#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 6.22 0.40 1.61 0.01 -1.26 -4.93 113.70 115.75 1wg7 s SER 2 Ca 0.00 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1wg7 s SER 2 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wg7 s SER 2 CO 0.00 -1.06 0.00 -1.20 0.41 0.00 0.00 173.24 171.39 1wg7 n SER 3 N 6.54 -8.22 0.00 2.44 7.64 -1.26 -5.01 113.62 115.75 1wg7 n SER 3 Ca -0.06 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wg7 n SER 3 Cb 0.45 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 4 N -4.13 -1.60 0.00 0.23 0.00 -1.26 -5.11 105.19 93.32 1wg7 n GLY 4 Ca -0.02 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1wg7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 5 N 0.00 0.00 -3.62 1.61 7.64 -1.26 -4.92 113.62 113.07 1wg7 n SER 5 Ca 0.00 0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.92 1wg7 n SER 5 Cb 0.00 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg7 s SER 6 N -3.71 -0.18 -0.08 6.43 0.15 -1.26 -4.54 113.70 110.50 1wg7 s SER 6 Ca 0.00 -0.15 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 1wg7 s SER 6 Cb 0.00 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1wg7 s SER 6 CO 0.00 -0.52 0.32 -0.83 1.20 0.00 0.00 173.24 173.41 1wg7 s GLY 7 N -2.68 -0.21 0.49 9.45 0.00 -1.26 -5.11 107.32 108.00 1wg7 s GLY 7 Ca 0.10 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1wg7 s GLY 7 CO -0.04 0.54 0.00 0.00 0.00 0.00 0.00 173.10 173.60 1wg7 n ALA 8 N 2.27 -1.88 -3.62 3.20 0.00 -1.26 -5.09 120.51 114.12 1wg7 n ALA 8 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1wg7 n ALA 8 Cb 0.57 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1wg7 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg7 s ALA 9 N -3.74 -2.16 -1.14 0.00 0.00 -1.26 -5.02 121.76 108.43 1wg7 s ALA 9 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1wg7 s ALA 9 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1wg7 s ALA 9 CO 0.00 -0.97 0.97 0.45 0.00 0.00 0.00 175.76 176.21 1wg7 n SER 10 N -0.42 -3.37 -4.85 0.00 2.88 -1.26 -4.86 113.62 101.74 1wg7 n SER 10 Ca -0.07 -0.64 -0.21 0.00 -1.33 0.00 0.00 58.87 56.62 1wg7 n SER 10 Cb 0.62 -5.11 -0.04 0.00 -0.75 0.00 0.00 64.21 58.93 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wg7 s LEU 11 N -6.04 3.80 0.00 2.46 1.43 -1.26 -4.04 118.68 115.02 1wg7 s LEU 11 Ca 0.13 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1wg7 s LEU 11 Cb -0.02 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1wg7 s LEU 11 CO 0.73 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1wg7 n GLY 12 N -1.28 1.65 3.63 -3.19 0.00 -1.26 -5.03 105.19 99.71 1wg7 n GLY 12 Ca -0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 1wg7 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 s SER 13 N 0.00 -0.29 -0.13 1.61 0.01 -1.26 -4.96 113.70 108.68 1wg7 s SER 13 Ca 0.00 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.10 1wg7 s SER 13 Cb 0.00 0.48 0.43 0.00 0.21 0.00 0.00 66.02 67.14 1wg7 s SER 13 CO 0.00 -0.84 1.17 1.67 0.41 0.00 0.00 173.24 175.65 1wg7 n GLN 14 N -0.38 3.00 -3.35 12.44 7.27 -1.26 -4.48 117.38 130.62 1wg7 n GLN 14 Ca -0.08 -1.65 -0.46 0.00 0.07 0.00 0.00 57.00 54.88 1wg7 n GLN 14 Cb 0.61 -1.89 -0.02 0.00 2.41 0.00 0.00 30.24 31.35 1wg7 n GLN 14 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1wg7 s LYS 15 N -1.92 3.68 0.00 3.69 -0.14 -1.26 -4.90 119.74 118.89 1wg7 s LYS 15 Ca 0.29 -2.62 0.00 0.00 -1.36 0.00 0.00 55.97 52.27 1wg7 s LYS 15 Cb 0.22 -4.43 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1wg7 s LYS 15 CO 0.08 -1.28 0.00 0.41 -0.76 0.00 0.00 175.35 173.81 1wg7 n GLY 16 N 3.69 3.75 2.56 -3.33 0.00 -1.26 -4.88 105.19 105.72 1wg7 n GLY 16 Ca 0.16 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.32 1.25 2.87 -0.02 0.00 -1.26 -5.09 105.19 102.62 1wg7 n GLY 17 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 0.93 0.00 0.00 -0.61 -0.00 -1.26 -5.14 119.36 113.28 1wg7 n ILE 18 Ca 0.12 -1.55 0.00 0.00 -0.00 0.00 0.00 62.75 61.33 1wg7 n ILE 18 Cb 0.64 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 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 -1.67 0.00 0.00 1.39 5.66 -1.26 -4.93 114.28 113.47 1wg7 n THR 19 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1wg7 n THR 19 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.51 0.00 -4.19 1.09 4.81 -1.26 -5.03 118.16 113.07 1wg7 n LYS 20 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1wg7 n LYS 20 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 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 -2.00 1.09 0.00 5.64 -3.43 -1.26 -2.63 115.29 112.69 1wg7 s HIS 21 Ca 0.00 -1.34 0.00 0.00 -0.80 0.00 0.00 55.06 52.92 1wg7 s HIS 21 Cb 0.00 -0.53 0.00 0.00 -1.43 0.00 0.00 32.58 30.62 1wg7 s HIS 21 CO 0.00 -0.62 0.00 0.41 -2.00 0.00 0.00 174.74 172.53 1wg7 n GLY 22 N -0.24 4.23 3.74 -1.38 0.00 -1.10 -5.00 105.19 105.44 1wg7 n GLY 22 