#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe n SER 73 N 0.00 4.88 -4.28 1.61 2.88 -1.26 -5.03 113.62 112.43 2yqe n SER 73 Ca 0.00 -3.74 -0.27 0.00 -1.33 0.00 0.00 58.87 53.52 2yqe n SER 73 Cb 0.00 -0.37 -0.14 0.00 -0.75 0.00 0.00 64.21 62.95 2yqe n SER 73 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yqe s SER 74 N -3.58 2.71 -0.28 -3.46 1.04 -1.26 -5.12 113.70 103.75 2yqe s SER 74 Ca 0.50 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 2yqe s SER 74 Cb 0.41 -0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.44 2yqe s SER 74 CO -0.01 0.21 0.53 -0.83 0.98 0.00 0.00 173.24 174.11 2yqe s GLY 75 N -1.11 -0.75 -0.03 7.32 0.00 -1.26 -5.05 107.32 106.45 2yqe s GLY 75 Ca 0.09 1.60 -0.13 0.00 0.00 0.00 0.00 44.72 46.28 2yqe s GLY 75 CO 0.02 3.06 0.62 1.76 0.00 0.00 0.00 173.10 178.56 2yqe h SER 76 N 8.07 -0.40 0.01 1.64 0.02 -2.06 -3.39 113.55 117.44 2yqe h SER 76 Ca -0.21 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2yqe h SER 76 Cb 1.15 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2yqe h SER 76 CO 0.24 -0.05 -0.00 -1.28 -1.14 0.00 0.00 176.83 174.59 2yqe h SER 77 N -0.94 -0.01 -4.58 3.07 0.87 -2.08 -3.51 113.55 106.37 2yqe h SER 77 Ca -0.05 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2yqe h SER 77 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2yqe h SER 77 CO 0.08 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 177.84 2yqe n GLY 78 N 1.46 -3.52 3.28 5.77 0.00 -1.26 -4.78 105.19 106.14 2yqe n GLY 78 Ca -0.08 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 2yqe n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yqe s THR 79 N -1.00 5.20 -0.01 2.61 2.01 -1.26 -4.80 115.64 118.39 2yqe s THR 79 Ca 0.00 -2.55 -0.06 0.00 0.31 0.00 0.00 61.69 59.39 2yqe s THR 79 Cb 0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2yqe s THR 79 CO 0.00 -0.99 -0.12 0.54 -0.69 0.00 0.00 174.62 173.36 2yqe n ARG 80 N 3.90 0.18 0.04 4.92 5.12 -1.26 -4.80 116.66 124.76 2yqe n ARG 80 Ca 0.12 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.91 2yqe n ARG 80 Cb 0.45 -0.81 -0.12 0.00 -1.16 0.00 0.00 32.46 30.82 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yqe h VAL 81 N -0.33 1.36 -1.52 1.55 2.07 -1.98 -3.27 116.25 114.12 2yqe h VAL 81 Ca -0.03 -2.26 0.46 0.00 0.82 0.00 0.00 66.70 65.69 2yqe h VAL 81 Cb 0.45 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.76 2yqe h VAL 81 CO -0.02 0.68 1.07 0.29 0.02 0.00 0.00 177.57 179.61 2yqe n LYS 82 N -4.00 -0.01 -0.03 1.57 4.01 -1.26 0.14 118.16 118.57 2yqe n LYS 82 Ca -0.12 0.92 -0.12 0.00 -0.51 0.00 0.00 58.31 58.49 2yqe n LYS 82 Cb 0.82 -2.05 -0.10 0.00 -0.51 0.00 0.00 35.03 33.19 2yqe n LYS 82 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2yqe h LEU 83 N 0.00 -0.03 -0.46 -0.35 3.38 -1.87 -3.29 115.31 112.68 2yqe h LEU 83 Ca 0.76 -0.69 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2yqe h LEU 83 Cb 2.94 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 43.65 2yqe h LEU 83 CO -0.09 0.74 -0.27 -3.20 0.09 0.00 0.00 178.44 175.70 2yqe n ASN 84 N -4.73 -0.49 -0.34 -0.43 2.85 0.36 0.95 115.26 113.44 2yqe n ASN 84 Ca -0.08 1.28 0.23 0.00 -0.11 0.00 0.00 54.58 55.89 2yqe n ASN 84 Cb 0.35 -0.33 0.46 0.00 1.24 0.00 0.00 39.78 41.50 2yqe n ASN 84 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2yqe h TYR 85 N 0.00 0.94 0.32 1.20 3.20 -1.69 -0.11 116.97 120.83 2yqe h TYR 85 Ca 