#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 -0.05 -0.03 1.61 0.15 -1.26 -5.10 113.70 109.02 1wg7 s SER 2 Ca 0.00 -1.00 -0.08 0.00 0.70 0.00 0.00 55.95 55.57 1wg7 s SER 2 Cb 0.00 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1wg7 s SER 2 CO 0.00 -1.10 -0.16 -1.54 1.20 0.00 0.00 173.24 171.64 1wg7 n SER 3 N -0.38 1.44 0.00 5.45 3.41 -1.26 -5.15 113.62 117.14 1wg7 n SER 3 Ca -0.01 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wg7 n SER 3 Cb 0.62 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg7 n GLY 4 N 2.56 -0.65 3.51 5.00 0.00 -1.26 -5.13 105.19 109.21 1wg7 n GLY 4 Ca -0.08 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.46 -0.10 1.61 0.15 -1.26 -5.18 113.70 107.46 1wg7 s SER 5 Ca 0.00 0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 1wg7 s SER 5 Cb 0.00 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.85 1wg7 s SER 5 CO 0.00 -0.62 0.90 -0.44 1.20 0.00 0.00 173.24 174.28 1wg7 s SER 6 N -1.98 -0.44 -0.48 5.45 0.01 -1.26 -5.09 113.70 109.91 1wg7 s SER 6 Ca -0.00 0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.73 1wg7 s SER 6 Cb -0.01 0.38 0.18 0.00 0.21 0.00 0.00 66.02 66.79 1wg7 s SER 6 CO -0.04 -0.46 0.65 -0.83 0.41 0.00 0.00 173.24 172.97 1wg7 s GLY 7 N -1.37 -0.95 0.23 3.44 0.00 -1.26 -5.15 107.32 102.26 1wg7 s GLY 7 Ca -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 1wg7 s GLY 7 CO 0.02 3.46 0.23 0.00 0.00 0.00 0.00 173.10 176.80 1wg7 s ALA 8 N 1.01 0.92 0.56 3.20 0.00 -1.26 -5.15 121.76 121.04 1wg7 s ALA 8 Ca 0.27 -1.56 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 1wg7 s ALA 8 Cb -0.01 1.32 -0.05 0.00 0.00 0.00 0.00 23.12 24.38 1wg7 s ALA 8 CO -0.07 -0.66 1.07 0.00 0.00 0.00 0.00 175.76 176.11 1wg7 s ALA 9 N -4.02 2.74 -1.10 0.00 0.00 -1.26 -4.89 121.76 113.22 1wg7 s ALA 9 Ca 0.35 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1wg7 s ALA 9 Cb 0.05 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1wg7 s ALA 9 CO 0.13 -0.71 2.07 0.43 0.00 0.00 0.00 175.76 177.69 1wg7 n SER 10 N -1.62 3.18 -4.50 0.00 7.64 -1.26 -4.86 113.62 112.20 1wg7 n SER 10 Ca 0.10 -2.76 -0.25 0.00 1.01 0.00 0.00 58.87 56.97 1wg7 n SER 10 Cb 0.52 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.24 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wg7 s LEU 11 N 1.66 2.66 0.00 -3.43 1.43 -1.26 -5.07 118.68 114.66 1wg7 s LEU 11 Ca 0.52 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1wg7 s LEU 11 Cb 0.14 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1wg7 s LEU 11 CO 0.02 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1wg7 n GLY 12 N -0.71 0.52 3.37 -3.19 0.00 -1.26 -4.72 105.19 99.21 1wg7 n GLY 12 Ca -0.05 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 1wg7 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 13 N -4.00 1.17 1.01 1.61 0.15 -1.26 -5.12 113.70 107.26 1wg7 s SER 13 Ca 0.00 -1.59 -0.13 0.00 0.70 0.00 0.00 55.95 54.93 1wg7 s SER 13 Cb 0.00 0.59 0.11 0.00 -1.71 0.00 0.00 66.02 65.01 1wg7 s SER 13 CO 0.00 -1.15 0.55 0.00 1.20 0.00 0.00 173.24 173.84 1wg7 n GLN 14 N -0.56 -0.92 -3.47 5.44 3.00 -1.26 -4.96 117.38 114.66 1wg7 n GLN 14 Ca 0.04 -0.23 -0.37 0.00 -0.01 0.00 0.00 57.00 56.43 1wg7 n GLN 14 Cb 0.62 -1.97 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 1wg7 n GLN 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1wg7 s LYS 15 N -3.90 4.22 0.00 -1.09 2.20 -1.26 -4.95 119.74 114.95 1wg7 s LYS 15 Ca 0.60 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1wg7 s LYS 15 Cb -0.20 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1wg7 s LYS 15 CO 0.65 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 176.34 1wg7 n GLY 16 N 3.09 1.55 3.25 5.54 0.00 -1.26 -5.16 105.19 112.19 1wg7 n GLY 16 Ca -0.11 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1wg7 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wg7 s GLY 17 N 0.00 -0.30 0.15 -0.02 0.00 -1.26 -5.16 107.32 100.74 1wg7 s GLY 17 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.11 1wg7 s GLY 17 CO 0.00 1.51 0.00 1.39 0.00 0.00 0.00 173.10 176.00 1wg7 n ILE 18 N 4.03 0.00 0.00 0.90 5.41 -1.26 -5.16 119.36 123.28 1wg7 n ILE 18 Ca -0.22 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 62.80 1wg7 n ILE 18 Cb 0.55 0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.63 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 -0.38 0.00 0.00 1.39 5.66 -1.26 -4.94 114.28 114.75 1wg7 n THR 19 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1wg7 n THR 19 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -3.75 1.09 4.81 -1.26 -5.05 118.16 113.50 1wg7 n LYS 20 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1wg7 n LYS 20 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1wg7 n LYS 20 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wg7 s HIS 21 N -1.45 -0.30 0.00 5.64 2.46 -1.26 -2.81 115.29 117.57 1wg7 s HIS 21 Ca 0.00 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.16 