498 Ca 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.28 3gqa s ILE 498 Cb -0.14 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3gqa s ILE 498 CO -0.11 -0.07 -0.08 0.42 0.00 0.00 0.00 174.94 175.10 3gqa s THR 499 N 1.25 0.68 -0.89 2.92 -4.23 -0.29 -1.78 115.64 113.29 3gqa s THR 499 Ca -0.07 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.06 3gqa s THR 499 Cb -0.19 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 3gqa s THR 499 CO -0.06 0.20 0.79 0.59 -0.54 0.00 0.00 174.62 175.61 3gqa n ASN 500 N 3.06 -7.10 -4.45 3.99 3.02 -0.25 -1.77 115.26 111.78 3gqa n ASN 500 Ca -0.15 -0.42 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 3gqa n ASN 500 Cb 0.56 -5.05 -0.13 0.00 -0.61 0.00 0.00 39.78 34.55 3gqa n ASN 500 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqa s ILE 501 N -3.19 3.50 0.09 2.41 -1.09 -0.92 -1.81 121.20 120.20 3gqa s ILE 501 Ca 0.22 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.18 3gqa s ILE 501 Cb -0.03 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3gqa s ILE 501 CO 0.76 0.51 -0.13 -0.94 -1.23 0.00 0.00 174.94 173.91 3gqa s SER 502 N 0.27 1.65 -0.11 3.58 1.04 0.03 -1.25 113.70 118.91 3gqa s SER 502 Ca -0.06 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 3gqa s SER 502 Cb -0.15 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.98 3gqa s SER 502 CO 0.04 -0.14 0.41 -0.83 0.98 0.00 0.00 173.24 173.70 3gqa s GLY 503 N -2.05 -0.29 -0.19 7.32 0.00 -0.47 -1.12 107.32 110.50 3gqa s GLY 503 Ca 0.02 0.98 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 3gqa s GLY 503 CO 0.02 0.79 -0.08 -0.42 0.00 0.00 0.00 173.10 173.41 3gqa s ILE 504 N -0.28 3.21 -0.61 0.90 1.01 -0.24 -1.81 121.20 123.37 3gqa s ILE 504 Ca -0.04 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3gqa s ILE 504 Cb -0.03 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 40.05 3gqa s ILE 504 CO 0.02 0.46 0.66 0.61 0.00 0.00 0.00 174.94 176.69 3gqa n GLY 505 N 4.44 -0.97 0.38 6.18 0.00 0.57 -0.46 105.19 115.32 3gqa n GLY 505 Ca -0.18 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.85 3gqa n GLY 505 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqa h ASP 506 N 0.96 0.51 -0.50 1.61 3.32 -1.71 -1.10 116.42 119.52 3gqa h ASP 506 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3gqa h ASP 506 Cb 0.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3gqa h ASP 506 CO 0.00 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 3gqa n GLY 507 N -1.48 1.74 3.78 2.75 0.00 -1.26 -4.96 105.19 105.75 3gqa n GLY 507 Ca 0.17 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3gqa n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqa s ILE 508 N -1.35 4.43 -0.60 -0.61 1.01 -0.42 -4.88 121.20 118.79 3gqa s ILE 508 Ca 0.40 1.66 -0.27 0.00 0.00 0.00 0.00 60.65 62.45 3gqa s ILE 508 Cb 0.22 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3gqa s ILE 508 CO 0.30 0.51 1.73 0.21 0.00 0.00 0.00 174.94 177.69 3gqa s ASN 509 N -1.02 5.54 -1.06 3.58 3.04 -0.87 -4.14 114.94 120.01 3gqa s ASN 509 Ca 0.36 0.31 -0.10 0.00 0.04 0.00 0.00 52.86 53.47 3gqa s ASN 509 Cb -0.23 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 36.90 3gqa s ASN 509 CO 0.25 -2.17 0.88 -1.20 -3.04 0.00 0.00 177.10 171.82 3gqa n SER 510 N 11.72 -6.35 -4.76 -4.21 7.64 -1.26 -4.89 113.62 111.51 3gqa n SER 510 Ca 0.17 -0.77 -0.36 0.00 1.01 0.00 0.00 58.87 58.93 3gqa n SER 510 Cb 0.51 -4.71 0.03 0.00 -1.01 0.00 0.00 64.21 59.02 3gqa n SER 510 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3gqa s PRO 511 N -4.75 3.11 -0.01 1.43 0.04 -1.26 -4.87 135.00 128.69 3gqa s PRO 511 Ca 0.44 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 3gqa s PRO 511 Cb -0.09 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3gqa s PRO 511 CO 0.77 -1.09 -0.10 0.28 0.04 0.00 0.00 177.00 176.90 3gqa n VAL 512 N -1.39 0.92 -3.73 -0.36 0.31 0.49 -4.55 118.33 110.03 3gqa n VAL 512 Ca 0.12 0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.59 3gqa n VAL 512 Cb 0.49 -1.68 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 3gqa n VAL 512 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqa s ALA 513 N -2.39 -1.05 0.11 3.52 0.00 -0.85 -2.67 121.76 118.43 3gqa s ALA 513 Ca -0.08 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 3gqa s ALA 513 Cb 0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 3gqa s ALA 513 CO 0.12 -0.21 1.72 1.25 0.00 0.00 0.00 175.76 178.65 3gqa h LEU 514 N 5.35 0.25 -8.05 0.00 6.46 -1.00 -1.00 115.31 117.31 3gqa h LEU 514 Ca -0.27 -0.06 -0.45 0.00 -0.12 0.00 0.00 57.88 56.97 3gqa h LEU 514 Cb 1.18 -0.06 -0.30 0.00 -0.73 0.00 0.00 40.66 40.74 3gqa h LEU 514 CO 0.25 0.24 -0.80 -0.69 -0.62 0.00 0.00 178.44 176.82 3gqa s VAL 515 N -5.94 0.91 0.01 1.05 1.01 0.08 -0.40 120.40 117.11 3gqa s VAL 515 Ca -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3gqa s VAL 515 Cb 0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3gqa s VAL 515 CO 0.70 0.27 -0.02 -0.55 0.00 0.00 0.00 175.10 175.50 3gqa s SER 516 N 0.06 0.26 -0.01 3.32 0.15 -0.21 -0.57 113.70 116.69 3gqa s SER 516 Ca -0.01 -0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 3gqa s SER 516 Cb -0.08 0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 3gqa s SER 516 CO 0.00 -0.06 0.02 -0.89 1.20 0.00 0.00 173.24 173.52 3gqa s THR 517 N -0.41 -0.04 -0.13 6.45 2.01 -0.16 -0.41 115.64 122.97 3gqa s THR 517 Ca -0.03 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 3gqa s THR 517 Cb -0.03 -0.06 -0.26 0.00 0.01 0.00 0.00 72.50 72.16 3gqa s THR 517 CO -0.00 0.05 0.68 0.40 -0.69 0.00 0.00 174.62 175.06 3gqa h ILE 518 N 5.82 1.49 -4.15 1.82 1.08 -1.53 -0.76 117.51 121.29 3gqa h ILE 518 Ca -0.37 -2.37 -0.52 0.00 -0.39 0.00 0.00 64.86 61.21 3gqa h ILE 518 Cb 1.16 3.07 0.11 0.00 -3.07 0.00 0.00 36.82 38.10 3gqa h ILE 518 CO 0.49 0.60 0.42 0.54 -0.69 0.00 0.00 178.15 179.50 3gqa s ASN 519 N -6.60 4.99 0.15 1.72 4.22 -1.26 -4.24 114.94 113.93 3gqa s ASN 519 Ca -0.19 2.23 0.24 0.00 -2.14 0.00 0.00 52.86 53.00 3gqa s ASN 519 Cb 0.00 -2.58 0.32 0.00 1.28 0.00 0.00 41.25 40.27 3gqa s ASN 519 CO 0.72 -1.72 1.32 0.77 -2.04 0.00 0.00 177.10 176.14 3gqa h SER 520 N 0.38 0.00 -1.66 3.54 4.64 -1.94 -3.33 113.55 115.18 3gqa h SER 520 Ca -0.49 -0.16 -0.64 0.00 -0.47 0.00 0.00 61.79 60.04 3gqa h SER 520 Cb 1.28 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.99 3gqa h SER 520 CO 0.54 0.08 -0.26 -0.46 -0.87 0.00 0.00 176.83 175.86 3gqa n ASN 521 N -2.25 5.44 -4.80 4.97 6.94 -1.26 -4.88 115.26 119.42 3gqa n ASN 521 Ca 0.03 -3.75 -0.33 0.00 -0.02 0.00 0.00 54.58 50.51 3gqa n ASN 521 Cb 0.46 -0.62 -0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3gqa n ASN 521 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3gqa s PRO 522 N -3.68 