#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 n SER 2 N 0.00 1.44 -3.19 1.61 7.64 -1.26 -5.07 113.62 114.79 1wg7 n SER 2 Ca 0.00 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.15 1wg7 n SER 2 Cb 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg7 s SER 3 N -5.99 -0.24 0.00 6.43 1.04 -1.26 -5.14 113.70 108.54 1wg7 s SER 3 Ca -0.15 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1wg7 s SER 3 Cb 0.03 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1wg7 s SER 3 CO 0.21 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1wg7 n GLY 4 N 5.17 0.11 3.07 7.32 0.00 -1.26 -5.02 105.19 114.57 1wg7 n GLY 4 Ca -0.08 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1wg7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg7 n SER 5 N 0.00 -6.72 -3.58 1.61 2.88 -1.25 -4.83 113.62 101.73 1wg7 n SER 5 Ca 0.00 0.70 0.03 0.00 -1.33 0.00 0.00 58.87 58.27 1wg7 n SER 5 Cb 0.00 -2.36 -0.00 0.00 -0.75 0.00 0.00 64.21 61.10 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg7 s SER 6 N -0.93 -0.02 0.54 -3.46 0.15 -1.26 -4.96 113.70 103.75 1wg7 s SER 6 Ca -0.01 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wg7 s SER 6 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1wg7 s SER 6 CO 0.17 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wg7 n GLY 7 N -0.48 -2.47 3.60 9.45 0.00 -1.26 -4.29 105.19 109.74 1wg7 n GLY 7 Ca -0.09 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 s ALA 8 N -2.86 3.05 -0.31 4.61 0.00 -1.26 -3.73 121.76 121.26 1wg7 s ALA 8 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1wg7 s ALA 8 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.90 1wg7 s ALA 8 CO 0.00 0.58 0.45 0.00 0.00 0.00 0.00 175.76 176.80 1wg7 n ALA 9 N 2.08 -2.21 -1.35 0.00 0.00 -1.26 -4.58 120.51 113.18 1wg7 n ALA 9 Ca -0.18 0.24 0.16 0.00 0.00 0.00 0.00 53.44 53.67 1wg7 n ALA 9 Cb 0.53 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1wg7 n ALA 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wg7 n SER 10 N 0.29 -7.43 -4.86 0.00 3.41 -1.26 -4.83 113.62 98.95 1wg7 n SER 10 Ca -0.06 1.08 -0.36 0.00 -0.26 0.00 0.00 58.87 59.27 1wg7 n SER 10 Cb 0.62 -4.47 -0.06 0.00 -0.26 0.00 0.00 64.21 60.04 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wg7 s LEU 11 N -6.85 4.41 0.08 1.04 1.43 -1.26 -4.79 118.68 112.73 1wg7 s LEU 11 Ca 0.00 0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 1wg7 s LEU 11 Cb 0.00 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.64 1wg7 s LEU 11 CO 0.00 0.28 0.53 -0.83 0.23 0.00 0.00 176.35 176.56 1wg7 s GLY 12 N -1.39 -0.46 0.23 -3.19 0.00 -1.26 -5.13 107.32 96.13 1wg7 s GLY 12 Ca 0.26 0.51 -0.22 0.00 0.00 0.00 0.00 44.72 45.26 1wg7 s GLY 12 CO 0.14 0.20 0.80 -0.56 0.00 0.00 0.00 173.10 173.68 1wg7 s SER 13 N -2.25 -0.24 0.40 1.64 0.01 -1.26 -5.11 113.70 106.89 1wg7 s SER 13 Ca -0.03 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.74 1wg7 s SER 13 Cb -0.00 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1wg7 s SER 13 CO -0.05 -1.19 0.06 0.00 0.41 0.00 0.00 173.24 172.46 1wg7 s GLN 14 N -3.70 1.88 0.00 12.44 -2.07 -1.26 -5.17 119.66 121.79 1wg7 s GLN 14 Ca 0.11 -2.11 -0.13 0.00 -1.82 0.00 0.00 55.36 51.41 1wg7 s GLN 14 Cb -0.04 -1.06 0.02 0.00 -1.09 0.00 0.00 33.01 30.83 1wg7 s GLN 14 CO 0.05 -0.27 0.27 0.15 -1.32 0.00 0.00 175.29 174.17 1wg7 s LYS 15 N -3.81 0.67 0.00 9.60 1.02 -1.26 -5.09 119.74 120.87 1wg7 s LYS 15 Ca 0.27 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1wg7 s LYS 15 Cb 0.06 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 1wg7 s LYS 15 CO 0.13 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1wg7 n GLY 16 N 1.11 -0.49 0.00 -3.33 0.00 -1.26 -5.14 105.19 96.07 1wg7 n GLY 16 Ca -0.21 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.45 3.62 -0.02 0.00 -1.26 -5.18 105.19 105.81 1wg7 n GLY 17 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1wg7 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg7 s ILE 18 N -1.73 2.40 0.00 -0.61 1.01 -1.26 -5.13 121.20 115.87 1wg7 s ILE 18 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1wg7 s ILE 18 Cb 0.00 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1wg7 s ILE 18 CO 0.00 -0.15 0.00 1.07 0.00 0.00 0.00 174.94 175.86 1wg7 n THR 19 N -0.95 0.00 0.00 2.92 5.66 -1.26 -4.88 114.28 115.77 1wg7 n THR 19 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1wg7 n THR 19 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 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 -0.55 -0.30 -3.09 1.09 4.81 -1.26 -5.06 118.16 113.79 1wg7 n LYS 20 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1wg7 n LYS 20 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1wg7 n LYS 20 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1wg7 n HIS 21 N -0.02 -1.64 0.00 5.64 -0.00 -1.26 -3.12 115.22 114.82 1wg7 n HIS 21 Ca 0.00 -1.47 0.00 0.00 0.46 0.00 0.00 57.72 56.71 1wg7 n HIS 21 