0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2yqe h TYR 85 Cb 0.19 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2yqe h TYR 85 CO -0.90 -0.13 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.26 2yqe h LEU 86 N 0.37 -0.36 -1.63 2.82 3.38 0.51 -2.04 115.31 118.36 2yqe h LEU 86 Ca 0.72 0.01 0.32 0.00 0.09 0.00 0.00 57.88 59.03 2yqe h LEU 86 Cb 1.61 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.41 2yqe h LEU 86 CO -0.58 -0.10 1.02 0.44 0.09 0.00 0.00 178.44 179.32 2yqe h ASP 87 N -0.75 0.00 0.02 -0.43 3.32 0.44 0.01 116.42 119.03 2yqe h ASP 87 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2yqe h ASP 87 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2yqe h ASP 87 CO 0.07 0.00 -0.01 1.56 -1.72 0.00 0.00 179.24 179.14 2yqe h GLN 88 N 0.00 -0.03 -0.92 3.56 1.08 -1.00 -2.69 115.11 115.11 2yqe h GLN 88 Ca 0.53 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.99 2yqe h GLN 88 Cb 2.57 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 29.87 2yqe h GLN 88 CO -0.01 -0.02 0.35 0.97 -0.95 0.00 0.00 178.83 179.17 2yqe h ILE 89 N -0.25 0.33 0.31 2.54 2.10 -0.56 -0.23 117.51 121.75 2yqe h ILE 89 Ca -0.00 -0.09 -0.02 0.00 1.08 0.00 0.00 64.86 65.83 2yqe h ILE 89 Cb 0.02 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.80 2yqe h ILE 89 CO 0.01 0.05 -0.15 0.00 -1.08 0.00 0.00 178.15 176.98 2yqe h ALA 90 N 1.79 -0.41 -0.98 0.18 0.00 -1.18 -2.58 119.26 116.08 2yqe h ALA 90 Ca 0.60 -0.13 0.35 0.00 0.00 0.00 0.00 54.91 55.73 2yqe h ALA 90 Cb 1.26 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 2yqe h ALA 90 CO -0.62 -0.67 0.43 -0.22 0.00 0.00 0.00 179.25 178.17 2yqe h LYS 91 N -0.53 0.12 -0.28 0.00 3.64 -0.69 0.70 116.57 119.53 2yqe h LYS 91 Ca -0.04 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2yqe h LYS 91 Cb 0.39 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2yqe h LYS 91 CO 0.07 0.08 -0.17 0.35 -2.27 0.00 0.00 179.45 177.50 2yqe h PHE 92 N 0.12 0.71 0.50 1.91 3.57 -1.25 -3.13 116.94 119.37 2yqe h PHE 92 Ca 0.74 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 62.03 2yqe h PHE 92 Cb 1.79 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.38 2yqe h PHE 92 CO -0.12 0.87 -0.24 -1.49 -2.23 0.00 0.00 178.31 175.11 2yqe h TRP 93 N 0.35 -0.62 -0.82 0.41 4.06 0.68 -2.51 115.95 117.50 2yqe h TRP 93 Ca 0.06 -0.01 0.32 0.00 2.06 0.00 0.00 58.89 61.31 2yqe h TRP 93 Cb 0.70 0.20 -0.15 0.00 -1.00 0.00 0.00 29.16 28.92 2yqe h TRP 93 CO 0.06 -0.38 0.35 -0.85 -3.56 0.00 0.00 178.44 174.06 2yqe n GLU 94 N -3.96 -0.05 0.01 0.49 0.28 0.14 0.14 120.64 117.68 2yqe n GLU 94 Ca -0.08 1.15 -0.12 0.00 -0.16 0.00 0.00 57.16 57.94 2yqe n GLU 94 Cb 0.26 -2.01 -0.08 0.00 1.43 0.00 0.00 31.44 31.04 2yqe n GLU 94 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2yqe h ILE 95 N 0.00 1.20 -0.78 3.84 2.04 -1.46 -3.06 117.51 119.28 2yqe h ILE 95 Ca 0.65 -0.61 0.17 0.00 1.00 0.00 0.00 64.86 66.08 2yqe h ILE 95 Cb 1.67 1.59 -0.11 0.00 -0.74 0.00 0.00 36.82 39.23 2yqe h ILE 95 CO -0.66 0.16 0.27 1.56 0.00 0.00 0.00 178.15 179.48 2yqe h GLN 96 N -0.23 0.35 0.00 2.37 1.08 0.16 -3.46 115.11 115.38 2yqe h GLN 96 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2yqe h GLN 96 Cb 0.26 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2yqe h GLN 96 CO 0.00 0.23 0.00 0.41 -0.95 0.00 0.00 178.83 178.52 2yqe n GLY 97 N -1.34 2.93 3.73 3.46 0.00 -0.86 -5.12 105.19 107.99 2yqe n GLY 97 Ca 0.16 