3.43 -0.21 -0.53 0.04 -1.26 -4.77 135.00 128.02 3gqa s PRO 522 Ca 0.49 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 3gqa s PRO 522 Cb 0.41 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 3gqa s PRO 522 CO -0.25 -0.73 0.43 -1.21 0.04 0.00 0.00 177.00 175.29 3gqa s GLU 523 N -3.76 4.16 -0.01 4.56 2.02 -0.26 -4.71 118.70 120.69 3gqa s GLU 523 Ca 0.66 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.89 3gqa s GLU 523 Cb -0.17 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.51 3gqa s GLU 523 CO 0.31 -0.11 0.01 0.42 0.02 0.00 0.00 175.26 175.91 3gqa s ILE 524 N 1.53 -0.00 0.17 -1.63 1.01 -0.99 -0.09 121.20 121.19 3gqa s ILE 524 Ca 0.20 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 3gqa s ILE 524 Cb -0.15 -0.05 0.06 0.00 0.01 0.00 0.00 42.46 42.32 3gqa s ILE 524 CO 0.09 0.04 0.57 -0.94 0.00 0.00 0.00 174.94 174.69 3gqa s SER 525 N 0.40 -0.46 -0.69 3.58 1.04 -0.74 -0.74 113.70 116.09 3gqa s SER 525 Ca -0.03 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3gqa s SER 525 Cb -0.05 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3gqa s SER 525 CO -0.01 -0.98 0.60 0.61 0.98 0.00 0.00 173.24 174.43 3gqa n GLY 526 N -0.36 0.15 3.79 7.32 0.00 -1.26 -1.09 105.19 113.75 3gqa n GLY 526 Ca -0.15 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3gqa n GLY 526 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqa s LEU 527 N -4.28 4.50 -0.08 0.99 1.43 -1.26 -2.15 118.68 117.83 3gqa s LEU 527 Ca 0.25 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3gqa s LEU 527 Cb -0.11 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.20 3gqa s LEU 527 CO 0.38 0.21 0.18 -0.55 0.23 0.00 0.00 176.35 176.80 3gqa s SER 528 N -0.83 -0.04 0.15 2.29 0.15 -0.38 -4.87 113.70 110.18 3gqa s SER 528 Ca 0.30 0.37 -0.11 0.00 0.70 0.00 0.00 55.95 57.21 3gqa s SER 528 Cb -0.20 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3gqa s SER 528 CO 0.19 -0.17 0.32 -0.94 1.20 0.00 0.00 173.24 173.85 3gqa s SER 529 N 1.36 -0.02 -0.02 5.45 1.04 -1.26 -1.37 113.70 118.88 3gqa s SER 529 Ca -0.08 -0.72 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 3gqa s SER 529 Cb -0.11 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3gqa s SER 529 CO -0.07 -0.89 0.05 -0.51 0.98 0.00 0.00 173.24 172.81 3gqa s ILE 530 N -3.92 -0.01 0.00 -1.02 2.07 -0.75 -4.90 121.20 112.67 3gqa s ILE 530 Ca 0.12 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3gqa s ILE 530 Cb 0.03 -0.09 0.00 0.00 0.13 0.00 0.00 42.46 42.53 3gqa s ILE 530 CO -0.03 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 3gqa n GLY 531 N 3.18 0.87 3.71 1.50 0.00 -1.26 -0.32 105.19 112.86 3gqa n GLY 531 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3gqa n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqa s TYR 532 N -3.14 3.39 0.39 1.61 1.51 -1.26 -4.04 117.35 115.81 3gqa s TYR 532 Ca 0.00 0.35 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 3gqa s TYR 532 Cb 0.00 -2.24 0.79 0.00 -0.11 0.00 0.00 41.96 40.41 3gqa s TYR 532 CO 0.00 0.20 2.02 -1.35 -1.11 0.00 0.00 175.55 175.32 3gqa h PRO 533 N 6.95 0.56 -6.00 -1.71 0.11 -1.80 -3.40 132.00 126.72 3gqa h PRO 533 Ca -0.40 -0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.01 3gqa h PRO 533 Cb 1.16 -0.12 -0.31 0.00 0.11 0.00 0.00 31.00 31.84 3gqa h PRO 533 CO 0.73 0.41 -0.87 0.99 -0.21 0.00 0.00 178.00 179.05 3gqa s THR 534 N -5.42 1.84 -0.04 -1.15 2.01 -1.09 -5.04 115.64 106.75 3gqa s THR 534 Ca -0.08 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 3gqa s THR 534 Cb 0.17 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 3gqa s THR 534 CO 0.74 0.52 -0.01 0.58 -0.69 0.00 0.00 174.62 175.76 3gqa h VAL 535 N 4.89 0.00 -3.51 3.82 2.07 -1.78 -2.58 116.25 119.16 3gqa h VAL 535 Ca -0.36 -0.39 -0.68 0.00 0.82 0.00 0.00 66.70 66.09 3gqa h VAL 535 Cb 1.16 0.00 -0.32 0.00 -1.52 0.00 0.00 31.29 30.61 3gqa h VAL 535 CO 0.47 0.00 -0.86 0.00 0.02 0.00 0.00 177.57 177.20 3gqa s ALA 536 N -2.83 2.24 -0.32 1.67 0.00 -0.60 -0.74 121.76 121.18 3gqa s ALA 536 Ca -0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3gqa s ALA 536 Cb 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.34 3gqa s ALA 536 CO 0.01 0.32 0.04 0.50 0.00 0.00 0.00 175.76 176.62 3gqa s ARG 537 N 0.20 2.37 -0.29 0.00 3.52 0.27 -0.16 118.95 124.86 3gqa s ARG 537 Ca -0.14 -1.34 -0.06 0.00 -0.13 0.00 0.00 55.73 54.07 3gqa s ARG 537 Cb -0.17 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 3gqa s ARG 537 CO 0.07 -0.69 0.06 0.08 -0.81 0.00 0.00 175.30 174.01 3gqa s VAL 538 N 1.24 3.74 -1.43 7.11 1.01 -0.15 -0.98 120.40 130.95 3gqa s VAL 538 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3gqa s VAL 538 Cb -0.20 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.26 3gqa s VAL 538 CO -0.01 0.08 0.07 0.00 0.00 0.00 0.00 175.10 175.24 3gqa n ALA 539 N 4.82 -1.80 -0.05 5.51 0.00 -0.29 -0.66 120.51 128.05 3gqa n ALA 539 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3gqa n ALA 539 Cb 0.47 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3gqa n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqa n GLY 540 N -2.24 1.46 3.54 0.00 0.00 -1.26 -5.03 105.19 101.65 3gqa n GLY 540 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3gqa n GLY 540 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqa s THR 541 N -2.56 4.52 0.15 2.61 2.01 0.17 -5.08 115.64 117.47 3gqa s THR 541 Ca 0.00 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 3gqa s THR 541 Cb 0.00 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.36 3gqa s THR 541 CO 0.00 0.40 0.73 -1.81 -0.69 0.00 0.00 174.62 173.25 3gqa s ASP 542 N 0.97 7.30 -0.23 3.53 1.01 -1.26 -0.97 116.67 127.02 3gqa s ASP 542 Ca 0.04 1.55 -0.02 0.00 0.71 0.00 0.00 52.55 54.83 3gqa s ASP 542 Cb -0.14 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.39 3gqa s ASP 542 CO 0.03 0.21 0.04 -0.31 0.21 0.00 0.00 175.17 175.34 3gqa s TYR 543 N -1.17 1.37 -1.48 4.23 1.51 0.77 -5.00 117.35 117.58 3gqa s TYR 543 Ca 0.35 -1.18 0.12 0.00 -1.01 0.00 0.00 57.07 55.35 3gqa s TYR 543 Cb -0.22 -1.25 0.09 0.00 -0.11 0.00 0.00 41.96 40.47 3gqa s TYR 543 CO 0.24 -0.70 0.87 0.09 -1.11 0.00 0.00 175.55 174.95 3gqa n ASN 544 N 4.95 1.98 -0.46 2.29 3.02 -1.26 -1.56 115.26 124.22 3gqa n ASN 544 Ca -0.08 -1.49 0.07 0.00 -0.03 0.00 0.00 54.58 53.05 3gqa n ASN 544 Cb 0.45 0.01 0.15 0.00 -0.61 0.00 0.00 39.78 39.78 3gqa n ASN 544 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gqa n ASP 545 N 0.65 1.76 0.00 6.41 8.00 -1.26 -4.82 116.55 127.29 3gqa n ASP 545 Ca 0.07 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.32 3gqa n ASP 545 Cb 0.30 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3gqa n ASP 545 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqa n GLY 546 N -1.01 2.20 3.23 0.44 0.00 -1.26 -5.12 105.19 103.67 3gqa n GLY 546 Ca 0.15 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3gqa n GLY 546 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gqa s LEU 547 N 0.00 0.29 -0.15 0.99 0.20 -1.26 -5.03 118.68 113.72 3gqa s LEU 547 Ca 0.00 0.76 -0.01 0.00 0.69 0.00 0.00 54.13 55.58 3gqa s LEU 547 Cb 0.00 1.20 0.04 0.00 -0.43 0.00 0.00 46.19 47.00 3gqa s LEU 547 CO 0.00 -0.16 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.96 3gqa s THR 548 N 0.87 1.01 -0.11 3.68 2.01 -1.26 -4.06 115.64 117.78 3gqa s THR 548 Ca -0.06 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.48 3gqa s THR 548 Cb -0.06 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3gqa s THR 548 CO -0.06 0.19 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.13 3gqa s LEU 549 N 1.69 1.77 0.16 4.42 1.43 0.08 -4.97 118.68 123.25 3gqa s LEU 549 Ca 0.02 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3gqa s LEU 549 Cb -0.14 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3gqa s LEU 549 CO -0.08 0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 175.97 3gqa s PHE 550 N 0.94 1.93 0.31 0.29 0.40 -1.26 -2.34 117.98 118.25 3gqa s PHE 550 Ca -0.07 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 3gqa s PHE 550 Cb -0.15 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 3gqa s PHE 550 CO -0.01 0.36 0.11 -0.80 0.70 0.00 0.00 175.22 175.57 3gqa s ASN 551 N -2.58 4.72 0.00 1.36 0.01 -1.26 -5.03 114.94 112.17 3gqa s ASN 551 Ca 0.16 -0.69 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 3gqa s ASN 551 Cb -0.07 -0.82 0.00 0.00 0.41 0.00 0.00 41.25 40.77 3gqa s ASN 551 CO 0.07 -0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 3gqa n GLY 552 N -1.08 -1.31 3.54 0.66 0.00 -1.26 -4.84 105.19 100.90 3gqa n GLY 552 Ca -0.04 -1.54 -0.50 0.00 0.00 0.00 0.00 46.02 43.94 3gqa n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqa n ALA 553 N -1.08 -1.54 -2.73 4.61 0.00 -1.23 -4.80 120.51 113.75 3gqa n ALA 553 Ca 0.00 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 3gqa n ALA 553 Cb 0.00 -1.92 -0.16 0.00 0.00 0.00 0.00 19.45 17.37 3gqa n ALA 553 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gqa s PHE 554 N -0.31 2.49 -0.06 0.00 5.36 -1.13 -5.01 117.98 119.32 3gqa s PHE 554 Ca 0.74 -0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 56.02 3gqa s PHE 554 Cb -0.93 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 40.16 3gqa s PHE 554 CO 0.54 -0.17 0.15 0.50 -1.46 0.00 0.00 175.22 174.78 3gqa s ARG 555 N -0.19 0.13 0.04 10.12 3.52 -1.26 -2.21 118.95 129.10 3gqa s ARG 555 Ca -0.02 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3gqa s ARG 555 Cb -0.14 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3gqa s ARG 555 CO 0.03 -0.11 -0.04 0.00 -0.81 0.00 0.00 175.30 174.37 3gqa s ALA 556 N 0.76 0.44 -1.76 6.12 0.00 -1.00 -4.90 121.76 121.42 3gqa s ALA 556 Ca -0.06 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.81 3gqa s ALA 556 Cb -0.07 0.18 0.15 0.00 0.00 0.00 0.00 23.12 23.38 3gqa s ALA 556 CO -0.04 -0.23 0.42 -1.13 0.00 0.00 0.00 175.76 174.79 3gqa n SER 557 N 0.83 -1.02 -3.61 0.00 3.41 -1.26 -2.28 113.62 109.69 3gqa n SER 557 Ca -0.19 -1.24 -0.17 0.00 -0.26 0.00 0.00 58.87 57.02 3gqa n SER 557 Cb 0.58 -1.71 -0.14 0.00 -0.26 0.00 0.00 64.21 62.67 3gqa n SER 557 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gqa s THR 558 N -3.63 -0.30 0.09 6.66 2.01 -1.26 -2.81 115.64 116.40 3gqa s THR 558 Ca 0.55 0.17 0.13 0.00 0.31 0.00 0.00 61.69 62.85 3gqa s THR 558 Cb -0.32 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 3gqa s THR 558 CO 1.01 0.01 1.52 0.71 -0.69 0.00 0.00 174.62 177.18 3gqa h THR 559 N 6.34 1.19 -3.37 -0.82 1.35 -1.92 -3.46 112.91 112.22 3gqa h THR 559 Ca -0.15 -2.30 -0.06 0.00 -0.55 0.00 0.00 66.41 63.36 3gqa h THR 559 Cb 1.13 2.33 -0.13 0.00 -1.73 0.00 0.00 68.15 69.75 3gqa h THR 559 CO 0.19 0.60 -0.09 -0.94 -0.25 0.00 0.00 175.52 175.03 3gqa s SER 560 N -6.59 -0.23 0.17 5.36 1.04 -1.26 -5.10 113.70 107.09 3gqa s SER 560 Ca 0.01 -0.29 -0.24 0.00 0.48 0.00 0.00 55.95 55.91 3gqa s SER 560 Cb 0.10 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.74 3gqa s SER 560 CO 0.75 -0.83 0.75 -0.94 0.98 0.00 0.00 173.24 173.96 3gqa s SER 561 N -2.71 -0.37 0.00 7.02 1.04 -1.26 -4.23 113.70 113.19 3gqa s SER 561 Ca 0.02 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3gqa s SER 561 Cb 0.02 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3gqa s SER 561 CO -0.11 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3gqa n GLY 562 N -0.40 -0.10 3.77 7.32 0.00 0.01 -4.94 105.19 110.85 3gqa n GLY 562 Ca -0.10 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3gqa n GLY 562 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqa s LYS 563 N 0.16 4.15 -0.15 1.61 2.47 -1.26 -4.80 119.74 121.92 3gqa s LYS 563 Ca 0.00 2.52 0.01 0.00 -1.56 0.00 0.00 55.97 56.94 3gqa s LYS 563 Cb 0.00 -3.01 0.02 0.00 -1.46 0.00 0.00 37.83 33.38 3gqa s LYS 563 CO 0.00 -0.53 -0.16 0.42 0.16 0.00 0.00 175.35 175.25 3gqa s ILE 564 N -0.66 1.69 0.69 5.43 1.01 -1.26 -1.60 121.20 126.50 3gqa s ILE 564 Ca 0.56 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 3gqa s ILE 564 Cb -0.46 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.46 3gqa s ILE 564 CO 0.56 0.48 1.23 -2.28 0.00 0.00 0.00 174.94 174.92 3gqa s HIS 565 N 1.40 2.11 0.38 3.97 5.65 0.11 -4.72 115.29 124.18 3gqa s HIS 565 Ca 0.04 1.56 0.38 0.00 0.25 0.00 0.00 55.06 57.29 3gqa s HIS 565 Cb -0.13 -3.53 1.99 0.00 -1.18 0.00 0.00 32.58 29.73 3gqa s HIS 565 CO -0.11 -2.63 2.16 0.66 -0.65 0.00 0.00 174.74 174.18 3gqa h SER 566 N 0.11 0.00 -1.07 9.88 4.64 -1.90 -1.01 113.55 124.19 3gqa h SER 566 Ca -0.49 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.21 3gqa h SER 566 Cb 1.31 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.03 3gqa h SER 566 CO 0.51 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.82 3gqa n GLU 567 N -2.90 3.19 -4.19 4.77 1.02 -1.26 -3.48 120.64 117.78 3gqa n GLU 567 Ca -0.02 -3.85 -0.18 0.00 -0.02 0.00 0.00 57.16 53.09 3gqa n GLU 567 Cb 0.11 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.19 3gqa n GLU 567 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gqa s GLY 568 N -2.73 1.99 0.07 0.62 0.00 -0.38 -0.23 107.32 106.66 3gqa s GLY 568 Ca 0.55 -1.84 -0.26 0.00 0.00 0.00 0.00 44.72 43.17 3gqa s GLY 568 CO -0.06 -1.26 0.71 -0.11 0.00 0.00 0.00 173.10 172.39 3gqa s PHE 569 N -3.18 -0.49 -0.04 1.90 -0.71 -1.14 -2.86 117.98 111.45 3gqa s PHE 569 Ca 0.36 0.41 0.01 0.00 -1.04 0.00 0.00 56.93 56.68 3gqa s PHE 569 Cb 0.01 0.53 0.02 0.00 -1.21 0.00 0.00 43.02 42.37 3gqa s PHE 569 CO 0.25 -0.70 -0.04 0.42 -1.34 0.00 0.00 175.22 173.80 3gqa s ILE 570 N -3.10 0.53 