1wg7 s HIS 21 Cb 0.00 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.58 1wg7 s HIS 21 CO 0.00 -0.31 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 1wg7 n GLY 22 N 2.01 -0.02 3.44 1.59 0.00 -1.20 -5.00 105.19 106.02 1wg7 n GLY 22 Ca -0.17 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 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 3.13 0.42 1.61 0.52 -1.26 -0.21 118.94 121.15 1wg7 s TRP 23 Ca 0.00 -0.60 0.06 0.00 0.02 0.00 0.00 56.10 55.58 1wg7 s TRP 23 Cb 0.00 -3.27 0.06 0.00 -1.15 0.00 0.00 33.47 29.11 1wg7 s TRP 23 CO 0.00 -0.88 0.50 1.28 0.02 0.00 0.00 176.95 177.87 1wg7 n LEU 24 N 5.76 0.00 -3.87 2.99 4.77 0.29 -4.65 117.00 122.29 1wg7 n LEU 24 Ca -0.08 -1.91 -0.30 0.00 -0.03 0.00 0.00 56.01 53.69 1wg7 n LEU 24 Cb 0.45 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1wg7 n LEU 24 CO 0.50 -0.61 -0.26 -0.31 -1.33 0.00 0.00 177.39 175.38 1wg7 s TYR 25 N -1.74 2.79 0.57 -1.77 1.51 0.32 -0.19 117.35 118.83 1wg7 s TYR 25 Ca 0.38 -2.71 -0.15 0.00 -1.01 0.00 0.00 57.07 53.57 1wg7 s TYR 25 Cb -0.03 -2.43 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 1wg7 s TYR 25 CO 0.24 -0.83 1.02 0.21 -1.11 0.00 0.00 175.55 175.08 1wg7 s LYS 26 N 0.48 3.63 0.00 -0.62 2.20 -1.19 -1.87 119.74 122.36 1wg7 s LYS 26 Ca 0.14 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1wg7 s LYS 26 Cb -0.22 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1wg7 s LYS 26 CO -0.06 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1wg7 n GLY 27 N -1.54 -1.20 3.14 5.54 0.00 0.27 -3.85 105.19 107.54 1wg7 n GLY 27 Ca 0.07 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wg7 s ASN 28 N -2.34 2.44 0.97 1.61 4.22 -1.26 -0.79 114.94 119.79 1wg7 s ASN 28 Ca 0.00 -0.42 -0.12 0.00 -2.14 0.00 0.00 52.86 50.18 1wg7 s ASN 28 Cb 0.00 -0.94 0.17 0.00 1.28 0.00 0.00 41.25 41.76 1wg7 s ASN 28 CO 0.00 0.13 1.09 -0.04 -2.04 0.00 0.00 177.10 176.24 1wg7 s MET 29 N 0.29 0.64 0.00 3.55 -1.94 -1.26 -4.31 119.30 116.27 1wg7 s MET 29 Ca -0.12 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 1wg7 s MET 29 Cb -0.15 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 34.94 1wg7 s MET 29 CO 0.05 -2.62 0.00 -1.71 -0.01 0.00 0.00 175.02 170.73 1wg7 n ASN 30 N -4.12 0.00 -0.22 3.03 5.15 -1.26 -4.67 115.26 113.16 1wg7 n ASN 30 Ca 0.06 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.97 1wg7 n ASN 30 Cb 0.56 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.24 -1.53 1.20 0.02 -1.97 -3.27 113.55 106.75 1wg7 h SER 31 Ca 0.00 0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 60.55 1wg7 h SER 31 Cb 0.00 0.54 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1wg7 h SER 31 CO 0.00 -0.15 1.51 0.00 -1.14 0.00 0.00 176.83 177.05 1wg7 n ALA 32 N -3.11 1.31 -0.15 3.77 0.00 -1.26 -4.76 120.51 116.30 1wg7 n ALA 32 Ca 0.01 -0.33 0.26 0.00 0.00 0.00 0.00 53.44 53.38 1wg7 n ALA 32 Cb 0.16 -2.83 0.71 0.00 0.00 0.00 0.00 19.45 17.48 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 7.29 0.60 -0.14 0.00 -0.00 -1.97 1.17 117.51 124.45 1wg7 h ILE 33 Ca -0.32 -0.01 -0.03 0.00 -0.00 0.00 0.00 64.86 64.50 1wg7 h ILE 33 Cb 1.27 0.57 -0.01 0.00 -0.00 0.00 0.00 36.82 38.66 1wg7 h ILE 33 CO 1.04 0.00 -0.07 -1.28 -0.00 0.00 0.00 178.15 177.84 1wg7 h SER 34 N 0.02 0.19 0.04 2.19 0.87 -1.89 -2.38 113.55 112.58 1wg7 h SER 34 Ca 0.39 -0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.57 1wg7 h SER 34 Cb 1.54 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1wg7 h SER 34 CO -0.01 0.29 -2.03 0.52 -0.53 0.00 0.00 176.83 175.07 1wg7 n VAL 35 N -4.34 1.61 -0.34 2.23 0.31 0.33 -3.84 118.33 114.27 1wg7 n VAL 35 Ca -0.01 -0.42 -0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1wg7 n VAL 35 Cb 0.21 -1.77 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg7 h THR 36 N -0.43 0.04 -0.34 2.52 1.03 0.75 0.38 112.91 116.86 1wg7 h THR 36 Ca -0.50 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1wg7 h THR 36 Cb 1.74 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 1wg7 h THR 36 CO -0.13 0.00 0.20 0.24 -0.01 0.00 0.00 175.52 175.82 1wg7 h MET 37 N -0.03 0.46 -6.41 0.00 2.86 -1.63 -3.37 114.93 106.82 1wg7 h MET 37 Ca 0.35 -0.04 -0.41 0.00 -2.06 0.00 0.00 59.70 57.54 1wg7 h MET 37 Cb 0.61 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.19 1wg7 h MET 37 CO -0.93 0.35 -0.85 0.54 1.06 0.00 0.00 176.91 177.08 1wg7 n ARG 38 N -4.81 -1.20 -4.12 1.72 5.12 0.13 -1.61 116.66 111.89 1wg7 n ARG 38 Ca -0.01 0.69 -0.41 0.00 -1.93 0.00 0.00 57.85 56.20 1wg7 n ARG 38 Cb 0.05 -3.40 -0.01 0.00 -1.16 0.00 0.00 32.46 27.94 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 -2.41 -2.55 -3.53 0.55 7.64 -1.26 -4.45 113.62 107.61 1wg7 n SER 39 Ca -0.17 -1.24 -0.39 0.00 1.01 0.00 0.00 58.87 58.08 1wg7 n SER 39 Cb 0.61 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 62.20 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 -4.75 0.63 -2.87 1.43 3.72 -0.63 -4.87 117.46 110.12 1wg7 n PHE 40 Ca -0.16 0.42 -0.24 0.00 -0.05 0.00 0.00 57.45 57.42 1wg7 n PHE 40 Cb 0.57 -1.88 0.01 0.00 -0.94 0.00 0.00 39.48 37.24 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1wg7 s LYS 41 N 6.30 3.07 -0.07 -1.08 2.47 -1.25 -5.01 119.74 124.16 1wg7 s LYS 41 Ca 1.04 -0.36 0.03 0.00 -1.56 0.00 0.00 55.97 55.11 1wg7 s LYS 41 Cb -1.08 -2.50 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1wg7 s LYS 41 CO 0.44 -0.33 -0.15 0.50 0.16 0.00 0.00 175.35 175.97 1wg7 s ARG 42 N -4.64 2.78 0.16 4.03 3.52 -1.26 -3.17 118.95 120.37 1wg7 s ARG 42 Ca 0.49 -0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 55.26 1wg7 s ARG 42 Cb -0.10 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1wg7 s ARG 42 CO 0.39 0.47 0.31 0.50 -0.81 0.00 0.00 175.30 176.16 1wg7 s ARG 43 N -0.32 1.15 -0.10 5.12 6.06 0.73 -4.96 118.95 126.62 1wg7 s ARG 43 Ca 0.03 -1.07 -0.19 0.00 -2.50 0.00 0.00 55.73 51.99 1wg7 s ARG 43 Cb -0.13 0.40 -0.04 0.00 0.06 0.00 0.00 34.95 35.24 1wg7 s ARG 43 CO 0.02 -0.43 0.52 0.12 -2.50 0.00 0.00 175.30 173.04 1wg7 s PHE 44 N -3.93 3.53 -0.25 5.12 5.36 -1.02 0.10 117.98 126.90 1wg7 s PHE 44 Ca 0.14 0.96 -0.07 0.00 -0.96 0.00 0.00 56.93 57.00 1wg7 s PHE 44 Cb 0.03 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 1wg7 s PHE 44 CO -0.02 0.17 0.05 -0.06 -1.46 0.00 0.00 175.22 173.90 1wg7 s PHE 45 N 0.60 3.07 -0.05 10.12 0.40 0.71 0.15 117.98 132.97 1wg7 s PHE 45 Ca 0.28 -0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1wg7 s PHE 45 Cb -0.16 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1wg7 s PHE 45 CO 0.12 -0.41 0.14 -1.58 0.70 0.00 0.00 175.22 174.19 1wg7 s HIS 46 N 1.58 3.51 -0.14 0.36 2.46 0.51 -3.23 115.29 120.34 1wg7 s HIS 46 Ca 0.06 0.39 0.01 0.00 0.47 0.00 0.00 55.06 55.99 1wg7 s HIS 46 Cb -0.15 -1.85 -0.00 0.00 -0.13 0.00 0.00 32.58 30.44 1wg7 s HIS 46 CO 0.02 0.66 -0.18 -1.17 -2.47 0.00 0.00 174.74 171.61 1wg7 s LEU 47 N -1.53 2.38 0.01 8.88 2.96 -1.12 0.58 118.68 130.83 1wg7 s LEU 47 Ca 0.22 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1wg7 s LEU 47 Cb -0.12 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1wg7 s LEU 47 CO 0.12 0.11 0.05 -0.51 -1.32 0.00 0.00 176.35 174.80 1wg7 s ILE 48 N 0.65 0.09 -0.26 6.68 2.07 -0.92 -4.67 121.20 124.84 1wg7 s ILE 48 Ca -0.09 -0.72 -0.14 0.00 -1.41 0.00 0.00 60.65 58.29 1wg7 s ILE 48 Cb -0.16 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1wg7 s ILE 48 CO 0.02 -0.40 0.34 -1.58 -1.91 0.00 0.00 174.94 171.42 1wg7 s GLN 49 N -1.26 4.04 1.16 3.50 0.74 -1.26 -0.20 119.66 126.38 1wg7 s GLN 49 Ca -0.14 0.00 -0.15 0.00 0.05 0.00 0.00 55.36 55.13 1wg7 s GLN 49 Cb -0.08 -3.63 0.24 0.00 1.10 0.00 0.00 33.01 30.64 1wg7 s GLN 49 CO 0.00 -0.20 0.70 1.28 -0.55 0.00 0.00 175.29 176.52 1wg7 n LEU 50 N 5.08 -1.76 -3.43 3.68 7.99 0.12 -4.80 117.00 123.87 1wg7 n LEU 50 Ca -0.10 -0.16 -0.40 0.00 -0.01 0.00 0.00 56.01 55.35 1wg7 n LEU 50 Cb 0.51 -1.17 -0.02 0.00 -0.11 0.00 0.00 43.42 42.63 1wg7 n LEU 50 CO 0.37 -3.25 3.11 0.61 -1.51 0.00 0.00 177.39 176.71 1wg7 n GLY 51 N 1.34 4.42 1.00 -0.72 0.00 -1.26 -3.35 105.19 106.61 1wg7 n GLY 51 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 3.85 0.00 0.00 1.61 -0.08 -1.26 -5.04 116.55 115.63 1wg7 n ASP 52 Ca 0.70 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 1wg7 n ASP 52 Cb 0.27 0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -1.31 1.67 3.67 0.27 0.00 -1.21 -5.14 105.19 103.14 1wg7 n GLY 53 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1wg7 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 s SER 54 N 0.00 3.00 0.09 1.61 0.01 -1.26 -4.72 113.70 112.43 1wg7 s SER 54 Ca 0.00 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.22 1wg7 s SER 54 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1wg7 s SER 54 CO 0.00 -3.00 -0.22 -0.31 0.41 0.00 0.00 173.24 170.12 1wg7 s TYR 55 N -2.72 2.43 -0.08 2.43 1.51 -1.26 0.10 117.35 119.76 1wg7 s TYR 55 Ca 0.65 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1wg7 s TYR 55 Cb -0.21 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1wg7 s TYR 55 CO 0.59 0.29 -0.10 -0.80 -1.11 0.00 0.00 175.55 174.42 1wg7 s ASN 56 N -1.78 1.88 -0.60 2.29 -0.87 0.72 -3.89 114.94 112.69 1wg7 s ASN 56 Ca 0.15 -0.29 -0.20 0.00 -1.57 0.00 0.00 52.86 50.94 1wg7 s ASN 56 Cb -0.10 -0.81 0.08 0.00 -0.02 0.00 0.00 41.25 40.40 1wg7 s ASN 56 CO 0.06 -0.03 0.79 -0.22 -2.57 0.00 0.00 177.10 175.13 1wg7 s LEU 57 N 1.09 4.94 -0.23 0.60 2.96 -1.22 -2.17 118.68 124.65 1wg7 s LEU 57 Ca -0.07 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 52.59 1wg7 s LEU 57 Cb -0.14 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1wg7 s LEU 57 CO -0.01 -1.21 0.10 0.20 -1.32 0.00 0.00 176.35 174.11 1wg7 s ASN 58 N 3.51 5.55 -0.05 3.68 0.01 0.20 -0.95 114.94 126.89 1wg7 s ASN 58 Ca 0.16 -0.05 -0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1wg7 s ASN 58 Cb -0.21 