#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 s SER 2 N 0.00 6.93 -0.37 1.61 1.04 -1.26 -5.04 113.70 116.62 1wg7 s SER 2 Ca 0.00 1.37 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1wg7 s SER 2 Cb 0.00 -2.41 0.18 0.00 0.10 0.00 0.00 66.02 63.90 1wg7 s SER 2 CO 0.00 -0.09 0.76 -0.44 0.98 0.00 0.00 173.24 174.45 1wg7 s SER 3 N -1.95 -1.16 0.00 7.02 0.01 -1.26 -5.15 113.70 111.21 1wg7 s SER 3 Ca 0.49 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wg7 s SER 3 Cb -0.14 1.53 0.00 0.00 0.21 0.00 0.00 66.02 67.62 1wg7 s SER 3 CO 0.19 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wg7 n GLY 4 N 4.40 1.26 2.44 3.44 0.00 -1.26 -5.06 105.19 110.41 1wg7 n GLY 4 Ca 0.09 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1wg7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 5 N -1.00 1.74 0.14 1.61 0.15 -1.26 -5.11 113.70 109.97 1wg7 s SER 5 Ca 0.00 -3.10 -0.06 0.00 0.70 0.00 0.00 55.95 53.49 1wg7 s SER 5 Cb 0.00 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.76 1wg7 s SER 5 CO 0.00 -0.17 0.18 -0.94 1.20 0.00 0.00 173.24 173.51 1wg7 s SER 6 N -0.03 0.17 -0.30 5.45 1.04 -1.26 -5.15 113.70 113.62 1wg7 s SER 6 Ca 0.32 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 1wg7 s SER 6 Cb 0.02 0.37 0.18 0.00 0.10 0.00 0.00 66.02 66.69 1wg7 s SER 6 CO -0.19 -0.81 1.10 -0.83 0.98 0.00 0.00 173.24 173.50 1wg7 s GLY 7 N -2.99 -0.36 0.05 7.32 0.00 -1.26 -5.15 107.32 104.93 1wg7 s GLY 7 Ca 0.18 2.78 -0.18 0.00 0.00 0.00 0.00 44.72 47.50 1wg7 s GLY 7 CO -0.01 3.91 0.41 0.00 0.00 0.00 0.00 173.10 177.41 1wg7 s ALA 8 N 2.97 -1.00 -0.30 3.20 0.00 -1.26 -5.15 121.76 120.21 1wg7 s ALA 8 Ca 0.01 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 1wg7 s ALA 8 Cb -0.08 0.39 0.18 0.00 0.00 0.00 0.00 23.12 23.60 1wg7 s ALA 8 CO -0.12 -0.48 1.08 0.00 0.00 0.00 0.00 175.76 176.25 1wg7 s ALA 9 N -2.62 -3.44 0.52 0.00 0.00 -1.26 -5.07 121.76 109.89 1wg7 s ALA 9 Ca -0.04 1.48 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 1wg7 s ALA 9 Cb -0.01 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 1wg7 s ALA 9 CO -0.03 -1.40 1.06 -1.54 0.00 0.00 0.00 175.76 173.85 1wg7 s SER 10 N 2.87 6.09 -0.00 0.00 1.04 -1.26 -5.03 113.70 117.40 1wg7 s SER 10 Ca -0.02 1.97 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 1wg7 s SER 10 Cb -0.09 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 1wg7 s SER 10 CO -0.11 -0.96 0.31 -0.22 0.98 0.00 0.00 173.24 173.24 1wg7 s LEU 11 N -3.74 4.40 0.00 2.42 2.96 -1.26 -4.89 118.68 118.57 1wg7 s LEU 11 Ca 0.68 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1wg7 s LEU 11 Cb -0.18 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1wg7 s LEU 11 CO 0.25 0.28 0.00 0.61 -1.32 0.00 0.00 176.35 176.17 1wg7 n GLY 12 N 1.42 -0.07 3.67 7.98 0.00 -1.26 -5.10 105.19 111.84 1wg7 n GLY 12 Ca -0.13 -0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.18 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wg7 n SER 13 N 0.00 2.86 -4.70 1.61 3.41 -1.26 -4.96 113.62 110.58 1wg7 n SER 13 Ca 0.00 1.04 -0.27 0.00 -0.26 0.00 0.00 58.87 59.38 1wg7 n SER 13 Cb 0.00 -1.30 -0.08 0.00 -0.26 0.00 0.00 64.21 62.57 1wg7 n SER 13 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wg7 s GLN 14 N 2.82 2.12 -0.19 4.33 -0.21 -1.26 -5.13 119.66 122.14 1wg7 s GLN 14 Ca 0.90 -2.02 -0.04 0.00 0.02 0.00 0.00 55.36 54.22 1wg7 s GLN 14 Cb -0.82 -1.80 0.08 0.00 1.00 0.00 0.00 33.01 31.47 1wg7 s GLN 14 CO 0.52 -0.15 0.18 0.15 -2.12 0.00 0.00 175.29 173.87 1wg7 s LYS 15 N -3.85 0.15 0.00 2.91 1.02 -1.26 -5.04 119.74 113.68 1wg7 s LYS 15 Ca 0.34 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1wg7 s LYS 15 Cb 0.06 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1wg7 s LYS 15 CO 0.18 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1wg7 n GLY 16 N 5.31 0.99 0.00 -3.33 0.00 -1.26 -5.17 105.19 101.73 1wg7 n GLY 16 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wg7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg7 n GLY 17 N 0.00 0.82 0.00 -0.02 0.00 -1.26 -5.11 105.19 99.62 1wg7 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wg7 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg7 n ILE 18 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -5.16 119.36 117.74 1wg7 n ILE 18 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1wg7 n ILE 18 Cb 0.00 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 1wg7 n ILE 18 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1wg7 n THR 19 N -0.30 0.00 0.00 1.39 5.66 -1.26 -4.93 114.28 114.84 1wg7 n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wg7 n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wg7 n THR 19 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1wg7 n LYS 20 N -0.67 0.00 -3.74 1.09 4.81 -1.26 -5.01 118.16 113.38 1wg7 n LYS 20 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1wg7 n LYS 20 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1wg7 n LYS 20 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1wg7 s HIS 21 N -1.98 -0.14 0.00 5.64 -3.43 -1.26 -1.56 