#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 -2.49 -4.56 1.61 2.88 -1.26 -5.14 113.62 104.66 1wg7 n SER 2 Ca 0.00 0.62 -0.30 0.00 -1.33 0.00 0.00 58.87 57.85 1wg7 n SER 2 Cb 0.00 2.49 0.20 0.00 -0.75 0.00 0.00 64.21 66.15 1wg7 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg7 n SER 3 N -3.11 -0.72 0.00 -3.46 7.64 -1.26 -4.90 113.62 107.82 1wg7 n SER 3 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1wg7 n SER 3 Cb 0.00 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 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 0.72 0.12 1.71 0.23 0.00 -1.26 -5.13 105.19 101.58 1wg7 n GLY 4 Ca 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.77 -3.65 1.61 2.88 -1.26 -5.12 113.62 106.31 1wg7 n SER 5 Ca 0.00 0.26 -0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wg7 n SER 5 Cb 0.00 -1.82 -0.07 0.00 -0.75 0.00 0.00 64.21 61.58 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg7 s SER 6 N -0.14 -0.01 -0.11 -3.46 1.04 -1.26 -5.17 113.70 104.59 1wg7 s SER 6 Ca -0.05 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1wg7 s SER 6 Cb 0.00 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1wg7 s SER 6 CO 0.15 -0.00 0.26 -0.83 0.98 0.00 0.00 173.24 173.80 1wg7 s GLY 7 N 0.41 -0.16 0.00 7.32 0.00 -1.26 -5.12 107.32 108.51 1wg7 s GLY 7 Ca 0.01 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1wg7 s GLY 7 CO -0.14 1.40 0.00 0.00 0.00 0.00 0.00 173.10 174.36 1wg7 n ALA 8 N 4.39 0.00 -2.42 3.20 0.00 -1.25 -4.98 120.51 119.44 1wg7 n ALA 8 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1wg7 n ALA 8 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.00 2.48 0.00 0.00 0.00 -1.00 -3.43 121.76 117.81 1wg7 s ALA 9 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1wg7 s ALA 9 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1wg7 s ALA 9 CO 0.00 0.54 0.00 0.45 0.00 0.00 0.00 175.76 176.75 1wg7 n SER 10 N 2.37 0.00 0.00 0.00 2.88 -1.23 -4.55 113.62 113.08 1wg7 n SER 10 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1wg7 n SER 10 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1wg7 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg7 n LEU 11 N 0.00 -1.36 0.00 2.46 -0.00 -1.26 -0.96 117.00 115.88 1wg7 n LEU 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1wg7 n LEU 11 Cb 0.00 0.96 0.00 0.00 -0.00 0.00 0.00 43.42 44.38 1wg7 n LEU 11 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1wg7 n GLY 12 N -0.65 4.23 3.46 1.47 0.00 -1.22 -4.28 105.19 108.20 1wg7 n GLY 12 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 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 1.00 -0.72 0.09 1.61 0.15 -1.19 -4.53 113.70 110.11 1wg7 s SER 13 Ca 0.00 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.90 1wg7 s SER 13 Cb 0.00 1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 65.79 1wg7 s SER 13 CO 0.00 -0.22 0.02 -1.10 1.20 0.00 0.00 173.24 173.14 1wg7 s GLN 14 N 2.24 0.78 -0.15 5.44 -0.21 -1.26 -4.98 119.66 121.52 1wg7 s GLN 14 Ca -0.06 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 53.98 1wg7 s GLN 14 Cb -0.10 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.17 1wg7 s GLN 14 CO -0.16 -0.19 -0.13 0.15 -2.12 0.00 0.00 175.29 172.83 1wg7 s LYS 15 N -3.99 2.20 0.00 2.91 1.02 -1.26 -4.94 119.74 115.68 1wg7 s LYS 15 Ca 0.16 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1wg7 s LYS 15 Cb 0.08 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1wg7 s LYS 15 CO -0.04 