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.98 3.82 0.30 1.61 0.52 -1.26 -1.36 118.94 120.59 1wg7 s TRP 23 Ca 0.00 1.80 0.02 0.00 0.02 0.00 0.00 56.10 57.94 1wg7 s TRP 23 Cb 0.00 -3.09 -0.01 0.00 -1.15 0.00 0.00 33.47 29.22 1wg7 s TRP 23 CO 0.00 0.06 0.08 1.28 0.02 0.00 0.00 176.95 178.39 1wg7 n LEU 24 N 1.93 0.00 -3.91 2.99 4.77 -0.32 -4.77 117.00 117.70 1wg7 n LEU 24 Ca 0.00 -2.16 -0.30 0.00 -0.03 0.00 0.00 56.01 53.53 1wg7 n LEU 24 Cb 0.47 0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 42.02 1wg7 n LEU 24 CO 0.52 -0.33 -0.16 -0.31 -1.33 0.00 0.00 177.39 175.78 1wg7 s TYR 25 N -2.51 3.10 0.58 -1.77 2.02 0.20 -2.07 117.35 116.90 1wg7 s TYR 25 Ca 0.11 -3.12 -0.16 0.00 -0.37 0.00 0.00 57.07 53.53 1wg7 s TYR 25 Cb 0.01 -2.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1wg7 s TYR 25 CO 0.08 -0.71 1.04 0.21 -1.57 0.00 0.00 175.55 174.60 1wg7 s LYS 26 N -0.45 3.45 0.25 -0.62 2.20 -0.56 -2.36 119.74 121.64 1wg7 s LYS 26 Ca 0.19 1.16 -0.17 0.00 -0.36 0.00 0.00 55.97 56.79 1wg7 s LYS 26 Cb -0.21 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 1wg7 s LYS 26 CO -0.03 -0.70 0.57 0.20 -0.36 0.00 0.00 175.35 175.02 1wg7 s GLY 27 N -2.83 0.17 0.02 5.54 0.00 -0.10 -3.23 107.32 106.89 1wg7 s GLY 27 Ca 0.63 -0.53 -0.18 0.00 0.00 0.00 0.00 44.72 44.64 1wg7 s GLY 27 CO 0.36 -0.36 1.06 -0.57 0.00 0.00 0.00 173.10 173.58 1wg7 h ASN 28 N 2.16 0.68 -4.33 1.64 -1.24 -1.80 -2.93 115.58 109.77 1wg7 h ASN 28 Ca -0.24 -0.83 0.00 0.00 0.71 0.00 0.00 56.30 55.94 1wg7 h ASN 28 Cb 1.25 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.09 1wg7 h ASN 28 CO 0.32 1.44 -0.76 0.80 -1.29 0.00 0.00 177.43 177.94 1wg7 n MET 29 N -4.00 -4.03 -3.60 6.67 1.56 -1.10 -4.70 117.12 107.92 1wg7 n MET 29 Ca -0.13 3.03 -0.10 0.00 -0.27 0.00 0.00 57.70 60.23 1wg7 n MET 29 Cb 0.85 -3.76 -0.03 0.00 2.15 0.00 0.00 33.22 32.43 1wg7 n MET 29 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1wg7 s ASN 30 N -0.46 -0.39 0.19 6.12 2.47 -1.26 -4.84 114.94 116.77 1wg7 s ASN 30 Ca 0.00 -0.26 -0.24 0.00 0.42 0.00 0.00 52.86 52.78 1wg7 s ASN 30 Cb 0.00 0.59 0.09 0.00 -1.45 0.00 0.00 41.25 40.48 1wg7 s ASN 30 CO 0.00 -1.01 1.56 -1.28 -3.72 0.00 0.00 177.10 172.64 1wg7 h SER 31 N 2.12 -1.59 -2.73 -4.21 0.87 -1.98 -3.34 113.55 102.69 1wg7 h SER 31 Ca -0.31 0.28 -0.54 0.00 -1.23 0.00 0.00 61.79 60.00 1wg7 h SER 31 Cb 1.28 0.76 0.01 0.00 -0.44 0.00 0.00 62.40 64.01 1wg7 h SER 31 CO 0.38 -0.30 0.97 0.00 -0.53 0.00 0.00 176.83 177.35 1wg7 s ALA 32 N -5.82 3.66 0.07 6.23 0.00 -1.26 -4.87 121.76 119.77 1wg7 s ALA 32 Ca -0.14 1.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.72 1wg7 s ALA 32 Cb 0.15 -3.68 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 1wg7 s ALA 32 CO 0.67 -1.09 1.65 0.97 0.00 0.00 0.00 175.76 177.97 1wg7 h ILE 33 N 4.88 1.08 -1.32 0.00 6.09 -1.98 0.94 117.51 127.21 1wg7 h ILE 33 Ca -0.41 -0.24 0.38 0.00 -1.37 0.00 0.00 64.86 63.22 1wg7 h ILE 33 Cb 1.19 1.19 -0.05 0.00 0.47 0.00 0.00 36.82 39.62 1wg7 h ILE 33 CO 0.93 0.07 0.99 0.28 -3.07 0.00 0.00 178.15 177.34 1wg7 h SER 34 N -0.05 0.00 0.01 2.19 0.02 -1.92 0.96 113.55 114.76 1wg7 h SER 34 Ca 0.01 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.63 1wg7 h SER 34 Cb 0.09 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1wg7 h SER 34 CO -0.00 0.00 -1.84 0.52 -1.14 0.00 0.00 176.83 174.37 1wg7 n VAL 35 N -4.02 1.55 -0.59 2.27 0.31 -0.64 -3.18 118.33 114.03 1wg7 n VAL 35 Ca 0.29 -0.23 0.47 0.00 -0.01 0.00 0.00 64.34 64.86 1wg7 n VAL 35 Cb 1.41 -1.93 0.72 0.00 -0.91 0.00 0.00 33.84 33.13 1wg7 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wg7 n THR 36 N -4.24 0.00 -0.08 2.52 5.66 0.32 0.90 114.28 119.36 1wg7 n THR 36 Ca -0.41 1.41 -0.23 0.00 -3.05 0.00 0.00 64.05 61.78 1wg7 n THR 36 Cb 0.80 -2.39 -0.12 0.00 -1.55 0.00 0.00 70.33 67.07 1wg7 n THR 36 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1wg7 n MET 37 N -3.73 0.63 -4.21 1.09 2.81 -0.50 -2.69 117.12 110.52 1wg7 n MET 37 Ca 0.39 0.41 -0.29 0.00 -1.81 0.00 0.00 57.70 56.40 1wg7 n MET 37 Cb 1.88 -1.68 -0.09 0.00 -0.71 0.00 0.00 33.22 32.62 1wg7 n MET 37 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wg7 n ARG 38 N -4.06 -0.93 -2.91 0.03 5.12 0.26 -1.45 116.66 112.71 1wg7 n ARG 38 Ca -0.36 0.08 -0.00 0.00 -1.93 0.00 0.00 57.85 55.64 1wg7 n ARG 38 Cb 0.84 -3.34 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 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 -2.68 -7.25 -4.02 0.55 7.64 -1.26 -4.63 113.62 101.96 1wg7 n SER 39 Ca -0.31 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.19 1wg7 n SER 39 Cb 0.66 -4.91 -0.16 0.00 -1.01 0.00 0.00 64.21 58.79 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 -1.71 0.35 -3.83 1.43 3.01 -0.53 -4.85 117.46 111.33 1wg7 n PHE 40 Ca -0.00 0.24 -0.36 0.00 1.01 0.00 0.00 57.45 58.33 1wg7 n PHE 40 Cb 0.50 -1.61 -0.06 0.00 -0.01 0.00 0.00 39.48 38.30 