115.29 112.56 1wg7 s HIS 21 Ca 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 1wg7 s HIS 21 Cb 0.00 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1wg7 s HIS 21 CO 0.00 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 172.65 1wg7 n GLY 22 N 0.66 3.57 3.68 -1.38 0.00 -1.24 -5.03 105.19 105.45 1wg7 n GLY 22 Ca -0.19 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1wg7 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wg7 s TRP 23 N -2.00 2.86 0.12 1.61 0.52 -1.26 -2.45 118.94 118.33 1wg7 s TRP 23 Ca 0.00 0.86 0.06 0.00 0.02 0.00 0.00 56.10 57.03 1wg7 s TRP 23 Cb 0.00 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 1wg7 s TRP 23 CO 0.00 -2.29 -0.13 -1.17 0.02 0.00 0.00 176.95 173.37 1wg7 s LEU 24 N 2.54 2.41 -0.26 2.99 2.96 0.14 -4.88 118.68 124.57 1wg7 s LEU 24 Ca 0.62 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1wg7 s LEU 24 Cb -0.30 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 1wg7 s LEU 24 CO 0.25 -0.16 0.10 -0.31 -1.32 0.00 0.00 176.35 174.91 1wg7 s TYR 25 N -2.20 3.12 -0.02 5.38 1.51 0.15 0.14 117.35 125.43 1wg7 s TYR 25 Ca 0.09 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1wg7 s TYR 25 Cb -0.04 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1wg7 s TYR 25 CO 0.03 -0.34 -0.25 0.21 -1.11 0.00 0.00 175.55 174.09 1wg7 s LYS 26 N 1.64 2.13 0.00 -0.62 2.20 -0.86 0.35 119.74 124.57 1wg7 s LYS 26 Ca 0.06 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1wg7 s LYS 26 Cb -0.16 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1wg7 s LYS 26 CO 0.05 0.56 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1wg7 n GLY 27 N 2.35 5.44 3.16 5.54 0.00 0.58 -2.30 105.19 119.96 1wg7 n GLY 27 Ca -0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg7 s ASN 28 N 1.00 -0.75 1.02 1.61 2.47 -1.22 -4.03 114.94 115.04 1wg7 s ASN 28 Ca 0.00 0.80 -0.12 0.00 0.42 0.00 0.00 52.86 53.96 1wg7 s ASN 28 Cb 0.00 1.79 0.18 0.00 -1.45 0.00 0.00 41.25 41.77 1wg7 s ASN 28 CO 0.00 -0.26 0.97 0.23 -3.72 0.00 0.00 177.10 174.31 1wg7 n MET 29 N 5.41 -1.17 0.00 0.43 2.81 -1.16 -3.62 117.12 119.82 1wg7 n MET 29 Ca -0.04 -0.29 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 1wg7 n MET 29 Cb 0.50 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 1wg7 n MET 29 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wg7 n ASN 30 N -4.04 0.00 -0.25 7.83 5.15 -1.26 -4.58 115.26 118.10 1wg7 n ASN 30 Ca 0.08 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.95 1wg7 n ASN 30 Cb 0.53 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.70 1wg7 n ASN 30 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wg7 h SER 31 N 0.00 -1.76 -2.65 1.20 0.02 -1.97 -3.33 113.55 105.05 1wg7 h SER 31 Ca 0.00 0.25 -0.55 0.00 -0.84 0.00 0.00 61.79 60.65 1wg7 h SER 31 Cb 0.00 0.75 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1wg7 h SER 31 CO 0.00 -0.27 1.08 0.00 -1.14 0.00 0.00 176.83 176.50 1wg7 s ALA 32 N -5.33 3.57 0.15 3.77 0.00 -1.26 -4.86 121.76 117.80 1wg7 s ALA 32 Ca -0.11 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1wg7 s ALA 32 Cb 0.08 -3.75 0.05 0.00 0.00 0.00 0.00 23.12 19.50 1wg7 s ALA 32 CO 0.53 -1.46 1.64 0.97 0.00 0.00 0.00 175.76 177.44 1wg7 h ILE 33 N 5.66 0.46 -1.30 0.00 6.09 -1.99 0.76 117.51 127.19 1wg7 h ILE 33 Ca -0.37 0.00 0.38 0.00 -1.37 0.00 0.00 64.86 63.49 1wg7 h ILE 33 Cb 1.17 0.46 -0.05 0.00 0.47 0.00 0.00 36.82 38.86 1wg7 h ILE 33 CO 0.96 0.00 0.97 -1.28 -3.07 0.00 0.00 178.15 175.73 1wg7 h SER 34 N -0.17 0.00 0.00 2.19 0.87 -1.91 0.15 113.55 114.68 1wg7 h SER 34 Ca 0.15 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 1wg7 h SER 34 Cb 0.41 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1wg7 h SER 34 CO -0.39 0.00 -1.05 0.58 -0.53 0.00 0.00 176.83 175.44 1wg7 h VAL 35 N 0.00 0.97 -1.81 2.23 2.07 -0.49 -3.27 116.25 115.95 1wg7 h VAL 35 Ca 0.62 -2.13 0.54 0.00 0.82 0.00 0.00 66.70 66.55 1wg7 h VAL 35 Cb 2.55 2.23 -0.09 0.00 -1.52 0.00 0.00 31.29 34.46 1wg7 h VAL 35 CO -0.01 0.33 1.27 1.07 0.02 0.00 0.00 177.57 180.26 1wg7 n THR 36 N -4.47 -0.06 -0.03 2.57 5.66 0.22 0.16 114.28 118.32 1wg7 n THR 36 Ca -0.28 1.55 -0.16 0.00 -3.05 0.00 0.00 64.05 62.12 1wg7 n THR 36 Cb 0.63 -2.57 -0.13 0.00 -1.55 0.00 0.00 70.33 66.71 1wg7 n THR 36 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1wg7 h MET 37 N 0.00 0.12 -6.21 1.09 2.86 -1.40 -3.07 114.93 108.32 1wg7 h MET 37 Ca 0.92 -0.17 -0.44 0.00 -2.06 0.00 0.00 59.70 57.94 1wg7 h MET 37 Cb 3.50 0.06 0.03 0.00 0.06 0.00 0.00 31.60 35.25 1wg7 h MET 37 CO -0.13 1.03 -0.86 0.54 1.06 0.00 0.00 176.91 178.55 1wg7 n ARG 38 N -4.47 -3.88 -3.67 1.72 5.12 0.41 -2.72 116.66 109.17 1wg7 n ARG 38 Ca -0.11 0.54 -0.26 0.00 -1.93 0.00 0.00 57.85 56.09 1wg7 n ARG 38 Cb 0.57 -4.87 0.01 0.00 -1.16 0.00 0.00 32.46 27.00 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wg7 n SER 39 N -2.99 -4.64 -4.55 0.55 7.64 -1.26 -4.55 113.62 103.82 1wg7 n SER 39 Ca -0.27 -0.78 -0.65 0.00 1.01 0.00 0.00 58.87 58.18 1wg7 n SER 39 Cb 0.67 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.27 