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 1wg7 n GLY 16 N 4.78 -1.16 0.00 -3.33 0.00 -1.26 -5.14 105.19 99.07 1wg7 n GLY 16 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.41 5.40 1.62 -0.02 0.00 -1.26 -5.17 105.19 106.17 1wg7 n GLY 17 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 1wg7 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg7 n ILE 18 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -5.16 119.36 117.74 1wg7 n ILE 18 Ca 0.00 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.69 1wg7 n ILE 18 Cb 0.00 0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 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 -0.59 0.00 -3.61 1.39 5.66 -1.26 -4.92 114.28 110.94 1wg7 n THR 19 Ca -0.09 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.90 1wg7 n THR 19 Cb 0.29 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.05 1wg7 n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wg7 s LYS 20 N -2.00 0.11 0.21 1.09 2.20 -1.26 -5.05 119.74 115.04 1wg7 s LYS 20 Ca 0.00 -0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1wg7 s LYS 20 Cb 0.00 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1wg7 s LYS 20 CO 0.00 -0.05 0.51 -3.38 -0.36 0.00 0.00 175.35 172.07 1wg7 s HIS 21 N -2.13 0.01 0.00 4.03 -3.43 -1.26 -2.77 115.29 109.73 1wg7 s HIS 21 Ca 0.12 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 1wg7 s HIS 21 Cb 0.02 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1wg7 s HIS 21 CO -0.04 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.17 1wg7 n GLY 22 N -0.35 4.16 3.72 -1.38 0.00 -1.23 -5.05 105.19 105.07 1wg7 n GLY 22 Ca -0.08 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 3.33 0.21 1.61 0.52 -1.26 -2.59 118.94 118.77 1wg7 s TRP 23 Ca 0.00 1.18 0.03 0.00 0.02 0.00 0.00 56.10 57.33 1wg7 s TRP 23 Cb 0.00 -3.55 -0.05 0.00 -1.15 0.00 0.00 33.47 28.72 1wg7 s TRP 23 CO 0.00 -1.77 -0.01 -1.17 0.02 0.00 0.00 176.95 174.02 1wg7 s LEU 24 N 0.64 2.18 -0.27 2.99 2.96 0.18 -4.79 118.68 122.57 1wg7 s LEU 24 Ca 0.59 -1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1wg7 s LEU 24 Cb -0.34 -0.21 0.05 0.00 0.50 0.00 0.00 46.19 46.19 1wg7 s LEU 24 CO 0.32 -0.52 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.47 1wg7 s TYR 25 N -3.48 3.20 0.49 5.38 1.51 -0.57 0.20 117.35 124.08 1wg7 s TYR 25 Ca 0.27 -1.94 -0.16 0.00 -1.01 0.00 0.00 57.07 54.23 1wg7 s TYR 25 Cb 0.06 -2.03 -0.08 0.00 -0.11 0.00 0.00 41.96 39.80 1wg7 s TYR 25 CO 0.07 -0.81 0.94 0.21 -1.11 0.00 0.00 175.55 174.85 1wg7 s LYS 26 N 1.22 3.94 0.00 -0.62 2.20 0.24 -1.52 119.74 125.21 1wg7 s LYS 26 Ca -0.05 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1wg7 s LYS 26 Cb -0.19 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1wg7 s LYS 26 CO -0.04 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1wg7 n GLY 27 N -1.45 3.60 0.49 5.54 0.00 0.29 -2.36 105.19 111.31 1wg7 n GLY 27 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wg7 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg7 n ASN 28 N 0.00 0.00 -1.09 1.61 5.15 -1.22 -4.69 115.26 115.01 1wg7 n ASN 28 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1wg7 n ASN 28 Cb 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1wg7 n MET 29 N -1.61 -3.12 -3.81 1.20 2.81 -0.19 -4.41 117.12 108.00 1wg7 n MET 29 Ca 0.00 2.33 0.05 0.00 -1.81 0.00 0.00 57.70 58.27 1wg7 n MET 29 Cb 0.00 -2.65 0.01 0.00 -0.71 0.00 0.00 33.22 29.86 1wg7 n MET 29 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1wg7 s