0.06 -4.49 1.01 -0.94 -1.91 121.20 112.36 3gqa s ILE 570 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3gqa s ILE 570 Cb -0.01 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 3gqa s ILE 570 CO -0.08 0.22 -0.08 -0.04 0.00 0.00 0.00 174.94 174.97 3gqa s MET 571 N 0.92 0.64 -1.53 2.79 -1.94 -0.64 -2.39 119.30 117.16 3gqa s MET 571 Ca -0.11 -0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 52.80 3gqa s MET 571 Cb -0.14 -0.29 0.08 0.00 2.01 0.00 0.00 34.83 36.49 3gqa s MET 571 CO 0.00 0.03 0.86 0.41 -0.01 0.00 0.00 175.02 176.31 3gqa n GLY 572 N 0.97 -0.43 3.41 -0.03 0.00 -0.97 -1.56 105.19 106.57 3gqa n GLY 572 Ca -0.19 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3gqa n GLY 572 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqa s SER 573 N -3.54 2.63 0.26 1.61 0.01 -1.12 -2.71 113.70 110.84 3gqa s SER 573 Ca 0.54 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.65 3gqa s SER 573 Cb -0.28 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.84 3gqa s SER 573 CO 0.85 -0.34 0.26 0.35 0.41 0.00 0.00 173.24 174.77 3gqa n THR 574 N -0.54 0.00 -0.89 1.44 -2.24 -0.41 -4.32 114.28 107.32 3gqa n THR 574 Ca -0.06 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.45 3gqa n THR 574 Cb 0.63 -0.47 0.14 0.00 -2.10 0.00 0.00 70.33 68.54 3gqa n THR 574 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gqa s SER 575 N -2.55 3.34 0.00 3.42 1.04 -1.26 -4.12 113.70 113.57 3gqa s SER 575 Ca 0.19 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.78 3gqa s SER 575 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3gqa s SER 575 CO 0.12 -2.83 0.00 0.61 0.98 0.00 0.00 173.24 172.13 3gqa n GLY 576 N 0.02 0.69 3.88 7.32 0.00 -1.26 -1.94 105.19 113.90 3gqa n GLY 576 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3gqa n GLY 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqa s GLU 578 N -3.24 0.63 -0.40 0.00 -1.05 -0.97 -0.81 118.70 112.85 3gqa s GLU 578 Ca 0.49 -0.52 0.04 0.00 -0.15 0.00 0.00 54.97 54.82 3gqa s GLU 578 Cb -0.11 0.26 0.17 0.00 -0.44 0.00 0.00 34.13 34.01 3gqa s GLU 578 CO 0.25 -0.17 0.33 0.00 0.95 0.00 0.00 175.26 176.62 3gqa s ALA 579 N -2.10 1.27 -2.40 -0.84 0.00 -0.63 -1.02 121.76 116.04 3gqa s ALA 579 Ca -0.09 -2.34 0.26 0.00 0.00 0.00 0.00 51.96 49.79 3gqa s ALA 579 Cb -0.03 -1.61 0.66 0.00 0.00 0.00 0.00 23.12 22.14 3gqa s ALA 579 CO -0.01 -1.99 1.52 -1.13 0.00 0.00 0.00 175.76 174.14 3gqa n SER 580 N 3.00 1.81 -4.45 0.00 3.41 -0.74 -0.71 113.62 115.93 3gqa n SER 580 Ca 0.28 -1.49 -0.22 0.00 -0.26 0.00 0.00 58.87 57.18 3gqa n SER 580 Cb 0.47 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3gqa n SER 580 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gqa s VAL 581 N -2.16 1.26 0.27 -3.33 -7.23 -1.26 -4.46 120.40 103.48 3gqa s VAL 581 Ca 0.30 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 3gqa s VAL 581 Cb 0.20 -2.76 -0.13 0.00 0.56 0.00 0.00 36.38 34.25 3gqa s VAL 581 CO 0.39 -0.04 1.38 -0.24 -0.31 0.00 0.00 175.10 176.29 3gqa n SER 582 N -0.68 2.77 -3.49 4.85 2.88 -1.26 -2.86 113.62 115.83 3gqa n SER 582 Ca -0.03 1.16 -0.18 0.00 -1.33 0.00 0.00 58.87 58.49 3gqa n SER 582 Cb 0.66 -1.45 0.07 0.00 -0.75 0.00 0.00 64.21 62.75 3gqa n SER 582 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gqa n LYS 583 N 1.66 -5.72 -4.15 -1.46 5.02 0.67 -3.65 118.16 110.54 3gqa n LYS 583 Ca 0.10 0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 57.01 3gqa n LYS 583 Cb 0.33 -5.65 -0.12 0.00 -0.02 0.00 0.00 35.03 29.57 3gqa n LYS 583 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gqa s SER 584 N -4.27 1.31 -0.08 4.39 1.04 -1.14 -0.44 113.70 114.51 3gqa s SER 584 Ca 0.04 -0.55 -0.27 0.00 0.48 0.00 0.00 55.95 55.65 3gqa s SER 584 Cb -0.01 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.15 3gqa s SER 584 CO 0.76 -0.11 0.62 -0.83 0.98 0.00 0.00 173.24 174.66 3gqa s GLY 585 N -1.54 -0.50 -0.07 7.32 0.00 -1.18 -2.90 107.32 108.44 3gqa s GLY 585 Ca -0.04 1.29 0.03 0.00 0.00 0.00 0.00 44.72 45.99 3gqa s GLY 585 CO 0.01 0.97 -0.15 0.14 0.00 0.00 0.00 173.10 174.07 3gqa s VAL 586 N -0.91 1.34 0.09 1.40 1.01 -0.80 -1.93 120.40 120.60 3gqa s VAL 586 Ca -0.09 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.39 3gqa s VAL 586 Cb -0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3gqa s VAL 586 CO 0.07 0.40 -0.26 -0.76 0.00 0.00 0.00 175.10 174.56 3gqa s LEU 587 N 0.58 2.26 -1.49 3.92 1.43 0.14 -1.62 118.68 123.90 3gqa s LEU 587 Ca -0.15 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 3gqa s LEU 587 Cb -0.16 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.90 3gqa s LEU 587 CO 0.05 0.19 0.39 0.35 0.23 0.00 0.00 176.35 177.56 3gqa n THR 588 N 1.28 -2.28 -4.29 5.49 -2.24 -0.60 -2.32 114.28 109.32 3gqa n THR 588 Ca -0.18 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 3gqa n THR 588 Cb 0.53 -2.13 -0.10 0.00 -2.10 0.00 0.00 70.33 66.52 3gqa n THR 588 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gqa s SER 589 N -4.19 1.12 0.02 3.42 0.01 -1.24 -2.46 113.70 110.37 3gqa s SER 589 Ca 0.13 -1.33 0.05 0.00 1.31 0.00 0.00 55.95 56.11 3gqa s SER 589 Cb -0.07 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 3gqa s SER 589 CO 0.92 -0.69 -0.16 -0.94 0.41 0.00 0.00 173.24 172.78 3gqa s SER 590 N -3.26 1.89 -1.57 2.44 1.04 -0.55 -1.29 113.70 112.39 3gqa s SER 590 Ca 0.34 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 3gqa s SER 590 Cb 0.07 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3gqa s SER 590 CO 0.11 0.13 0.05 -1.20 0.98 0.00 0.00 173.24 173.31 3gqa n SER 591 N 2.26 0.71 -4.16 7.02 7.64 -0.82 -1.63 113.62 124.65 3gqa n SER 591 Ca -0.16 -1.27 -0.26 0.00 1.01 0.00 0.00 58.87 58.19 3gqa n SER 591 Cb 0.54 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 62.00 3gqa n SER 591 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gqa s SER 592 N -4.28 2.16 -0.02 6.43 0.01 -1.24 -2.78 113.70 113.98 3gqa s SER 592 Ca 0.07 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3gqa s SER 592 Cb -0.04 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.80 3gqa s SER 592 CO 1.00 0.20 -0.08 -0.54 0.41 0.00 0.00 173.24 174.22 3gqa s LYS 593 N -0.24 0.83 -0.08 12.44 1.02 -0.33 -2.30 119.74 131.08 3gqa s LYS 593 Ca 0.03 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 55.77 3gqa s LYS 593 Cb -0.09 -0.79 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 3gqa s LYS 593 CO 0.01 0.11 -0.16 -0.08 -0.92 0.00 0.00 175.35 174.30 3gqa s THR 594 N 0.15 1.45 -0.22 2.17 -1.32 -0.19 -1.32 115.64 116.36 3gqa s THR 594 Ca -0.02 -0.65 0.11 0.00 -1.21 0.00 0.00 61.69 59.92 3gqa s THR 594 Cb -0.07 -1.30 0.42 0.00 -1.51 0.00 0.00 72.50 70.04 3gqa s THR 594 CO 0.00 0.43 1.22 -1.54 -2.21 0.00 0.00 174.62 172.52 3gqa n SER 595 N 