#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe s SER 73 N 0.00 5.75 -0.23 1.61 0.01 -1.26 -5.04 113.70 114.55 2yqe s SER 73 Ca 0.00 -1.10 -0.09 0.00 1.31 0.00 0.00 55.95 56.07 2yqe s SER 73 Cb 0.00 -2.03 0.09 0.00 0.21 0.00 0.00 66.02 64.30 2yqe s SER 73 CO 0.00 -0.43 0.51 -0.55 0.41 0.00 0.00 173.24 173.18 2yqe s SER 74 N 1.69 -0.61 0.00 2.44 0.15 -1.26 -5.09 113.70 111.03 2yqe s SER 74 Ca 0.02 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2yqe s SER 74 Cb -0.20 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 2yqe s SER 74 CO 0.06 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2yqe n GLY 75 N 5.11 0.21 3.55 9.45 0.00 -1.26 -4.94 105.19 117.30 2yqe n GLY 75 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 2yqe n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yqe n SER 76 N -1.50 1.40 -3.79 1.61 3.41 -1.26 -4.85 113.62 108.64 2yqe n SER 76 Ca 0.00 -1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 2yqe n SER 76 Cb 0.00 -1.48 -0.11 0.00 -0.26 0.00 0.00 64.21 62.36 2yqe n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yqe s SER 77 N 9.58 -0.23 -0.25 4.04 1.04 -1.26 -5.06 113.70 121.56 2yqe s SER 77 Ca 1.00 0.41 0.20 0.00 0.48 0.00 0.00 55.95 58.04 2yqe s SER 77 Cb -0.27 0.47 0.46 0.00 0.10 0.00 0.00 66.02 66.78 2yqe s SER 77 CO 0.18 -0.14 1.23 0.61 0.98 0.00 0.00 173.24 176.11 2yqe n GLY 78 N 2.70 1.75 0.29 7.32 0.00 -1.26 -4.92 105.19 111.08 2yqe n GLY 78 Ca -0.14 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2yqe n GLY 78 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2yqe h THR 79 N 5.27 1.27 -0.78 2.61 2.02 -1.99 -3.12 112.91 118.18 2yqe h THR 79 Ca -0.24 -1.27 0.25 0.00 0.77 0.00 0.00 66.41 65.91 2yqe h THR 79 Cb 1.33 0.97 -0.14 0.00 -1.74 0.00 0.00 68.15 68.57 2yqe h THR 79 CO 0.06 0.45 0.13 -1.14 0.37 0.00 0.00 175.52 175.38 2yqe n ARG 80 N -4.14 -0.06 0.04 6.66 3.00 -1.26 -0.81 116.66 120.09 2yqe n ARG 80 Ca 0.01 1.14 -0.04 0.00 -0.00 0.00 0.00 57.85 58.97 2yqe n ARG 80 Cb 0.40 -1.88 -0.02 0.00 0.00 0.00 0.00 32.46 30.96 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2yqe h VAL 81 N 0.00 0.08 -1.50 5.15 2.07 -1.97 -3.28 116.25 116.80 2yqe h VAL 81 Ca 0.53 -0.90 0.45 0.00 0.82 0.00 0.00 66.70 67.59 2yqe h VAL 81 Cb 1.19 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2yqe h VAL 81 CO -0.70 0.02 1.07 0.29 0.02 0.00 0.00 177.57 178.27 2yqe n LYS 82 N -4.91 -0.01 -0.04 1.57 4.01 0.01 0.23 118.16 119.03 2yqe n LYS 82 Ca -0.03 0.89 -0.14 0.00 -0.51 0.00 0.00 58.31 58.52 2yqe n LYS 82 Cb 0.10 -2.00 -0.09 0.00 -0.51 0.00 0.00 35.03 32.53 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 0.31 -0.90 -0.35 3.38 -1.26 -3.22 115.31 113.27 2yqe h LEU 83 Ca 0.75 -0.58 0.21 0.00 0.09 0.00 0.00 57.88 58.34 2yqe h LEU 83 Cb 2.90 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 43.39 2yqe h LEU 83 CO -0.07 0.83 -0.13 -3.20 0.09 0.00 0.00 178.44 175.96 2yqe n ASN 84 N -4.55 -0.24 -0.20 -0.43 5.15 0.64 0.14 115.26 115.77 2yqe n ASN 84 Ca -0.08 1.54 -0.08 0.00 -0.60 0.00 0.00 54.58 55.36 2yqe n ASN 84 Cb 0.41 -0.50 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 2yqe n ASN 84 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2yqe h TYR 85 N 0.00 0.91 0.53 1.20 3.20 -1.60 -1.12 116.97 120.09 2yqe h TYR 85 Ca 0.48 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 