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1wg7 s LYS 41 N 7.50 3.50 0.13 -1.08 2.47 -1.20 -4.96 119.74 126.10 1wg7 s LYS 41 Ca 1.20 -0.09 0.03 0.00 -1.56 0.00 0.00 55.97 55.55 1wg7 s LYS 41 Cb -1.01 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 32.15 1wg7 s LYS 41 CO 0.46 0.75 0.20 -0.98 0.16 0.00 0.00 175.35 175.93 1wg7 s ARG 42 N -1.21 3.18 0.18 4.03 3.03 -1.26 -1.49 118.95 125.41 1wg7 s ARG 42 Ca 0.19 -0.68 -0.10 0.00 2.03 0.00 0.00 55.73 57.16 1wg7 s ARG 42 Cb -0.13 -2.84 -0.00 0.00 -1.03 0.00 0.00 34.95 30.95 1wg7 s ARG 42 CO 0.08 0.53 0.33 1.03 -1.13 0.00 0.00 175.30 176.14 1wg7 s ARG 43 N -2.97 1.23 -0.68 3.89 0.52 -0.88 -4.94 118.95 115.12 1wg7 s ARG 43 Ca 0.33 -1.15 -0.24 0.00 -0.52 0.00 0.00 55.73 54.14 1wg7 s ARG 43 Cb -0.11 0.40 0.05 0.00 0.52 0.00 0.00 34.95 35.81 1wg7 s ARG 43 CO 0.26 -0.47 1.08 0.12 0.02 0.00 0.00 175.30 176.31 1wg7 s PHE 44 N -3.97 2.54 -0.58 -0.53 5.36 -0.23 -1.17 117.98 119.40 1wg7 s PHE 44 Ca 0.17 -0.31 -0.28 0.00 -0.96 0.00 0.00 56.93 55.55 1wg7 s PHE 44 Cb 0.02 -4.40 0.03 0.00 -0.34 0.00 0.00 43.02 38.33 1wg7 s PHE 44 CO 0.01 -1.78 1.19 -0.06 -1.46 0.00 0.00 175.22 173.12 1wg7 s PHE 45 N 4.67 2.60 -0.22 10.12 0.40 -0.46 -1.46 117.98 133.62 1wg7 s PHE 45 Ca 0.28 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1wg7 s PHE 45 Cb -0.13 -4.50 0.03 0.00 0.51 0.00 0.00 43.02 38.92 1wg7 s PHE 45 CO 0.13 -1.60 -0.13 -1.58 0.70 0.00 0.00 175.22 172.75 1wg7 s HIS 46 N 4.94 2.97 0.05 0.36 5.65 -0.40 -2.72 115.29 126.15 1wg7 s HIS 46 Ca 0.42 -1.66 -0.28 0.00 0.25 0.00 0.00 55.06 53.79 1wg7 s HIS 46 Cb -0.08 -1.98 -0.05 0.00 -1.18 0.00 0.00 32.58 29.29 1wg7 s HIS 46 CO 0.25 -0.77 0.91 -1.17 -0.65 0.00 0.00 174.74 173.30 1wg7 s LEU 47 N 1.29 4.44 0.03 8.88 2.96 -1.08 -1.51 118.68 133.68 1wg7 s LEU 47 Ca 0.01 1.64 0.03 0.00 -0.22 0.00 0.00 54.13 55.59 1wg7 s LEU 47 Cb -0.15 -3.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1wg7 s LEU 47 CO -0.08 -0.11 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.24 1wg7 s ILE 48 N 0.34 0.72 -0.30 6.68 2.07 -0.48 -4.62 121.20 125.62 1wg7 s ILE 48 Ca 0.46 -0.80 -0.19 0.00 -1.41 0.00 0.00 60.65 58.71 1wg7 s ILE 48 Cb -0.22 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 1wg7 s ILE 48 CO 0.27 -0.09 0.56 -1.58 -1.91 0.00 0.00 174.94 172.19 1wg7 s GLN 49 N -0.98 3.91 1.36 3.50 0.74 -1.26 -0.94 119.66 125.98 1wg7 s GLN 49 Ca -0.02 0.21 -0.20 0.00 0.05 0.00 0.00 55.36 55.40 1wg7 s GLN 49 Cb -0.07 -3.71 0.35 0.00 1.10 0.00 0.00 33.01 30.68 1wg7 s GLN 49 CO 0.01 -0.50 0.95 -0.51 -0.55 0.00 0.00 175.29 174.69 1wg7 s LEU 50 N 2.44 -0.60 -0.03 3.68 2.01 0.11 -4.92 118.68 121.37 1wg7 s LEU 50 Ca 0.22 1.09 -0.20 0.00 0.01 0.00 0.00 54.13 55.25 1wg7 s LEU 50 Cb -0.15 -2.65 -0.13 0.00 0.01 0.00 0.00 46.19 43.27 1wg7 s LEU 50 CO 0.11 -5.09 0.86 1.23 1.01 0.00 0.00 176.35 174.47 1wg7 h GLY 51 N -3.23 -0.51 -1.08 -3.19 0.00 -1.97 -3.13 103.07 89.96 1wg7 h GLY 51 Ca -0.50 0.19 0.43 0.00 0.00 0.00 0.00 47.33 47.44 1wg7 h GLY 51 CO 0.36 -0.18 0.81 -1.80 0.00 0.00 0.00 176.54 175.73 1wg7 h ASP 52 N -1.01 0.26 0.00 0.19 3.58 -1.98 -3.43 116.42 114.03 1wg7 h ASP 52 Ca -0.05 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1wg7 h ASP 52 Cb 0.50 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1wg7 h ASP 52 CO 0.08 -0.20 0.00 0.61 -2.88 0.00 0.00 179.24 176.85 1wg7 n GLY 53 N -1.49 1.34 2.53 -0.78 0.00 -1.18 -4.16 105.19 101.45 1wg7 n GLY 53 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 1wg7 n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 54 N 0.00 -3.19 -4.30 1.61 7.64 -1.26 -4.59 113.62 109.52 1wg7 n SER 54 Ca 0.00 -0.77 -0.18 0.00 1.01 0.00 0.00 58.87 58.93 1wg7 n SER 54 Cb 0.00 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 1wg7 n SER 54 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1wg7 s TYR 55 N -2.04 1.56 -0.23 1.43 1.51 -1.26 0.07 117.35 118.38 1wg7 s TYR 55 Ca 0.53 -0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 1wg7 s TYR 55 Cb -0.08 -0.75 0.08 0.00 -0.11 0.00 0.00 41.96 41.09 1wg7 s TYR 55 CO 0.43 0.26 0.55 -0.80 -1.11 0.00 0.00 175.55 174.88 1wg7 s ASN 56 N -3.10 -0.73 -0.58 2.29 -0.87 -0.12 -4.14 114.94 107.69 1wg7 s ASN 56 Ca 0.18 1.23 -0.21 0.00 -1.57 0.00 0.00 52.86 52.50 1wg7 s ASN 56 Cb -0.01 1.25 0.07 0.00 -0.02 0.00 0.00 41.25 42.54 1wg7 s ASN 56 CO 0.05 -0.22 0.78 -0.22 -2.57 0.00 0.00 177.10 174.91 1wg7 s LEU 57 N 1.79 4.84 -0.18 0.60 1.98 -1.22 -1.38 118.68 125.12 1wg7 s LEU 57 Ca -0.08 -1.03 -0.15 0.00 -2.89 0.00 0.00 54.13 49.98 1wg7 s LEU 57 Cb -0.08 -2.44 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1wg7 s LEU 57 CO -0.16 -1.15 0.33 0.20 -1.89 0.00 0.00 176.35 173.68 1wg7 s ASN 58 N 3.26 6.43 -0.18 3.68 0.01 -0.57 -0.56 114.94 127.00 1wg7 s ASN 58 Ca 0.18 0.50 -0.06 0.00 -0.71 0.00 0.00 52.86 52.76 1wg7 s ASN 58 Cb -0.19 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1wg7 s ASN 58 CO 