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 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 3.10 0.46 2.20 -0.71 -1.24 0.19 117.98 123.16 1wg7 s PHE 59 Ca 0.05 0.13 0.04 0.00 -1.04 0.00 0.00 56.93 56.11 1wg7 s PHE 59 Cb -0.14 -1.73 -0.04 0.00 -1.21 0.00 0.00 43.02 39.90 1wg7 s PHE 59 CO 0.04 0.45 0.03 0.71 -1.34 0.00 0.00 175.22 175.12 1wg7 s TYR 60 N -0.97 2.20 0.15 3.49 1.51 0.12 -1.50 117.35 122.34 1wg7 s TYR 60 Ca 0.16 -0.80 -0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1wg7 s TYR 60 Cb -0.11 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1wg7 s TYR 60 CO 0.06 0.30 1.34 1.57 -1.11 0.00 0.00 175.55 177.71 1wg7 h LYS 61 N 1.52 0.27 -5.01 -0.62 2.10 -1.92 -2.70 116.57 110.21 1wg7 h LYS 61 Ca -0.44 -0.30 -0.38 0.00 -2.00 0.00 0.00 60.65 57.53 1wg7 h LYS 61 Cb 1.28 0.09 -0.14 0.00 -0.90 0.00 0.00 32.23 32.55 1wg7 h LYS 61 CO 0.76 1.01 -0.62 0.16 -2.00 0.00 0.00 179.45 178.76 1wg7 s ASP 62 N -6.99 1.61 0.41 7.07 1.47 -1.26 -4.60 116.67 114.38 1wg7 s ASP 62 Ca -0.04 -1.34 0.07 0.00 1.18 0.00 0.00 52.55 52.42 1wg7 s ASP 62 Cb 0.10 0.07 0.86 0.00 -0.34 0.00 0.00 42.92 43.60 1wg7 s ASP 62 CO 0.84 -0.65 2.05 -0.33 0.68 0.00 0.00 175.17 177.76 1wg7 h GLU 63 N 2.34 0.55 -5.62 2.11 5.08 -1.95 -3.37 114.58 113.72 1wg7 h GLU 63 Ca -0.39 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.70 1wg7 h GLU 63 Cb 1.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1wg7 h GLU 63 CO 0.64 0.37 0.66 0.15 -1.00 0.00 0.00 179.01 179.82 1wg7 s LYS 64 N -5.51 2.22 0.00 2.33 1.02 -1.26 -4.89 119.74 113.66 1wg7 s LYS 64 Ca -0.08 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1wg7 s LYS 64 Cb 0.18 -4.85 0.00 0.00 -0.52 0.00 0.00 37.83 32.63 1wg7 s LYS 64 CO 0.74 -3.63 0.00 0.44 -0.92 0.00 0.00 175.35 171.97 1wg7 n ILE 65 N 8.10 0.00 0.00 2.17 -5.35 -1.26 -4.62 119.36 118.40 1wg7 n ILE 65 Ca 0.40 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 1wg7 n ILE 65 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 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 -3.04 7.28 2.88 -1.26 -4.88 113.62 114.60 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 -1.75 -2.20 -1.46 5.02 -1.26 -4.85 118.16 111.66 1wg7 n LYS 67 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1wg7 n LYS 67 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 -2.80 4.17 0.70 1.97 2.02 -1.26 -4.99 118.70 118.50 1wg7 s GLU 68 Ca 0.00 1.91 -0.11 0.00 0.02 0.00 0.00 54.97 56.79 1wg7 s GLU 68 Cb 0.00 -3.89 0.01 0.00 0.10 0.00 0.00 34.13 30.35 1wg7 s GLU 68 CO 0.00 -0.82 1.06 -1.25 0.02 0.00 0.00 175.26 174.27 1wg7 s PRO 69 N 3.85 2.93 0.29 0.39 0.04 -1.26 -4.94 135.00 136.30 1wg7 s PRO 69 Ca 0.65 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1wg7 s PRO 69 Cb -0.27 -1.99 0.46 0.00 0.04 0.00 0.00 34.50 32.73 1wg7 s PRO 69 CO 0.23 -1.10 1.72 0.87 0.04 0.00 0.00 177.00 178.75 1wg7 h LYS 70 N -0.72 0.31 0.00 4.56 1.79 -1.63 -3.48 116.57 117.40 1wg7 h LYS 70 Ca -0.44 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1wg7 h LYS 70 Cb 1.21 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1wg7 h LYS 70 CO 0.57 0.63 0.00 0.41 -1.08 0.00 0.00 179.45 179.98 1wg7 n GLY 71 N -0.27 1.02 3.74 3.86 0.00 -1.24 -5.05 105.19 107.26 1wg7 n GLY 71 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.12 -0.29 1.61 0.15 -1.26 -3.63 113.70 112.16 1wg7 s SER 72 Ca 0.00 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1wg7 s SER 72 Cb 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.80 1wg7 s SER 72 CO 0.00 -0.75 0.03 -0.63 1.20 0.00 0.00 173.24 173.09 1wg7 s ILE 73 N -2.91 1.55 -0.93 6.45 1.01 -0.12 -4.94 121.20 121.30 1wg7 s ILE 73 Ca 0.14 -1.63 -0.26 0.00 0.00 0.00 0.00 60.65 58.90 1wg7 s ILE 73 Cb 0.00 -2.03 -0.21 0.00 0.01 0.00 0.00 42.46 40.23 1wg7 s ILE 73 CO 0.01 -0.45 1.97 0.49 0.00 0.00 0.00 174.94 176.97 1wg7 n PHE 74 N 4.60 1.38 0.29 3.97 3.72 -1.26 -3.41 117.46 126.75 1wg7 n PHE 74 Ca -0.04 -0.72 0.15 0.00 -0.05 0.00 0.00 57.45 56.79 1wg7 n PHE 74 Cb 0.43 -2.27 0.74 0.00 -0.94 0.00 0.00 39.48 37.43 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 19.86 0.00 -2.06 4.37 3.38 -1.92 1.31 115.31 140.25 1wg7 h LEU 75 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1wg7 h LEU 75 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wg7 h LEU 75 CO 1.30 0.00 -0.07 -0.78 0.09 0.00 0.00 178.44 178.98 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.58 -1.83 -2.96 116.42 114.78 1wg7 h ASP 76 Ca 0.04 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.22 1wg7 h ASP 76 Cb 0.86 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 1wg7 h ASP 76 CO -0.00 0.07 -2.02 -1.20 -2.88 0.00 0.00 179.24 173.21 1wg7 n SER 77 N -3.42 2.18 -4.58 2.28 7.64 0.44 -4.98 113.62 113.18 1wg7 n SER 77 Ca -0.02 -0.06 -0.58 0.00 1.01 0.00 0.00 58.87 59.22 1wg7 n SER 77 Cb 0.21 0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 4.16 0.31 0.00 0.00 0.00 0.99 -3.46 114.93 