2yqe h TYR 85 Cb 0.84 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.85 2yqe h TYR 85 CO -0.60 0.75 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.35 2yqe h LEU 86 N 0.80 -0.60 -2.34 2.82 3.38 0.13 0.06 115.31 119.56 2yqe h LEU 86 Ca 0.19 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2yqe h LEU 86 Cb 0.26 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2yqe h LEU 86 CO -0.01 -0.30 0.14 0.44 0.09 0.00 0.00 178.44 178.79 2yqe h ASP 87 N -0.90 0.00 0.10 -0.43 3.32 -0.46 0.36 116.42 118.41 2yqe h ASP 87 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2yqe h ASP 87 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2yqe h ASP 87 CO 0.12 0.00 -0.05 1.56 -1.72 0.00 0.00 179.24 179.15 2yqe h GLN 88 N 0.00 -0.13 -0.09 3.56 4.20 -0.87 -2.56 115.11 119.22 2yqe h GLN 88 Ca 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2yqe h GLN 88 Cb 0.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2yqe h GLN 88 CO -0.00 -0.08 -0.05 0.97 -0.67 0.00 0.00 178.83 178.99 2yqe h ILE 89 N -0.94 1.10 0.11 2.54 2.10 -0.76 -2.90 117.51 118.76 2yqe h ILE 89 Ca -0.01 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.51 2yqe h ILE 89 Cb 0.10 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2yqe h ILE 89 CO 0.02 0.13 -0.05 0.00 -1.08 0.00 0.00 178.15 177.17 2yqe h ALA 90 N 1.82 -0.15 -1.00 0.18 0.00 -0.40 -2.69 119.26 117.01 2yqe h ALA 90 Ca 0.03 -0.20 0.29 0.00 0.00 0.00 0.00 54.91 55.03 2yqe h ALA 90 Cb 0.18 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2yqe h ALA 90 CO 0.01 -0.38 0.86 -0.22 0.00 0.00 0.00 179.25 179.52 2yqe h LYS 91 N -0.57 0.00 0.15 0.00 3.64 -1.25 0.41 116.57 118.95 2yqe h LYS 91 Ca -0.02 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2yqe h LYS 91 Cb 0.46 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2yqe h LYS 91 CO 0.03 0.00 -0.88 0.35 -2.27 0.00 0.00 179.45 176.67 2yqe h PHE 92 N 0.00 0.57 0.29 1.91 3.57 -1.49 -3.29 116.94 118.49 2yqe h PHE 92 Ca 0.48 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2yqe h PHE 92 Cb 2.18 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.90 2yqe h PHE 92 CO 0.00 1.34 -0.14 -1.49 -2.23 0.00 0.00 178.31 175.79 2yqe h TRP 93 N -0.34 -0.36 -1.00 0.41 4.06 -0.07 -2.83 115.95 115.82 2yqe h TRP 93 Ca -0.16 -0.01 0.38 0.00 2.06 0.00 0.00 58.89 61.17 2yqe h TRP 93 Cb 1.68 0.12 -0.18 0.00 -1.00 0.00 0.00 29.16 29.78 2yqe h TRP 93 CO 0.19 -0.00 0.41 1.05 -3.56 0.00 0.00 178.44 176.53 2yqe h GLU 94 N -0.86 0.01 0.26 0.49 4.11 -0.45 0.25 114.58 118.39 2yqe h GLU 94 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2yqe h GLU 94 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2yqe h GLU 94 CO 0.06 0.00 -0.13 0.82 0.07 0.00 0.00 179.01 179.84 2yqe h ILE 95 N 0.01 0.76 -1.31 -1.06 2.04 -1.62 -3.05 117.51 113.27 2yqe h ILE 95 Ca 0.79 -0.71 0.38 0.00 1.00 0.00 0.00 64.86 66.32 2yqe h ILE 95 Cb 1.99 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 39.11 2yqe h ILE 95 CO -0.81 0.14 0.90 1.56 0.00 0.00 0.00 178.15 179.94 2yqe h GLN 96 N -0.75 0.11 0.00 2.37 1.08 -0.28 -3.44 115.11 114.19 2yqe h GLN 96 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2yqe h GLN 96 Cb 0.50 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2yqe h GLN 96 CO 0.06 0.07 0.00 0.41 -0.95 0.00 0.00 178.83 178.42 2yqe n GLY 97 N -1.67 3.31 3.64 3.46 0.00 -0.69 -5.09 