0.11 0.03 0.03 0.72 -1.51 0.00 0.00 177.10 176.48 1wg7 s PHE 59 N 0.79 3.17 0.45 2.20 -0.12 -1.22 -1.27 117.98 121.99 1wg7 s PHE 59 Ca 0.17 -0.07 0.07 0.00 -0.05 0.00 0.00 56.93 57.05 1wg7 s PHE 59 Cb -0.14 -2.06 -0.01 0.00 -0.63 0.00 0.00 43.02 40.19 1wg7 s PHE 59 CO 0.06 0.06 0.37 0.71 -0.05 0.00 0.00 175.22 176.36 1wg7 s TYR 60 N 0.47 2.38 0.24 3.49 1.51 -0.54 -2.17 117.35 122.73 1wg7 s TYR 60 Ca 0.01 -0.60 0.13 0.00 -1.01 0.00 0.00 57.07 55.60 1wg7 s TYR 60 Cb -0.13 -2.08 0.46 0.00 -0.11 0.00 0.00 41.96 40.10 1wg7 s TYR 60 CO 0.01 -0.20 1.65 1.57 -1.11 0.00 0.00 175.55 177.48 1wg7 h LYS 61 N 1.00 0.00 0.00 -0.62 2.10 -1.90 -0.59 116.57 116.55 1wg7 h LYS 61 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1wg7 h LYS 61 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1wg7 h LYS 61 CO 0.59 0.54 0.00 -0.25 -2.00 0.00 0.00 179.45 178.33 1wg7 n ASP 62 N -3.73 0.00 0.09 7.07 8.00 -1.26 -4.62 116.55 122.09 1wg7 n ASP 62 Ca -0.01 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 1wg7 n ASP 62 Cb 0.58 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.33 -5.84 -1.24 5.08 -1.94 -3.40 114.58 107.57 1wg7 h GLU 63 Ca 0.00 -0.43 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 1wg7 h GLU 63 Cb 0.00 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1wg7 h GLU 63 CO 0.00 1.14 1.51 0.15 -1.00 0.00 0.00 179.01 180.80 1wg7 s LYS 64 N -3.01 2.54 0.00 2.33 3.01 -1.26 -4.91 119.74 118.44 1wg7 s LYS 64 Ca -0.05 1.34 0.00 0.00 -1.01 0.00 0.00 55.97 56.25 1wg7 s LYS 64 Cb 0.08 -4.46 0.00 0.00 -1.01 0.00 0.00 37.83 32.44 1wg7 s LYS 64 CO 0.87 -2.79 0.00 0.44 0.51 0.00 0.00 175.35 174.38 1wg7 n ILE 65 N 7.71 0.00 0.00 2.17 -5.35 -1.26 -4.71 119.36 117.92 1wg7 n ILE 65 Ca 0.30 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 1wg7 n ILE 65 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 -2.76 7.28 2.88 -1.26 -4.91 113.62 114.85 1wg7 n SER 66 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1wg7 n SER 66 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.54 -2.52 -1.46 5.02 -1.26 -4.91 118.16 111.49 1wg7 n LYS 67 Ca 0.00 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1wg7 n LYS 67 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.95 1wg7 n LYS 67 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wg7 s GLU 68 N -3.05 4.33 0.55 1.97 2.02 -1.26 -5.01 118.70 118.25 1wg7 s GLU 68 Ca 0.01 1.58 -0.17 0.00 0.02 0.00 0.00 54.97 56.41 1wg7 s GLU 68 Cb -0.00 -3.61 -0.06 0.00 0.10 0.00 0.00 34.13 30.57 1wg7 s GLU 68 CO 0.01 -0.49 1.04 -1.25 0.02 0.00 0.00 175.26 174.59 1wg7 s PRO 69 N 2.54 3.52 0.39 0.39 0.04 -1.26 -4.94 135.00 135.69 1wg7 s PRO 69 Ca 0.53 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1wg7 s PRO 69 Cb -0.22 -2.06 0.80 0.00 0.04 0.00 0.00 34.50 33.06 1wg7 s PRO 69 CO 0.18 -0.64 1.98 0.87 0.04 0.00 0.00 177.00 179.43 1wg7 h LYS 70 N 0.82 0.43 0.00 4.56 1.79 -1.80 -3.47 116.57 118.90 1wg7 h LYS 70 Ca -0.48 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1wg7 h LYS 70 Cb 1.22 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1wg7 h LYS 70 CO 0.58 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 179.75 1wg7 n GLY 71 N -1.18 1.26 3.62 3.86 0.00 -1.24 -5.05 105.19 106.45 1wg7 n GLY 71 Ca 0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 2.00 -0.39 -0.60 1.61 0.15 -1.26 -3.38 113.70 111.83 1wg7 s SER 72 Ca 0.00 0.66 -0.20 0.00 0.70 0.00 0.00 55.95 57.10 1wg7 s SER 72 Cb 0.00 0.63 0.08 0.00 -1.71 0.00 0.00 66.02 65.02 1wg7 s SER 72 CO 0.00 -0.21 0.79 -0.63 1.20 0.00 0.00 173.24 174.40 1wg7 s ILE 73 N -0.24 4.64 -1.09 6.45 1.01 0.27 -4.93 121.20 127.31 1wg7 s ILE 73 Ca 0.02 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 1wg7 s ILE 73 Cb -0.03 -4.53 -0.23 0.00 0.01 0.00 0.00 42.46 37.67 1wg7 s ILE 73 CO -0.04 -1.19 2.11 0.49 0.00 0.00 0.00 174.94 176.31 1wg7 n PHE 74 N 6.82 1.00 0.23 3.97 3.72 -1.26 -3.44 117.46 128.50 1wg7 n PHE 74 Ca -0.07 -0.24 0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1wg7 n PHE 74 Cb 0.44 -2.61 0.78 0.00 -0.94 0.00 0.00 39.48 37.15 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1wg7 h LEU 75 N 22.39 0.00 -0.48 4.37 3.38 -1.93 0.68 115.31 143.72 1wg7 h LEU 75 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg7 h LEU 75 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wg7 h LEU 75 CO 1.02 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.88 1wg7 n ASP 76 N -2.54 0.56 -0.02 -0.43 -0.08 -1.26 -3.21 116.55 109.56 1wg7 n ASP 76 Ca -0.02 0.62 -0.03 0.00 -1.51 0.00 0.00 54.79 53.85 1wg7 n ASP 76 Cb 0.12 -0.75 -0.03 0.00 2.34 0.00 0.00 41.12 42.80 1wg7 n ASP 76 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wg7 n SER 77 N -2.10 3.77 -4.61 1.67 7.64 0.22 -5.02 113.62 115.19 1wg7 n SER 77 Ca 0.03 -0.01 -0.59 0.00 1.01 0.00 0.00 58.87 59.31 1wg7 n SER 77 Cb 0.25 0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 4.47 0.00 