3.85 1.99 -4.51 8.08 3.41 -0.05 -1.79 113.62 124.59 3gqa n SER 595 Ca -0.21 -3.87 -0.37 0.00 -0.26 0.00 0.00 58.87 54.15 3gqa n SER 595 Cb 0.52 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 3gqa n SER 595 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gqa s SER 596 N -3.26 5.59 -0.09 4.04 0.15 -1.21 -4.72 113.70 114.20 3gqa s SER 596 Ca 0.39 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 3gqa s SER 596 Cb 0.37 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 3gqa s SER 596 CO -0.06 -0.06 1.41 -0.70 1.20 0.00 0.00 173.24 175.03 3gqa s GLU 597 N 1.68 4.23 -0.21 5.44 2.12 -1.24 -3.40 118.70 127.33 3gqa s GLU 597 Ca 0.07 1.88 -0.08 0.00 0.36 0.00 0.00 54.97 57.20 3gqa s GLU 597 Cb -0.16 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.46 3gqa s GLU 597 CO 0.07 -0.71 0.29 0.54 -0.54 0.00 0.00 175.26 174.91 3gqa n ARG 598 N 6.45 -1.20 -3.67 4.30 1.74 0.41 -2.03 116.66 122.66 3gqa n ARG 598 Ca 0.15 1.31 -0.10 0.00 -0.77 0.00 0.00 57.85 58.44 3gqa n ARG 598 Cb 0.44 -3.55 -0.05 0.00 -1.02 0.00 0.00 32.46 28.28 3gqa n ARG 598 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gqa s SER 599 N -1.76 -0.18 -0.13 0.55 1.04 -0.75 -1.10 113.70 111.37 3gqa s SER 599 Ca 0.12 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 3gqa s SER 599 Cb -0.03 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3gqa s SER 599 CO 0.38 -0.82 0.31 -0.22 0.98 0.00 0.00 173.24 173.87 3gqa s LEU 600 N -2.75 0.35 -0.15 2.42 2.96 -0.64 -3.13 118.68 117.74 3gqa s LEU 600 Ca 0.03 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3gqa s LEU 600 Cb 0.02 0.97 -0.01 0.00 0.50 0.00 0.00 46.19 47.67 3gqa s LEU 600 CO -0.11 -0.16 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.00 3gqa s ILE 601 N 1.09 2.99 0.04 6.68 1.01 -0.81 -1.13 121.20 131.06 3gqa s ILE 601 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3gqa s ILE 601 Cb -0.08 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3gqa s ILE 601 CO -0.08 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.32 3gqa s ALA 602 N 0.63 0.38 -1.52 9.38 0.00 -0.12 0.27 121.76 130.77 3gqa s ALA 602 Ca -0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 3gqa s ALA 602 Cb -0.15 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.18 3gqa s ALA 602 CO 0.03 -0.14 0.89 0.41 0.00 0.00 0.00 175.76 176.95 3gqa n GLY 603 N 1.25 -0.50 3.38 0.00 0.00 -0.98 -1.37 105.19 106.97 3gqa n GLY 603 Ca -0.21 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3gqa n GLY 603 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqa s SER 604 N -3.19 1.96 0.06 1.61 0.01 -1.20 -2.90 113.70 110.05 3gqa s SER 604 Ca 0.63 -1.31 0.03 0.00 1.31 0.00 0.00 55.95 56.60 3gqa s SER 604 Cb -0.32 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 3gqa s SER 604 CO 0.77 -0.58 -0.09 -0.94 0.41 0.00 0.00 173.24 172.81 3gqa s SER 605 N -3.38 1.05 -1.62 2.44 1.04 -0.26 -1.49 113.70 111.48 3gqa s SER 605 Ca 0.33 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 3gqa s SER 605 Cb 0.07 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.27 3gqa s SER 605 CO 0.12 -0.22 0.18 0.35 0.98 0.00 0.00 173.24 174.66 3gqa n THR 606 N 1.22 -0.93 -4.40 2.02 -2.24 -0.64 -1.19 114.28 108.12 3gqa n THR 606 Ca -0.21 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 3gqa n THR 606 Cb 0.55 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 3gqa n THR 606 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gqa s SER 607 N -4.12 3.88 -0.10 3.42 0.01 -1.22 -3.19 113.70 112.39 3gqa s SER 607 Ca 0.20 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 3gqa s SER 607 Cb -0.11 -0.48 0.05 0.00 0.21 0.00 0.00 66.02 65.68 3gqa s SER 607 CO 1.00 0.05 0.22 -0.70 0.41 0.00 0.00 173.24 174.22 3gqa s GLU 608 N -3.32 0.18 -0.16 12.44 2.12 -0.03 -1.19 118.70 128.73 3gqa s GLU 608 Ca 0.28 0.50 -0.02 0.00 0.36 0.00 0.00 54.97 56.09 3gqa s GLU 608 Cb -0.06 -0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 3gqa s GLU 608 CO 0.15 -0.17 -0.09 0.00 -0.54 0.00 0.00 175.26 174.62 3gqa s ALA 609 N 1.28 2.75 0.00 6.30 0.00 -0.44 -1.47 121.76 130.18 3gqa s ALA 609 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3gqa s ALA 609 Cb -0.11 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3gqa s ALA 609 CO -0.08 0.02 0.27 1.63 0.00 0.00 0.00 175.76 177.59 3gqa n LYS 610 N 3.95 -0.13 0.00 0.00 5.02 0.07 -0.87 118.16 126.19 3gqa n LYS 610 Ca -0.18 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 3gqa n LYS 610 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 3gqa n LYS 610 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqa n GLY 611 N -0.03 0.54 3.13 0.72 0.00 -1.23 -4.72 105.19 103.59 3gqa n GLY 611 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3gqa n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqa s THR 612 N 2.91 0.16 -1.52 2.61 -4.23 -1.26 -3.60 115.64 110.72 3gqa s THR 612 Ca 0.00 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 3gqa s THR 612 Cb 0.00 -1.20 0.08 0.00 1.34 0.00 0.00 72.50 72.72 3gqa s THR 612 CO 0.00 -0.75 0.88 -1.22 -0.54 0.00 0.00 174.62 172.99 3gqa n TYR 613 N 0.36 -2.12 -3.76 3.99 4.02 -0.26 -0.59 117.16 118.80 3gqa n TYR 613 Ca -0.16 0.87 -0.37 0.00 -0.01 0.00 0.00 57.90 58.23 3gqa n TYR 613 Cb 0.60 -3.86 -0.06 0.00 -0.02 0.00 0.00 39.34 35.99 3gqa n TYR 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3gqa s ASN 614 N -3.53 6.46 -0.11 7.72 0.01 -0.90 -3.50 114.94 121.09 3gqa s ASN 614 Ca 0.54 0.55 0.02 0.00 -0.71 0.00 0.00 52.86 53.25 3gqa s ASN 614 Cb -0.27 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.28 3gqa s ASN 614 CO 0.85 0.35 -0.15 -0.89 -1.51 0.00 0.00 177.10 175.74 3gqa s THR 615 N -0.81 1.52 -0.13 1.60 2.01 -1.19 -1.62 115.64 117.04 3gqa s THR 615 Ca 0.16 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3gqa s THR 615 Cb -0.13 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.02 3gqa s THR 615 CO 0.05 0.45 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 3gqa s ILE 616 N 0.99 1.06 -0.03 1.82 1.01 -0.28 -1.25 121.20 124.52 3gqa s ILE 616 Ca -0.06 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3gqa s ILE 616 Cb -0.15 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 3gqa s ILE 616 CO -0.02 0.32 -0.13 -0.76 0.00 0.00 0.00 174.94 174.35 3gqa s LEU 617 N 1.69 1.90 -1.42 2.97 1.43 -0.50 -0.95 118.68 123.80 3gqa s LEU 617 Ca 0.04 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3gqa s LEU 617 Cb -0.13 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.35 3gqa s LEU 617 CO -0.08 0.13 0.45 0.61 0.23 0.00 0.00 176.35 177.68 3gqa n GLY 618 N 3.09 -0.23 3.31 -3.19 0.00 -0.47 -1.96 105.19 105.73 3gqa n GLY 618 Ca -0.17 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3gqa n GLY 618 