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2yqe n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqe s SER 98 N 0.00 6.80 0.96 1.61 0.15 -1.26 -4.89 113.70 117.08 2yqe s SER 98 Ca 0.00 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.50 2yqe s SER 98 Cb 0.00 -2.33 0.17 0.00 -1.71 0.00 0.00 66.02 62.15 2yqe s SER 98 CO 0.00 -0.01 1.09 -0.44 1.20 0.00 0.00 173.24 175.08 2yqe s SER 99 N 0.51 2.75 0.26 5.45 0.01 -1.26 -3.89 113.70 117.52 2yqe s SER 99 Ca 0.29 1.70 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 2yqe s SER 99 Cb -0.16 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2yqe s SER 99 CO 0.13 -3.13 0.51 -0.22 0.41 0.00 0.00 173.24 170.94 2yqe s LEU 100 N -6.56 4.11 -0.09 2.44 2.96 -1.26 -4.91 118.68 115.37 2yqe s LEU 100 Ca 0.65 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2yqe s LEU 100 Cb -0.21 -3.45 0.05 0.00 0.50 0.00 0.00 46.19 43.08 2yqe s LEU 100 CO 0.59 -0.14 0.20 -0.54 -1.32 0.00 0.00 176.35 175.14 2yqe s LYS 101 N -3.42 0.13 -0.21 1.98 -0.14 -1.26 -5.12 119.74 111.70 2yqe s LYS 101 Ca 0.43 0.53 -0.20 0.00 -1.36 0.00 0.00 55.97 55.36 2yqe s LYS 101 Cb -0.11 -0.15 -0.02 0.00 -1.68 0.00 0.00 37.83 35.86 2yqe s LYS 101 CO 0.29 -0.21 0.61 0.42 -0.76 0.00 0.00 175.35 175.70 2yqe s ILE 102 N 1.62 5.02 0.81 2.17 1.09 -1.26 -5.06 121.20 125.60 2yqe s ILE 102 Ca -0.05 1.14 -0.11 0.00 -1.10 0.00 0.00 60.65 60.53 2yqe s ILE 102 Cb -0.11 -3.93 0.08 0.00 -1.06 0.00 0.00 42.46 37.44 2yqe s ILE 102 CO -0.07 0.10 1.09 -2.16 -0.10 0.00 0.00 174.94 173.80 2yqe s PRO 103 N 2.02 1.96 -0.22 2.79 0.04 -1.26 -4.92 135.00 135.42 2yqe s PRO 103 Ca 0.27 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.38 2yqe s PRO 103 Cb -0.16 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2yqe s PRO 103 CO 0.10 -1.82 -0.12 -0.80 0.04 0.00 0.00 177.00 174.39 2yqe s ASN 104 N -3.40 3.82 -0.01 6.66 -0.87 -1.26 -2.93 114.94 116.95 2yqe s ASN 104 Ca 0.62 -0.74 0.07 0.00 -1.57 0.00 0.00 52.86 51.25 2yqe s ASN 104 Cb -0.17 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.25 39.45 2yqe s ASN 104 CO 0.56 -0.06 -0.24 -0.69 -2.57 0.00 0.00 177.10 174.10 2yqe s VAL 105 N 1.32 1.89 -1.17 1.60 1.01 -0.74 -4.77 120.40 119.54 2yqe s VAL 105 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2yqe s VAL 105 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2yqe s VAL 105 CO -0.08 0.52 0.84 -0.62 0.00 0.00 0.00 175.10 175.77 2yqe n GLU 106 N 2.45 -3.73 -3.94 2.72 -0.58 -1.26 -1.87 120.64 114.43 2yqe n GLU 106 Ca -0.16 0.71 -0.34 0.00 -0.42 0.00 0.00 57.16 56.96 2yqe n GLU 106 Cb 0.52 -5.33 -0.06 0.00 -0.57 0.00 0.00 31.44 26.00 2yqe n GLU 106 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2yqe n ARG 107 N -3.90 -0.92 -3.58 3.49 1.85 -1.26 -4.85 116.66 107.49 2yqe n ARG 107 Ca -0.19 0.11 -0.17 0.00 -1.00 0.00 0.00 57.85 56.60 2yqe n ARG 107 Cb 0.64 -4.02 -0.07 0.00 -1.05 0.00 0.00 32.46 27.97 2yqe n ARG 107 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2yqe s LYS 108 N -6.16 0.97 0.33 2.89 1.02 -0.78 -5.14 119.74 112.86 2yqe s LYS 108 Ca 0.66 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.50 2yqe s LYS 108 Cb -0.38 0.45 -0.13 0.00 -0.52 0.00 0.00 37.83 37.25 2yqe s LYS 108 CO 0.80 -0.30 1.23 1.51 -0.92 0.00 0.00 175.35 177.67 2yqe n ILE 109 N 0.98 2.00 -2.95 2.17 3.06 -1.26 -1.79 119.36 121.57 2yqe n ILE 109 Ca -0.20 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.14 2yqe n ILE 109 Cb 0.57 -1.45 -0.05 0.00 0.54 0.00 0.00 39.64 39.25 2yqe n ILE 109 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2yqe s LEU 110 N -0.71 4.08 -1.00 9.51 0.20 -1.15 -4.76 118.68 124.86 2yqe s LEU 110 Ca 0.56 0.85 -0.19 0.00 0.69 0.00 0.00 54.13 56.04 2yqe s LEU 110 Cb -0.60 -3.08 0.11 0.00 -0.43 0.00 0.00 46.19 42.19 2yqe s LEU 110 CO 0.62 -0.52 1.26 -0.62 -0.29 0.00 0.00 176.35 176.80 2yqe s ASP 111 N 1.45 6.65 0.45 3.68 -1.08 -1.26 -4.80 116.67 121.76 2yqe s ASP 111 Ca 0.32 -2.01 0.25 0.00 -0.52 0.00 0.00 52.55 50.60 2yqe s ASP 111 Cb -0.15 -2.45 0.82 0.00 -1.46 0.00 0.00 42.92 39.69 2yqe s ASP 111 CO 0.09 -1.15 1.78 0.17 0.52 0.00 0.00 175.17 176.58 2yqe h LEU 112 N 11.03 0.00 0.45 -1.34 -0.00 -1.96 -3.19 115.31 120.30 2yqe h LEU 112 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 2yqe h LEU 112 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2yqe h LEU 112 CO 1.22 0.16 -0.23 0.22 -0.00 0.00 0.00 178.44 179.80 2yqe h TYR 113 N 0.00 -0.61 0.50 0.17 3.20 -1.89 -2.92 116.97 115.43 2yqe h TYR 113 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2yqe h TYR 113 Cb 0.81 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2yqe h TYR 113 CO 0.00 -0.37 -0.24 0.66 -1.64 0.00 0.00 178.16 176.57 2yqe h SER 114 N -0.63 -0.57 -0.73 -2.11 4.64 -1.97 -2.32 113.55 109.85 2yqe h SER 114 Ca -0.06 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2yqe h SER 114 Cb 0.50 0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.64 2yqe h SER 114 CO 0.09 -0.37 -0.41 -0.11 -0.87 0.00 0.00 176.83 175.16 2yqe n LEU 115 N -5.36 -0.74 0.33 5.97 7.94 -1.20 -0.22 117.00 123.71 2yqe n LEU 115 Ca -0.12 1.30 -0.17 0.00 -1.11 0.00 0.00 56.01 55.91 2yqe n LEU 115 Cb 0.29 -0.18 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 2yqe n LEU 115 CO 0.36 -1.07 0.68 -1.28 -1.11 0.00 0.00 177.39 174.97 2yqe h SER 116 N 0.00 -0.67 -0.91 1.96 0.87 -1.47 -2.11 113.55 111.21 2yqe h SER 116 Ca 0.13 0.02 0.25 0.00 -1.23 0.00 0.00 61.79 60.97 2yqe h SER 116 Cb 0.32 0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 62.29 2yqe h SER 116 CO -0.69 -0.48 0.14 0.11 -0.53 0.00 0.00 176.83 175.37 2yqe h LYS 117 N -0.79 0.10 -0.34 2.24 1.79 -0.12 0.32 116.57 119.77 2yqe h LYS 117 Ca -0.08 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2yqe h LYS 117 Cb 0.61 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2yqe h LYS 117 CO 0.13 0.07 0.13 0.82 -1.08 0.00 0.00 179.45 179.52 2yqe h ILE 118 N 0.10 1.19 -0.08 1.86 2.04 -0.33 -2.22 117.51 120.07 2yqe h ILE 118 Ca 0.56 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2yqe h ILE 118 Cb 1.15 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 2yqe h ILE 118 CO -0.76 0.21 -0.36 0.58 0.00 0.00 0.00 178.15 177.81 2yqe h VAL 119 N 0.40 0.23 -0.47 1.67 2.07 0.29 0.12 116.25 120.56 2yqe h VAL 119 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2yqe h VAL 119 Cb 0.20 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2yqe h VAL 119 CO -0.01 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.17 2yqe h ILE 120 N -0.47 0.89 0.39 4.57 2.04 -1.31 -2.59 117.51 121.04 2yqe h ILE 120 Ca 0.08 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2yqe h ILE 120 Cb 0.59 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2yqe h ILE 120 CO -0.34 0.07 -0.36 -0.33 0.00 0.00 0.00 178.15 177.19 2yqe h GLU 121 N 0.38 -0.74 -0.96 2.37 4.39 -0.74 -2.79 114.58 116.50 2yqe h GLU 121 Ca 0.21 