0.00 0.00 0.00 0.19 -3.47 114.93 116.13 1wg7 h MET 79 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.22 1wg7 h MET 79 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.98 1wg7 h MET 79 CO 0.80 0.51 0.00 0.41 0.00 0.00 0.00 176.91 178.63 1wg7 n GLY 80 N 1.36 2.02 3.75 8.32 0.00 -1.17 -4.98 105.19 114.49 1wg7 n GLY 80 Ca -0.06 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 5.18 0.31 1.61 1.01 -1.26 -0.68 120.40 124.57 1wg7 s VAL 81 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.16 1wg7 s VAL 81 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1wg7 s VAL 81 CO 0.00 0.52 0.09 0.68 0.00 0.00 0.00 175.10 176.39 1wg7 s VAL 82 N -0.21 3.22 -0.27 2.92 -7.23 0.11 -4.95 120.40 113.99 1wg7 s VAL 82 Ca 0.10 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1wg7 s VAL 82 Cb -0.12 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1wg7 s VAL 82 CO 0.01 -0.25 0.24 -1.10 -0.31 0.00 0.00 175.10 173.69 1wg7 s GLN 83 N -3.78 4.00 -0.62 4.82 -0.21 -1.26 -1.38 119.66 121.22 1wg7 s GLN 83 Ca 0.35 -0.19 -0.00 0.00 0.02 0.00 0.00 55.36 55.54 1wg7 s GLN 83 Cb -0.04 -3.63 0.16 0.00 1.00 0.00 0.00 33.01 30.50 1wg7 s GLN 83 CO 0.22 -0.16 0.42 1.21 -2.12 0.00 0.00 175.29 174.86 1wg7 s ASN 84 N 1.57 4.98 -0.15 5.90 2.47 0.36 -4.87 114.94 125.20 1wg7 s ASN 84 Ca 0.10 -3.04 0.13 0.00 0.42 0.00 0.00 52.86 50.47 1wg7 s ASN 84 Cb -0.15 -1.78 0.65 0.00 -1.45 0.00 0.00 41.25 38.52 1wg7 s ASN 84 CO 0.09 -0.29 1.52 0.59 -3.72 0.00 0.00 177.10 175.29 1wg7 n ASN 85 N 3.18 4.57 -0.04 -4.21 4.13 -1.26 -3.46 115.26 118.18 1wg7 n ASN 85 Ca 0.09 -2.59 -0.02 0.00 1.68 0.00 0.00 54.58 53.74 1wg7 n ASN 85 Cb 0.36 -0.60 -0.01 0.00 -1.54 0.00 0.00 39.78 37.99 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1wg7 h LYS 86 N 3.41 0.00 0.00 3.52 1.79 -1.90 -3.44 116.57 119.95 1wg7 h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wg7 h LYS 86 Cb 1.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1wg7 h LYS 86 CO 0.32 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 178.97 1wg7 n VAL 87 N -3.86 0.00 -4.15 0.50 0.31 -1.26 -4.86 118.33 105.00 1wg7 n VAL 87 Ca -0.02 0.87 -0.27 0.00 -0.01 0.00 0.00 64.34 64.91 1wg7 n VAL 87 Cb 0.09 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1wg7 s ARG 88 N -1.12 2.56 0.12 5.55 3.52 -1.26 -5.04 118.95 123.27 1wg7 s ARG 88 Ca 0.00 -0.97 -0.32 0.00 -0.13 0.00 0.00 55.73 54.31 1wg7 s ARG 88 Cb 0.00 -2.48 -0.10 0.00 -1.56 0.00 0.00 34.95 30.81 1wg7 s ARG 88 CO 0.00 0.49 1.57 0.00 -0.81 0.00 0.00 175.30 176.55 1wg7 h ARG 89 N 2.84 -0.62 -3.42 5.12 2.47 -1.83 -3.21 114.38 115.72 1wg7 h ARG 89 Ca -0.47 0.04 -0.76 0.00 -1.26 0.00 0.00 59.98 57.53 1wg7 h ARG 89 Cb 1.19 0.14 -0.31 0.00 -1.65 0.00 0.00 29.97 29.34 1wg7 h ARG 89 CO 0.60 -0.41 0.26 1.19 0.56 0.00 0.00 179.97 182.17 1wg7 n PHE 90 N -5.46 4.76 -3.80 3.04 3.72 -1.26 -4.51 117.46 113.94 1wg7 n PHE 90 Ca -0.07 -3.94 -0.15 0.00 -0.05 0.00 0.00 57.45 53.24 1wg7 n PHE 90 Cb 0.39 -1.47 -0.16 0.00 -0.94 0.00 0.00 39.48 37.30 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 -1.41 0.11 0.05 4.37 0.00 -1.21 -2.14 121.76 121.53 1wg7 s ALA 91 Ca 0.30 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.59 1wg7 s ALA 91 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1wg7 s ALA 91 CO -0.09 -0.09 -0.19 -0.59 0.00 0.00 0.00 175.76 174.80 1wg7 s PHE 92 N 0.99 1.61 -0.09 0.00 -0.71 0.18 0.14 117.98 120.10 1wg7 s PHE 92 Ca -0.09 -0.38 -0.04 0.00 -1.04 0.00 0.00 56.93 55.39 1wg7 s PHE 92 Cb -0.12 -0.94 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 1wg7 s PHE 92 CO -0.03 0.09 0.07 -2.00 -1.34 0.00 0.00 175.22 172.02 1wg7 s GLU 93 N -1.32 3.18 -0.53 1.99 2.12 -0.48 -0.01 118.70 123.65 1wg7 s GLU 93 Ca 0.05 -0.30 -0.17 0.00 0.36 0.00 0.00 54.97 54.91 1wg7 s GLU 93 Cb -0.09 -2.96 0.10 0.00 0.26 0.00 0.00 34.13 31.44 1wg7 s GLU 93 CO 0.02 0.73 0.53 -0.51 -0.54 0.00 0.00 175.26 175.49 1wg7 s LEU 94 N -1.06 5.72 0.06 2.70 2.01 0.05 0.07 118.68 128.22 1wg7 s LEU 94 Ca 0.15 -1.48 -0.31 0.00 0.01 0.00 0.00 54.13 52.51 1wg7 s LEU 94 Cb -0.12 -2.25 -0.07 0.00 0.01 0.00 0.00 46.19 43.76 1wg7 s LEU 94 CO 0.05 -0.86 1.40 -0.54 1.01 0.00 0.00 176.35 177.40 1wg7 s LYS 95 N 1.97 4.30 0.54 1.70 -0.14 0.15 -2.75 119.74 125.51 1wg7 s LYS 95 Ca 0.07 2.02 0.06 0.00 -1.36 0.00 0.00 55.97 56.76 1wg7 s LYS 95 Cb -0.26 -3.42 0.04 0.00 -1.68 0.00 0.00 37.83 32.51 1wg7 s LYS 95 CO 0.06 -0.50 0.46 -1.64 -0.76 0.00 0.00 175.35 172.96 1wg7 s MET 96 N 1.78 2.28 -0.01 1.68 -1.94 -0.67 0.19 119.30 122.61 1wg7 s MET 96 Ca 0.64 -1.94 0.07 0.00 -1.71 0.00 0.00 55.69 52.75 1wg7 s MET 96 Cb -0.34 -2.19 -0.10 0.00 2.01 0.00 0.00 34.83 34.21 1wg7 s MET 96 CO 0.29 -0.62 0.19 0.00 -0.01 0.00 0.00 175.02 174.86 1wg7 n GLN 97 N -1.82 1.51 -0.66 2.03 10.64 -1.17 -4.48 117.38 123.45 1wg7 n GLN 97 Ca 0.01 -0.05 -0.05 0.00 -1.83 0.00 0.00 57.00 55.08 1wg7 n GLN 97 Cb 0.64 -1.07 0.18 0.00 -0.86 0.00 0.00 30.24 29.13 1wg7 n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wg7 n ASP 98 N -1.58 3.68 -2.43 2.61 9.92 -1.26 -4.92 116.55 122.57 1wg7 n ASP 98 Ca -0.01 -2.78 -0.01 0.00 -0.53 0.00 0.00 54.79 51.46 1wg7 n ASP 98 Cb 0.16 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 39.97 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wg7 n LYS 99 N -0.07 -2.95 0.00 -1.24 5.02 -1.26 -5.06 118.16 112.59 1wg7 n LYS 99 Ca 0.27 2.43 0.00 0.00 -2.02 0.00 0.00 58.31 58.99 1wg7 n LYS 99 Cb 1.03 -4.41 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wg7 n SER 100 N 0.72 0.00 -3.55 4.39 3.41 -1.26 -5.05 113.62 112.27 1wg7 n SER 100 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1wg7 n SER 100 Cb 0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wg7 s SER 101 N 0.00 -0.51 -0.13 4.04 1.04 -1.26 -1.68 113.70 115.20 1wg7 s SER 101 Ca 0.00 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.98 1wg7 s SER 101 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1wg7 s SER 101 CO 0.00 -0.46 -0.04 -0.31 0.98 0.00 0.00 173.24 173.40 1wg7 s TYR 102 N -1.11 3.02 -0.79 5.02 2.02 -1.11 -4.80 117.35 119.59 1wg7 s TYR 102 Ca -0.06 -0.19 -0.20 0.00 -0.37 0.00 0.00 57.07 56.25 1wg7 s TYR 102 Cb -0.00 -1.88 0.11 0.00 -0.40 0.00 0.00 41.96 39.78 1wg7 s TYR 102 CO 0.05 0.09 1.01 -1.17 -1.57 0.00 0.00 175.55 173.96 1wg7 s LEU 103 N -0.02 4.94 0.22 -1.29 2.96 -1.11 -0.77 118.68 123.61 1wg7 s LEU 103 Ca 0.01 -1.65 -0.04 0.00 -0.22 0.00 0.00 54.13 52.23 1wg7 s LEU 103 Cb -0.13 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1wg7 s LEU 103 CO 0.03 -1.18 0.47 -0.76 -1.32 0.00 0.00 176.35 173.59 1wg7 s LEU 104 N 3.05 4.17 -0.28 -0.68 1.43 0.98 -0.92 118.68 126.42 1wg7 s LEU 104 Ca 0.26 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1wg7 s LEU 104 Cb -0.11 -3.41 0.11 0.00 0.03 0.00 0.00 46.19 42.81 1wg7 s LEU 104 CO -0.01 -0.08 0.81 0.00 0.23 0.00 0.00 176.35 177.30 1wg7 s ALA 105 N -1.89 -2.04 0.54 4.21 0.00 -1.00 0.48 121.76 122.06 1wg7 s ALA 105 Ca 0.42 2.33 0.09 0.00 0.00 0.00 0.00 51.96 54.81 1wg7 s ALA 105 Cb -0.11 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.53 1wg7 s ALA 105 CO 0.27 -0.37 0.71 0.00 0.00 0.00 0.00 175.76 176.38 1wg7 s ALA 106 N 1.50 4.65 0.07 0.00 0.00 -0.91 0.60 121.76 127.67 1wg7 s ALA 106 Ca -0.10 -1.99 0.06 0.00 0.00 0.00 0.00 51.96 49.94 1wg7 s ALA 106 Cb -0.04 -1.45 -0.23 0.00 0.00 0.00 0.00 23.12 21.40 1wg7 s ALA 106 CO -0.18 -0.70 1.08 -0.44 0.00 0.00 0.00 175.76 175.53 1wg7 h ASP 107 N 0.33 0.08 -4.14 0.00 3.32 -1.87 -3.44 116.42 110.69 1wg7 h ASP 107 Ca -0.33 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.29 1wg7 h ASP 107 Cb 1.29 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.65 1wg7 h ASP 107 CO 0.43 1.08 -0.73 -0.44 -1.72 0.00 0.00 179.24 177.86 1wg7 s SER 108 N -6.64 1.70 0.26 6.45 0.01 -1.26 -5.01 113.70 109.22 1wg7 s SER 108 Ca -0.02 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.31 1wg7 s SER 108 Cb 0.09 -0.02 0.53 0.00 0.21 0.00 0.00 66.02 66.84 1wg7 s SER 108 CO 0.83 -0.27 1.66 1.05 0.41 0.00 0.00 173.24 176.92 1wg7 h GLU 109 N 3.23 0.19 0.22 12.44 4.11 -1.94 0.13 114.58 132.96 1wg7 h GLU 109 Ca -0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 1wg7 h GLU 109 Cb 1.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wg7 h GLU 109 CO 0.57 0.12 -0.25 -0.24 0.07 0.00 0.00 179.01 179.28 1wg7 h VAL 110 N 0.19 0.00 -0.18 -1.06 3.04 -1.97 1.36 116.25 117.62 1wg7 h VAL 110 Ca 0.46 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 66.20 1wg7 h VAL 110 Cb 0.84 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 1wg7 h VAL 110 CO -0.61 0.00 0.53 -0.33 -1.01 0.00 0.00 177.57 176.15 1wg7 h GLU 111 N -0.47 0.00 0.03 4.17 5.08 -1.71 1.61 114.58 123.30 1wg7 h GLU 111 Ca -0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 1wg7 h GLU 111 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1wg7 h GLU 111 CO -0.04 0.00 -1.64 1.98 -1.00 0.00 0.00 179.01 178.31 1wg7 h MET 112 N 0.00 0.07 0.13 2.33 4.05 0.13 -3.31 114.93 118.33 1wg7 h MET 112 Ca 0.09 -0.13 -0.32 0.00 -0.28 0.00 0.00 59.70 59.07 1wg7 h MET 112 Cb 1.14 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1wg7 h MET 112 CO -0.00 0.75 -1.59 1.05 0.23 0.00 0.00 176.91 177.35 1wg7 h GLU 113 N 0.02 0.27 0.00 0.39 4.11 0.94 -2.83 114.58 117.49 1wg7 h GLU 113 Ca -0.26 -0.46 0.03 0.00 0.07 0.00 0.00 59.36 58.73 1wg7 h GLU 113 Cb 1.99 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.36 1wg7 h GLU 113 CO 0.10 1.14 -0.37 0.93 0.07 0.00 0.00 179.01 180.87 1wg7 h GLU 114 N 0.07 -0.51 0.47 1.06 5.08 0.17 0.92 114.58 121.84 1wg7 h GLU 114 Ca -0.27 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1wg7 h GLU 114 Cb 2.03 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.40 1wg7 h GLU 114 CO 0.16 -0.34 -0.22 -1.49 -1.00 0.00 0.00 179.01 176.12 1wg7 h TRP 115 N -0.53 -0.58 -1.91 4.33 