116.93 1wg7 h MET 79 Ca -0.49 -0.54 0.00 0.00 0.00 0.00 0.00 59.70 58.68 1wg7 h MET 79 Cb 1.38 0.20 0.00 0.00 0.00 0.00 0.00 31.60 33.18 1wg7 h MET 79 CO 0.76 1.20 0.00 0.41 0.00 0.00 0.00 176.91 179.29 1wg7 n GLY 80 N 1.81 -1.56 3.47 8.32 0.00 -1.22 -4.89 105.19 111.12 1wg7 n GLY 80 Ca -0.23 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 3.67 0.38 1.61 1.01 -1.26 -1.83 120.40 121.98 1wg7 s VAL 81 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1wg7 s VAL 81 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1wg7 s VAL 81 CO 0.00 0.51 0.35 0.68 0.00 0.00 0.00 175.10 176.64 1wg7 s VAL 82 N 0.29 3.03 -0.13 2.92 -7.23 -0.07 -4.97 120.40 114.24 1wg7 s VAL 82 Ca -0.05 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1wg7 s VAL 82 Cb -0.14 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 1wg7 s VAL 82 CO 0.04 -0.07 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.60 1wg7 s GLN 83 N -4.08 3.44 0.00 4.82 -0.21 -1.26 -2.42 119.66 119.94 1wg7 s GLN 83 Ca 0.45 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.30 1wg7 s GLN 83 Cb -0.04 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.14 1wg7 s GLN 83 CO 0.27 0.35 0.00 0.09 -2.12 0.00 0.00 175.29 173.88 1wg7 n ASN 84 N 3.20 0.00 0.00 5.90 4.13 0.36 -4.89 115.26 123.97 1wg7 n ASN 84 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1wg7 n ASN 84 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1wg7 n ASN 84 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wg7 n ASN 85 N -0.18 0.00 -0.35 6.41 2.85 -0.58 -4.62 115.26 118.79 1wg7 n ASN 85 Ca 0.00 0.00 0.36 0.00 -0.11 0.00 0.00 54.58 54.83 1wg7 n ASN 85 Cb 0.00 0.00 0.64 0.00 1.24 0.00 0.00 39.78 41.66 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1wg7 h LYS 86 N 0.00 0.00 0.00 1.20 1.79 -1.93 0.63 116.57 118.26 1wg7 h LYS 86 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1wg7 h LYS 86 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1wg7 h LYS 86 CO 0.00 0.00 -0.09 -0.39 -1.08 0.00 0.00 179.45 177.89 1wg7 h VAL 87 N 0.00 0.78 -2.88 0.50 -1.51 -1.93 -3.48 116.25 107.72 1wg7 h VAL 87 Ca 0.61 -1.60 -0.12 0.00 -1.23 0.00 0.00 66.70 64.35 1wg7 h VAL 87 Cb 2.88 1.49 -0.23 0.00 -2.13 0.00 0.00 31.29 33.30 1wg7 h VAL 87 CO -0.01 0.26 -0.26 -0.60 -1.23 0.00 0.00 177.57 175.73 1wg7 s ARG 88 N -1.90 0.54 -0.56 5.19 3.52 0.22 -4.78 118.95 121.18 1wg7 s ARG 88 Ca -0.10 0.24 -0.39 0.00 -0.13 0.00 0.00 55.73 55.35 1wg7 s ARG 88 Cb -0.01 0.25 -0.18 0.00 -1.56 0.00 0.00 34.95 33.46 1wg7 s ARG 88 CO 0.32 -0.11 2.27 0.54 -0.81 0.00 0.00 175.30 177.51 1wg7 n ARG 89 N 2.21 0.27 -2.40 5.12 1.74 -1.25 -1.82 116.66 120.52 1wg7 n ARG 89 Ca -0.16 0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 1wg7 n ARG 89 Cb 0.57 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1wg7 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1wg7 n PHE 90 N 8.87 -1.94 -4.48 -1.55 3.72 -1.26 -4.58 117.46 116.23 1wg7 n PHE 90 Ca 0.54 0.76 -0.22 0.00 -0.05 0.00 0.00 57.45 58.47 1wg7 n PHE 90 Cb 0.05 -3.09 -0.16 0.00 -0.94 0.00 0.00 39.48 35.34 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 -2.61 1.04 0.00 4.37 0.00 -0.76 -1.88 121.76 121.92 1wg7 s ALA 91 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1wg7 s ALA 91 Cb -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1wg7 s ALA 91 CO 0.46 0.14 -0.18 -0.59 0.00 0.00 0.00 175.76 175.59 1wg7 s PHE 92 N 0.36 1.59 -0.05 0.00 -0.71 0.11 -0.48 117.98 118.81 1wg7 s PHE 92 Ca -0.07 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.44 1wg7 s PHE 92 Cb -0.11 -1.00 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 1wg7 s PHE 92 CO 0.01 0.01 0.20 -2.00 -1.34 0.00 0.00 175.22 172.10 1wg7 s GLU 93 N -0.66 3.50 -0.43 1.99 2.12 -1.02 -0.16 118.70 124.04 1wg7 s GLU 93 Ca 0.06 -0.14 -0.14 0.00 0.36 0.00 0.00 54.97 55.11 1wg7 s GLU 93 Cb -0.07 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 31.23 1wg7 s GLU 93 CO 0.00 0.71 0.32 -0.51 -0.54 0.00 0.00 175.26 175.24 1wg7 s LEU 94 N -1.50 5.27 -0.32 2.70 2.01 0.48 -0.89 118.68 126.43 1wg7 s LEU 94 Ca 0.22 -1.13 -0.29 0.00 0.01 0.00 0.00 54.13 52.95 1wg7 s LEU 94 Cb -0.13 -2.14 0.01 0.00 0.01 0.00 0.00 46.19 43.94 1wg7 s LEU 94 CO 0.12 -0.53 1.26 -0.54 1.01 0.00 0.00 176.35 177.67 1wg7 s LYS 95 N 1.63 3.91 0.04 1.70 -0.14 -0.76 -1.97 119.74 124.16 1wg7 s LYS 95 Ca 0.04 1.16 -0.01 0.00 -1.36 0.00 0.00 55.97 55.80 1wg7 s LYS 95 Cb -0.21 -3.86 -0.04 0.00 -1.68 0.00 0.00 37.83 32.03 1wg7 s LYS 95 CO 0.08 -1.12 0.20 -1.64 -0.76 0.00 0.00 175.35 172.11 1wg7 s MET 96 N 4.13 3.43 0.30 1.68 -1.94 -0.59 0.14 119.30 126.46 1wg7 s MET 96 Ca 0.54 -0.42 0.23 0.00 -1.71 0.00 0.00 55.69 54.33 1wg7 s MET 96 Cb -0.15 -3.05 1.10 0.00 2.01 0.00 0.00 34.83 34.74 1wg7 s MET 96 CO 0.23 0.62 1.70 0.00 -0.01 0.00 0.00 175.02 177.56 1wg7 n GLN 97 N 0.44 0.17 -0.58 2.03 10.64 -0.90 -1.19 117.38 127.98 1wg7 n GLN 97 Ca -0.06 0.54 -0.03 0.00 -1.83 0.00 0.00 57.00 