Cb 0.00 0.55 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1wg7 n HIS 21 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wg7 n GLY 22 N -0.39 3.44 3.61 1.57 0.00 -1.24 -4.98 105.19 107.20 1wg7 n GLY 22 Ca -0.03 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.15 3.23 0.51 1.61 0.52 -1.26 -1.10 118.94 120.30 1wg7 s TRP 23 Ca 0.00 0.76 0.06 0.00 0.02 0.00 0.00 56.10 56.93 1wg7 s TRP 23 Cb 0.00 -3.06 0.02 0.00 -1.15 0.00 0.00 33.47 29.28 1wg7 s TRP 23 CO 0.00 -0.48 0.35 -0.51 0.02 0.00 0.00 176.95 176.33 1wg7 s LEU 24 N 2.74 2.82 -0.35 2.99 1.02 0.13 -4.75 118.68 123.28 1wg7 s LEU 24 Ca 0.29 -1.18 0.03 0.00 0.02 0.00 0.00 54.13 53.29 1wg7 s LEU 24 Cb -0.15 -1.31 0.10 0.00 0.02 0.00 0.00 46.19 44.86 1wg7 s LEU 24 CO 0.11 -0.96 0.08 -0.31 0.02 0.00 0.00 176.35 175.29 1wg7 s TYR 25 N -2.72 3.32 0.54 0.29 1.51 -0.53 -0.46 117.35 119.31 1wg7 s TYR 25 Ca 0.35 -2.79 -0.16 0.00 -1.01 0.00 0.00 57.07 53.46 1wg7 s TYR 25 Cb -0.01 -2.69 -0.06 0.00 -0.11 0.00 0.00 41.96 39.09 1wg7 s TYR 25 CO 0.21 -0.91 1.01 0.21 -1.11 0.00 0.00 175.55 174.96 1wg7 s LYS 26 N 0.90 3.73 -0.07 -0.62 2.20 -1.19 -2.31 119.74 122.37 1wg7 s LYS 26 Ca 0.12 1.03 -0.27 0.00 -0.36 0.00 0.00 55.97 56.49 1wg7 s LYS 26 Cb -0.19 -2.10 0.09 0.00 -1.51 0.00 0.00 37.83 34.11 1wg7 s LYS 26 CO -0.10 -0.46 1.19 0.41 -0.36 0.00 0.00 175.35 176.04 1wg7 n GLY 27 N -1.40 0.14 3.06 5.54 0.00 -0.81 -4.01 105.19 107.71 1wg7 n GLY 27 Ca 0.07 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.61 4.89 1.01 1.61 2.47 -1.19 -1.92 114.94 118.21 1wg7 s ASN 28 Ca 0.28 -2.00 -0.19 0.00 0.42 0.00 0.00 52.86 51.37 1wg7 s ASN 28 Cb -0.00 -1.68 -0.08 0.00 -1.45 0.00 0.00 41.25 38.04 1wg7 s ASN 28 CO -0.02 -0.40 -0.61 0.80 -3.72 0.00 0.00 177.10 173.15 1wg7 n MET 29 N 4.39 -0.37 0.00 0.43 1.56 -1.26 -3.94 117.12 117.92 1wg7 n MET 29 Ca -0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1wg7 n MET 29 Cb 0.42 -1.31 0.00 0.00 2.15 0.00 0.00 33.22 34.47 1wg7 n MET 29 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1wg7 n ASN 30 N 1.49 0.00 0.00 6.12 4.13 -1.26 -4.66 115.26 121.08 1wg7 n ASN 30 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1wg7 n ASN 30 Cb 0.62 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wg7 n SER 31 N 0.00 0.00 -4.63 6.41 7.64 -1.26 -4.38 113.62 117.40 1wg7 n SER 31 Ca 0.00 0.94 -0.46 0.00 1.01 0.00 0.00 58.87 60.36 1wg7 n SER 31 Cb 0.00 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n ALA 32 N -2.02 1.26 0.13 -0.43 0.00 -1.26 -4.81 120.51 113.37 1wg7 n ALA 32 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1wg7 n ALA 32 Cb 0.00 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 16.75 1wg7 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wg7 h ILE 33 N 6.06 0.40 -1.84 0.00 6.09 -1.98 0.43 117.51 126.67 1wg7 h ILE 33 Ca -0.45 0.00 0.53 0.00 -1.37 0.00 0.00 64.86 63.58 1wg7 h ILE 33 Cb 1.26 0.40 -0.07 0.00 0.47 0.00 0.00 36.82 38.88 1wg7 h ILE 33 CO 0.96 0.00 1.39 -0.24 -3.07 0.00 0.00 178.15 177.18 1wg7 n SER 34 N -5.39 0.00 -0.09 2.19 2.88 -1.26 0.26 113.62 112.20 1wg7 n SER 34 Ca -0.07 0.95 -0.15 0.00 -1.33 0.00 0.00 58.87 58.26 1wg7 n SER 34 Cb 0.30 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 1wg7 n SER 34 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1wg7 n VAL 35 N -3.80 1.49 -0.59 2.46 0.31 0.04 -3.96 118.33 114.27 1wg7 n VAL 35 Ca 0.41 0.04 0.45 0.00 -0.01 0.00 0.00 64.34 65.23 1wg7 n VAL 35 Cb 1.94 -2.18 0.71 0.00 -0.91 0.00 0.00 33.84 33.40 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 -4.48 -0.05 0.15 2.52 5.66 0.14 0.10 114.28 118.32 1wg7 n THR 36 Ca -0.24 1.39 -0.11 0.00 -3.05 0.00 0.00 64.05 62.04 1wg7 n THR 36 Cb 0.54 -2.31 -0.06 0.00 -1.55 0.00 0.00 70.33 66.95 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 -0.44 -5.83 1.09 2.86 -1.21 -3.16 114.93 108.25 1wg7 h MET 37 Ca 0.83 0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 58.27 1wg7 h MET 37 Cb 3.20 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 34.95 1wg7 h MET 37 CO -0.10 -0.14 -0.51 0.54 1.06 0.00 0.00 176.91 177.76 1wg7 n ARG 38 N -5.09 -0.70 -2.61 1.72 3.00 0.28 -1.60 116.66 111.65 1wg7 n ARG 38 Ca -0.08 0.33 -0.07 0.00 -0.01 0.00 0.00 57.85 58.02 1wg7 n ARG 38 Cb 0.25 -1.00 0.03 0.00 0.00 0.00 0.00 32.46 31.75 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wg7 n SER 39 N -0.93 -5.34 -3.92 0.55 7.64 -1.26 -4.59 113.62 105.78 1wg7 n SER 39 Ca -0.15 -0.32 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 1wg7 n SER 39 Cb 0.32 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1wg7 n SER 39 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1wg7 n PHE 40 N -2.25 3.34 -2.53 1.43 7.35 -0.63 -4.72 117.46 119.44 1wg7 n PHE 40 Ca -0.03 -2.89 -0.23 0.00 -0.76 0.00 0.00 57.45 53.54 1wg7 n PHE 40 Cb 0.55 -2.14 0.04 0.00 0.35 0.00 0.00 39.48 38.28 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1wg7 s