0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.13 2yqe h GLU 121 Cb 0.19 0.17 -0.16 0.00 -0.10 0.00 0.00 28.75 28.84 2yqe h GLU 121 CO -0.20 -0.49 -0.34 0.93 -1.16 0.00 0.00 179.01 177.75 2yqe h GLU 122 N -0.77 -0.01 0.00 2.33 4.39 -0.55 -3.43 114.58 116.54 2yqe h GLU 122 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2yqe h GLU 122 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2yqe h GLU 122 CO -0.04 -0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.21 2yqe n GLY 123 N -1.51 0.00 0.00 -3.84 0.00 -1.06 -4.98 105.19 93.79 2yqe n GLY 123 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2yqe n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yqe n GLY 124 N 0.00 0.30 0.06 -0.02 0.00 -1.00 -4.30 105.19 100.23 2yqe n GLY 124 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 2yqe n GLY 124 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2yqe h TYR 125 N 0.00 0.00 -0.82 1.61 5.03 -1.93 -3.11 116.97 117.74 2yqe h TYR 125 Ca 0.00 0.00 0.24 0.00 2.58 0.00 0.00 58.73 61.55 2yqe h TYR 125 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 2yqe h TYR 125 CO 0.00 0.46 0.61 0.93 -1.32 0.00 0.00 178.16 178.84 2yqe h GLU 126 N -1.00 0.00 0.00 1.82 5.08 -1.98 0.13 114.58 118.64 2yqe h GLU 126 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2yqe h GLU 126 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2yqe h GLU 126 CO -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 2yqe n ALA 127 N -2.67 -0.17 -0.24 3.43 0.00 -1.25 -1.74 120.51 117.87 2yqe n ALA 127 Ca 0.17 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.88 2yqe n ALA 127 Cb 0.91 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.02 2yqe n ALA 127 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2yqe h ILE 128 N 0.00 0.54 -0.24 0.00 -0.00 -1.43 0.13 117.51 116.51 2yqe h ILE 128 Ca 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 64.86 64.73 2yqe h ILE 128 Cb 0.00 0.41 -0.00 0.00 -0.00 0.00 0.00 36.82 37.23 2yqe h ILE 128 CO 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 178.15 177.96 2yqe h LYS 130 N 0.27 1.11 -0.83 0.00 3.64 0.07 -2.20 116.57 118.64 2yqe h LYS 130 Ca 0.04 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.07 2yqe h LYS 130 Cb 0.76 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2yqe h LYS 130 CO 0.05 0.97 0.13 -0.25 -2.27 0.00 0.00 179.45 178.08 2yqe n ASP 131 N -4.24 3.70 -2.90 4.20 8.00 -0.56 -4.88 116.55 119.88 2yqe n ASP 131 Ca 0.05 -2.69 -0.17 0.00 0.71 0.00 0.00 54.79 52.70 2yqe n ASP 131 Cb 0.25 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yqe n ARG 132 N 0.09 -1.51 0.32 -1.24 1.74 -0.83 -4.66 116.66 110.57 2yqe n ARG 132 Ca 0.23 0.06 0.22 0.00 -0.77 0.00 0.00 57.85 57.58 2yqe n ARG 132 Cb 0.94 -3.29 1.16 0.00 -1.02 0.00 0.00 32.46 30.25 2yqe n ARG 132 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yqe h ARG 133 N -0.35 0.00 -0.83 5.56 2.47 -0.51 -3.03 114.38 117.70 2yqe h ARG 133 Ca -0.24 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 58.77 2yqe h ARG 133 Cb 0.87 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.03 2yqe h ARG 133 CO 0.36 0.00 0.22 0.91 0.56 0.00 0.00 179.97 182.02 2yqe n TRP 134 N -3.00 0.74 0.29 3.04 5.03 -1.25 0.47 117.44 122.75 2yqe n TRP 134 Ca -0.03 0.99 -0.17 0.00 3.03 0.00 0.00 57.50 61.33 2yqe n TRP 134 Cb 0.07 -1.25 -0.08 0.00 -1.03 0.00 0.00 31.31 29.02 2yqe n TRP 134 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2yqe