1wg7 n SER 39 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wg7 n PHE 40 N -2.06 1.63 -3.71 1.43 3.72 -1.10 -4.89 117.46 112.47 1wg7 n PHE 40 Ca -0.27 1.06 -0.37 0.00 -0.05 0.00 0.00 57.45 57.83 1wg7 n PHE 40 Cb 0.66 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.91 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wg7 s LYS 41 N 3.35 3.91 -0.14 -1.08 -0.14 -0.97 -4.86 119.74 119.82 1wg7 s LYS 41 Ca 1.04 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 55.01 1wg7 s LYS 41 Cb -1.46 -3.48 -0.01 0.00 -1.68 0.00 0.00 37.83 31.20 1wg7 s LYS 41 CO 0.78 -0.05 1.13 0.50 -0.76 0.00 0.00 175.35 176.94 1wg7 s ARG 42 N 1.33 4.32 0.11 1.68 3.52 -1.26 -2.03 118.95 126.62 1wg7 s ARG 42 Ca 0.06 1.52 0.02 0.00 -0.13 0.00 0.00 55.73 57.21 1wg7 s ARG 42 Cb -0.15 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1wg7 s ARG 42 CO 0.06 -0.52 -0.07 1.03 -0.81 0.00 0.00 175.30 174.99 1wg7 s ARG 43 N 2.70 0.87 -0.72 5.12 0.52 0.38 -4.87 118.95 122.95 1wg7 s ARG 43 Ca 0.51 -1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 54.11 1wg7 s ARG 43 Cb -0.20 -0.27 0.05 0.00 0.52 0.00 0.00 34.95 35.05 1wg7 s ARG 43 CO 0.15 -0.01 1.17 0.12 0.02 0.00 0.00 175.30 176.76 1wg7 s PHE 44 N -3.58 2.43 -0.52 -0.53 5.36 -1.06 0.26 117.98 120.35 1wg7 s PHE 44 Ca 0.13 -0.26 -0.21 0.00 -0.96 0.00 0.00 56.93 55.62 1wg7 s PHE 44 Cb 0.05 -4.51 0.05 0.00 -0.34 0.00 0.00 43.02 38.27 1wg7 s PHE 44 CO -0.04 -1.92 0.76 -0.06 -1.46 0.00 0.00 175.22 172.50 1wg7 s PHE 45 N 5.10 2.94 -0.18 10.12 0.40 -1.03 -0.39 117.98 134.95 1wg7 s PHE 45 Ca 0.31 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1wg7 s PHE 45 Cb -0.11 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.64 1wg7 s PHE 45 CO 0.12 -1.15 0.03 -1.58 0.70 0.00 0.00 175.22 173.34 1wg7 s HIS 46 N 3.21 3.15 -0.09 0.36 5.65 0.12 -3.64 115.29 124.05 1wg7 s HIS 46 Ca 0.22 -0.11 -0.22 0.00 0.25 0.00 0.00 55.06 55.21 1wg7 s HIS 46 Cb -0.16 -2.05 -0.04 0.00 -1.18 0.00 0.00 32.58 29.15 1wg7 s HIS 46 CO 0.16 0.03 0.63 -1.17 -0.65 0.00 0.00 174.74 173.74 1wg7 s LEU 47 N 0.50 4.29 0.02 8.88 2.96 -0.60 -1.54 118.68 133.19 1wg7 s LEU 47 Ca 0.01 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1wg7 s LEU 47 Cb -0.13 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1wg7 s LEU 47 CO 0.02 -0.10 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.35 1wg7 s ILE 48 N 0.85 0.69 0.05 6.68 2.07 -0.62 -4.52 121.20 126.40 1wg7 s ILE 48 Ca 0.33 -0.74 -0.25 0.00 -1.41 0.00 0.00 60.65 58.58 1wg7 s ILE 48 Cb -0.17 -0.65 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1wg7 s ILE 48 CO 0.15 -0.06 0.77 -1.58 -1.91 0.00 0.00 174.94 172.31 1wg7 s GLN 49 N -0.89 4.51 0.12 3.50 0.74 -1.26 -0.46 119.66 125.91 1wg7 s GLN 49 Ca -0.02 1.08 -0.02 0.00 0.05 0.00 0.00 55.36 56.46 1wg7 s GLN 49 Cb -0.06 -3.36 0.03 0.00 1.10 0.00 0.00 33.01 30.71 1wg7 s GLN 49 CO 0.00 0.30 0.06 1.28 -0.55 0.00 0.00 175.29 176.38 1wg7 n LEU 50 N 2.74 0.00 -0.18 3.68 7.99 0.52 -4.65 117.00 127.10 1wg7 n LEU 50 Ca -0.02 -0.06 0.02 0.00 -0.01 0.00 0.00 56.01 55.93 1wg7 n LEU 50 Cb 0.50 -0.08 0.06 0.00 -0.11 0.00 0.00 43.42 43.78 1wg7 n LEU 50 CO 0.47 -1.48 0.32 0.61 -1.51 0.00 0.00 177.39 175.80 1wg7 n GLY 51 N -0.32 -0.89 0.00 -0.72 0.00 -1.26 -4.10 105.19 97.90 1wg7 n GLY 51 Ca 0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wg7 n ASP 52 N -4.79 0.00 0.00 1.61 -0.08 -1.26 -5.08 116.55 106.95 1wg7 n ASP 52 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1wg7 n ASP 52 Cb 0.24 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg7 n GLY 53 N 0.00 -1.49 3.58 0.27 0.00 -1.26 -5.14 105.19 101.15 1wg7 n GLY 53 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 1wg7 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 54 N -4.00 1.90 0.36 1.61 1.04 -1.26 -4.65 113.70 108.70 1wg7 s SER 54 Ca 0.00 1.76 0.09 0.00 0.48 0.00 0.00 55.95 58.28 1wg7 s SER 54 Cb 0.00 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 1wg7 s SER 54 CO 0.00 -3.67 -0.06 -0.31 0.98 0.00 0.00 173.24 170.18 1wg7 s TYR 55 N -2.57 2.45 -0.19 5.02 1.51 -1.26 0.19 117.35 122.49 1wg7 s TYR 55 Ca 0.67 -0.54 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1wg7 s TYR 55 Cb -0.23 -1.49 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 1wg7 s TYR 55 CO 0.61 0.54 0.47 -0.80 -1.11 0.00 0.00 175.55 175.26 1wg7 s ASN 56 N -3.65 -0.60 -0.56 2.29 -0.87 0.39 -4.26 114.94 107.69 1wg7 s ASN 56 Ca 0.33 1.02 -0.20 0.00 -1.57 0.00 0.00 52.86 52.44 1wg7 s ASN 56 Cb 0.04 0.90 0.07 0.00 -0.02 0.00 0.00 41.25 42.24 1wg7 s ASN 56 CO 0.17 -0.20 0.74 -0.22 -2.57 0.00 0.00 177.10 175.02 1wg7 s LEU 57 N 1.42 4.88 -0.15 0.60 2.96 -1.16 -1.59 118.68 125.63 1wg7 s LEU 57 Ca -0.09 -1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 52.77 1wg7 s LEU 57 Cb -0.08 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1wg7 s LEU 57 CO -0.14 -1.08 0.03 0.20 -1.32 0.00 0.00 176.35 174.04 1wg7 s ASN 58 N 3.13 5.41 -0.02 3.68 0.01 -0.59 -0.24 114.94 126.31 1wg7 s ASN 58 Ca 0.17 0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.42 