55.61 1wg7 n GLN 97 Cb 0.51 -1.93 0.18 0.00 -0.86 0.00 0.00 30.24 28.14 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 -2.27 3.56 0.00 2.61 8.00 -1.26 -4.89 116.55 122.30 1wg7 n ASP 98 Ca 0.00 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1wg7 n ASP 98 Cb 0.13 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wg7 n LYS 99 N 0.03 0.00 -0.87 -1.24 5.02 -0.34 -4.91 118.16 115.86 1wg7 n LYS 99 Ca 0.23 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.16 1wg7 n LYS 99 Cb 0.94 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 36.04 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 2.66 -2.84 -3.64 4.39 7.64 -1.26 -4.41 113.62 116.17 1wg7 n SER 100 Ca 0.00 -0.04 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1wg7 n SER 100 Cb 0.00 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 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 -1.34 -0.56 0.49 6.43 1.04 -1.26 -1.55 113.70 116.95 1wg7 s SER 101 Ca 0.44 1.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.90 1wg7 s SER 101 Cb 0.01 1.10 -0.02 0.00 0.10 0.00 0.00 66.02 67.21 1wg7 s SER 101 CO 0.67 -0.18 0.77 -0.31 0.98 0.00 0.00 173.24 175.16 1wg7 s TYR 102 N 0.42 3.42 -0.44 5.02 2.02 -0.83 -4.58 117.35 122.38 1wg7 s TYR 102 Ca 0.01 0.61 0.03 0.00 -0.37 0.00 0.00 57.07 57.35 1wg7 s TYR 102 Cb -0.05 -2.37 0.12 0.00 -0.40 0.00 0.00 41.96 39.26 1wg7 s TYR 102 CO -0.06 -0.38 0.18 -1.17 -1.57 0.00 0.00 175.55 172.55 1wg7 s LEU 103 N -4.72 4.63 0.29 -1.29 2.96 0.03 -0.39 118.68 120.19 1wg7 s LEU 103 Ca 0.48 -2.58 -0.02 0.00 -0.22 0.00 0.00 54.13 51.80 1wg7 s LEU 103 Cb -0.10 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1wg7 s LEU 103 CO 0.43 -0.32 0.52 -0.76 -1.32 0.00 0.00 176.35 174.89 1wg7 s LEU 104 N 0.32 4.07 -0.28 -0.68 1.02 0.77 -0.57 118.68 123.33 1wg7 s LEU 104 Ca 0.14 0.55 -0.22 0.00 0.02 0.00 0.00 54.13 54.62 1wg7 s LEU 104 Cb -0.22 -3.38 0.09 0.00 0.02 0.00 0.00 46.19 42.70 1wg7 s LEU 104 CO -0.04 -0.21 0.83 0.00 0.02 0.00 0.00 176.35 176.95 1wg7 s ALA 105 N -2.14 -1.90 0.49 4.21 0.00 -0.78 0.06 121.76 121.70 1wg7 s ALA 105 Ca 0.41 2.08 0.07 0.00 0.00 0.00 0.00 51.96 54.53 1wg7 s ALA 105 Cb -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1wg7 s ALA 105 CO 0.32 -0.32 0.49 0.00 0.00 0.00 0.00 175.76 176.25 1wg7 s ALA 106 N 0.68 4.36 -0.02 0.00 0.00 -0.79 0.12 121.76 126.11 1wg7 s ALA 106 Ca -0.02 -1.72 0.12 0.00 0.00 0.00 0.00 51.96 50.34 1wg7 s ALA 106 Cb -0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 23.12 21.86 1wg7 s ALA 106 CO -0.07 -0.44 1.06 -0.44 0.00 0.00 0.00 175.76 175.87 1wg7 h ASP 107 N 0.72 0.00 -4.67 0.00 3.32 -1.87 -3.44 116.42 110.48 1wg7 h ASP 107 Ca -0.37 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.44 1wg7 h ASP 107 Cb 1.28 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.67 1wg7 h ASP 107 CO 0.53 0.84 -0.71 -0.44 -1.72 0.00 0.00 179.24 177.74 1wg7 s SER 108 N -6.33 1.03 0.22 6.45 0.01 -1.26 -5.02 113.70 108.80 1wg7 s SER 108 Ca -0.01 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1wg7 s SER 108 Cb 0.09 0.08 0.25 0.00 0.21 0.00 0.00 66.02 66.64 1wg7 s SER 108 CO 0.81 -0.38 1.60 -0.08 0.41 0.00 0.00 173.24 175.59 1wg7 h GLU 109 N 3.47 -0.04 0.10 12.44 4.81 -1.92 0.20 114.58 133.64 1wg7 h GLU 109 Ca -0.35 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1wg7 h GLU 109 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1wg7 h GLU 109 CO 0.57 -0.03 -0.39 -0.24 -0.73 0.00 0.00 179.01 178.19 1wg7 h VAL 110 N -0.05 0.00 -0.17 0.32 3.04 -1.97 1.75 116.25 119.18 1wg7 h VAL 110 Ca 0.32 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 66.06 1wg7 h VAL 110 Cb 0.54 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1wg7 h VAL 110 CO -0.74 0.00 0.46 -0.33 -1.01 0.00 0.00 177.57 175.95 1wg7 h GLU 111 N -0.56 0.00 0.02 4.17 5.08 -1.60 1.38 114.58 123.08 1wg7 h GLU 111 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1wg7 h GLU 111 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1wg7 h GLU 111 CO -0.21 0.00 -1.74 1.98 -1.00 0.00 0.00 179.01 178.04 1wg7 h MET 112 N 0.00 0.05 0.16 2.33 4.05 0.27 -3.34 114.93 118.45 1wg7 h MET 112 Ca 0.08 -0.09 -0.31 0.00 -0.28 0.00 0.00 59.70 59.10 1wg7 h MET 112 Cb 1.01 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1wg7 h MET 112 CO -0.00 0.64 -1.47 1.05 0.23 0.00 0.00 176.91 177.36 1wg7 h GLU 113 N 0.01 0.33 0.01 0.39 4.11 0.87 -2.77 114.58 117.53 1wg7 h GLU 113 Ca -0.30 -0.56 0.03 0.00 0.07 0.00 0.00 59.36 58.59 1wg7 h GLU 113 Cb 2.01 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 31.42 1wg7 h GLU 113 CO 0.08 1.23 -0.45 0.93 0.07 0.00 0.00 179.01 180.87 1wg7 h GLU 114 N 0.09 -0.59 0.51 1.06 5.08 0.13 0.01 114.58 120.88 1wg7 h GLU 114 Ca -0.23 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1wg7 h GLU 114 Cb 2.04 0.13 0.01 0.00 0.50 0.00 0.00 28.75 31.43 1wg7 h GLU 114 CO 0.20 -0.39 -0.25 -1.49 -1.00 0.00 0.00 179.01 176.08 1wg7 h