4.06 -1.71 0.92 115.95 120.53 1wg7 h TRP 115 Ca 0.05 -0.01 0.55 0.00 2.06 0.00 0.00 58.89 61.54 1wg7 h TRP 115 Cb 0.61 0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 28.89 1wg7 h TRP 115 CO -0.39 -0.27 1.39 -0.89 -3.56 0.00 0.00 178.44 174.73 1wg7 n ILE 116 N -5.28 0.00 -0.05 1.49 5.41 -1.05 0.64 119.36 120.51 1wg7 n ILE 116 Ca -0.11 1.45 -0.02 0.00 1.00 0.00 0.00 62.75 65.07 1wg7 n ILE 116 Cb 0.30 -2.42 -0.01 0.00 -0.71 0.00 0.00 39.64 36.80 1wg7 n ILE 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wg7 h THR 117 N 0.00 0.00 -0.80 1.39 2.02 -0.14 -2.80 112.91 112.57 1wg7 h THR 117 Ca 0.91 -0.88 0.17 0.00 0.77 0.00 0.00 66.41 67.38 1wg7 h THR 117 Cb 3.68 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 69.94 1wg7 h THR 117 CO -0.01 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.16 1wg7 h ILE 118 N -0.88 0.22 0.86 3.11 5.03 0.19 4.70 117.51 130.74 1wg7 h ILE 118 Ca 0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 64.86 64.69 1wg7 h ILE 118 Cb 0.26 0.19 0.01 0.00 -3.03 0.00 0.00 36.82 34.25 1wg7 h ILE 118 CO 0.00 0.01 -0.41 -0.07 -0.68 0.00 0.00 178.15 176.99 1wg7 h LEU 119 N 0.03 -0.98 0.00 1.44 3.38 0.02 -0.66 115.31 118.55 1wg7 h LEU 119 Ca 0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1wg7 h LEU 119 Cb 0.68 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wg7 h LEU 119 CO -0.79 -0.69 0.00 -0.46 0.09 0.00 0.00 178.44 176.59 1wg7 n ASN 120 N -5.58 0.00 -0.03 -0.43 0.23 0.02 -1.99 115.26 107.48 1wg7 n ASN 120 Ca -0.15 0.40 -0.11 0.00 -0.53 0.00 0.00 54.58 54.19 1wg7 n ASN 120 Cb 0.46 -0.44 -0.09 0.00 -2.08 0.00 0.00 39.78 37.63 1wg7 n ASN 120 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1wg7 h LYS 121 N 0.00 -0.05 0.00 -3.83 1.63 1.05 -1.93 116.57 113.44 1wg7 h LYS 121 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1wg7 h LYS 121 Cb 0.15 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1wg7 h LYS 121 CO 0.00 0.61 -0.03 0.82 -3.45 0.00 0.00 179.45 177.40 1wg7 h ILE 122 N -0.91 0.09 0.22 2.00 5.03 -0.73 0.11 117.51 123.32 1wg7 h ILE 122 Ca -0.00 -0.50 -0.01 0.00 -0.12 0.00 0.00 64.86 64.22 1wg7 h ILE 122 Cb 0.68 1.46 0.00 0.00 -3.03 0.00 0.00 36.82 35.93 1wg7 h ILE 122 CO 0.01 0.03 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.33 1wg7 h LEU 123 N 0.00 -0.25 -1.54 1.44 4.07 -1.42 0.27 115.31 117.88 1wg7 h LEU 123 Ca -0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 1wg7 h LEU 123 Cb 0.45 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1wg7 h LEU 123 CO 0.00 0.27 -0.14 1.56 -1.08 0.00 0.00 178.44 179.06 1wg7 h GLN 124 N -0.98 0.12 -0.01 1.13 1.08 -1.22 -1.94 115.11 113.30 1wg7 h GLN 124 Ca -0.03 -0.02 -0.24 0.00 -1.45 0.00 0.00 58.65 56.90 1wg7 h GLN 124 Cb 0.45 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1wg7 h GLN 124 CO 0.05 0.27 -0.97 -0.07 -0.95 0.00 0.00 178.83 177.16 1wg7 h LEU 125 N 0.12 0.70 -2.44 1.46 4.07 -1.01 -2.93 115.31 115.27 1wg7 h LEU 125 Ca 0.02 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.43 1wg7 h LEU 125 Cb 0.32 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1wg7 h LEU 125 CO 0.02 1.35 -0.03 0.78 -1.08 0.00 0.00 178.44 179.48 1wg7 h ASN 126 N 0.31 0.00 0.04 -0.43 2.35 0.30 -1.39 115.58 116.76 1wg7 h ASN 126 Ca -0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1wg7 h ASN 126 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1wg7 h ASN 126 CO 0.18 0.03 -0.02 0.15 -1.65 0.00 0.00 177.43 176.12 1wg7 h PHE 127 N 0.00 -0.05 0.00 1.19 3.04 -1.24 -3.15 116.94 116.72 1wg7 h PHE 127 Ca -0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1wg7 h PHE 127 Cb 0.11 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1wg7 h PHE 127 CO 0.00 0.56 -0.08 0.93 -2.02 0.00 0.00 178.31 177.70 1wg7 h GLU 128 N -0.75 0.00 0.00 1.11 5.08 -1.36 0.16 114.58 118.83 1wg7 h GLU 128 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wg7 h GLU 128 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1wg7 h GLU 128 CO 0.01 0.08 -0.01 0.00 -1.00 0.00 0.00 179.01 178.09 1wg7 h ALA 129 N 1.92 1.01 0.00 3.43 0.00 -1.27 -1.12 119.26 123.24 1wg7 h ALA 129 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wg7 h ALA 129 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wg7 h ALA 129 CO 0.01 0.01 -0.73 0.00 0.00 0.00 0.00 179.25 178.54 1wg7 n ALA 130 N -2.10 0.64 0.02 0.00 0.00 0.39 -3.54 120.51 115.92 1wg7 n ALA 130 Ca -0.01 -0.59 0.22 0.00 0.00 0.00 0.00 53.44 53.06 1wg7 n ALA 130 Cb 0.24 0.02 0.65 0.00 0.00 0.00 0.00 19.45 20.35 1wg7 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg7 h MET 131 N -1.00 0.00 0.08 0.00 3.00 -1.06 1.34 114.93 117.28 1wg7 h MET 131 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 59.70 59.43 1wg7 h MET 131 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.32 1wg7 h MET 131 CO -0.00 0.00 -1.25 1.96 0.00 0.00 0.00 176.91 177.61 1wg7 h GLN 132 N 0.00 0.17 0.00 -0.10 1.08 -1.38 -3.26 115.11 