1wg7 s ASN 58 Cb -0.19 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 1wg7 s ASN 58 CO 0.11 0.23 -0.11 0.72 -1.51 0.00 0.00 177.10 176.54 1wg7 s PHE 59 N 0.05 2.79 0.49 2.20 -0.71 -1.24 0.13 117.98 121.67 1wg7 s PHE 59 Ca 0.04 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 55.88 1wg7 s PHE 59 Cb -0.13 -1.61 -0.01 0.00 -1.21 0.00 0.00 43.02 40.06 1wg7 s PHE 59 CO 0.01 0.28 0.17 0.71 -1.34 0.00 0.00 175.22 175.06 1wg7 s TYR 60 N -0.86 2.06 0.18 3.49 1.51 0.48 -1.48 117.35 122.72 1wg7 s TYR 60 Ca 0.14 -0.79 0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1wg7 s TYR 60 Cb -0.11 -1.82 0.37 0.00 -0.11 0.00 0.00 41.96 40.30 1wg7 s TYR 60 CO 0.04 0.02 1.60 1.57 -1.11 0.00 0.00 175.55 177.66 1wg7 h LYS 61 N 1.22 0.00 0.00 -0.62 2.10 -1.90 -2.80 116.57 114.56 1wg7 h LYS 61 Ca -0.41 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.21 1wg7 h LYS 61 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1wg7 h LYS 61 CO 0.68 0.57 -0.02 -0.25 -2.00 0.00 0.00 179.45 178.44 1wg7 n ASP 62 N -3.60 -0.08 0.03 7.07 8.00 -1.26 -4.67 116.55 122.04 1wg7 n ASP 62 Ca -0.00 -1.14 -0.11 0.00 0.71 0.00 0.00 54.79 54.24 1wg7 n ASP 62 Cb 0.63 0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.89 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wg7 h GLU 63 N 0.00 0.51 -5.83 -1.24 5.08 -1.93 -3.41 114.58 107.77 1wg7 h GLU 63 Ca -0.02 -0.40 -0.48 0.00 -1.00 0.00 0.00 59.36 57.45 1wg7 h GLU 63 Cb 0.08 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1wg7 h GLU 63 CO 0.02 1.03 1.47 0.15 -1.00 0.00 0.00 179.01 180.69 1wg7 s LYS 64 N -3.70 2.40 0.00 2.33 1.02 -1.26 -4.91 119.74 115.62 1wg7 s LYS 64 Ca -0.07 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1wg7 s LYS 64 Cb 0.10 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 1wg7 s LYS 64 CO 0.85 -2.96 0.00 0.44 -0.92 0.00 0.00 175.35 172.76 1wg7 n ILE 65 N 7.54 0.00 0.00 2.17 -5.35 -1.26 -4.69 119.36 117.76 1wg7 n ILE 65 Ca 0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.75 1wg7 n ILE 65 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -3.23 7.28 2.88 -1.26 -4.93 113.62 114.36 1wg7 n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg7 n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wg7 n SER 66 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wg7 n LYS 67 N 0.00 0.16 -2.98 -1.46 5.02 -1.26 -4.96 118.16 112.68 1wg7 n LYS 67 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1wg7 n LYS 67 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1wg7 n LYS 67 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wg7 s GLU 68 N -1.14 4.47 0.71 1.97 2.12 -1.26 -5.05 118.70 120.52 1wg7 s GLU 68 Ca 0.00 1.02 -0.11 0.00 0.36 0.00 0.00 54.97 56.24 1wg7 s GLU 68 Cb 0.00 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1wg7 s GLU 68 CO 0.00 0.12 1.07 -1.25 -0.54 0.00 0.00 175.26 174.66 1wg7 s PRO 69 N 0.55 2.80 0.39 4.30 0.04 -1.26 -4.91 135.00 136.92 1wg7 s PRO 69 Ca 0.40 0.90 0.21 0.00 0.04 0.00 0.00 61.00 62.56 1wg7 s PRO 69 Cb -0.19 -1.98 0.59 0.00 0.04 0.00 0.00 34.50 32.97 1wg7 s PRO 69 CO 0.21 -1.18 1.68 0.87 0.04 0.00 0.00 177.00 178.62 1wg7 h LYS 70 N -0.78 0.00 0.00 4.56 1.79 -1.61 -3.49 116.57 117.04 1wg7 h LYS 70 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1wg7 h LYS 70 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1wg7 h LYS 70 CO 0.57 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 179.64 1wg7 n GLY 71 N 0.59 -0.74 3.62 3.86 0.00 -1.25 -5.05 105.19 106.22 1wg7 n GLY 71 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1wg7 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 72 N -4.00 -0.09 -0.28 1.61 0.15 -1.26 -3.73 113.70 106.11 1wg7 s SER 72 Ca 0.00 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1wg7 s SER 72 Cb 0.00 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1wg7 s SER 72 CO 0.00 -0.12 0.04 -0.63 1.20 0.00 0.00 173.24 173.72 1wg7 s ILE 73 N -1.88 3.63 -1.02 6.45 1.01 0.66 -4.95 121.20 125.10 1wg7 s ILE 73 Ca 0.09 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 1wg7 s ILE 73 Cb -0.01 -2.87 -0.12 0.00 0.01 0.00 0.00 42.46 39.48 1wg7 s ILE 73 CO -0.04 0.12 1.92 0.49 0.00 0.00 0.00 174.94 177.42 1wg7 n PHE 74 N 4.80 2.42 0.09 3.97 3.01 -1.26 -3.01 117.46 127.48 1wg7 n PHE 74 Ca -0.15 -1.61 0.20 0.00 1.01 0.00 0.00 57.45 56.90 1wg7 n PHE 74 Cb 0.48 -2.26 0.70 0.00 -0.01 0.00 0.00 39.48 38.39 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1wg7 h LEU 75 N 16.19 0.00 -2.73 4.37 3.38 -1.93 1.39 115.31 135.99 1wg7 h LEU 75 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wg7 h LEU 75 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wg7 h LEU 75 CO 1.52 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 179.26 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.58 -1.83 -2.17 116.42 115.57 1wg7 h ASP 76 Ca 0.20 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.48 1wg7 h ASP 76 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1wg7 h ASP 76 CO -0.00 0.01 -1.72 -1.20 -2.88 0.00 0.00 179.24 173.45 1wg7 n SER 77 