TRP 115 N -0.61 -0.64 -1.21 4.33 4.06 -1.71 -0.61 115.95 119.56 1wg7 h TRP 115 Ca 0.04 -0.02 0.40 0.00 2.06 0.00 0.00 58.89 61.37 1wg7 h TRP 115 Cb 0.68 0.21 -0.10 0.00 -1.00 0.00 0.00 29.16 28.95 1wg7 h TRP 115 CO -0.45 -0.34 0.80 -0.89 -3.56 0.00 0.00 178.44 174.00 1wg7 n ILE 116 N -5.34 -0.16 -0.01 1.49 5.41 -1.02 0.44 119.36 120.16 1wg7 n ILE 116 Ca -0.12 1.41 -0.00 0.00 1.00 0.00 0.00 62.75 65.04 1wg7 n ILE 116 Cb 0.31 -2.32 -0.00 0.00 -0.71 0.00 0.00 39.64 36.92 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 -0.93 1.39 2.02 -0.30 -2.99 112.91 112.10 1wg7 h THR 117 Ca 0.72 -0.28 0.15 0.00 0.77 0.00 0.00 66.41 67.77 1wg7 h THR 117 Cb 2.45 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 68.70 1wg7 h THR 117 CO -0.31 0.00 -0.34 -0.38 0.37 0.00 0.00 175.52 174.87 1wg7 n ILE 118 N -2.80 -0.47 0.05 3.11 -0.00 0.35 0.33 119.36 119.93 1wg7 n ILE 118 Ca -0.00 2.17 -0.07 0.00 -0.00 0.00 0.00 62.75 64.85 1wg7 n ILE 118 Cb 0.01 -2.90 -0.04 0.00 -0.00 0.00 0.00 39.64 36.71 1wg7 n ILE 118 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1wg7 h LEU 119 N 0.00 -0.66 -0.22 1.39 4.07 -0.19 0.40 115.31 120.11 1wg7 h LEU 119 Ca 0.35 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1wg7 h LEU 119 Cb 0.58 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1wg7 h LEU 119 CO -0.93 -0.23 0.00 -0.46 -1.08 0.00 0.00 178.44 175.74 1wg7 n ASN 120 N -3.69 0.10 0.13 -0.43 0.23 0.42 -1.36 115.26 110.66 1wg7 n ASN 120 Ca -0.04 0.54 -0.08 0.00 -0.53 0.00 0.00 54.58 54.48 1wg7 n ASN 120 Cb 0.17 -0.56 -0.04 0.00 -2.08 0.00 0.00 39.78 37.27 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 -0.39 -0.03 -3.83 3.64 0.95 -1.21 116.57 115.70 1wg7 h LYS 121 Ca 0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1wg7 h LYS 121 Cb 0.06 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1wg7 h LYS 121 CO 0.00 -0.17 -0.29 0.82 -2.27 0.00 0.00 179.45 177.54 1wg7 h ILE 122 N -1.06 1.22 0.36 2.00 5.03 -0.28 0.21 117.51 124.99 1wg7 h ILE 122 Ca -0.04 -1.04 -0.02 0.00 -0.12 0.00 0.00 64.86 63.64 1wg7 h ILE 122 Cb 0.40 1.53 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 1wg7 h ILE 122 CO 0.07 0.30 -0.17 -0.07 -0.68 0.00 0.00 178.15 177.60 1wg7 h LEU 123 N 0.04 -0.41 -1.02 1.44 4.07 -1.27 1.60 115.31 119.77 1wg7 h LEU 123 Ca 0.00 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.80 1wg7 h LEU 123 Cb 0.53 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1wg7 h LEU 123 CO 0.04 -0.17 -0.24 1.56 -1.08 0.00 0.00 178.44 178.56 1wg7 h GLN 124 N -0.65 0.42 -0.20 1.13 4.20 -1.00 -2.66 115.11 116.36 1wg7 h GLN 124 Ca -0.05 -0.15 -0.19 0.00 0.06 0.00 0.00 58.65 58.32 1wg7 h GLN 124 Cb 0.47 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1wg7 h GLN 124 CO 0.08 0.64 -0.64 -0.07 -0.67 0.00 0.00 178.83 178.17 1wg7 h LEU 125 N 0.38 0.84 -1.61 1.46 4.07 -0.39 -2.88 115.31 117.18 1wg7 h LEU 125 Ca 0.06 -0.49 0.18 0.00 0.08 0.00 0.00 57.88 57.70 1wg7 h LEU 125 Cb 0.62 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.07 1wg7 h LEU 125 CO 0.04 1.27 0.54 0.78 -1.08 0.00 0.00 178.44 180.00 1wg7 h ASN 126 N 0.54 0.35 -0.11 -0.43 2.35 0.27 0.77 115.58 119.32 1wg7 h ASN 126 Ca -0.01 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1wg7 h ASN 126 Cb 1.24 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 1wg7 h ASN 126 CO 0.13 0.16 -0.02 0.15 -1.65 0.00 0.00 177.43 176.20 1wg7 h PHE 127 N 0.36 0.24 0.00 1.19 3.57 -1.35 -2.34 116.94 118.60 1wg7 h PHE 127 Ca 0.41 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 1wg7 h PHE 127 Cb 1.04 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1wg7 h PHE 127 CO -0.00 0.50 -0.34 0.93 -2.23 0.00 0.00 178.31 177.17 1wg7 h GLU 128 N -0.10 0.00 0.00 1.11 5.08 -0.99 -2.40 114.58 117.28 1wg7 h GLU 128 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1wg7 h GLU 128 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1wg7 h GLU 128 CO 0.01 0.34 -0.28 0.00 -1.00 0.00 0.00 179.01 178.07 1wg7 h ALA 129 N 1.66 1.15 0.02 3.43 0.00 0.66 -1.22 119.26 124.95 1wg7 h ALA 129 Ca -0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1wg7 h ALA 129 Cb 0.84 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wg7 h ALA 129 CO 0.04 0.35 -0.60 0.00 0.00 0.00 0.00 179.25 179.05 1wg7 h ALA 130 N 1.72 0.05 0.00 0.00 0.00 -0.91 -3.00 119.26 117.12 1wg7 h ALA 130 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wg7 h ALA 130 Cb 0.68 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wg7 h ALA 130 CO 0.04 0.33 0.00 0.52 0.00 0.00 0.00 179.25 180.14 1wg7 h MET 131 N -0.17 0.00 0.04 0.00 2.07 -1.31 0.42 114.93 115.99 1wg7 h MET 131 Ca -0.08 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.32 1wg7 h MET 131 Cb 1.33 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.04 1wg7 h MET 131 CO 0.12 0.00 -1.04 1.96 1.07 0.00 0.00 176.91 179.01 1wg7 h GLN 132 N 0.00 0.14 0.10 1.72 4.20 -1.18 -3.18 115.11 116.91 1wg7 h GLN 132 Ca 0.00 -0.21 -0.37 0.00 0.06 0.00 0.00 58.65 58.13 1wg7 h GLN 132 Cb 0.39 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1wg7 h GLN 132 CO 0.00 1.06 -2.07 0.39 -0.67 0.00 0.00 178.83 177.53 1wg7 n GLU 133 N -3.50 0.73 -0.23 1.46 -0.58 -0.88 -4.22 120.64 113.42 1wg7 n GLU 133 Ca -0.04 0.24 0.03 0.00 -0.42 0.00 0.00 57.16 56.97 1wg7 n GLU 133 Cb 0.93 -1.68 0.13 0.00 -0.57 0.00 0.00 31.44 30.25 1wg7 n GLU 133 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wg7 h LYS 134 N 0.06 0.13 -0.81 3.49 1.57 -0.30 0.91 116.57 121.62 1wg7 h LYS 134 Ca -0.45 -0.01 0.24 0.00 -1.87 0.00 0.00 60.65 58.56 1wg7 h LYS 134 Cb 2.