LYS 41 N 1.32 2.49 -0.26 -4.13 3.01 -1.26 -4.93 119.74 115.98 1wg7 s LYS 41 Ca 0.42 -0.61 -0.06 0.00 -1.01 0.00 0.00 55.97 54.71 1wg7 s LYS 41 Cb 0.09 -2.40 -0.01 0.00 -1.01 0.00 0.00 37.83 34.50 1wg7 s LYS 41 CO -0.02 -0.83 0.05 0.50 0.51 0.00 0.00 175.35 175.56 1wg7 s ARG 42 N -4.89 3.42 0.20 1.68 3.52 -1.26 -3.20 118.95 118.42 1wg7 s ARG 42 Ca 0.57 -0.62 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 1wg7 s ARG 42 Cb -0.10 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1wg7 s ARG 42 CO 0.40 -0.27 -0.16 0.50 -0.81 0.00 0.00 175.30 174.96 1wg7 s ARG 43 N 1.55 1.34 -0.15 5.12 6.06 0.39 -4.90 118.95 128.36 1wg7 s ARG 43 Ca 0.05 -1.54 -0.29 0.00 -2.50 0.00 0.00 55.73 51.46 1wg7 s ARG 43 Cb -0.16 -1.25 -0.01 0.00 0.06 0.00 0.00 34.95 33.60 1wg7 s ARG 43 CO 0.02 0.23 0.99 0.12 -2.50 0.00 0.00 175.30 174.15 1wg7 s PHE 44 N -2.60 3.45 -0.34 5.12 5.36 -0.80 0.17 117.98 128.33 1wg7 s PHE 44 Ca 0.21 1.51 -0.12 0.00 -0.96 0.00 0.00 56.93 57.56 1wg7 s PHE 44 Cb -0.03 -3.18 -0.01 0.00 -0.34 0.00 0.00 43.02 39.46 1wg7 s PHE 44 CO 0.07 -0.30 0.23 -0.06 -1.46 0.00 0.00 175.22 173.70 1wg7 s PHE 45 N 2.36 3.22 -0.13 10.12 0.40 -0.26 0.65 117.98 134.34 1wg7 s PHE 45 Ca 0.46 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.33 1wg7 s PHE 45 Cb -0.17 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 1wg7 s PHE 45 CO 0.14 -0.43 0.14 -1.58 0.70 0.00 0.00 175.22 174.20 1wg7 s HIS 46 N 1.68 3.57 -0.14 0.36 2.46 0.52 -3.66 115.29 120.09 1wg7 s HIS 46 Ca 0.05 0.51 -0.00 0.00 0.47 0.00 0.00 55.06 56.09 1wg7 s HIS 46 Cb -0.18 -1.98 -0.01 0.00 -0.13 0.00 0.00 32.58 30.28 1wg7 s HIS 46 CO 0.09 0.67 -0.14 -1.17 -2.47 0.00 0.00 174.74 171.73 1wg7 s LEU 47 N -0.83 2.65 0.03 8.88 1.98 -1.18 0.14 118.68 130.35 1wg7 s LEU 47 Ca 0.14 -0.37 -0.01 0.00 -2.89 0.00 0.00 54.13 51.01 1wg7 s LEU 47 Cb -0.12 -1.60 -0.02 0.00 0.66 0.00 0.00 46.19 45.11 1wg7 s LEU 47 CO 0.03 0.14 -0.02 -0.51 -1.89 0.00 0.00 176.35 174.10 1wg7 s ILE 48 N 0.48 0.14 -0.38 6.68 2.07 -0.85 -4.61 121.20 124.74 1wg7 s ILE 48 Ca -0.10 -1.14 -0.15 0.00 -1.41 0.00 0.00 60.65 57.86 1wg7 s ILE 48 Cb -0.16 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1wg7 s ILE 48 CO 0.04 -0.63 0.32 -1.58 -1.91 0.00 0.00 174.94 171.19 1wg7 s GLN 49 N -2.12 3.27 1.03 3.50 0.74 -1.26 -0.36 119.66 124.46 1wg7 s GLN 49 Ca -0.10 -0.74 -0.21 0.00 0.05 0.00 0.00 55.36 54.36 1wg7 s GLN 49 Cb -0.05 -3.89 -0.07 0.00 1.10 0.00 0.00 33.01 30.10 1wg7 s GLN 49 CO -0.03 -0.63 -0.70 1.28 -0.55 0.00 0.00 175.29 174.66 1wg7 n LEU 50 N 5.27 -3.05 -3.61 3.68 7.99 0.46 -4.72 117.00 123.02 1wg7 n LEU 50 Ca -0.10 0.04 -0.41 0.00 -0.01 0.00 0.00 56.01 55.53 1wg7 n LEU 50 Cb 0.48 -0.78 -0.01 0.00 -0.11 0.00 0.00 43.42 43.01 1wg7 n LEU 50 CO 0.40 -3.54 2.78 0.61 -1.51 0.00 0.00 177.39 176.14 1wg7 n GLY 51 N 2.81 4.47 0.88 -0.72 0.00 -1.26 -3.49 105.19 107.89 1wg7 n GLY 51 Ca -0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 52 N 4.80 -0.23 0.00 1.61 9.92 -1.26 -5.03 116.55 126.36 1wg7 n ASP 52 Ca 0.59 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1wg7 n ASP 52 Cb 0.33 0.44 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wg7 n GLY 53 N -1.22 1.09 3.46 0.44 0.00 -1.23 -5.15 105.19 102.59 1wg7 n GLY 53 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.58 0.06 1.61 1.04 -1.26 -4.74 113.70 110.99 1wg7 s SER 54 Ca 0.00 1.26 0.05 0.00 0.48 0.00 0.00 55.95 57.74 1wg7 s SER 54 Cb 0.00 -1.92 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 1wg7 s SER 54 CO 0.00 -4.41 -0.15 -0.31 0.98 0.00 0.00 173.24 169.35 1wg7 s TYR 55 N -2.50 1.25 -0.05 5.02 1.51 -1.26 -0.40 117.35 120.92 1wg7 s TYR 55 Ca 0.68 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.33 1wg7 s TYR 55 Cb -0.21 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1wg7 s TYR 55 CO 0.62 0.06 -0.04 -0.80 -1.11 0.00 0.00 175.55 174.28 1wg7 s ASN 56 N -1.54 1.10 -0.60 2.29 -0.87 0.51 -3.37 114.94 112.48 1wg7 s ASN 56 Ca -0.00 -0.13 -0.20 0.00 -1.57 0.00 0.00 52.86 50.96 1wg7 s ASN 56 Cb -0.09 -0.46 0.08 0.00 -0.02 0.00 0.00 41.25 40.76 1wg7 s ASN 56 CO 0.02 -0.08 0.78 -0.22 -2.57 0.00 0.00 177.10 175.03 1wg7 s LEU 57 N 1.12 4.96 -0.24 0.60 2.96 -1.21 -2.01 118.68 124.87 1wg7 s LEU 57 Ca -0.08 -1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 52.57 1wg7 s LEU 57 Cb -0.14 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1wg7 s LEU 57 CO -0.01 -1.19 0.12 0.20 -1.32 0.00 0.00 176.35 174.15 1wg7 s ASN 58 N 3.47 5.73 -0.11 3.68 0.01 0.38 -1.84 114.94 126.26 1wg7 s ASN 58 Ca 0.16 -0.00 -0.02 0.00 -0.71 0.00 0.00 52.86 52.28 1wg7 s ASN 58 Cb -0.21 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1wg7 s ASN 58 CO 0.09 0.04 -0.01 0.72 -1.51 0.00 0.00 177.10 176.43 1wg7 s PHE 59 N 1.18 3.12 0.31 2.20 -0.71 -1.05 0.20 117.98 123.23 1wg7 s PHE 59 Ca 0.06 0.07 0.09 0.00 -1.04 0.00 0.00 56.93 56.11 1wg7 s PHE 59 Cb -0.14 -1.84 