N -3.22 2.31 -4.66 2.28 7.64 0.46 -4.99 113.62 113.45 1wg7 n SER 77 Ca -0.03 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.28 1wg7 n SER 77 Cb 0.10 0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 64.11 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 h MET 79 N 5.78 0.29 0.00 0.00 0.00 0.19 -3.47 114.93 117.72 1wg7 h MET 79 Ca -0.47 -0.50 0.00 0.00 0.00 0.00 0.00 59.70 58.73 1wg7 h MET 79 Cb 1.34 0.19 0.00 0.00 0.00 0.00 0.00 31.60 33.12 1wg7 h MET 79 CO 0.88 1.19 0.00 0.41 0.00 0.00 0.00 176.91 179.39 1wg7 n GLY 80 N 1.63 1.04 3.67 8.32 0.00 -1.03 -4.94 105.19 113.88 1wg7 n GLY 80 Ca -0.14 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1wg7 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wg7 s VAL 81 N -2.00 4.65 0.45 1.61 1.01 -1.26 -0.53 120.40 124.33 1wg7 s VAL 81 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1wg7 s VAL 81 Cb 0.00 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1wg7 s VAL 81 CO 0.00 0.54 0.41 0.68 0.00 0.00 0.00 175.10 176.73 1wg7 s VAL 82 N -0.26 2.47 -0.28 2.92 -7.23 0.84 -4.97 120.40 113.89 1wg7 s VAL 82 Ca 0.07 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.84 1wg7 s VAL 82 Cb -0.12 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1wg7 s VAL 82 CO 0.02 0.00 0.07 -1.10 -0.31 0.00 0.00 175.10 173.77 1wg7 s GLN 83 N -4.19 3.18 -0.66 4.82 -0.21 -1.26 -2.65 119.66 118.68 1wg7 s GLN 83 Ca 0.47 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 55.10 1wg7 s GLN 83 Cb -0.03 -3.33 0.16 0.00 1.00 0.00 0.00 33.01 30.81 1wg7 s GLN 83 CO 0.28 -0.39 0.44 1.21 -2.12 0.00 0.00 175.29 174.70 1wg7 s ASN 84 N 1.51 4.76 -0.33 5.90 2.47 0.18 -4.90 114.94 124.53 1wg7 s ASN 84 Ca 0.03 -3.55 0.00 0.00 0.42 0.00 0.00 52.86 49.76 1wg7 s ASN 84 Cb -0.17 -1.66 0.32 0.00 -1.45 0.00 0.00 41.25 38.29 1wg7 s ASN 84 CO 0.02 -0.15 1.81 -3.20 -3.72 0.00 0.00 177.10 171.86 1wg7 n ASN 85 N 2.40 5.30 -0.02 -4.21 2.85 -1.24 -3.16 115.26 117.18 1wg7 n ASN 85 Ca 0.15 -3.09 -0.02 0.00 -0.11 0.00 0.00 54.58 51.51 1wg7 n ASN 85 Cb 0.34 -0.89 -0.01 0.00 1.24 0.00 0.00 39.78 40.46 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wg7 n LYS 86 N -0.14 0.11 0.27 1.20 4.76 -1.26 -4.71 118.16 118.40 1wg7 n LYS 86 Ca 0.36 0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.66 1wg7 n LYS 86 Cb 0.85 -0.69 -0.10 0.00 -1.84 0.00 0.00 35.03 33.26 1wg7 n LYS 86 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wg7 h VAL 87 N -0.21 0.04 -3.31 -0.18 -1.51 -1.94 -3.44 116.25 105.70 1wg7 h VAL 87 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.94 1wg7 h VAL 87 Cb 0.21 0.04 -0.18 0.00 -2.13 0.00 0.00 31.29 29.24 1wg7 h VAL 87 CO 0.00 0.00 -0.79 -0.13 -1.23 0.00 0.00 177.57 175.42 1wg7 s ARG 88 N -5.88 1.29 0.55 5.19 0.52 -1.26 -5.01 118.95 114.34 1wg7 s ARG 88 Ca -0.18 -1.41 0.25 0.00 -0.52 0.00 0.00 55.73 53.88 1wg7 s ARG 88 Cb 0.05 -1.37 1.48 0.00 0.52 0.00 0.00 34.95 35.62 1wg7 s ARG 88 CO 0.61 0.28 2.05 0.00 0.02 0.00 0.00 175.30 178.26 1wg7 h ARG 89 N 3.27 0.00 -2.09 3.54 -0.00 -1.85 -3.08 114.38 114.18 1wg7 h ARG 89 Ca -0.43 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.48 1wg7 h ARG 89 Cb 1.21 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.78 1wg7 h ARG 89 CO 0.50 0.00 -0.96 1.19 0.00 0.00 0.00 179.97 180.70 1wg7 n PHE 90 N -4.15 0.70 -4.82 3.04 3.72 -1.26 -4.78 117.46 109.92 1wg7 n PHE 90 Ca 0.05 -3.71 -0.27 0.00 -0.05 0.00 0.00 57.45 53.47 1wg7 n PHE 90 Cb 0.44 -0.38 -0.17 0.00 -0.94 0.00 0.00 39.48 38.44 1wg7 n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wg7 s ALA 91 N -1.45 1.57 0.01 4.37 0.00 -1.16 -1.70 121.76 123.38 1wg7 s ALA 91 Ca 0.36 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.74 1wg7 s ALA 91 Cb 0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1wg7 s ALA 91 CO -0.09 0.21 -0.17 -0.59 0.00 0.00 0.00 175.76 175.11 1wg7 s PHE 92 N 0.40 1.55 -0.03 0.00 -0.71 0.19 0.52 117.98 119.91 1wg7 s PHE 92 Ca -0.13 -0.32 -0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1wg7 s PHE 92 Cb -0.15 -0.97 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 1wg7 s PHE 92 CO 0.05 0.01 0.18 -2.00 -1.34 0.00 0.00 175.22 172.11 1wg7 s GLU 93 N -0.68 3.44 -0.37 1.99 2.12 -1.09 0.11 118.70 124.23 1wg7 s GLU 93 Ca 0.06 -0.29 -0.13 0.00 0.36 0.00 0.00 54.97 54.97 1wg7 s GLU 93 Cb -0.07 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1wg7 s GLU 93 CO 0.00 0.69 0.24 -0.51 -0.54 0.00 0.00 175.26 175.15 1wg7 s LEU 94 N -1.80 4.70 -0.39 2.70 2.01 0.55 -0.11 118.68 126.34 1wg7 s LEU 94 Ca 0.26 -0.68 -0.26 0.00 0.01 0.00 0.00 54.13 53.45 1wg7 s LEU 94 Cb -0.13 -2.11 0.02 0.00 0.01 0.00 0.00 46.19 43.98 1wg7 s LEU 94 CO 0.17 -0.33 0.93 -0.54 1.01 0.00 0.00 176.35 177.59 1wg7 s LYS 95 N 1.67 3.78 0.53 1.70 -0.14 0.31 -1.44 119.74 126.14 1wg7 s LYS 95 Ca 0.05 0.50 0.08 0.00 -1.36 0.00 0.00 55.97 55.24 1wg7 s LYS 95 Cb -0.18 -3.83 0.06 0.00 -1.68 0.00 0.00 37.83 32.20 1wg7 s LYS 95 CO 0.09 -1.02 0.72 -1.64 -0.76 0.00 0.00 175.35 172.75 1wg7 s MET 96 N 3.56 2.47 -0.01 1.68 -1.94 -0.64 0.19 119.30 124.62 1wg7 