h ALA 135 N 1.66 -0.86 -0.68 6.99 0.00 -1.90 -1.48 119.26 122.99 2yqe h ALA 135 Ca 0.60 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2yqe h ALA 135 Cb 1.43 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 2yqe h ALA 135 CO -0.71 -1.01 0.45 -0.09 0.00 0.00 0.00 179.25 177.89 2yqe h ARG 136 N -0.83 0.89 -0.84 0.00 9.65 -0.23 -2.01 114.38 121.01 2yqe h ARG 136 Ca -0.05 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 58.90 2yqe h ARG 136 Cb 0.70 -0.20 -0.06 0.00 -1.39 0.00 0.00 29.97 29.02 2yqe h ARG 136 CO 0.02 0.59 0.55 0.28 2.80 0.00 0.00 179.97 184.20 2yqe h VAL 137 N 0.92 0.86 0.12 0.20 2.07 -0.64 -0.21 116.25 119.58 2yqe h VAL 137 Ca 0.25 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2yqe h VAL 137 Cb -0.10 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2yqe h VAL 137 CO -0.06 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.60 2yqe h ALA 138 N 1.60 -0.16 -0.83 1.67 0.00 -0.56 -3.21 119.26 117.77 2yqe h ALA 138 Ca 0.41 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2yqe h ALA 138 Cb 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2yqe h ALA 138 CO -0.17 -0.34 0.54 1.96 0.00 0.00 0.00 179.25 181.24 2yqe h GLN 139 N -0.67 0.78 -0.90 0.00 7.50 -0.92 -0.65 115.11 120.26 2yqe h GLN 139 Ca -0.02 -0.05 0.23 0.00 0.50 0.00 0.00 58.65 59.32 2yqe h GLN 139 Cb 0.51 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 27.81 2yqe h GLN 139 CO 0.03 0.52 0.62 0.00 -1.50 0.00 0.00 178.83 178.49 2yqe h ARG 140 N 0.80 0.19 -0.73 1.46 2.47 -1.05 0.79 114.38 118.32 2yqe h ARG 140 Ca 0.38 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2yqe h ARG 140 Cb 0.41 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2yqe h ARG 140 CO -0.15 0.12 0.00 -0.11 0.56 0.00 0.00 179.97 180.39 2yqe n LEU 141 N -4.39 1.56 -1.99 3.04 7.94 -0.25 -4.83 117.00 118.07 2yqe n LEU 141 Ca 0.19 -0.78 -0.15 0.00 -1.11 0.00 0.00 56.01 54.16 2yqe n LEU 141 Cb 0.84 -0.42 0.02 0.00 0.53 0.00 0.00 43.42 44.39 2yqe n LEU 141 CO 0.35 0.28 -0.04 1.41 -1.11 0.00 0.00 177.39 178.27 2yqe n HIS 142 N 0.05 -1.17 -2.49 1.96 8.25 0.27 -5.00 115.22 117.09 2yqe n HIS 142 Ca 0.05 0.27 -0.30 0.00 -0.26 0.00 0.00 57.72 57.48 2yqe n HIS 142 Cb 0.34 -3.28 -0.01 0.00 1.12 0.00 0.00 29.99 28.16 2yqe n HIS 142 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2yqe s TYR 143 N -2.91 3.54 -0.34 4.41 2.02 -1.16 -5.00 117.35 117.92 2yqe s TYR 143 Ca 0.16 1.07 -0.29 0.00 -0.37 0.00 0.00 57.07 57.65 2yqe s TYR 143 Cb -0.07 -2.50 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 2yqe s TYR 143 CO 0.19 -0.34 1.69 -1.25 -1.57 0.00 0.00 175.55 174.28 2yqe s PRO 144 N -4.51 3.44 -0.77 -1.71 0.04 -1.26 -4.67 135.00 125.56 2yqe s PRO 144 Ca 0.52 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 2yqe s PRO 144 Cb -0.10 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2yqe s PRO 144 CO 0.42 -1.73 1.91 -1.25 0.04 0.00 0.00 177.00 176.38 2yqe s PRO 145 N 5.39 2.58 0.00 0.56 0.04 -1.26 -3.71 135.00 138.61 2yqe s PRO 145 Ca 0.75 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2yqe s PRO 145 Cb -0.21 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.57 2yqe s PRO 145 CO 0.33 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.69 2yqe n GLY 146 N 6.33 -0.45 3.63 0.56 0.00 -1.26 -5.14 105.19 108.86 2yqe n GLY 146 Ca 0.31 0.33 -0.36 0.00 0.00 0.00 0.00 46.02 46.30 2yqe n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yqe