105.19 108.15 2yqe n GLY 97 Ca 0.31 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.10 6.64 1.28 1.61 0.15 -1.24 -4.91 113.70 117.13 2yqe s SER 98 Ca 0.00 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.28 2yqe s SER 98 Cb 0.00 -2.35 0.33 0.00 -1.71 0.00 0.00 66.02 62.29 2yqe s SER 98 CO 0.00 -0.32 0.98 -0.55 1.20 0.00 0.00 173.24 174.54 2yqe s SER 99 N 1.32 0.02 -0.20 5.45 0.15 -1.26 -3.56 113.70 115.62 2yqe s SER 99 Ca 0.28 1.33 -0.12 0.00 0.70 0.00 0.00 55.95 58.14 2yqe s SER 99 Cb -0.16 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.07 2yqe s SER 99 CO 0.09 -4.77 0.23 -0.22 1.20 0.00 0.00 173.24 169.78 2yqe s LEU 100 N -7.55 4.18 -0.06 3.45 2.96 -1.26 -4.82 118.68 115.57 2yqe s LEU 100 Ca 0.69 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 2yqe s LEU 100 Cb -0.23 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2yqe s LEU 100 CO 0.64 0.08 -0.09 -0.54 -1.32 0.00 0.00 176.35 175.12 2yqe s LYS 101 N 0.74 1.41 -0.23 1.98 1.02 -1.26 -5.12 119.74 118.28 2yqe s LYS 101 Ca 0.12 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 2yqe s LYS 101 Cb -0.13 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 2yqe s LYS 101 CO 0.03 -0.04 0.36 0.42 -0.92 0.00 0.00 175.35 175.19 2yqe s ILE 102 N 0.88 5.21 0.47 2.17 -1.09 -1.26 -5.07 121.20 122.52 2yqe s ILE 102 Ca -0.11 0.58 -0.22 0.00 -2.23 0.00 0.00 60.65 58.67 2yqe s ILE 102 Cb -0.15 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2yqe s ILE 102 CO 0.01 0.23 1.16 -2.16 -1.23 0.00 0.00 174.94 172.95 2yqe s PRO 103 N 1.55 3.71 -0.36 2.79 0.04 -1.26 -4.90 135.00 136.57 2yqe s PRO 103 Ca 0.16 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2yqe s PRO 103 Cb -0.15 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 2yqe s PRO 103 CO 0.08 -0.59 0.43 -0.80 0.04 0.00 0.00 177.00 176.16 2yqe s ASN 104 N -1.41 6.23 -0.02 6.66 -0.87 -1.26 -3.15 114.94 121.11 2yqe s ASN 104 Ca 0.65 -0.27 0.05 0.00 -1.57 0.00 0.00 52.86 51.71 2yqe s ASN 104 Cb -0.28 -2.23 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 2yqe s ASN 104 CO 0.34 -0.44 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.56 2yqe s VAL 105 N 2.17 2.84 -1.32 1.60 1.01 0.18 -4.71 120.40 122.18 2yqe s VAL 105 Ca 0.14 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2yqe s VAL 105 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2yqe s VAL 105 CO 0.13 0.52 0.52 -0.62 0.00 0.00 0.00 175.10 175.65 2yqe n GLU 106 N 2.11 -2.25 -4.35 2.72 -0.58 -1.26 -0.56 120.64 116.47 2yqe n GLU 106 Ca -0.17 0.36 -0.37 0.00 -0.42 0.00 0.00 57.16 56.57 2yqe n GLU 106 Cb 0.52 -4.15 -0.06 0.00 -0.57 0.00 0.00 31.44 27.18 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 -4.42 -1.82 -3.51 3.49 1.85 -1.26 -4.89 116.66 106.10 2yqe n ARG 107 Ca -0.23 0.23 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2yqe n ARG 107 Cb 0.65 -4.65 -0.04 0.00 -1.05 0.00 0.00 32.46 27.37 2yqe n ARG 107 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2yqe s LYS 108 N -7.10 0.93 0.45 2.89 2.20 0.27 -5.15 119.74 114.23 2yqe s LYS 108 Ca 0.60 0.00 -0.25 0.00 -0.36 0.00 0.00 55.97 55.96 2yqe s LYS 108 Cb -0.34 0.44 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 2yqe s LYS 108 CO 0.98 -0.34 1.34 -1.50 -0.36 0.00 0.00 175.35 175.47 2yqe s ILE 109 N -1.96 2.39 -0.20 5.43 1.10 -1.26 -0.64 121.20 126.06 2yqe s ILE 109 Ca -0.04 0.33 -0.20 0.00 -0.51 0.00 0.00 60.65 60.24 2yqe s ILE 109 Cb -0.00 -3.19 -0.03 0.00 0.15 0.00 0.00 42.46 39.39 2yqe s ILE 109 CO 0.00 0.04 0.60 -0.22 -2.11 0.00 0.00 174.94 173.25 2yqe s LEU 110 N -2.74 4.15 -1.36 8.50 0.20 -1.19 -4.78 118.68 121.45 2yqe s LEU 110 Ca 0.61 0.80 -0.10 0.00 0.69 0.00 0.00 54.13 56.12 2yqe s LEU 110 Cb -0.40 -2.84 0.11 0.00 -0.43 0.00 0.00 46.19 42.63 2yqe s LEU 110 CO 0.50 -0.25 2.11 -0.67 -0.29 0.00 0.00 176.35 177.76 2yqe n ASP 111 N 4.96 5.31 -0.35 3.68 2.03 -1.26 -4.76 116.55 126.16 2yqe n ASP 111 Ca -0.02 -3.00 0.32 0.00 0.52 0.00 0.00 54.79 52.61 2yqe n ASP 111 Cb 0.50 -1.52 0.67 0.00 -0.72 0.00 0.00 41.12 40.04 2yqe n ASP 111 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2yqe h LEU 112 N 8.16 0.17 0.31 -2.67 -0.00 -1.98 -1.72 115.31 117.58 2yqe h LEU 112 Ca 0.51 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.42 2yqe h LEU 112 Cb 0.57 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 2yqe h LEU 112 CO 1.70 0.01 -0.24 0.22 -0.00 0.00 0.00 178.44 180.13 2yqe h TYR 113 N 0.14 -0.65 -0.68 0.17 3.20 -1.91 -2.29 116.97 114.95 2yqe h TYR 113 Ca 0.61 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.61 2yqe h TYR 113 Cb 2.10 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 40.53 2yqe h TYR 113 CO -0.00 -0.34 0.22 0.66 -1.64 0.00 0.00 178.16 177.06 2yqe h SER 114 N -0.53 0.16 -0.12 -2.11 4.64 -1.74 -2.43 113.55 111.41 2yqe h SER 114 Ca -0.04 0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2yqe h SER 114 Cb 0.44 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2yqe h SER 114 CO 0.01 0.07 -0.17 0.25 -0.87 0.00 0.00 176.83 176.11 2yqe h LEU 115 N 0.36 -0.58 -0.57 5.97 5.85 -1.26 0.07 115.31 125.15 2yqe h LEU 115 Ca 0.36 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.27 2yqe h LEU 115 Cb 0.54 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 2yqe h LEU 115 CO -0.40 -0.13 -0.21 -1.28 -0.34 0.00 0.00 178.44 176.09 2yqe h SER 116 N -0.13 -0.75 -0.25 1.25 0.87 -1.13 -1.32 113.55 112.11 2yqe h SER 116 Ca 0.02 0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 2yqe h SER 116 Cb 0.19 0.43 -0.07 0.00 -0.44 0.00 0.00 62.40 62.50 2yqe h SER 116 CO -0.18 -0.24 -0.53 0.11 -0.53 0.00 0.00 176.83 175.46 2yqe h LYS 117 N -0.07 -0.48 -0.45 2.24 1.79 -0.87 -0.98 116.57 117.75 2yqe h LYS 117 Ca 0.26 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.86 2yqe h LYS 117 Cb 0.48 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 31.15 2yqe h LYS 117 CO -0.62 -0.32 -0.11 0.82 -1.08 0.00 0.00 179.45 178.14 2yqe h ILE 118 N -0.50 0.55 -0.02 1.86 2.04 -0.17 -0.42 117.51 120.85 2yqe h ILE 118 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2yqe h ILE 118 Cb 0.64 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2yqe h ILE 118 CO -0.50 0.00 -0.37 0.58 0.00 0.00 0.00 178.15 177.86 2yqe h VAL 119 N -0.00 0.00 -0.51 1.67 2.07 -0.30 0.10 116.25 119.28 2yqe h VAL 119 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 2yqe h VAL 119 Cb 0.33 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 2yqe h VAL 119 CO -0.46 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.51 2yqe h ILE 120 N -0.45 0.58 0.09 4.57 2.04 -0.89 -2.25 117.51 121.20 2yqe h ILE 120 Ca 0.01 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2yqe h ILE 120 Cb 0.49 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2yqe