111.62 1wg7 h GLN 132 Ca 0.27 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1wg7 h GLN 132 Cb 1.64 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.18 1wg7 h GLN 132 CO -0.00 1.09 -0.41 0.93 -0.95 0.00 0.00 178.83 179.49 1wg7 h GLU 133 N 0.05 0.00 -0.34 1.46 4.39 0.14 -3.32 114.58 116.96 1wg7 h GLU 133 Ca -0.13 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.65 1wg7 h GLU 133 Cb 1.92 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.49 1wg7 h GLU 133 CO 0.17 0.19 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.79 1wg7 h LYS 134 N 0.00 -0.15 -2.32 2.33 3.64 -0.09 -1.32 116.57 118.65 1wg7 h LYS 134 Ca -0.01 0.01 -0.44 0.00 -1.27 0.00 0.00 60.65 58.93 1wg7 h LYS 134 Cb 1.18 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1wg7 h LYS 134 CO 0.03 -0.10 1.16 0.54 -2.27 0.00 0.00 179.45 178.81 1wg7 n ARG 135 N -5.37 2.84 -3.23 1.90 3.00 -1.25 -4.62 116.66 109.93 1wg7 n ARG 135 Ca 0.01 -1.90 -0.03 0.00 -0.01 0.00 0.00 57.85 55.92 1wg7 n ARG 135 Cb 0.28 -2.30 -0.03 0.00 0.00 0.00 0.00 32.46 30.40 1wg7 n ARG 135 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1wg7 s ASN 136 N 1.47 -0.58 0.09 0.55 -0.87 -0.50 -5.05 114.94 110.04 1wg7 s ASN 136 Ca 0.64 -0.06 -0.18 0.00 -1.57 0.00 0.00 52.86 51.69 1wg7 s ASN 136 Cb 0.28 1.56 -0.04 0.00 -0.02 0.00 0.00 41.25 43.03 1wg7 s ASN 136 CO -0.08 -0.33 1.30 0.61 -2.57 0.00 0.00 177.10 176.04 1wg7 n GLY 137 N 5.39 -2.78 3.32 0.66 0.00 -1.26 -4.27 105.19 106.24 1wg7 n GLY 137 Ca 0.02 0.93 -0.55 0.00 0.00 0.00 0.00 46.02 46.42 1wg7 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 138 N -4.31 0.85 -3.59 1.61 9.92 -1.26 -4.82 116.55 114.95 1wg7 n ASP 138 Ca 0.01 0.54 -0.06 0.00 -0.53 0.00 0.00 54.79 54.75 1wg7 n ASP 138 Cb 0.15 -0.95 -0.01 0.00 -0.64 0.00 0.00 41.12 39.67 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1wg7 s SER 139 N 6.78 -0.16 -0.29 -2.24 0.15 -1.26 -5.07 113.70 111.61 1wg7 s SER 139 Ca 1.21 -0.68 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 1wg7 s SER 139 Cb -1.36 0.67 0.12 0.00 -1.71 0.00 0.00 66.02 63.74 1wg7 s SER 139 CO 0.60 -1.28 0.82 -1.00 1.20 0.00 0.00 173.24 173.58 1wg7 s HIS 140 N -3.27 -0.91 0.31 3.44 3.76 -1.26 -5.17 115.29 112.18 1wg7 s HIS 140 Ca 0.13 1.72 0.09 0.00 -0.15 0.00 0.00 55.06 56.86 1wg7 s HIS 140 Cb -0.04 0.55 -0.05 0.00 1.11 0.00 0.00 32.58 34.15 1wg7 s HIS 140 CO 0.07 -0.45 0.00 -2.00 -0.85 0.00 0.00 174.74 171.51 1wg7 s GLU 141 N 1.95 2.14 0.00 1.40 -6.30 -1.26 -4.80 118.70 111.83 1wg7 s GLU 141 Ca -0.08 -1.63 0.00 0.00 -2.50 0.00 0.00 54.97 50.76 1wg7 s GLU 141 Cb -0.06 -2.01 0.00 0.00 0.00 0.00 0.00 34.13 32.06 1wg7 s GLU 141 CO -0.18 0.22 0.00 -3.47 0.02 0.00 0.00 175.26 171.85 1wg7 n ASP 142 N -0.93 0.00 -1.03 -1.70 2.03 -1.26 -5.16 116.55 108.50 1wg7 n ASP 142 Ca -0.05 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.40 1wg7 n ASP 142 Cb 0.61 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.97 1wg7 n ASP 142 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wg7 n ASP 143 N 0.00 -6.11 -3.37 1.67 8.00 -1.26 -4.95 116.55 110.54 1wg7 n ASP 143 Ca 0.00 0.44 -0.15 0.00 0.71 0.00 0.00 54.79 55.80 1wg7 n ASP 143 Cb 0.00 -3.13 0.03 0.00 -0.02 0.00 0.00 41.12 38.00 1wg7 n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wg7 n GLU 144 N -3.36 -1.52 -3.72 -1.24 1.02 -1.26 -5.02 120.64 105.55 1wg7 n GLU 144 Ca 0.00 1.00 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1wg7 n GLU 144 Cb 0.47 -4.83 -0.07 0.00 -0.02 0.00 0.00 31.44 26.98 1wg7 n GLU 144 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wg7 s SER 145 N -3.19 -0.22 -0.25 1.62 0.15 -1.26 -4.66 113.70 105.88 1wg7 s SER 145 Ca 0.21 0.01 -0.36 0.00 0.70 0.00 0.00 55.95 56.51 1wg7 s SER 145 Cb -0.05 0.37 0.16 0.00 -1.71 0.00 0.00 66.02 64.78 1wg7 s SER 145 CO 0.80 -0.57 1.31 -0.83 1.20 0.00 0.00 173.24 175.15 1wg7 s GLY 146 N -1.74 -0.18 0.37 9.45 0.00 -1.26 -5.16 107.32 108.80 1wg7 s GLY 146 Ca -0.08 1.97 -0.25 0.00 0.00 0.00 0.00 44.72 46.35 1wg7 s GLY 146 CO 0.00 0.69 1.06 2.56 0.00 0.00 0.00 173.10 177.42 1wg7 s PRO 147 N -1.98 4.28 -0.30 2.90 0.04 -1.26 -5.04 135.00 133.64 1wg7 s PRO 147 Ca 0.10 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1wg7 s PRO 147 Cb -0.01 -2.70 0.14 0.00 0.04 0.00 0.00 34.50 31.97 1wg7 s PRO 147 CO -0.04 -0.06 0.82 -1.54 0.04 0.00 0.00 177.00 176.22 1wg7 s SER 148 N -1.39 -0.86 0.34 6.66 1.04 -1.26 -5.05 113.70 113.18 1wg7 s SER 148 Ca 0.54 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1wg7 s SER 148 Cb -0.25 1.93 0.00 0.00 0.10 0.00 0.00 66.02 67.81 1wg7 s SER 148 CO 0.31 -0.17 0.00 -0.24 0.98 0.00 0.00 173.24 174.12 1wg7 n SER 149 N 5.11 -1.84 0.00 7.02 2.88 -1.26 -5.16 113.62 120.37 1wg7 n SER 149 Ca -0.11 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wg7 n SER 149 Cb 0.51 1.85 0.00 0.00 -0.75 0.00 0.00 64.21 65.82 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42