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqa s SER 619 N -4.32 1.97 -0.08 1.61 0.01 -1.21 -3.17 113.70 108.51 3gqa s SER 619 Ca 0.04 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.19 3gqa s SER 619 Cb -0.02 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.21 3gqa s SER 619 CO 0.89 -0.39 -0.04 -0.22 0.41 0.00 0.00 173.24 173.88 3gqa s LEU 620 N -3.26 1.03 -1.35 2.44 0.20 -0.18 -1.10 118.68 116.46 3gqa s LEU 620 Ca 0.23 -0.18 -0.07 0.00 0.69 0.00 0.00 54.13 54.80 3gqa s LEU 620 Cb 0.04 -0.60 0.02 0.00 -0.43 0.00 0.00 46.19 45.22 3gqa s LEU 620 CO 0.05 -0.12 1.09 0.61 -0.29 0.00 0.00 176.35 177.70 3gqa n GLY 621 N 4.72 -0.49 3.83 7.98 0.00 -0.33 0.18 105.19 121.07 3gqa n GLY 621 Ca -0.14 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3gqa n GLY 621 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqa s ALA 622 N -3.34 3.72 -0.06 4.61 0.00 -1.25 -2.44 121.76 123.00 3gqa s ALA 622 Ca 0.45 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3gqa s ALA 622 Cb -0.21 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3gqa s ALA 622 CO 0.75 0.61 -0.11 0.08 0.00 0.00 0.00 175.76 177.08 3gqa s VAL 623 N -0.97 1.05 -0.24 0.00 1.01 -0.32 -0.85 120.40 120.08 3gqa s VAL 623 Ca 0.14 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3gqa s VAL 623 Cb -0.12 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.32 3gqa s VAL 623 CO 0.03 0.34 -0.11 0.00 0.00 0.00 0.00 175.10 175.36 3gqa s ALA 624 N 0.72 2.55 -0.07 5.51 0.00 -0.54 -0.71 121.76 129.22 3gqa s ALA 624 Ca -0.14 -1.52 0.13 0.00 0.00 0.00 0.00 51.96 50.43 3gqa s ALA 624 Cb -0.16 -1.52 0.26 0.00 0.00 0.00 0.00 23.12 21.70 3gqa s ALA 624 CO 0.03 -0.85 1.12 -0.40 0.00 0.00 0.00 175.76 175.66 3gqa n ASP 625 N 4.57 1.14 -4.16 0.00 5.68 -0.99 -0.76 116.55 122.04 3gqa n ASP 625 Ca -0.17 -2.63 -0.10 0.00 -0.50 0.00 0.00 54.79 51.40 3gqa n ASP 625 Cb 0.46 -0.34 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 3gqa n ASP 625 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3gqa s GLU 626 N -1.30 0.86 0.16 0.11 2.56 -1.26 -4.38 118.70 115.45 3gqa s GLU 626 Ca 0.24 -1.37 -0.34 0.00 0.00 0.00 0.00 54.97 53.50 3gqa s GLU 626 Cb 0.24 -0.01 -0.14 0.00 2.00 0.00 0.00 34.13 36.21 3gqa s GLU 626 CO -0.05 -0.12 1.56 0.00 -0.56 0.00 0.00 175.26 176.09 3gqa n GLN 627 N -0.06 2.11 -1.02 4.30 10.64 -1.26 -1.84 117.38 130.25 3gqa n GLN 627 Ca -0.10 0.76 -0.01 0.00 -1.83 0.00 0.00 57.00 55.83 3gqa n GLN 627 Cb 0.62 -2.52 -0.00 0.00 -0.86 0.00 0.00 30.24 27.48 3gqa n GLN 627 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3gqa n PHE 628 N 3.31 0.00 -2.49 2.61 3.01 0.24 -1.50 117.46 122.64 3gqa n PHE 628 Ca 0.17 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.26 3gqa n PHE 628 Cb 0.29 -1.46 -0.03 0.00 -0.01 0.00 0.00 39.48 38.26 3gqa n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gqa s ALA 629 N -1.34 3.05 0.08 4.37 0.00 -0.77 -3.73 121.76 123.42 3gqa s ALA 629 Ca 0.00 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 3gqa s ALA 629 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3gqa s ALA 629 CO 0.00 -0.30 0.38 0.00 0.00 0.00 0.00 175.76 175.85 3gqa s ALA 630 N -1.66 -0.90 -0.05 0.00 0.00 0.10 -3.14 121.76 116.12 3gqa s ALA 630 Ca 0.59 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 3gqa s ALA 630 Cb -0.23 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3gqa s ALA 630 CO 0.28 -0.54 0.13 -0.51 0.00 0.00 0.00 175.76 175.12 3gqa s LEU 631 N -2.41 1.16 -0.07 0.00 1.02 -0.38 -1.18 118.68 116.82 3gqa s LEU 631 Ca -0.01 0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.41 3gqa s LEU 631 Cb 0.01 0.38 0.02 0.00 0.02 0.00 0.00 46.19 46.61 3gqa s LEU 631 CO -0.07 -0.09 -0.09 -0.63 0.02 0.00 0.00 176.35 175.49 3gqa s ILE 632 N 0.59 0.94 -1.20 -0.59 1.01 -0.63 -1.41 121.20 119.91 3gqa s ILE 632 Ca -0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3gqa s ILE 632 Cb -0.06 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3gqa s ILE 632 CO -0.03 0.32 0.79 -1.20 0.00 0.00 0.00 174.94 174.83 3gqa n SER 633 N 4.18 -3.55 -4.22 3.58 7.64 -0.83 -1.75 113.62 118.67 3gqa n SER 633 Ca -0.20 -0.84 -0.22 0.00 1.01 0.00 0.00 58.87 58.62 3gqa n SER 633 Cb 0.51 -4.20 -0.13 0.00 -1.01 0.00 0.00 64.21 59.39 3gqa n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gqa s ALA 634 N -3.54 1.49 -0.03 -0.43 0.00 -1.25 -2.00 121.76 116.00 3gqa s ALA 634 Ca 0.23 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3gqa s ALA 634 Cb -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3gqa s ALA 634 CO 0.80 0.28 -0.15 -1.12 0.00 0.00 0.00 175.76 175.57 3gqa s SER 635 N -1.66 1.88 -1.37 0.00 0.01 -0.24 -1.01 113.70 111.32 3gqa s SER 635 Ca 0.03 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 3gqa s SER 635 Cb -0.10 -0.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 3gqa s SER 635 CO 0.03 0.15 0.48 0.00 0.41 0.00 0.00 173.24 174.31 3gqa n GLN 636 N 3.06 -3.37 -4.08 12.44 1.13 0.13 -1.26 117.38 125.42 3gqa n GLN 636 Ca -0.17 0.44 -0.10 0.00 -1.94 0.00 0.00 57.00 55.22 3gqa n GLN 636 Cb 0.54 -4.58 -0.11 0.00 0.11 0.00 0.00 30.24 26.20 3gqa n GLN 636 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3gqa s SER 637 N -4.31 0.75 -0.07 1.08 0.01 -1.02 -2.22 113.70 107.92 3gqa s SER 637 Ca 0.04 -0.75 -0.00 0.00 1.31 0.00 0.00 55.95 56.54 3gqa s SER 637 Cb -0.01 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.34 3gqa s SER 637 CO 0.88 -0.37 -0.04 -0.60 0.41 0.00 0.00 173.24 173.52 3gqa s ARG 638 N -2.64 0.93 -0.38 12.44 3.52 -0.34 -1.17 118.95 131.31 3gqa s ARG 638 Ca -0.02 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 3gqa s ARG 638 Cb -0.02 -1.09 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 3gqa s ARG 638 CO -0.03 -0.21 0.23 0.00 -0.81 0.00 0.00 175.30 174.48 3gqa s ALA 639 N 1.54 3.35 -0.17 6.12 0.00 0.11 -1.16 121.76 131.56 3gqa s ALA 639 Ca -0.01 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 50.32 3gqa s ALA 639 Cb -0.13 -2.68 0.10 0.00 0.00 0.00 0.00 23.12 20.42 3gqa s ALA 639 CO -0.04 -1.36 1.07 0.43 0.00 0.00 0.00 175.76 175.87 3gqa n SER 640 N 5.05 2.26 -4.94 0.00 7.64 0.33 -2.33 113.62 121.62 3gqa n SER 640 Ca -0.12 -2.18 -0.24 0.00 1.01 0.00 0.00 58.87 57.35 3gqa n SER 640 Cb 0.47 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 3gqa n SER 640 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gqa s GLY 641 N -1.28 1.35 -0.19 0.23 0.00 -1.23 -4.64 107.32 101.56 3gqa s GLY 641 Ca 0.09 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 3gqa s GLY 641 CO 0.03 -0.88 1.41 0.21 0.00 0.00 0.00 173.10 173.87 3gqa s ASN 642 N -4.05 6.72 -1.50 1.64 2.47 -1.25 -2.67 114.94 116.30 3gqa s ASN 642 Ca 0.40 1.66 -0.06 0.00 0.42 0.00 0.00 52.86 55.28 3gqa s ASN 642 Cb -0.10 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 