s MET 96 Ca 0.38 -1.43 0.15 0.00 -1.71 0.00 0.00 55.69 53.08 1wg7 s MET 96 Cb -0.11 -2.67 -0.19 0.00 2.01 0.00 0.00 34.83 33.87 1wg7 s MET 96 CO 0.21 -0.67 0.52 0.00 -0.01 0.00 0.00 175.02 175.06 1wg7 n GLN 97 N -2.14 1.44 -0.91 2.03 10.64 -1.09 -4.44 117.38 122.91 1wg7 n GLN 97 Ca 0.13 -0.05 -0.16 0.00 -1.83 0.00 0.00 57.00 55.08 1wg7 n GLN 97 Cb 0.60 -1.27 0.02 0.00 -0.86 0.00 0.00 30.24 28.74 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wg7 n ASP 98 N -1.62 6.36 -3.12 2.61 2.03 -1.26 -4.86 116.55 116.69 1wg7 n ASP 98 Ca 0.01 -3.01 -0.11 0.00 0.52 0.00 0.00 54.79 52.19 1wg7 n ASP 98 Cb 0.30 -1.08 0.01 0.00 -0.72 0.00 0.00 41.12 39.63 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wg7 n LYS 99 N 0.52 -1.71 0.00 -0.67 5.02 -1.26 -4.98 118.16 115.08 1wg7 n LYS 99 Ca 0.29 1.58 0.00 0.00 -2.02 0.00 0.00 58.31 58.16 1wg7 n LYS 99 Cb 0.57 -2.89 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wg7 n SER 100 N 0.55 0.00 -3.59 4.39 7.64 -1.26 -5.07 113.62 116.28 1wg7 n SER 100 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1wg7 n SER 100 Cb 0.43 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg7 s SER 101 N 0.00 -0.52 0.07 6.43 1.04 -1.25 -1.63 113.70 117.84 1wg7 s SER 101 Ca 0.00 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1wg7 s SER 101 Cb 0.00 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1wg7 s SER 101 CO 0.00 -0.33 0.19 -0.31 0.98 0.00 0.00 173.24 173.76 1wg7 s TYR 102 N -0.50 3.45 -0.52 5.02 2.02 -0.52 -4.39 117.35 121.90 1wg7 s TYR 102 Ca -0.02 0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.80 1wg7 s TYR 102 Cb -0.02 -1.72 0.13 0.00 -0.40 0.00 0.00 41.96 39.95 1wg7 s TYR 102 CO 0.01 0.57 0.39 -1.17 -1.57 0.00 0.00 175.55 173.78 1wg7 s LEU 103 N -2.54 5.71 0.33 -1.29 0.20 -1.26 0.21 118.68 120.04 1wg7 s LEU 103 Ca 0.34 -2.13 -0.02 0.00 0.69 0.00 0.00 54.13 53.01 1wg7 s LEU 103 Cb -0.13 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1wg7 s LEU 103 CO 0.27 -0.63 0.56 -0.76 -0.29 0.00 0.00 176.35 175.50 1wg7 s LEU 104 N 1.03 4.01 -0.13 -0.68 1.02 0.30 -0.31 118.68 123.93 1wg7 s LEU 104 Ca 0.09 0.57 -0.29 0.00 0.02 0.00 0.00 54.13 54.51 1wg7 s LEU 104 Cb -0.24 -3.42 0.08 0.00 0.02 0.00 0.00 46.19 42.64 1wg7 s LEU 104 CO -0.02 -0.27 0.77 0.00 0.02 0.00 0.00 176.35 176.85 1wg7 s ALA 105 N -2.25 -1.82 0.50 4.21 0.00 0.15 0.56 121.76 123.11 1wg7 s ALA 105 Ca 0.42 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.94 1wg7 s ALA 105 Cb -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1wg7 s ALA 105 CO 0.34 -0.34 0.03 0.00 0.00 0.00 0.00 175.76 175.79 1wg7 s ALA 106 N -0.77 3.92 -0.02 0.00 0.00 -0.69 -0.67 121.76 123.52 1wg7 s ALA 106 Ca -0.06 -0.46 0.10 0.00 0.00 0.00 0.00 51.96 51.53 1wg7 s ALA 106 Cb -0.01 0.18 -0.23 0.00 0.00 0.00 0.00 23.12 23.05 1wg7 s ALA 106 CO 0.05 -0.08 0.74 -0.44 0.00 0.00 0.00 175.76 176.03 1wg7 h ASP 107 N 1.42 0.05 -3.42 0.00 3.32 -1.90 -3.44 116.42 112.46 1wg7 h ASP 107 Ca -0.42 -0.10 -0.43 0.00 0.02 0.00 0.00 57.03 56.10 1wg7 h ASP 107 Cb 1.31 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 1wg7 h ASP 107 CO 0.70 1.09 -0.73 -0.44 -1.72 0.00 0.00 179.24 178.13 1wg7 s SER 108 N -6.30 2.39 0.23 6.45 0.01 -1.26 -4.99 113.70 110.23 1wg7 s SER 108 Ca -0.05 -1.00 -0.07 0.00 1.31 0.00 0.00 55.95 56.14 1wg7 s SER 108 Cb 0.08 -0.11 0.35 0.00 0.21 0.00 0.00 66.02 66.55 1wg7 s SER 108 CO 0.82 -0.19 1.76 1.05 0.41 0.00 0.00 173.24 177.09 1wg7 h GLU 109 N 2.70 0.52 0.26 12.44 4.11 -1.94 -0.65 114.58 132.03 1wg7 h GLU 109 Ca -0.38 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 1wg7 h GLU 109 Cb 1.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1wg7 h GLU 109 CO 0.61 0.35 -0.38 -0.24 0.07 0.00 0.00 179.01 179.42 1wg7 h VAL 110 N 0.54 0.00 0.00 -1.06 3.04 -1.97 1.56 116.25 118.35 1wg7 h VAL 110 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1wg7 h VAL 110 Cb 0.42 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1wg7 h VAL 110 CO -0.30 0.00 0.33 -0.33 -1.01 0.00 0.00 177.57 176.26 1wg7 h GLU 111 N -0.67 0.00 0.02 4.17 5.08 -1.86 1.61 114.58 122.92 1wg7 h GLU 111 Ca -0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.02 1wg7 h GLU 111 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1wg7 h GLU 111 CO -0.11 0.00 -1.79 -0.12 -1.00 0.00 0.00 179.01 175.99 1wg7 n MET 112 N -2.81 0.65 0.05 2.33 1.56 0.49 -4.07 117.12 115.32 1wg7 n MET 112 Ca -0.02 0.28 -0.19 0.00 -0.27 0.00 0.00 57.70 57.50 1wg7 n MET 112 Cb 0.37 -1.77 -0.14 0.00 2.15 0.00 0.00 33.22 33.83 1wg7 n MET 112 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1wg7 h GLU 113 N 0.01 0.29 -0.02 2.12 4.11 0.75 -3.21 114.58 118.62 1wg7 h GLU 113 Ca -0.32 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 58.63 1wg7 h GLU 113 Cb 2.03 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.45 1wg7 h GLU 113 CO 0.08 1.16 -0.05 0.93 0.07 0.00 0.00 179.01 181.20 1wg7 h GLU 114 N 0.08 -0.04 -0.32 1.06 5.08 0.18 0.36 114.58 120.98 1wg7 h GLU 114 Ca -0.31 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1wg7 h GLU 114 