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 1wg7 s PHE 59 CO 0.05 0.33 0.01 0.71 -1.34 0.00 0.00 175.22 174.97 1wg7 s TYR 60 N -0.52 2.59 0.34 3.49 1.51 0.21 -0.85 117.35 124.13 1wg7 s TYR 60 Ca 0.09 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1wg7 s TYR 60 Cb -0.12 -1.38 0.63 0.00 -0.11 0.00 0.00 41.96 40.98 1wg7 s TYR 60 CO 0.02 0.52 1.81 -0.22 -1.11 0.00 0.00 175.55 176.57 1wg7 h LYS 61 N 1.83 0.21 -5.02 -0.62 3.64 -1.92 -2.14 116.57 112.56 1wg7 h LYS 61 Ca -0.43 -0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.31 1wg7 h LYS 61 Cb 1.25 -0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.93 1wg7 h LYS 61 CO 0.64 0.48 -0.50 0.16 -2.27 0.00 0.00 179.45 177.96 1wg7 s ASP 62 N -6.88 2.82 0.21 4.20 1.47 -1.26 -4.56 116.67 112.66 1wg7 s ASP 62 Ca -0.05 -1.73 -0.02 0.00 1.18 0.00 0.00 52.55 51.93 1wg7 s ASP 62 Cb 0.14 0.59 0.18 0.00 -0.34 0.00 0.00 42.92 43.50 1wg7 s ASP 62 CO 0.75 -0.99 1.57 -0.33 0.68 0.00 0.00 175.17 176.85 1wg7 h GLU 63 N 1.76 0.59 -5.71 2.11 5.08 -1.95 -3.41 114.58 113.05 1wg7 h GLU 63 Ca -0.34 -0.31 -0.41 0.00 -1.00 0.00 0.00 59.36 57.31 1wg7 h GLU 63 Cb 1.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1wg7 h GLU 63 CO 0.53 0.90 1.29 0.15 -1.00 0.00 0.00 179.01 180.89 1wg7 s LYS 64 N -4.23 2.24 0.00 2.33 3.01 -1.26 -4.89 119.74 116.94 1wg7 s LYS 64 Ca -0.08 0.92 0.00 0.00 -1.01 0.00 0.00 55.97 55.80 1wg7 s LYS 64 Cb 0.12 -4.58 0.00 0.00 -1.01 0.00 0.00 37.83 32.36 1wg7 s LYS 64 CO 0.83 -3.25 0.00 0.44 0.51 0.00 0.00 175.35 173.88 1wg7 n ILE 65 N 7.83 0.00 0.00 2.17 -5.35 -1.26 -4.68 119.36 118.07 1wg7 n ILE 65 Ca 0.33 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 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 -3.15 7.28 2.88 -1.26 -4.88 113.62 114.50 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 -1.05 -2.48 -1.46 4.76 -1.26 -4.89 118.16 111.77 1wg7 n LYS 67 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1wg7 n LYS 67 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1wg7 n LYS 67 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg7 s GLU 68 N -2.22 4.35 0.91 1.97 2.02 -1.26 -5.02 118.70 119.45 1wg7 s GLU 68 Ca 0.00 1.64 -0.12 0.00 0.02 0.00 0.00 54.97 56.51 1wg7 s GLU 68 Cb 0.00 -3.57 0.14 0.00 0.10 0.00 0.00 34.13 30.80 1wg7 s GLU 68 CO 0.00 -0.45 1.14 -1.25 0.02 0.00 0.00 175.26 174.72 1wg7 s PRO 69 N 2.27 1.14 0.12 0.39 0.04 -1.26 -4.96 135.00 132.74 1wg7 s PRO 69 Ca 0.55 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1wg7 s PRO 69 Cb -0.24 -1.84 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 1wg7 s PRO 69 CO 0.21 -2.20 1.26 0.87 0.04 0.00 0.00 177.00 177.18 1wg7 h LYS 70 N -1.50 0.12 -1.91 4.56 1.79 -1.36 -3.49 116.57 114.79 1wg7 h LYS 70 Ca -0.50 -0.19 0.31 0.00 -2.18 0.00 0.00 60.65 58.09 1wg7 h LYS 70 Cb 1.33 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.97 1wg7 h LYS 70 CO 0.62 1.06 0.83 0.20 -1.08 0.00 0.00 179.45 181.08 1wg7 s GLY 71 N -4.65 -0.22 0.04 3.86 0.00 -1.24 -5.03 107.32 100.08 1wg7 s GLY 71 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.92 1wg7 s GLY 71 CO 0.84 2.99 0.06 -1.35 0.00 0.00 0.00 173.10 175.64 1wg7 s SER 72 N -3.42 0.26 -0.28 1.64 1.04 -1.26 -2.52 113.70 109.16 1wg7 s SER 72 Ca 0.22 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1wg7 s SER 72 Cb 0.01 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1wg7 s SER 72 CO -0.01 -0.53 0.00 -0.63 0.98 0.00 0.00 173.24 173.05 1wg7 s ILE 73 N -2.92 3.26 -1.05 -1.02 1.01 -0.76 -4.91 121.20 114.80 1wg7 s ILE 73 Ca -0.02 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 1wg7 s ILE 73 Cb 0.01 -2.72 -0.12 0.00 0.01 0.00 0.00 42.46 39.63 1wg7 s ILE 73 CO -0.06 0.07 1.93 0.49 0.00 0.00 0.00 174.94 177.37 1wg7 n PHE 74 N 4.72 2.38 -0.01 3.97 3.01 -1.26 -3.30 117.46 126.97 1wg7 n PHE 74 Ca -0.15 -1.48 0.23 0.00 1.01 0.00 0.00 57.45 57.06 1wg7 n PHE 74 Cb 0.46 -2.34 0.71 0.00 -0.01 0.00 0.00 39.48 38.31 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 16.91 0.00 -2.48 4.37 3.38 -1.91 1.48 115.31 137.06 1wg7 h LEU 75 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1wg7 h LEU 75 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1wg7 h LEU 75 CO 1.43 0.00 -0.02 -0.78 0.09 0.00 0.00 178.44 179.16 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.58 -1.84 -2.60 116.42 115.13 1wg7 h ASP 76 Ca 0.28 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.44 1wg7 h ASP 76 Cb 1.41 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.41 1wg7 h ASP 76 CO -0.00 0.02 -2.12 -1.20 -2.88 0.00 0.00 179.24 173.06 1wg7 n SER 77 N -3.51 1.89 -4.71 2.28 7.64 0.49 -4.96 113.62 112.73 1wg7 n SER 77 Ca -0.03 -0.06 -0.64 0.00 1.01 0.00 0.00 58.87 59.15 1wg7 n SER 77 Cb 0.12 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.41 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 6.04 0.27 0.00 0.00 0.00 -0.68 -3.46 114.93 117.11 1wg7 h MET 79 Ca -0.43 -0.47 0.00 0.00 0.00 0.00 0.00 59.70 58.80 1wg7 h MET 79 Cb 1.35 0.17 0.00 0.00 0.00 0.00 0.00 31.60 33.13 1wg7 h MET 79 CO 0.98 1.22 0.00 0.41 0.00 0.00 0.00 176.91 179.53 1wg7 n GLY 80 N 1.67 0.57 3.75 8.32 0.00 -1.21 -4.87 105.19 113.41 1wg7 n GLY 80 Ca -0.15 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 5.23 0.43 1.61 1.01 -1.26 -1.93 120.40 123.48 1wg7 s VAL 81 Ca 0.00 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1wg7 s VAL 81 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1wg7 s VAL 81 CO 0.00 0.41 0.59 0.68 0.00 0.00 0.00 175.10 176.78 1wg7 s VAL 82 N 0.21 3.14 -0.11 2.92 -7.23 0.13 -4.97 120.40 114.49 1wg7 s VAL 82 Ca 0.21 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1wg7 s VAL 82 Cb -0.14 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 1wg7 s VAL 82 CO 0.08 -0.04 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.69 1wg7 s GLN 83 N -4.40 3.20 0.00 4.82 -0.21 -1.26 -2.73 119.66 119.08 1wg7 s GLN 83 Ca 0.54 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1wg7 s GLN 83 Cb -0.10 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.15 1wg7 s GLN 83 CO 0.34 0.48 0.00 -1.71 -2.12 0.00 0.00 175.29 172.28 1wg7 n ASN 84 N 2.79 1.80 0.00 5.90 5.15 0.05 -4.84 115.26 126.11 1wg7 n ASN 84 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1wg7 n ASN 84 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1wg7 n ASN 84 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1wg7 n ASN 85 N 0.00 0.00 0.18 1.20 6.94 -1.24 -4.66 115.26 117.68 1wg7 n ASN 85 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.41 1wg7 n ASN 85 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1wg7 h LYS 86 N 0.00 -0.69 0.00 -3.83 1.79 -1.96 -3.21 116.57 108.68 1wg7 h LYS 86 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1wg7 h LYS 86 Cb 0.00 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1wg7 h LYS 86 CO 0.00 -0.46 0.00 0.28 -1.08 0.00 0.00 179.45 178.19 1wg7 n VAL 87 N -5.47 0.00 -4.49 0.50 0.31 -1.26 -4.89 118.33 103.03 1wg7 n VAL 87 Ca -0.09 1.41 -0.24 0.00 -0.01 0.00 0.00 64.34 65.41 1wg7 n VAL 87 Cb 0.38 -2.31 -0.09 0.00 -0.91 0.00 0.00 33.84 30.91 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wg7 s ARG 88 N -2.62 1.78 0.53 5.55 0.52 -1.21 -5.02 118.95 118.48 1wg7 s ARG 88 Ca 0.00 -2.04 0.32 0.00 -0.52 0.00 0.00 55.73 53.49 1wg7 s ARG 88 Cb 0.00 -0.78 1.34 0.00 0.52 0.00 0.00 34.95 36.04 1wg7 s ARG 88 CO 0.00 -0.32 1.98 0.00 0.02 0.00 0.00 175.30 176.99 1wg7 h ARG 89 N 1.95 0.00 -2.00 3.54 2.47 -1.91 -3.29 114.38 115.15 1wg7 h ARG 89 Ca -0.39 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.78 1wg7 h ARG 89 Cb 1.26 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.19 1wg7 h ARG 89 CO 0.64 0.06 -1.11 1.19 0.56 0.00 0.00 179.97 181.32 1wg7 n PHE 90 N -3.20 -0.30 -4.86 3.04 3.72 -1.26 -4.85 117.46 109.74 1wg7 n PHE 90 Ca 0.00 -3.57 -0.27 0.00 -0.05 0.00 0.00 57.45 53.56 1wg7 n PHE 90 Cb 0.31 -0.35 -0.16 0.00 -0.94 0.00 0.00 39.48 38.34 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 -1.23 1.58 -0.02 4.37 0.00 -1.25 -2.12 121.76 123.09 1wg7 s ALA 91 Ca 0.35 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1wg7 s ALA 91 Cb 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1wg7 s ALA 91 CO -0.11 0.27 -0.16 -0.59 0.00 0.00 0.00 175.76 175.18 1wg7 s PHE 92 N 0.11 1.42 -0.03 0.00 -0.71 0.15 -0.77 117.98 118.15 1wg7 s PHE 92 Ca -0.06 -0.28 -0.05 0.00 -1.04 0.00 0.00 56.93 55.49 1wg7 s PHE 92 Cb -0.12 -0.92 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1wg7 s PHE 92 CO 0.03 -0.04 0.21 -2.00 -1.34 0.00 0.00 175.22 172.08 1wg7 s GLU 93 N -0.31 3.50 -0.22 1.99 2.12 -1.10 -0.97 118.70 123.70 1wg7 s GLU 93 Ca 0.05 -0.18 -0.09 0.00 0.36 0.00 0.00 54.97 55.11 1wg7 s GLU 93 Cb -0.07 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 1wg7 s GLU 93 CO -0.00 0.69 0.12 -0.51 -0.54 0.00 0.00 175.26 175.01 1wg7 s LEU 94 N -1.66 3.97 -0.25 2.70 2.01 0.19 0.21 118.68 125.85 1wg7 s LEU 94 Ca 0.25 0.09 -0.11 0.00 0.01 0.00 0.00 54.13 54.36 1wg7 s LEU 94 Cb -0.13 -2.04 -0.05 0.00 0.01 0.00 0.00 46.19 43.98 1wg7 s LEU 94 CO 0.14 0.10 0.19 -0.54 1.01 0.00 0.00 176.35 177.26 1wg7 s LYS 95 N 0.82 4.04 0.44 1.70 -0.14 -0.81 -1.81 119.74 123.99 1wg7 s LYS 95 Ca 0.06 -0.24 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 1wg7 s LYS 95 Cb -0.13 -3.57 0.08 0.00 -1.68 0.00 0.00 37.83 32.53 1wg7 s LYS 95 CO 0.02 -0.02 0.61 -1.33 -0.76 0.00 0.00 175.35 173.87 1wg7 n MET 96 N 4.53 0.35 -0.02 1.68 2.81 0.53 -0.05 117.12 126.96 1wg7 n MET 96 Ca -0.14 -1.86 -0.06 0.00 -1.81 0.00 0.00 57.70 53.84 1wg7 n MET 96 Cb 0.52 -0.34 -0.02 0.00 -0.71 0.00 0.00 33.22 32.67 1wg7 n MET 96 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1wg7 n GLN 97 N -2.07 0.14 -1.20 0.03 7.27 -1.14 -4.43 117.38 115.97 1wg7 n GLN 97 Ca 0.11 0.06 -0.07 0.00 0.07 0.00 0.00 57.00 57.17 1wg7 n GLN 97 Cb 0.39 -0.74 0.13 