h ILE 120 CO -0.26 0.02 -0.41 -0.33 0.00 0.00 0.00 178.15 177.18 2yqe h GLU 121 N 0.10 -0.60 -0.75 2.37 5.08 -0.51 -2.18 114.58 118.09 2yqe h GLU 121 Ca 0.26 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.81 2yqe h GLU 121 Cb 0.40 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.64 2yqe h GLU 121 CO -0.45 -0.40 -0.15 0.93 -1.00 0.00 0.00 179.01 177.95 2yqe h GLU 122 N -0.62 0.02 0.00 2.33 4.39 -0.25 -3.43 114.58 117.01 2yqe h GLU 122 Ca 0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2yqe h GLU 122 Cb 0.66 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2yqe h GLU 122 CO -0.25 0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 2yqe n GLY 123 N -1.48 0.00 0.00 -3.84 0.00 -0.85 -4.98 105.19 94.04 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 0.01 0.15 -0.02 0.00 -0.94 -4.06 105.19 100.32 2yqe n GLY 124 Ca 0.00 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 0.84 -0.74 1.61 5.03 -1.93 -3.18 116.97 118.61 2yqe h TYR 125 Ca 0.00 -0.62 -0.06 0.00 2.58 0.00 0.00 58.73 60.63 2yqe h TYR 125 Cb 0.00 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 2yqe h TYR 125 CO 0.00 1.62 0.22 0.93 -1.32 0.00 0.00 178.16 179.61 2yqe h GLU 126 N 0.11 1.16 0.51 1.82 5.08 -1.97 -0.56 114.58 120.73 2yqe h GLU 126 Ca -0.30 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2yqe h GLU 126 Cb 2.12 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2yqe h GLU 126 CO 0.22 1.00 -0.24 0.00 -1.00 0.00 0.00 179.01 178.99 2yqe h ALA 127 N 1.11 -1.08 -0.74 3.43 0.00 -1.71 -0.54 119.26 119.73 2yqe h ALA 127 Ca 0.24 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2yqe h ALA 127 Cb 0.33 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2yqe h ALA 127 CO -0.00 -1.03 0.50 -0.84 0.00 0.00 0.00 179.25 177.87 2yqe h ILE 128 N -0.74 0.82 -0.38 0.00 -0.00 -1.59 0.33 117.51 115.95 2yqe h ILE 128 Ca -0.07 -0.16 -0.10 0.00 -0.00 0.00 0.00 64.86 64.54 2yqe h ILE 128 Cb 0.52 0.33 -0.02 0.00 -0.00 0.00 0.00 36.82 37.65 2yqe h ILE 128 CO 0.11 0.08 -0.17 0.00 -0.00 0.00 0.00 178.15 178.18 2yqe h LYS 130 N 0.62 0.69 -0.88 0.00 1.63 0.71 -3.01 116.57 116.34 2yqe h LYS 130 Ca 0.10 -0.46 -0.06 0.00 -0.85 0.00 0.00 60.65 59.38 2yqe h LYS 130 Cb 0.63 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 2yqe h LYS 130 CO 0.04 1.08 0.08 -0.25 -3.45 0.00 0.00 179.45 176.95 2yqe n ASP 131 N -4.17 3.09 -3.74 4.20 8.00 -0.55 -4.88 116.55 118.50 2yqe n ASP 131 Ca -0.06 -2.47 -0.28 0.00 0.71 0.00 0.00 54.79 52.69 2yqe n ASP 131 Cb 0.57 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.13 -0.85 0.00 -1.24 1.74 -0.81 -4.71 116.66 110.93 2yqe n ARG 132 Ca 0.16 0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 2yqe n ARG 132 Cb 0.75 -3.13 0.50 0.00 -1.02 0.00 0.00 32.46 29.56 2yqe n ARG 132 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yqe n ARG 133 N -3.25 0.14 -0.27 5.56 5.12 0.58 -3.71 116.66 120.83 2yqe n ARG 133 Ca -0.02 0.11 0.06 0.00 -1.93 0.00 0.00 57.85 56.06 2yqe n ARG 133 Cb 0.39 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.36 2yqe n ARG 133 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 2yqe h TRP 134 N 0.00 -0.05 -0.43 -1.55 -0.00 -1.84 0.19 115.95 112.26 2yqe h TRP 134 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 58.89 59.02 2yqe h TRP 134 Cb 0.30 0.15 -0.09 0.00 -0.00 0.00 0.00 