3gqa s ASN 642 CO 0.36 -0.97 0.71 1.41 -3.72 0.00 0.00 177.10 174.89 3gqa n HIS 643 N 7.32 -2.13 -3.44 0.43 8.25 -0.57 -0.05 115.22 125.04 3gqa n HIS 643 Ca 0.16 0.62 -0.39 0.00 -0.26 0.00 0.00 57.72 57.84 3gqa n HIS 643 Cb 0.45 -4.41 -0.10 0.00 1.12 0.00 0.00 29.99 27.05 3gqa n HIS 643 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3gqa s ASN 644 N -2.83 6.18 -0.12 0.41 2.47 -1.09 -3.65 114.94 116.31 3gqa s ASN 644 Ca 0.38 0.12 -0.00 0.00 0.42 0.00 0.00 52.86 53.78 3gqa s ASN 644 Cb -0.17 -2.19 -0.02 0.00 -1.45 0.00 0.00 41.25 37.42 3gqa s ASN 644 CO 0.47 -0.18 -0.11 -0.22 -3.72 0.00 0.00 177.10 173.33 3gqa s LEU 645 N 1.99 2.84 -0.12 3.21 2.96 -0.64 -0.72 118.68 128.21 3gqa s LEU 645 Ca 0.13 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3gqa s LEU 645 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3gqa s LEU 645 CO 0.11 0.20 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.68 3gqa s ILE 646 N 0.17 4.08 0.02 6.68 1.01 -0.33 -0.44 121.20 132.39 3gqa s ILE 646 Ca -0.06 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3gqa s ILE 646 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3gqa s ILE 646 CO 0.04 0.54 -0.18 -0.76 0.00 0.00 0.00 174.94 174.59 3gqa s LEU 647 N -0.24 2.11 -1.25 2.97 1.43 -0.54 -1.60 118.68 121.55 3gqa s LEU 647 Ca 0.05 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 3gqa s LEU 647 Cb -0.13 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 3gqa s LEU 647 CO 0.02 0.16 0.65 -1.20 0.23 0.00 0.00 176.35 176.21 3gqa n SER 648 N 2.23 -3.09 -4.18 2.29 7.64 -0.72 -4.47 113.62 113.32 3gqa n SER 648 Ca -0.16 -1.00 -0.11 0.00 1.01 0.00 0.00 58.87 58.61 3gqa n SER 648 Cb 0.54 -3.28 -0.10 0.00 -1.01 0.00 0.00 64.21 60.36 3gqa n SER 648 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gqa s SER 649 N -3.88 1.05 -0.04 6.43 0.01 -0.85 -4.54 113.70 111.88 3gqa s SER 649 Ca 0.26 -1.06 0.02 0.00 1.31 0.00 0.00 55.95 56.48 3gqa s SER 649 Cb -0.10 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.27 3gqa s SER 649 CO 0.87 -0.52 -0.08 -0.47 0.41 0.00 0.00 173.24 173.45 3gqa s TYR 650 N -3.68 1.00 -1.03 2.43 5.04 -0.49 -1.08 117.35 119.54 3gqa s TYR 650 Ca 0.15 -0.29 -0.05 0.00 -2.44 0.00 0.00 57.07 54.44 3gqa s TYR 650 Cb 0.06 -0.75 0.01 0.00 0.35 0.00 0.00 41.96 41.62 3gqa s TYR 650 CO -0.03 -0.16 0.89 0.41 -1.34 0.00 0.00 175.55 175.32 3gqa n GLY 651 N 3.60 -0.20 3.27 8.97 0.00 -0.39 -0.09 105.19 120.35 3gqa n GLY 651 Ca -0.21 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3gqa n GLY 651 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gqa s ILE 652 N -3.25 1.63 -0.13 -0.61 -4.36 -1.22 -3.55 121.20 109.71 3gqa s ILE 652 Ca 0.36 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 3gqa s ILE 652 Cb -0.16 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.07 3gqa s ILE 652 CO 0.56 -0.09 -0.16 0.20 0.24 0.00 0.00 174.94 175.70 3gqa s ASN 653 N -1.90 2.61 0.17 4.36 0.01 -1.26 -1.20 114.94 117.73 3gqa s ASN 653 Ca 0.05 -0.47 0.10 0.00 -0.71 0.00 0.00 52.86 51.83 3gqa s ASN 653 Cb -0.10 -1.17 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 3gqa s ASN 653 CO 0.04 -0.01 -0.21 0.42 -1.51 0.00 0.00 177.10 175.83 3gqa s THR 654 N 1.16 2.05 0.00 1.60 -4.23 -0.31 -4.95 115.64 110.97 3gqa s THR 654 Ca -0.02 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3gqa s THR 654 Cb -0.14 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3gqa s THR 654 CO -0.05 -0.19 0.06 1.07 -0.54 0.00 0.00 174.62 174.97 3gqa n THR 655 N 0.37 0.00 -2.55 3.99 5.66 -1.26 -0.51 114.28 119.98 3gqa n THR 655 Ca -0.14 -0.08 -0.33 0.00 -3.05 0.00 0.00 64.05 60.46 3gqa n THR 655 Cb 0.56 1.65 -0.05 0.00 -1.55 0.00 0.00 70.33 70.95 3gqa n THR 655 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3gqa s GLY 656 N -0.04 2.21 -0.01 1.09 0.00 -1.26 -4.12 107.32 105.19 3gqa s GLY 656 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 3gqa s GLY 656 CO 0.00 0.57 0.65 -0.56 0.00 0.00 0.00 173.10 173.76 3gqa s SER 657 N -2.69 7.03 -1.34 1.64 0.01 -1.26 -3.77 113.70 113.33 3gqa s SER 657 Ca 0.60 1.23 -0.02 0.00 1.31 0.00 0.00 55.95 59.07 3gqa s SER 657 Cb -0.10 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.75 3gqa s SER 657 CO 0.24 0.04 0.77 -1.22 0.41 0.00 0.00 173.24 173.48 3gqa n TYR 658 N 2.95 -2.01 -4.91 2.43 4.02 0.93 -4.57 117.16 116.00 3gqa n TYR 658 Ca -0.05 0.86 -0.26 0.00 -0.01 0.00 0.00 57.90 58.44 3gqa n TYR 658 Cb 0.51 -4.39 -0.15 0.00 -0.02 0.00 0.00 39.34 35.28 3gqa n TYR 658 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3gqa s LYS 659 N -6.05 1.57 -0.19 -0.72 -0.14 -1.24 -0.95 119.74 112.03 3gqa s LYS 659 Ca 0.12 -0.74 -0.09 0.00 -1.36 0.00 0.00 55.97 53.89 3gqa s LYS 659 Cb -0.06 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.51 3gqa s LYS 659 CO 0.81 0.42 0.12 0.08 -0.76 0.00 0.00 175.35 176.02 3gqa s VAL 660 N -0.52 5.32 0.12 3.17 1.01 -0.42 -1.62 120.40 127.47 3gqa s VAL 660 Ca 0.08 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3gqa s VAL 660 Cb -0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3gqa s VAL 660 CO -0.00 0.47 -0.15 0.20 0.00 0.00 0.00 175.10 175.62 3gqa s ASN 661 N 0.16 2.07 0.05 3.32 0.01 0.42 -0.82 114.94 120.14 3gqa s ASN 661 Ca 0.08 -0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 51.40 3gqa s ASN 661 Cb -0.11 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.44 3gqa s ASN 661 CO -0.01 -0.13 0.02 -0.83 -1.51 0.00 0.00 177.10 174.64 3gqa s GLY 662 N -2.44 0.32 -0.05 0.66 0.00 -1.02 -1.47 107.32 103.32 3gqa s GLY 662 Ca 0.09 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 3gqa s GLY 662 CO 0.03 -1.01 1.32 -0.32 0.00 0.00 0.00 173.10 173.13 3gqa s GLY 663 N -2.47 -0.17 -0.30 0.20 0.00 -1.26 -1.13 107.32 102.19 3gqa s GLY 663 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.82 3gqa s GLY 663 CO -0.07 6.06 0.30 -0.12 0.00 0.00 0.00 173.10 179.26 3gqa s PHE 664 N -2.02 -0.43 0.00 1.90 5.36 -1.23 -1.40 117.98 120.16 3gqa s PHE 664 Ca 0.30 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 3gqa s PHE 664 Cb -0.00 -0.47 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 3gqa s PHE 664 CO -0.02 -0.92 0.00 0.39 -1.46 0.00 0.00 175.22 173.21 3gqa n GLU 665 N 5.23 0.00 -3.92 10.12 1.02 0.87 -4.84 120.64 129.12 3gqa n GLU 665 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 3gqa n GLU 665 Cb 0.46 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.53 3gqa n GLU 665 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gqa s LYS 666 N 0.00 0.62 0.17 3.49 1.02 -1.26 -4.80 119.74 118.98 3gqa s LYS 666 Ca 0.00 -0.78 -0.32 0.00 0.02 0.00 0.00 55.97 54.90 3gqa s LYS 666 Cb 0.00 0.25 -0.11 0.00 -0.52 0.00 0.00 37.83 37.45 3gqa s LYS 666 CO 0.00 -0.16 1.68 0.42 -0.92 0.00 0.00 