n LYS 147 N 0.00 0.55 -1.66 1.61 5.02 -1.24 -4.79 118.16 117.64 2yqe n LYS 147 Ca 0.00 0.25 -0.35 0.00 -2.02 0.00 0.00 58.31 56.19 2yqe n LYS 147 Cb 0.00 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 32.67 2yqe n LYS 147 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2yqe n ASN 148 N -1.84 2.81 -0.09 4.39 4.13 -1.26 -4.58 115.26 118.83 2yqe n ASN 148 Ca 0.13 -2.69 -0.13 0.00 1.68 0.00 0.00 54.58 53.58 2yqe n ASN 148 Cb 0.49 -1.46 -0.07 0.00 -1.54 0.00 0.00 39.78 37.21 2yqe n ASN 148 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2yqe h ILE 149 N 5.45 0.49 -0.82 2.41 2.04 -1.92 -3.33 117.51 121.83 2yqe h ILE 149 Ca 0.30 -1.60 0.20 0.00 1.00 0.00 0.00 64.86 64.76 2yqe h ILE 149 Cb 0.82 1.16 -0.15 0.00 -0.74 0.00 0.00 36.82 37.91 2yqe h ILE 149 CO 1.54 0.17 -0.08 0.61 0.00 0.00 0.00 178.15 180.39 2yqe n GLY 150 N 1.54 -1.23 0.19 5.37 0.00 -1.26 0.26 105.19 110.06 2yqe n GLY 150 Ca -0.19 0.84 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 2yqe n GLY 150 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqe h SER 151 N 0.00 -0.35 -0.34 1.61 0.02 -1.95 -1.12 113.55 111.42 2yqe h SER 151 Ca 0.46 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 2yqe h SER 151 Cb 0.85 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 2yqe h SER 151 CO -0.80 -0.18 -0.17 0.25 -1.14 0.00 0.00 176.83 174.78 2yqe h LEU 152 N -0.50 -0.59 0.33 5.07 6.46 -0.30 -1.25 115.31 124.52 2yqe h LEU 152 Ca -0.04 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2yqe h LEU 152 Cb 0.37 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2yqe h LEU 152 CO 0.07 -0.21 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.40 2yqe h LEU 153 N -0.12 -0.54 -1.12 2.25 3.38 -0.98 -1.33 115.31 116.85 2yqe h LEU 153 Ca 0.17 0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.61 2yqe h LEU 153 Cb 0.39 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2yqe h LEU 153 CO -0.42 -0.32 0.65 -1.14 0.09 0.00 0.00 178.44 177.30 2yqe n ARG 154 N -3.60 -0.05 0.27 1.13 0.63 -0.43 -0.24 116.66 114.37 2yqe n ARG 154 Ca -0.06 1.34 -0.14 0.00 -0.92 0.00 0.00 57.85 58.07 2yqe n ARG 154 Cb 0.21 -2.48 -0.07 0.00 0.45 0.00 0.00 32.46 30.57 2yqe n ARG 154 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2yqe h SER 155 N 0.00 -0.61 -0.25 6.15 0.02 -0.81 -0.07 113.55 117.98 2yqe h SER 155 Ca 0.86 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.83 2yqe h SER 155 Cb 2.43 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 65.12 2yqe h SER 155 CO -0.67 -0.23 0.25 0.45 -1.14 0.00 0.00 176.83 175.48 2yqe h HIS 156 N -1.05 0.00 0.06 3.45 3.86 0.54 0.74 115.15 122.75 2yqe h HIS 156 Ca -0.07 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 2yqe h HIS 156 Cb 0.62 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.10 2yqe h HIS 156 CO 0.01 0.00 -0.42 -0.92 0.86 0.00 0.00 177.93 177.46 2yqe h TYR 157 N 0.00 0.31 0.00 2.45 5.03 -0.67 0.60 116.97 124.70 2yqe h TYR 157 Ca 0.12 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2yqe h TYR 157 Cb 0.62 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.88 2yqe h TYR 157 CO 0.00 1.12 0.00 0.39 -1.32 0.00 0.00 178.16 178.35 2yqe n GLU 158 N -4.37 0.01 -0.11 1.82 -0.58 -0.05 0.15 120.64 117.51 2yqe n GLU 158 Ca -0.12 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.50 2yqe n GLU 158 Cb 0.64 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.86 2yqe n GLU 158 