0.00 2.41 0.00 0.00 30.24 32.42 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1wg7 n ASP 98 N -3.45 3.09 0.00 1.69 -0.08 -1.26 -4.94 116.55 111.59 1wg7 n ASP 98 Ca -0.10 -3.84 0.00 0.00 -1.51 0.00 0.00 54.79 49.34 1wg7 n ASP 98 Cb 0.44 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wg7 n LYS 99 N -0.95 0.00 0.00 -0.67 4.76 -1.26 -5.17 118.16 114.88 1wg7 n LYS 99 Ca 0.30 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1wg7 n LYS 99 Cb 0.81 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.00 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wg7 n SER 100 N 0.00 0.00 -3.64 4.39 2.88 -1.26 -4.98 113.62 111.02 1wg7 n SER 100 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1wg7 n SER 100 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg7 s SER 101 N 1.42 -0.90 0.23 -3.46 1.04 -1.25 -0.34 113.70 110.43 1wg7 s SER 101 Ca 0.00 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.83 1wg7 s SER 101 Cb 0.00 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.57 1wg7 s SER 101 CO 0.00 -0.22 0.43 -0.31 0.98 0.00 0.00 173.24 174.12 1wg7 s TYR 102 N 1.78 3.48 -0.49 5.02 2.02 -0.75 -4.73 117.35 123.68 1wg7 s TYR 102 Ca -0.09 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 1wg7 s TYR 102 Cb -0.06 -1.87 0.13 0.00 -0.40 0.00 0.00 41.96 39.76 1wg7 s TYR 102 CO -0.19 0.33 0.29 -1.17 -1.57 0.00 0.00 175.55 173.24 1wg7 s LEU 103 N -3.50 5.18 -0.00 -1.29 2.96 -0.81 0.53 118.68 121.75 1wg7 s LEU 103 Ca 0.39 -2.40 -0.07 0.00 -0.22 0.00 0.00 54.13 51.82 1wg7 s LEU 103 Cb -0.11 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1wg7 s LEU 103 CO 0.30 -0.45 0.27 -0.76 -1.32 0.00 0.00 176.35 174.39 1wg7 s LEU 104 N 0.59 4.38 -0.13 -0.68 1.43 -0.15 -1.92 118.68 122.21 1wg7 s LEU 104 Ca 0.12 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.74 1wg7 s LEU 104 Cb -0.22 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.43 1wg7 s LEU 104 CO -0.04 0.27 0.30 0.00 0.23 0.00 0.00 176.35 177.11 1wg7 s ALA 105 N -1.27 -0.72 0.45 4.21 0.00 -0.98 0.33 121.76 123.78 1wg7 s ALA 105 Ca 0.26 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.48 1wg7 s ALA 105 Cb -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1wg7 s ALA 105 CO 0.15 -0.27 0.59 0.00 0.00 0.00 0.00 175.76 176.24 1wg7 s ALA 106 N 1.42 4.53 0.04 0.00 0.00 -0.90 -1.45 121.76 125.40 1wg7 s ALA 106 Ca -0.08 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.14 1wg7 s ALA 106 Cb -0.10 -1.54 -0.24 0.00 0.00 0.00 0.00 23.12 21.24 1wg7 s ALA 106 CO -0.10 -0.39 0.98 0.22 0.00 0.00 0.00 175.76 176.48 1wg7 h ASP 107 N 0.59 0.17 -4.08 0.00 3.58 -1.86 -3.43 116.42 111.38 1wg7 h ASP 107 Ca -0.38 -0.23 -0.62 0.00 0.42 0.00 0.00 57.03 56.22 1wg7 h ASP 107 Cb 1.28 -0.06 -0.22 0.00 1.72 0.00 0.00 39.33 42.05 1wg7 h ASP 107 CO 0.45 1.19 -0.85 -0.44 -2.88 0.00 0.00 179.24 176.72 1wg7 s SER 108 N -6.71 2.89 0.31 2.28 0.01 -1.26 -4.98 113.70 106.24 1wg7 s SER 108 Ca -0.04 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.59 1wg7 s SER 108 Cb 0.08 -0.18 0.81 0.00 0.21 0.00 0.00 66.02 66.94 1wg7 s SER 108 CO 0.84 0.12 1.72 1.05 0.41 0.00 0.00 173.24 177.38 1wg7 h GLU 109 N 4.07 0.52 0.24 12.44 4.11 -1.91 -1.00 114.58 133.04 1wg7 h GLU 109 Ca -0.48 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 1wg7 h GLU 109 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1wg7 h GLU 109 CO 0.40 0.34 -0.28 -0.24 0.07 0.00 0.00 179.01 179.30 1wg7 h VAL 110 N 0.54 0.00 -0.26 -1.06 3.04 -1.97 1.39 116.25 117.92 1wg7 h VAL 110 Ca 0.60 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.37 1wg7 h VAL 110 Cb 1.12 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 1wg7 h VAL 110 CO -0.48 0.00 0.55 -0.33 -1.01 0.00 0.00 177.57 176.30 1wg7 h GLU 111 N -0.52 0.00 0.04 4.17 5.08 -1.69 1.69 114.58 123.35 1wg7 h GLU 111 Ca -0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1wg7 h GLU 111 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1wg7 h GLU 111 CO -0.05 0.00 -1.63 1.98 -1.00 0.00 0.00 179.01 178.31 1wg7 h MET 112 N 0.00 0.09 0.16 2.33 4.05 0.30 -3.33 114.93 118.54 1wg7 h MET 112 Ca 0.12 -0.16 -0.33 0.00 -0.28 0.00 0.00 59.70 59.06 1wg7 h MET 112 Cb 1.21 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1wg7 h MET 112 CO -0.00 0.80 -1.60 1.05 0.23 0.00 0.00 176.91 177.39 1wg7 h GLU 113 N 0.03 0.33 0.00 0.39 4.11 0.92 -3.17 114.58 117.18 1wg7 h GLU 113 Ca -0.26 -0.57 0.00 0.00 0.07 0.00 0.00 59.36 58.60 1wg7 h GLU 113 Cb 1.99 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.45 1wg7 h GLU 113 CO 0.10 1.22 -0.01 0.93 0.07 0.00 0.00 179.01 181.33 1wg7 h GLU 114 N 0.09 -0.01 -0.45 1.06 5.08 0.19 0.12 114.58 120.66 1wg7 h GLU 114 Ca -0.28 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1wg7 h GLU 114 Cb 2.06 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.22 1wg7 h GLU 114 CO 0.18 -0.01 -0.29 -1.49 -1.00 0.00 0.00 179.01 176.41 1wg7 h TRP 115 N -0.01 -0.77 -1.13 4.33 4.06 -1.75 0.89 115.95 121.57 1wg7 h TRP 115 Ca 0.00 0.06 0.41 0.00 2.06 0.00 0.00 58.89 61.42 1wg7 h TRP 115 Cb 0.01 0.40 -0.16 0.00 -1.00 0.00 0.00 29.16 28.42 1wg7 h TRP 115 CO -0.35 -0.35 0.67 0.82 -3.56 0.00 0.00 178.44 175.67 1wg7 h ILE 116 N -0.19 0.09 0.15 1.49 2.04 -1.41 1.42 117.51 121.09 1wg7 h ILE 116 Ca 0.20 -0.03 -0.22 0.00 1.00 0.00 0.00 64.86 65.80 1wg7 h ILE 116 Cb 0.51 -0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1wg7 h ILE 116 CO -0.56 0.02 -1.04 0.74 0.00 0.00 0.00 178.15 177.31 1wg7 h THR 117 N 0.08 1.37 0.85 -0.27 2.02 0.32 -2.46 112.91 114.82 1wg7 h THR 117 Ca 0.83 -2.