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 1wg7 h LYS 134 CO 0.06 0.09 0.92 0.07 -0.57 0.00 0.00 179.45 180.01 1wg7 h ARG 135 N 0.14 0.00 -3.18 3.15 -0.00 -1.62 0.16 114.38 113.03 1wg7 h ARG 135 Ca 0.37 0.00 -0.64 0.00 -0.00 0.00 0.00 59.98 59.71 1wg7 h ARG 135 Cb 0.63 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 30.19 1wg7 h ARG 135 CO -0.57 0.00 -0.48 1.21 -0.00 0.00 0.00 179.97 180.13 1wg7 s ASN 136 N -4.19 5.02 0.00 0.08 2.47 0.32 -4.67 114.94 113.97 1wg7 s ASN 136 Ca -0.03 -3.71 0.00 0.00 0.42 0.00 0.00 52.86 49.54 1wg7 s ASN 136 Cb 0.15 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 38.25 1wg7 s ASN 136 CO 0.51 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.37 1wg7 n GLY 137 N 2.21 2.45 3.48 1.21 0.00 -0.88 -4.95 105.19 108.71 1wg7 n GLY 137 Ca 0.18 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1wg7 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wg7 s ASP 138 N 0.00 2.72 -0.20 1.61 1.01 -0.01 -5.10 116.67 116.70 1wg7 s ASP 138 Ca 0.00 -1.35 -0.29 0.00 0.71 0.00 0.00 52.55 51.62 1wg7 s ASP 138 Cb 0.00 -0.16 -0.00 0.00 1.01 0.00 0.00 42.92 43.77 1wg7 s ASP 138 CO 0.00 -0.54 1.17 -0.44 0.21 0.00 0.00 175.17 175.57 1wg7 s SER 139 N -3.52 7.00 0.00 0.27 0.01 -1.26 -4.13 113.70 112.06 1wg7 s SER 139 Ca 0.35 1.54 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1wg7 s SER 139 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1wg7 s SER 139 CO 0.15 -0.73 0.00 1.41 0.41 0.00 0.00 173.24 174.48 1wg7 n HIS 140 N 6.51 0.00 -4.26 2.43 8.25 -1.26 -4.97 115.22 121.92 1wg7 n HIS 140 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 1wg7 n HIS 140 Cb 0.45 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 1wg7 n HIS 140 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1wg7 s GLU 141 N 0.00 2.22 0.00 -0.41 2.12 -1.26 -3.68 118.70 117.69 1wg7 s GLU 141 Ca 0.00 -2.13 0.00 0.00 0.36 0.00 0.00 54.97 53.20 1wg7 s GLU 141 Cb 0.00 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.52 1wg7 s GLU 141 CO 0.00 -0.42 0.00 -0.25 -0.54 0.00 0.00 175.26 174.05 1wg7 n ASP 142 N -1.47 0.00 -4.82 -1.70 8.00 -1.26 -5.08 116.55 110.21 1wg7 n ASP 142 Ca -0.08 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.17 1wg7 n ASP 142 Cb 0.65 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.83 1wg7 n ASP 142 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wg7 s ASP 143 N 0.00 4.66 -0.21 -2.24 1.01 -1.26 -5.11 116.67 113.52 1wg7 s ASP 143 Ca 0.00 0.24 -0.12 0.00 0.71 0.00 0.00 52.55 53.38 1wg7 s ASP 143 Cb 0.00 -0.83 0.07 0.00 1.01 0.00 0.00 42.92 43.17 1wg7 s ASP 143 CO 0.00 -1.67 0.51 -0.70 0.21 0.00 0.00 175.17 173.52 1wg7 s GLU 144 N -5.21 0.51 1.42 8.23 2.12 -1.26 -5.16 118.70 119.34 1wg7 s GLU 144 Ca 0.62 0.96 -0.23 0.00 0.36 0.00 0.00 54.97 56.68 1wg7 s GLU 144 Cb -0.09 0.04 0.36 0.00 0.26 0.00 0.00 34.13 34.71 1wg7 s GLU 144 CO 0.44 -0.16 0.93 -1.12 -0.54 0.00 0.00 175.26 174.82 1wg7 s SER 145 N 1.51 -1.01 -0.43 -1.70 0.01 -1.26 -4.97 113.70 105.85 1wg7 s SER 145 Ca -0.10 0.87 -0.10 0.00 1.31 0.00 0.00 55.95 57.94 1wg7 s SER 145 Cb -0.07 -1.24 0.08 0.00 0.21 0.00 0.00 66.02 65.00 1wg7 s SER 145 CO -0.15 -5.34 0.28 -0.83 0.41 0.00 0.00 173.24 167.61 1wg7 s GLY 146 N -3.13 1.98 0.95 3.44 0.00 -1.26 -5.08 107.32 104.22 1wg7 s GLY 146 Ca 0.69 -2.20 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 1wg7 s GLY 146 CO 0.58 1.00 1.04 -1.55 0.00 0.00 0.00 173.10 174.17 1wg7 n PRO 147 N 4.94 -1.97 -4.24 2.90 -0.04 -1.26 -5.08 135.00 130.25 1wg7 n PRO 147 Ca -0.10 -1.64 -0.25 0.00 -0.04 0.00 0.00 63.50 61.48 1wg7 n PRO 147 Cb 0.43 -1.29 -0.17 0.00 -0.04 0.00 0.00 33.50 32.43 1wg7 n PRO 147 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg7 s SER 148 N -4.62 1.84 0.37 3.54 0.01 -1.26 -5.13 113.70 108.45 1wg7 s SER 148 Ca 0.63 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 1wg7 s SER 148 Cb -0.04 -0.78 -0.09 0.00 0.21 0.00 0.00 66.02 65.32 1wg7 s SER 148 CO 0.46 -0.04 1.12 -0.55 0.41 0.00 0.00 173.24 174.63 1wg7 s SER 149 N 1.14 6.79 0.00 2.44 0.15 -1.26 -5.27 113.70 117.69 1wg7 s SER 149 Ca -0.06 2.24 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1wg7 s SER 149 Cb -0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wg7 s SER 149 CO -0.02 -0.48 0.12 0.61 1.20 0.00 0.00 173.24 174.68