Cb 2.05 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.23 1wg7 h GLU 114 CO 0.15 -0.03 -0.19 -1.49 -1.00 0.00 0.00 179.01 176.45 1wg7 h TRP 115 N -0.04 -0.49 -1.44 4.33 4.06 -1.76 0.86 115.95 121.47 1wg7 h TRP 115 Ca 0.00 0.04 0.43 0.00 2.06 0.00 0.00 58.89 61.43 1wg7 h TRP 115 Cb 0.05 0.27 -0.09 0.00 -1.00 0.00 0.00 29.16 28.39 1wg7 h TRP 115 CO -0.54 -0.27 0.99 0.82 -3.56 0.00 0.00 178.44 175.88 1wg7 h ILE 116 N -0.15 0.20 0.15 1.49 2.04 -1.35 1.46 117.51 121.34 1wg7 h ILE 116 Ca 0.17 -0.03 -0.36 0.00 1.00 0.00 0.00 64.86 65.64 1wg7 h ILE 116 Cb 0.41 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1wg7 h ILE 116 CO -0.41 0.01 -1.88 0.74 0.00 0.00 0.00 178.15 176.61 1wg7 h THR 117 N 0.08 0.77 0.80 -0.27 2.02 0.43 -2.94 112.91 113.80 1wg7 h THR 117 Ca 0.77 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.48 1wg7 h THR 117 Cb 2.72 2.62 0.01 0.00 -1.74 0.00 0.00 68.15 71.76 1wg7 h THR 117 CO -0.20 0.88 -0.38 0.40 0.37 0.00 0.00 175.52 176.58 1wg7 h ILE 118 N 0.09 0.04 -0.37 3.11 5.03 0.71 0.79 117.51 126.91 1wg7 h ILE 118 Ca -0.38 -0.20 0.07 0.00 -0.12 0.00 0.00 64.86 64.22 1wg7 h ILE 118 Cb 2.06 0.05 -0.06 0.00 -3.03 0.00 0.00 36.82 35.85 1wg7 h ILE 118 CO 0.13 0.00 0.01 -0.07 -0.68 0.00 0.00 178.15 177.54 1wg7 h LEU 119 N -1.26 -0.13 -1.72 1.44 3.38 0.14 0.23 115.31 117.38 1wg7 h LEU 119 Ca -0.11 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wg7 h LEU 119 Cb 0.83 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1wg7 h LEU 119 CO 0.18 -0.03 -0.01 0.78 0.09 0.00 0.00 178.44 179.45 1wg7 h ASN 120 N 0.11 0.15 0.78 -0.43 2.35 -1.47 0.19 115.58 117.26 1wg7 h ASN 120 Ca 0.18 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1wg7 h ASN 120 Cb 0.25 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1wg7 h ASN 120 CO -0.29 0.19 -0.38 0.11 -1.65 0.00 0.00 177.43 175.41 1wg7 h LYS 121 N 0.16 -1.02 0.00 0.81 1.57 0.38 1.56 116.57 120.04 1wg7 h LYS 121 Ca 0.04 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1wg7 h LYS 121 Cb 0.13 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wg7 h LYS 121 CO 0.00 -0.68 -0.03 0.82 -0.57 0.00 0.00 179.45 179.00 1wg7 h ILE 122 N -1.12 0.63 0.10 1.86 5.03 -0.88 1.39 117.51 124.52 1wg7 h ILE 122 Ca -0.11 -0.11 -0.00 0.00 -0.12 0.00 0.00 64.86 64.51 1wg7 h ILE 122 Cb 0.81 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 35.67 1wg7 h ILE 122 CO 0.18 0.03 -0.05 -0.07 -0.68 0.00 0.00 178.15 177.56 1wg7 h LEU 123 N 0.00 -0.11 -0.61 1.44 4.07 -0.17 0.11 115.31 120.04 1wg7 h LEU 123 Ca -0.00 -0.47 -0.13 0.00 0.08 0.00 0.00 57.88 57.36 1wg7 h LEU 123 Cb 0.07 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1wg7 h LEU 123 CO 0.00 0.50 -0.27 1.56 -1.08 0.00 0.00 178.44 179.16 1wg7 h GLN 124 N -0.82 0.81 -0.03 1.13 4.20 0.28 -2.62 115.11 118.06 1wg7 h GLN 124 Ca -0.01 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 1wg7 h GLN 124 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1wg7 h GLN 124 CO 0.02 0.98 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.61 1wg7 h LEU 125 N 0.69 0.07 -1.55 1.46 4.07 0.18 -2.43 115.31 117.80 1wg7 h LEU 125 Ca 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1wg7 h LEU 125 Cb 0.81 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1wg7 h LEU 125 CO 0.07 0.55 0.06 0.78 -1.08 0.00 0.00 178.44 178.81 1wg7 h ASN 126 N 0.06 0.31 -0.45 -0.43 2.35 -0.39 0.62 115.58 117.65 1wg7 h ASN 126 Ca -0.00 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1wg7 h ASN 126 Cb 0.88 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1wg7 h ASN 126 CO 0.07 0.32 -0.27 0.15 -1.65 0.00 0.00 177.43 176.05 1wg7 h PHE 127 N 0.35 1.15 0.00 1.19 3.04 -1.25 -2.43 116.94 118.98 1wg7 h PHE 127 Ca 0.08 -0.30 -0.13 0.00 3.98 0.00 0.00 57.97 61.61 1wg7 h PHE 127 Cb 0.14 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1wg7 h PHE 127 CO 0.00 1.13 -0.61 0.93 -2.02 0.00 0.00 178.31 177.75 1wg7 h GLU 128 N 0.83 0.00 0.00 1.11 5.08 -1.26 -3.08 114.58 117.26 1wg7 h GLU 128 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1wg7 h GLU 128 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wg7 h GLU 128 CO 0.08 0.61 -0.18 0.00 -1.00 0.00 0.00 179.01 178.51 1wg7 h ALA 129 N 1.39 1.08 0.02 3.43 0.00 0.38 -0.42 119.26 125.14 1wg7 h ALA 129 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1wg7 h ALA 129 Cb 1.46 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1wg7 h ALA 129 CO 0.08 0.22 -0.26 0.00 0.00 0.00 0.00 179.25 179.30 1wg7 h ALA 130 N 1.82 0.00 0.00 0.00 0.00 -1.35 -1.90 119.26 117.83 1wg7 h ALA 130 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1wg7 h ALA 130 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wg7 h ALA 130 CO 0.02 0.09 -0.25 0.52 0.00 0.00 0.00 179.25 179.64 1wg7 h MET 131 N -0.62 0.00 -0.03 0.00 2.07 -1.47 0.25 114.93 115.13 1wg7 h MET 131 Ca -0.04 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.50 1wg7 h MET 131 Cb 1.08 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.82 1wg7 h MET 131 CO 0.05 0.25 -0.35 -0.56 1.07 0.00 0.00 176.91 177.37 1wg7 