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.44 1wg7 h THR 117 Cb 2.30 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 71.78 1wg7 h THR 117 CO -0.61 0.72 -0.45 0.40 0.37 0.00 0.00 175.52 175.95 1wg7 h ILE 118 N -0.30 0.00 -0.86 3.11 5.03 0.60 1.42 117.51 126.50 1wg7 h ILE 118 Ca -0.20 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.66 1wg7 h ILE 118 Cb 1.73 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 35.44 1wg7 h ILE 118 CO 0.14 0.00 0.49 -0.07 -0.68 0.00 0.00 178.15 178.03 1wg7 h LEU 119 N -1.19 0.66 -1.13 1.44 3.38 0.13 0.35 115.31 118.94 1wg7 h LEU 119 Ca -0.12 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1wg7 h LEU 119 Cb 0.93 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wg7 h LEU 119 CO 0.16 0.34 -0.21 0.78 0.09 0.00 0.00 178.44 179.60 1wg7 h ASN 120 N 0.76 0.35 0.90 -0.43 2.35 -1.07 0.31 115.58 118.74 1wg7 h ASN 120 Ca 0.44 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1wg7 h ASN 120 Cb 0.50 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1wg7 h ASN 120 CO -0.30 0.57 -0.43 0.50 -1.65 0.00 0.00 177.43 176.12 1wg7 h LYS 121 N 0.32 -1.16 -0.18 0.81 1.63 0.59 0.82 116.57 119.41 1wg7 h LYS 121 Ca 0.05 0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1wg7 h LYS 121 Cb 0.55 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1wg7 h LYS 121 CO 0.04 -0.77 -0.03 0.82 -3.45 0.00 0.00 179.45 176.06 1wg7 h ILE 122 N -1.21 1.13 0.08 2.00 5.03 -1.14 0.72 117.51 124.12 1wg7 h ILE 122 Ca -0.12 -0.53 -0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1wg7 h ILE 122 Cb 0.92 1.03 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1wg7 h ILE 122 CO 0.20 0.17 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.74 1wg7 h LEU 123 N 0.26 -0.09 -0.59 1.44 4.07 -0.03 1.39 115.31 121.75 1wg7 h LEU 123 Ca 0.06 -0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.71 1wg7 h LEU 123 Cb 0.22 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1wg7 h LEU 123 CO 0.01 0.11 -0.49 1.56 -1.08 0.00 0.00 178.44 178.54 1wg7 h GLN 124 N -0.29 0.54 -0.11 1.13 4.20 0.12 -2.87 115.11 117.82 1wg7 h GLN 124 Ca -0.01 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 1wg7 h GLN 124 Cb 0.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wg7 h GLN 124 CO 0.02 0.91 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.47 1wg7 h LEU 125 N 0.42 0.36 -1.51 1.46 4.07 0.60 -2.73 115.31 117.99 1wg7 h LEU 125 Ca 0.02 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.80 1wg7 h LEU 125 Cb 1.02 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 1wg7 h LEU 125 CO 0.09 0.84 0.35 0.78 -1.08 0.00 0.00 178.44 179.43 1wg7 h ASN 126 N 0.25 0.57 -0.44 -0.43 2.35 0.21 0.89 115.58 118.98 1wg7 h ASN 126 Ca 0.00 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1wg7 h ASN 126 Cb 1.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1wg7 h ASN 126 CO 0.09 0.40 -0.18 0.15 -1.65 0.00 0.00 177.43 176.24 1wg7 h PHE 127 N 0.66 1.07 0.00 1.19 3.04 -1.32 -2.40 116.94 119.17 1wg7 h PHE 127 Ca 0.20 -0.24 -0.11 0.00 3.98 0.00 0.00 57.97 61.80 1wg7 h PHE 127 Cb 0.00 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 1wg7 h PHE 127 CO -0.00 1.04 -0.60 0.93 -2.02 0.00 0.00 178.31 177.66 1wg7 h GLU 128 N 0.82 0.00 0.00 1.11 5.08 -1.13 -3.09 114.58 117.37 1wg7 h GLU 128 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1wg7 h GLU 128 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1wg7 h GLU 128 CO 0.06 0.51 -0.21 0.00 -1.00 0.00 0.00 179.01 178.37 1wg7 h ALA 129 N 1.47 1.10 0.07 3.43 0.00 0.10 -0.15 119.26 125.28 1wg7 h ALA 129 Ca -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1wg7 h ALA 129 Cb 1.42 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1wg7 h ALA 129 CO 0.07 0.26 -0.46 0.00 0.00 0.00 0.00 179.25 179.12 1wg7 h ALA 130 N 1.79 -0.03 0.00 0.00 0.00 -1.37 -2.07 119.26 117.57 1wg7 h ALA 130 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1wg7 h ALA 130 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wg7 h ALA 130 CO 0.03 0.21 -0.24 0.52 0.00 0.00 0.00 179.25 179.77 1wg7 h MET 131 N -0.57 0.00 0.00 0.00 2.07 -1.44 0.51 114.93 115.51 1wg7 h MET 131 Ca -0.08 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.46 1wg7 h MET 131 Cb 1.32 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 