29.16 29.52 2yqe h TRP 134 CO 0.00 -0.26 -0.44 0.00 -0.00 0.00 0.00 178.44 177.74 2yqe h ALA 135 N 1.74 -0.44 0.42 1.49 0.00 -1.93 0.10 119.26 120.64 2yqe h ALA 135 Ca 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2yqe h ALA 135 Cb 0.78 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2yqe h ALA 135 CO -0.70 -0.87 -0.20 0.00 0.00 0.00 0.00 179.25 177.48 2yqe h ARG 136 N -0.32 -0.54 -1.58 0.00 2.47 -1.43 -2.30 114.38 110.68 2yqe h ARG 136 Ca 0.14 0.04 0.46 0.00 -1.26 0.00 0.00 59.98 59.35 2yqe h ARG 136 Cb 0.58 0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.96 2yqe h ARG 136 CO -0.59 -0.23 1.19 0.28 0.56 0.00 0.00 179.97 181.17 2yqe h VAL 137 N -0.95 0.15 0.02 2.04 2.07 -0.44 0.39 116.25 119.54 2yqe h VAL 137 Ca -0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2yqe h VAL 137 Cb 0.56 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2yqe h VAL 137 CO 0.09 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.44 2yqe h ALA 138 N 1.11 0.02 -0.03 1.67 0.00 -0.66 -3.32 119.26 118.05 2yqe h ALA 138 Ca 0.75 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2yqe h ALA 138 Cb 3.11 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.99 2yqe h ALA 138 CO -0.01 0.13 0.03 0.37 0.00 0.00 0.00 179.25 179.77 2yqe h GLN 139 N -0.91 0.00 0.00 0.00 4.15 0.24 -0.73 115.11 117.86 2yqe h GLN 139 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 2yqe h GLN 139 Cb 1.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 2yqe h GLN 139 CO 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 178.83 176.88 2yqe h ARG 140 N 0.00 0.00 -0.46 1.69 2.47 -0.97 0.84 114.38 117.95 2yqe h ARG 140 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2yqe h ARG 140 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2yqe h ARG 140 CO -0.00 0.02 0.00 -0.11 0.56 0.00 0.00 179.97 180.44 2yqe n LEU 141 N -3.96 2.30 -2.02 3.04 7.94 -0.28 -4.90 117.00 119.13 2yqe n LEU 141 Ca -0.03 -1.16 -0.08 0.00 -1.11 0.00 0.00 56.01 53.64 2yqe n LEU 141 Cb 0.10 -0.32 0.04 0.00 0.53 0.00 0.00 43.42 43.77 2yqe n LEU 141 CO 0.29 0.49 0.05 1.41 -1.11 0.00 0.00 177.39 178.52 2yqe n HIS 142 N 0.54 -0.97 -3.96 1.96 8.25 0.29 -5.05 115.22 116.28 2yqe n HIS 142 Ca 0.13 0.41 -0.22 0.00 -0.26 0.00 0.00 57.72 57.77 2yqe n HIS 142 Cb 0.40 -3.26 -0.02 0.00 1.12 0.00 0.00 29.99 28.23 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 -3.15 3.46 -0.31 4.41 2.02 -1.23 -5.04 117.35 117.50 2yqe s TYR 143 Ca 0.03 0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.46 2yqe s TYR 143 Cb -0.01 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2yqe s TYR 143 CO 0.31 0.46 1.67 -1.25 -1.57 0.00 0.00 175.55 175.18 2yqe s PRO 144 N -3.78 3.52 -0.75 -1.71 0.04 -1.26 -4.73 135.00 126.33 2yqe s PRO 144 Ca 0.34 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 2yqe s PRO 144 Cb -0.10 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 2yqe s PRO 144 CO 0.29 -1.63 1.90 -1.25 0.04 0.00 0.00 177.00 176.35 2yqe s PRO 145 N 5.23 2.59 0.00 0.56 0.04 -1.26 -4.00 135.00 138.16 2yqe s PRO 145 Ca 0.74 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2yqe s PRO 145 Cb -0.22 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2yqe s PRO 145 CO 0.32 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2yqe n GLY 146 N 6.25 -1.57 3.64 0.56 0.00 -1.26 -5.14 105.19 107.67 2yqe n