h GLN 132 N 0.00 0.29 -0.16 1.72 3.07 -1.12 -3.23 115.11 115.69 1wg7 h GLN 132 Ca -0.00 -0.27 -0.08 0.00 0.09 0.00 0.00 58.65 58.39 1wg7 h GLN 132 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1wg7 h GLN 132 CO 0.03 0.95 -0.25 1.05 0.09 0.00 0.00 178.83 180.70 1wg7 h GLU 133 N -0.27 0.28 -0.99 0.06 4.11 -1.11 -2.99 114.58 113.67 1wg7 h GLU 133 Ca -0.03 -0.09 0.20 0.00 0.07 0.00 0.00 59.36 59.50 1wg7 h GLU 133 Cb 1.05 -0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.08 1wg7 h GLU 133 CO 0.07 0.52 -0.24 -0.22 0.07 0.00 0.00 179.01 179.21 1wg7 h LYS 134 N 0.26 0.00 -1.95 1.06 3.64 -0.96 0.99 116.57 119.60 1wg7 h LYS 134 Ca 0.04 -0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.72 1wg7 h LYS 134 Cb 0.58 -0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.15 1wg7 h LYS 134 CO 0.04 0.00 0.89 0.54 -2.27 0.00 0.00 179.45 178.65 1wg7 n ARG 135 N -5.62 2.65 -3.10 1.90 5.12 -1.13 -4.70 116.66 111.78 1wg7 n ARG 135 Ca 0.16 -3.21 0.04 0.00 -1.93 0.00 0.00 57.85 52.91 1wg7 n ARG 135 Cb 0.50 -2.23 -0.00 0.00 -1.16 0.00 0.00 32.46 29.57 1wg7 n ARG 135 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1wg7 s ASN 136 N -0.76 -1.04 0.00 0.55 -0.87 0.34 -5.07 114.94 108.09 1wg7 s ASN 136 Ca 0.54 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 1wg7 s ASN 136 Cb 0.43 1.54 0.00 0.00 -0.02 0.00 0.00 41.25 43.20 1wg7 s ASN 136 CO -0.35 -0.17 0.00 0.61 -2.57 0.00 0.00 177.10 174.62 1wg7 n GLY 137 N 4.88 -0.56 3.58 0.66 0.00 -1.26 -4.80 105.19 107.70 1wg7 n GLY 137 Ca 0.08 0.34 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 1wg7 n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wg7 n ASP 138 N -0.04 0.31 -4.64 1.61 -0.08 -1.26 -4.74 116.55 107.71 1wg7 n ASP 138 Ca 0.00 0.76 -0.56 0.00 -1.51 0.00 0.00 54.79 53.48 1wg7 n ASP 138 Cb 0.00 -1.34 -0.07 0.00 2.34 0.00 0.00 41.12 42.04 1wg7 n ASP 138 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wg7 n SER 139 N -0.65 2.29 -4.91 1.67 7.64 -1.26 -4.93 113.62 113.46 1wg7 n SER 139 Ca 0.13 0.94 -0.22 0.00 1.01 0.00 0.00 58.87 60.73 1wg7 n SER 139 Cb 0.48 -1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 62.52 1wg7 n SER 139 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1wg7 s HIS 140 N 4.37 2.25 -0.89 1.43 2.46 -1.26 -5.04 115.29 118.62 1wg7 s HIS 140 Ca 1.02 -0.61 -0.25 0.00 0.47 0.00 0.00 55.06 55.69 1wg7 s HIS 140 Cb -1.05 -2.12 0.04 0.00 -0.13 0.00 0.00 32.58 29.32 1wg7 s HIS 140 CO 0.63 -0.37 1.37 -2.00 -2.47 0.00 0.00 174.74 171.89 1wg7 s GLU 141 N -4.26 3.40 0.02 2.88 2.12 -1.26 -4.89 118.70 116.72 1wg7 s GLU 141 Ca 0.47 -0.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.80 1wg7 s GLU 141 Cb -0.04 -4.81 0.10 0.00 0.26 0.00 0.00 34.13 29.64 1wg7 s GLU 141 CO 0.28 -2.18 0.93 -0.51 -0.54 0.00 0.00 175.26 173.24 1wg7 s ASP 142 N 4.39 -0.31 1.04 -1.70 1.01 -1.26 -5.17 116.67 114.68 1wg7 s ASP 142 Ca 0.41 -0.09 -0.07 0.00 0.71 0.00 0.00 52.55 53.51 1wg7 s ASP 142 Cb -0.04 0.39 0.10 0.00 1.01 0.00 0.00 42.92 44.39 1wg7 s ASP 142 CO 0.02 -0.66 0.23 0.47 0.21 0.00 0.00 175.17 175.44 1wg7 n ASP 143 N -0.30 -2.44 0.00 0.27 9.92 -1.26 -5.02 116.55 117.73 1wg7 n ASP 143 Ca -0.08 -0.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1wg7 n ASP 143 Cb 0.61 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1wg7 n ASP 143 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1wg7 n GLU 144 N -2.71 2.25 -3.54 -1.24 0.00 -1.26 -5.08 120.64 109.05 1wg7 n GLU 144 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.07 1wg7 n GLU 144 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.56 1wg7 n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1wg7 s SER 145 N -1.56 -0.43 0.78 -1.84 0.15 -1.26 -5.15 113.70 104.40 1wg7 s SER 145 Ca 0.00 -0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.49 1wg7 s SER 145 Cb 0.00 0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 1wg7 s SER 145 CO 0.00 -0.83 0.23 0.61 1.20 0.00 0.00 173.24 174.45 1wg7 n GLY 146 N 0.00 -2.28 3.81 9.45 0.00 -1.26 -4.95 105.19 109.96 1wg7 n GLY 146 Ca -0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1wg7 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg7 s PRO 147 N -2.62 2.37 0.12 1.61 0.04 -1.26 -5.08 135.00 130.18 1wg7 s PRO 147 Ca 0.59 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 1wg7 s PRO 147 Cb -0.31 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.36 1wg7 s PRO 147 CO 0.64 -1.45 0.78 -1.54 0.04 0.00 0.00 177.00 175.48 1wg7 s SER 148 N -3.87 -0.38 0.08 6.66 1.04 -1.26 -5.19 113.70 110.78 1wg7 s SER 148 Ca 0.60 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 1wg7 s SER 148 Cb -0.14 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1wg7 s SER 148 CO 0.54 -0.90 0.29 -0.94 0.98 0.00 0.00 173.24 173.21 1wg7 s SER 149 N -2.73 -0.07 0.00 7.02 1.04 -1.26 -5.30 113.70 112.41 1wg7 s SER 149 Ca 0.06 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1wg7 s SER 149 Cb -0.02 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wg7 s SER 149 CO -0.06 -0.71 0.17 0.61 0.98 0.00 0.00 173.24 174.23