175.35 176.37 3gqa s ILE 667 N -2.77 2.39 -0.05 2.17 1.01 -1.26 -4.44 121.20 118.24 3gqa s ILE 667 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3gqa s ILE 667 Cb -0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3gqa s ILE 667 CO -0.05 0.01 0.07 0.59 0.00 0.00 0.00 174.94 175.56 3gqa n ASN 668 N 4.35 2.21 -3.59 3.58 5.03 -0.28 -4.83 115.26 121.73 3gqa n ASN 668 Ca 0.15 -0.29 -0.12 0.00 0.87 0.00 0.00 54.58 55.19 3gqa n ASN 668 Cb 0.37 1.05 -0.05 0.00 -1.02 0.00 0.00 39.78 40.13 3gqa n ASN 668 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3gqa s TRP 669 N -1.66 -0.34 -0.12 3.10 1.48 -0.97 -1.15 118.94 119.29 3gqa s TRP 669 Ca 0.00 0.22 -0.08 0.00 -1.06 0.00 0.00 56.10 55.18 3gqa s TRP 669 Cb 0.02 0.32 0.04 0.00 -1.16 0.00 0.00 33.47 32.69 3gqa s TRP 669 CO 0.09 -0.68 0.29 -2.00 -4.06 0.00 0.00 176.95 170.59 3gqa s GLU 670 N -3.08 0.29 -0.31 3.25 2.12 -0.23 -2.43 118.70 118.31 3gqa s GLU 670 Ca -0.02 0.51 -0.07 0.00 0.36 0.00 0.00 54.97 55.76 3gqa s GLU 670 Cb 0.00 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.44 3gqa s GLU 670 CO -0.07 -0.11 0.08 -0.51 -0.54 0.00 0.00 175.26 174.12 3gqa s LEU 671 N 0.77 3.98 -0.60 2.70 1.43 -0.00 -1.47 118.68 125.49 3gqa s LEU 671 Ca -0.05 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 3gqa s LEU 671 Cb -0.06 -1.87 0.15 0.00 0.03 0.00 0.00 46.19 44.44 3gqa s LEU 671 CO -0.05 -0.23 0.53 -0.62 0.23 0.00 0.00 176.35 176.21 3gqa s ASP 672 N 1.47 6.20 0.49 2.29 3.68 0.42 -1.30 116.67 129.92 3gqa s ASP 672 Ca 0.01 -2.08 0.25 0.00 2.13 0.00 0.00 52.55 52.86 3gqa s ASP 672 Cb -0.18 -2.16 1.26 0.00 -1.45 0.00 0.00 42.92 40.40 3gqa s ASP 672 CO 0.02 -0.74 2.00 0.28 0.13 0.00 0.00 175.17 176.86 3gqa h SER 673 N 8.45 0.00 0.04 -0.34 0.02 -1.33 0.12 113.55 120.51 3gqa h SER 673 Ca -0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3gqa h SER 673 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3gqa h SER 673 CO 0.92 0.17 -0.02 0.25 -1.14 0.00 0.00 176.83 177.01 3gqa h LEU 674 N 0.00 -0.05 -0.53 5.07 6.46 -1.79 -3.36 115.31 121.11 3gqa h LEU 674 Ca -0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 3gqa h LEU 674 Cb 0.45 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3gqa h LEU 674 CO 0.02 0.40 -0.36 0.59 -0.62 0.00 0.00 178.44 178.47 3gqa n ASN 675 N -4.91 1.09 -1.83 1.25 3.02 -1.22 -5.02 115.26 107.65 3gqa n ASN 675 Ca -0.08 -1.05 -0.10 0.00 -0.03 0.00 0.00 54.58 53.32 3gqa n ASN 675 Cb 0.24 0.65 0.03 0.00 -0.61 0.00 0.00 39.78 40.09 3gqa n ASN 675 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqa n GLY 676 N 1.09 0.31 3.58 7.41 0.00 0.42 -5.04 105.19 112.95 3gqa n GLY 676 Ca 0.04 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3gqa n GLY 676 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqa s ARG 677 N -5.53 2.44 -0.10 1.61 0.52 -1.14 -4.98 118.95 111.78 3gqa s ARG 677 Ca 0.24 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3gqa s ARG 677 Cb -0.11 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3gqa s ARG 677 CO 0.31 0.58 -0.20 0.42 0.02 0.00 0.00 175.30 176.43 3gqa s ILE 678 N -1.03 1.80 -0.04 1.52 1.01 -1.26 -0.43 121.20 122.76 3gqa s ILE 678 Ca 0.18 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3gqa s ILE 678 Cb -0.11 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3gqa s ILE 678 CO 0.09 0.50 -0.10 -0.54 0.00 0.00 0.00 174.94 174.89 3gqa s LYS 679 N 0.50 1.22 0.08 2.79 1.02 -0.54 -5.00 119.74 119.80 3gqa s LYS 679 Ca -0.16 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.57 3gqa s LYS 679 Cb -0.17 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 3gqa s LYS 679 CO 0.06 0.09 -0.18 0.00 -0.92 0.00 0.00 175.35 174.40 3gqa s ALA 680 N 0.37 2.64 0.10 5.17 0.00 -1.26 -1.07 121.76 127.71 3gqa s ALA 680 Ca -0.07 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.45 3gqa s ALA 680 Cb -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 3gqa s ALA 680 CO 0.01 0.58 1.56 -0.09 0.00 0.00 0.00 175.76 177.82 3gqa h ARG 681 N 4.14 0.55 0.00 0.00 2.43 -1.45 -3.44 114.38 116.61 3gqa h ARG 681 Ca -0.49 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3gqa h ARG 681 Cb 1.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3gqa h ARG 681 CO 0.47 0.67 0.00 -3.47 -1.51 0.00 0.00 179.97 176.13 3gqa n ASP 682 N -4.57 0.00 -4.66 -3.80 2.03 -1.26 -5.09 116.55 99.21 3gqa n ASP 682 Ca -0.02 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.02 3gqa n ASP 682 Cb 0.25 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.57 3gqa n ASP 682 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gqa s THR 683 N 1.52 3.69 -0.16 5.18 -4.23 -1.26 -5.11 115.64 115.26 3gqa s THR 683 Ca 0.00 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3gqa s THR 683 Cb 0.00 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.01 3gqa s THR 683 CO 0.00 -0.10 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.08 3gqa s VAL 684 N -1.71 2.05 0.02 2.29 1.01 -1.26 -4.85 120.40 117.94 3gqa s VAL 684 Ca 0.27 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3gqa s VAL 684 Cb -0.09 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3gqa s VAL 684 CO 0.18 0.54 0.01 0.42 0.00 0.00 0.00 175.10 176.26 3gqa s THR 685 N 1.09 0.11 0.32 3.92 -4.23 -1.26 -5.16 115.64 110.43 3gqa s THR 685 Ca -0.00 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 3gqa s THR 685 Cb -0.14 -0.40 0.04 0.00 1.34 0.00 0.00 72.50 73.33 3gqa s THR 685 CO -0.08 -0.51 0.29 0.61 -0.54 0.00 0.00 174.62 174.39 3gqa n GLY 686 N 1.44 2.64 2.24 3.99 0.00 -1.26 -4.78 105.19 109.46 3gqa n GLY 686 Ca -0.23 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.44 3gqa n GLY 686 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqa n GLY 687 N 1.14 -0.06 3.91 -0.02 0.00 -1.26 -5.00 105.19 103.89 3gqa n GLY 687 Ca 0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3gqa n GLY 687 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqa s ASN 688 N -2.47 6.43 0.14 1.61 0.01 -1.26 -5.11 114.94 114.29 3gqa s ASN 688 Ca 0.00 0.72 0.03 0.00 -0.71 0.00 0.00 52.86 52.90 3gqa s ASN 688 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3gqa s ASN 688 CO 0.00 -0.23 -0.06 0.28 -1.51 0.00 0.00 177.10 175.58 3gqa s THR 689 N -2.14 0.86 -0.75 1.60 -1.32 -1.26 -5.09 115.64 107.54 3gqa s THR 689 Ca 0.44 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 3gqa s THR 689 Cb -0.11 -1.86 0.35 0.00 -1.51 0.00 0.00 72.50 69.37 3gqa s THR 689 CO 0.31 -0.72 1.44 0.79 -2.21 0.00 0.00 174.62 174.23 3gqa n TRP 690 N -0.15 3.36 -1.83 9.09 8.01 -1.26 -5.28 117.44 129.38 3gqa n TRP 690 Ca -0.10 -3.11 0.00 0.00 -1.31 0.00 0.00 57.50 52.98 3gqa n TRP 690 Cb 0.61 -0.78 0.00 0.00 -2.01 0.00 0.00 31.31 29.14 3gqa n TRP 690 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55