GLY 146 Ca 0.30 0.55 -0.40 0.00 0.00 0.00 0.00 46.02 46.47 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 1.40 -1.77 1.61 4.76 -1.26 -4.76 118.16 118.15 2yqe n LYS 147 Ca 0.00 0.51 -0.19 0.00 -2.87 0.00 0.00 58.31 55.76 2yqe n LYS 147 Cb 0.00 -2.19 -0.09 0.00 -1.84 0.00 0.00 35.03 30.91 2yqe n LYS 147 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2yqe s ASN 148 N -0.82 4.00 -0.15 4.39 3.84 -1.26 -4.61 114.94 120.33 2yqe s ASN 148 Ca 0.66 -1.13 -0.17 0.00 0.21 0.00 0.00 52.86 52.44 2yqe s ASN 148 Cb -0.50 -2.59 -0.24 0.00 -0.55 0.00 0.00 41.25 37.37 2yqe s ASN 148 CO 0.54 -4.14 0.39 0.40 -2.79 0.00 0.00 177.10 171.50 2yqe h ILE 149 N 6.61 0.92 -0.90 -5.21 2.04 -1.92 -3.37 117.51 115.68 2yqe h ILE 149 Ca 0.08 -2.30 0.26 0.00 1.00 0.00 0.00 64.86 63.90 2yqe h ILE 149 Cb 0.98 2.50 -0.17 0.00 -0.74 0.00 0.00 36.82 39.39 2yqe h ILE 149 CO 1.09 0.59 0.06 0.61 0.00 0.00 0.00 178.15 180.50 2yqe n GLY 150 N 1.67 -1.17 0.11 5.37 0.00 -1.26 0.36 105.19 110.26 2yqe n GLY 150 Ca -0.29 0.87 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.16 -0.55 1.61 0.02 -1.96 -2.12 113.55 110.40 2yqe h SER 151 Ca 0.57 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.60 2yqe h SER 151 Cb 1.21 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.69 2yqe h SER 151 CO -0.83 -0.08 -0.04 0.25 -1.14 0.00 0.00 176.83 174.99 2yqe h LEU 152 N -0.22 -0.32 0.30 5.07 6.46 -0.26 -1.65 115.31 124.71 2yqe h LEU 152 Ca -0.02 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2yqe h LEU 152 Cb 0.17 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2yqe h LEU 152 CO 0.03 -0.12 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.46 2yqe h LEU 153 N 0.08 -0.52 -0.95 2.25 3.38 -1.15 -1.49 115.31 116.91 2yqe h LEU 153 Ca 0.28 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.55 2yqe h LEU 153 Cb 0.43 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 2yqe h LEU 153 CO -0.49 -0.30 0.03 -1.14 0.09 0.00 0.00 178.44 176.63 2yqe n ARG 154 N -3.54 -0.08 0.08 1.13 0.63 -0.81 -1.35 116.66 112.71 2yqe n ARG 154 Ca -0.06 1.42 -0.03 0.00 -0.92 0.00 0.00 57.85 58.26 2yqe n ARG 154 Cb 0.20 -2.26 -0.01 0.00 0.45 0.00 0.00 32.46 30.83 2yqe n ARG 154 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yqe h SER 155 N 0.00 -0.17 -0.73 6.15 0.87 -1.06 -1.64 113.55 116.98 2yqe h SER 155 Ca 0.58 0.01 0.21 0.00 -1.23 0.00 0.00 61.79 61.36 2yqe h SER 155 Cb 1.22 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2yqe h SER 155 CO -0.89 -0.12 1.06 0.45 -0.53 0.00 0.00 176.83 176.81 2yqe h HIS 156 N -0.20 0.00 0.00 2.24 3.86 -0.16 0.95 115.15 121.84 2yqe h HIS 156 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2yqe h HIS 156 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2yqe h HIS 156 CO 0.19 0.00 -0.00 -0.92 0.86 0.00 0.00 177.93 178.06 2yqe h TYR 157 N 0.00 -0.00 -0.00 2.45 5.03 -0.72 -0.56 116.97 123.17 2yqe h TYR 157 Ca 0.34 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.65 2yqe h TYR 157 Cb 2.47 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.75 2yqe h TYR 157 CO 0.00 0.91 -0.08 0.39 -1.32 0.00 0.00 178.16 178.06 2yqe n GLU 158 N -4.65 0.02 -0.08 1.82 -0.58 0.23 0.14 120.64 117.53 2yqe n GLU 158 Ca -0.10 -0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.44 2yqe n GLU 158 Cb 0.44 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.68 