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2yqe n ARG 159 N -1.52 0.72 -0.05 3.49 0.63 0.25 -4.21 116.66 115.98 2yqe n ARG 159 Ca 0.07 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.96 2yqe n ARG 159 Cb 0.34 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 2yqe n ARG 159 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2yqe n ILE 160 N -2.98 0.64 1.72 5.15 5.41 0.19 -4.60 119.36 124.89 2yqe n ILE 160 Ca -0.38 -0.10 0.14 0.00 1.00 0.00 0.00 62.75 63.40 2yqe n ILE 160 Cb 1.05 -1.66 0.81 0.00 -0.71 0.00 0.00 39.64 39.13 2yqe n ILE 160 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yqe n ILE 161 N -3.50 0.00 0.17 1.39 5.41 0.11 -3.41 119.36 119.52 2yqe n ILE 161 Ca -0.19 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.48 2yqe n ILE 161 Cb 0.60 -0.57 -0.04 0.00 -0.71 0.00 0.00 39.64 38.93 2yqe n ILE 161 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2yqe h TYR 162 N 0.00 -0.47 -0.30 1.39 3.20 0.12 -2.85 116.97 118.07 2yqe h TYR 162 Ca 0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 2yqe h TYR 162 Cb 0.00 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2yqe h TYR 162 CO 0.00 -0.29 -0.41 -1.00 -1.64 0.00 0.00 178.16 174.82 2yqe h PRO 163 N -1.09 0.73 -0.87 1.82 0.13 -1.85 -2.20 132.00 128.66 2yqe h PRO 163 Ca -0.05 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2yqe h PRO 163 Cb 0.39 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 2yqe h PRO 163 CO 0.08 1.00 0.56 -0.92 -0.23 0.00 0.00 178.00 178.50 2yqe h TYR 164 N 0.59 1.12 0.23 1.56 3.20 -1.70 0.56 116.97 122.53 2yqe h TYR 164 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2yqe h TYR 164 Cb 0.96 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2yqe h TYR 164 CO 0.05 0.72 -0.11 0.93 -1.64 0.00 0.00 178.16 178.11 2yqe h GLU 165 N 1.19 -0.30 -0.99 1.82 4.39 -1.44 -2.36 114.58 116.89 2yqe h GLU 165 Ca 0.32 0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.23 2yqe h GLU 165 Cb -0.11 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.50 2yqe h GLU 165 CO -0.07 -0.06 0.60 0.00 -1.16 0.00 0.00 179.01 178.32 2yqe h MET 166 N -1.03 0.73 0.75 2.33 -0.00 -1.37 -2.06 114.93 114.28 2yqe h MET 166 Ca -0.03 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.59 2yqe h MET 166 Cb 0.37 -0.16 0.01 0.00 -0.00 0.00 0.00 31.60 31.82 2yqe h MET 166 CO 0.05 0.48 -0.36 0.35 -0.00 0.00 0.00 176.91 177.43 2yqe h PHE 167 N 0.75 -0.93 -1.03 -0.10 3.04 -0.96 -3.08 116.94 114.62 2yqe h PHE 167 Ca 0.57 -0.02 0.37 0.00 3.98 0.00 0.00 57.97 62.87 2yqe h PHE 167 Cb 0.89 0.31 -0.16 0.00 2.56 0.00 0.00 35.95 39.55 2yqe h PHE 167 CO -0.01 -0.58 0.59 1.96 -2.02 0.00 0.00 178.31 178.25 2yqe h GLN 168 N -1.26 0.19 -1.96 1.11 1.08 -0.92 0.16 115.11 113.50 2yqe h GLN 168 Ca -0.10 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.81 2yqe h GLN 168 Cb 0.78 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.06 2yqe h GLN 168 CO 0.17 0.12 -0.03 0.45 -0.95 0.00 0.00 178.83 178.59 2yqe n SER 169 N -5.08 5.74 -3.28 1.46 2.88 -0.82 -4.59 113.62 109.93 2yqe n SER 169 Ca 0.34 -2.75 -0.27 0.00 -1.33 0.00 0.00 58.87 54.87 2yqe n SER 169 Cb 1.13 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 2yqe n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqe n GLY 170 N 1.69 4.88 0.91 0.46 0.00 0.56 -4.99 105.19 108.71 2yqe n GLY 170 Ca 0.39 -2.68 0.11 0.00 0.00 0.00 0.00 46.02 43.84 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32