31.06 1wg7 h MET 131 CO 0.09 0.24 -0.38 -0.56 1.07 0.00 0.00 176.91 177.37 1wg7 h GLN 132 N 0.00 0.25 -0.01 1.72 3.07 -1.08 -3.24 115.11 115.82 1wg7 h GLN 132 Ca -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 58.65 58.40 1wg7 h GLN 132 Cb 0.47 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1wg7 h GLN 132 CO 0.03 0.99 -0.32 0.93 0.09 0.00 0.00 178.83 180.55 1wg7 h GLU 133 N -0.38 0.02 -0.49 0.06 4.39 -1.15 -2.88 114.58 114.15 1wg7 h GLU 133 Ca -0.05 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.75 1wg7 h GLU 133 Cb 1.12 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.68 1wg7 h GLU 133 CO 0.07 0.34 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.90 1wg7 h LYS 134 N 0.02 -0.02 -2.25 2.33 3.64 -0.92 1.18 116.57 120.55 1wg7 h LYS 134 Ca -0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1wg7 h LYS 134 Cb 0.57 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 1wg7 h LYS 134 CO 0.04 -0.01 0.74 0.54 -2.27 0.00 0.00 179.45 178.49 1wg7 n ARG 135 N -5.37 2.49 0.05 1.90 3.00 -1.09 -3.73 116.66 113.91 1wg7 n ARG 135 Ca 0.04 -1.42 0.00 0.00 -0.01 0.00 0.00 57.85 56.46 1wg7 n ARG 135 Cb 0.27 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.52 1wg7 n ARG 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wg7 n ASN 136 N 2.64 -0.82 0.00 0.55 5.15 -0.35 -5.06 115.26 117.36 1wg7 n ASN 136 Ca 0.52 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 1wg7 n ASN 136 Cb 0.72 1.13 0.00 0.00 -0.53 0.00 0.00 39.78 41.10 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg7 n GLY 137 N -1.10 3.85 1.31 8.20 0.00 0.39 -5.12 105.19 112.72 1wg7 n GLY 137 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -7.09 -4.68 1.61 -0.08 -1.26 -3.64 116.55 101.41 1wg7 n ASP 138 Ca 0.00 0.98 -0.42 0.00 -1.51 0.00 0.00 54.79 53.84 1wg7 n ASP 138 Cb 0.00 -4.29 -0.03 0.00 2.34 0.00 0.00 41.12 39.15 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1wg7 s SER 139 N -6.65 6.56 0.58 1.67 0.15 -1.26 -4.82 113.70 109.92 1wg7 s SER 139 Ca 0.00 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 59.07 1wg7 s SER 139 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1wg7 s SER 139 CO 0.00 -0.93 0.97 -1.38 1.20 0.00 0.00 173.24 173.10 1wg7 s HIS 140 N 2.99 3.59 0.46 3.44 -3.43 -1.26 -4.84 115.29 116.24 1wg7 s HIS 140 Ca 0.77 1.22 0.08 0.00 -0.80 0.00 0.00 55.06 56.33 1wg7 s HIS 140 Cb -0.40 -2.64 0.03 0.00 -1.43 0.00 0.00 32.58 28.13 1wg7 s HIS 140 CO 0.34 -0.56 0.61 -1.83 -2.00 0.00 0.00 174.74 171.30 1wg7 s GLU 141 N -4.93 2.69 0.19 -0.38 -1.05 -1.26 -5.00 118.70 108.96 1wg7 s GLU 141 Ca 0.54 -1.36 -0.23 0.00 -0.15 0.00 0.00 54.97 53.78 1wg7 s GLU 141 Cb -0.11 -2.71 0.11 0.00 -0.44 0.00 0.00 34.13 30.98 1wg7 s GLU 141 CO 0.49 -0.41 1.56 -0.44 0.95 0.00 0.00 175.26 177.41 1wg7 h ASP 142 N 0.55 -1.49 0.00 0.83 3.32 -2.07 -3.45 116.42 114.11 1wg7 h ASP 142 Ca -0.38 0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1wg7 h ASP 142 Cb 1.28 0.72 0.00 0.00 0.22 0.00 0.00 39.33 41.55 1wg7 h ASP 142 CO 0.45 -0.30 0.00 -0.67 -1.72 0.00 0.00 179.24 177.00 1wg7 n ASP 143 N -5.42 0.00 -3.55 6.45 2.03 -1.26 -5.13 116.55 109.67 1wg7 n ASP 143 Ca 0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 1wg7 n ASP 143 Cb 0.36 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.61 1wg7 n ASP 143 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1wg7 s GLU 144 N -2.00 0.36 1.18 -0.67 2.12 -1.26 -5.14 118.70 113.29 1wg7 s GLU 144 Ca 0.00 -0.80 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 1wg7 s GLU 144 Cb 0.00 -1.33 0.29 0.00 0.26 0.00 0.00 34.13 33.35 1wg7 s GLU 144 CO 0.00 -1.06 1.02 0.45 -0.54 0.00 0.00 175.26 175.14 1wg7 s SER 145 N 1.78 0.90 0.00 -1.70 0.15 -1.26 -4.05 113.70 109.52 1wg7 s SER 145 Ca 0.11 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1wg7 s SER 145 Cb -0.18 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wg7 s SER 145 CO -0.27 -4.23 0.00 0.61 1.20 0.00 0.00 173.24 170.55 1wg7 n GLY 146 N 0.63 3.23 3.80 9.45 0.00 -1.26 -4.55 105.19 116.49 1wg7 n GLY 146 Ca 0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 3.67 1.01 1.61 0.04 -1.24 -3.89 135.00 134.19 1wg7 s PRO 147 Ca 0.00 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 1wg7 s PRO 147 Cb 0.00 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1wg7 s PRO 147 CO 0.00 -0.53 -0.36 0.43 0.04 0.00 0.00 177.00 176.58 1wg7 n SER 148 N -1.31 -3.53 0.08 6.66 7.64 -1.26 -4.43 113.62 117.48 1wg7 n SER 148 Ca 0.09 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1wg7 n SER 148 Cb 0.53 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1wg7 n SER 148 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wg7 n SER 149 N 0.87 0.44 0.00 6.43 3.41 -1.26 -4.37 113.62 119.14 1wg7 n SER 149 Ca 0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1wg7 n SER 149 Cb 0.59 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49