2yqe n GLU 158 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yqe n ARG 159 N -1.49 0.68 -0.05 3.49 5.12 0.27 -4.24 116.66 120.43 2yqe n ARG 159 Ca 0.07 0.22 -0.11 0.00 -1.93 0.00 0.00 57.85 56.10 2yqe n ARG 159 Cb 0.34 -1.60 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 2yqe n ARG 159 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2yqe n ILE 160 N -3.50 0.57 1.69 0.55 5.41 -0.26 -4.58 119.36 119.25 2yqe n ILE 160 Ca -0.41 -0.15 0.05 0.00 1.00 0.00 0.00 62.75 63.24 2yqe n ILE 160 Cb 0.98 -1.58 0.29 0.00 -0.71 0.00 0.00 39.64 38.63 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 -3.41 0.00 0.06 1.39 5.41 0.52 -3.58 119.36 119.75 2yqe n ILE 161 Ca -0.20 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.51 2yqe n ILE 161 Cb 0.65 -0.26 -0.02 0.00 -0.71 0.00 0.00 39.64 39.30 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 -0.22 -0.20 1.39 3.20 0.10 -3.06 116.97 118.18 2yqe h TYR 162 Ca 0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2yqe h TYR 162 Cb 0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2yqe h TYR 162 CO 0.00 -0.14 -0.44 -1.00 -1.64 0.00 0.00 178.16 174.95 2yqe h PRO 163 N -0.80 0.50 -0.73 1.82 0.13 -1.86 -2.58 132.00 128.48 2yqe h PRO 163 Ca -0.02 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2yqe h PRO 163 Cb 0.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.28 2yqe h PRO 163 CO 0.04 0.84 0.46 -0.92 -0.23 0.00 0.00 178.00 178.19 2yqe h TYR 164 N 0.41 0.94 0.26 1.56 3.20 -1.72 0.79 116.97 122.41 2yqe h TYR 164 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2yqe h TYR 164 Cb 0.93 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2yqe h TYR 164 CO 0.03 0.62 -0.12 0.93 -1.64 0.00 0.00 178.16 177.98 2yqe h GLU 165 N 0.99 -0.33 0.76 1.82 5.08 -1.49 -1.97 114.58 119.44 2yqe h GLU 165 Ca 0.26 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2yqe h GLU 165 Cb -0.07 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2yqe h GLU 165 CO -0.05 0.03 -0.36 0.52 -1.00 0.00 0.00 179.01 178.14 2yqe h MET 166 N -0.85 -0.98 -0.41 2.33 2.86 -1.41 -1.82 114.93 114.65 2yqe h MET 166 Ca -0.04 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2yqe h MET 166 Cb 0.51 0.22 -0.09 0.00 0.06 0.00 0.00 31.60 32.30 2yqe h MET 166 CO 0.06 -0.64 -0.34 0.35 1.06 0.00 0.00 176.91 177.40 2yqe h PHE 167 N -1.16 -0.95 -1.13 -0.22 3.04 0.48 -0.71 116.94 116.29 2yqe h PHE 167 Ca -0.10 0.06 -0.55 0.00 3.98 0.00 0.00 57.97 61.36 2yqe h PHE 167 Cb 0.80 0.48 -0.21 0.00 2.56 0.00 0.00 35.95 39.58 2yqe h PHE 167 CO -0.00 -0.39 0.62 1.04 -2.02 0.00 0.00 178.31 177.56 2yqe n GLN 168 N -5.42 2.39 -3.19 1.11 1.13 -0.74 -4.88 117.38 107.79 2yqe n GLN 168 Ca 0.01 -2.58 -0.45 0.00 -1.94 0.00 0.00 57.00 52.04 2yqe n GLN 168 Cb 0.34 -2.08 -0.04 0.00 0.11 0.00 0.00 30.24 28.57 2yqe n GLN 168 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2yqe s SER 169 N -0.34 6.28 -0.43 1.08 0.15 -0.27 -4.84 113.70 115.32 2yqe s SER 169 Ca 0.52 -1.73 0.04 0.00 0.70 0.00 0.00 55.95 55.49 2yqe s SER 169 Cb 0.39 -2.27 0.19 0.00 -1.71 0.00 0.00 66.02 62.62 2yqe s SER 169 CO -0.19 -0.97 0.76 -0.83 1.20 0.00 0.00 173.24 173.22 2yqe s GLY 170 N 3.45 -1.37 0.00 9.45 0.00 -1.26 -5.05 107.32 112.55 2yqe s GLY 170 Ca 0.11 0.14 0.32 0.00 0.00 0.00 0.00 44.72 45.28 2yqe s GLY 170 CO 0.03 3.80 2.22 0.00 0.00 0.00 0.00 173.10 179.15