ASN 30 N -3.16 -0.00 0.00 7.83 2.47 -1.26 -4.75 114.94 116.06 1wg7 s ASN 30 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 1wg7 s ASN 30 Cb 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 1wg7 s ASN 30 CO 0.00 -0.00 0.60 -1.20 -3.72 0.00 0.00 177.10 172.78 1wg7 n SER 31 N -0.76 0.00 -4.54 -4.21 7.64 -1.26 -4.35 113.62 106.14 1wg7 n SER 31 Ca -0.01 0.60 -0.38 0.00 1.01 0.00 0.00 58.87 60.08 1wg7 n SER 31 Cb 0.61 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.23 -0.48 -0.07 -0.43 0.00 -1.26 -4.83 120.51 112.21 1wg7 n ALA 32 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1wg7 n ALA 32 Cb 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.35 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 0.41 1.72 -0.10 0.00 6.09 -1.99 -1.19 117.51 122.45 1wg7 h ILE 33 Ca -0.47 -2.31 0.03 0.00 -1.37 0.00 0.00 64.86 60.74 1wg7 h ILE 33 Cb 1.38 3.27 -0.00 0.00 0.47 0.00 0.00 36.82 41.94 1wg7 h ILE 33 CO 0.49 0.58 0.44 -1.28 -3.07 0.00 0.00 178.15 175.32 1wg7 h SER 34 N -1.00 0.00 0.03 2.19 0.87 -1.95 0.12 113.55 113.81 1wg7 h SER 34 Ca -0.01 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.22 1wg7 h SER 34 Cb 0.98 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 1wg7 h SER 34 CO -0.01 0.00 -1.85 0.52 -0.53 0.00 0.00 176.83 174.96 1wg7 n VAL 35 N -3.00 1.59 -0.33 2.23 0.31 -1.22 -3.78 118.33 114.13 1wg7 n VAL 35 Ca 0.00 -0.32 0.28 0.00 -0.01 0.00 0.00 64.34 64.29 1wg7 n VAL 35 Cb 0.51 -1.86 0.52 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.63 0.03 0.03 2.52 1.03 0.51 0.53 112.91 116.94 1wg7 h THR 36 Ca -0.47 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1wg7 h THR 36 Cb 1.62 -0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1wg7 h THR 36 CO -0.17 0.01 -0.01 0.24 -0.01 0.00 0.00 175.52 175.57 1wg7 h MET 37 N 0.03 -0.03 -5.69 0.00 2.86 -1.61 -0.48 114.93 110.01 1wg7 h MET 37 Ca 0.79 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 58.00 1wg7 h MET 37 Cb 2.00 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.66 1wg7 h MET 37 CO -0.79 0.45 -0.67 0.54 1.06 0.00 0.00 176.91 177.50 1wg7 n ARG 38 N -4.87 -5.26 -2.96 1.72 5.12 0.19 -2.80 116.66 107.80 1wg7 n ARG 38 Ca -0.08 0.66 -0.01 0.00 -1.93 0.00 0.00 57.85 56.49 1wg7 n ARG 38 Cb 0.26 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.02 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 -7.55 -4.11 0.55 7.64 -1.26 -4.66 113.62 101.56 1wg7 n SER 39 Ca -0.00 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wg7 n SER 39 Cb 0.55 -5.12 -0.13 0.00 -1.01 0.00 0.00 64.21 58.50 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 -1.55 0.65 -3.50 1.43 3.01 -1.12 -4.86 117.46 111.51 1wg7 n PHE 40 Ca 0.01 0.44 -0.35 0.00 1.01 0.00 0.00 57.45 58.56 1wg7 n PHE 40 Cb 0.49 -2.18 -0.06 0.00 -0.01 0.00 0.00 39.48 37.72 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wg7 s LYS 41 N 7.69 3.84 -0.07 -1.08 1.02 -0.99 -4.92 119.74 125.22 1wg7 s LYS 41 Ca 1.22 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 57.31 1wg7 s LYS 41 Cb -1.22 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1wg7 s LYS 41 CO 0.49 0.55 0.55 0.50 -0.92 0.00 0.00 175.35 176.52 1wg7 s ARG 42 N -1.84 4.34 0.03 1.68 3.52 -1.26 -0.59 118.95 124.83 1wg7 s ARG 42 Ca 0.33 0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 56.41 1wg7 s ARG 42 Cb -0.15 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1wg7 s ARG 42 CO 0.18 0.21 0.30 1.03 -0.81 0.00 0.00 175.30 176.21 1wg7 s ARG 43 N 0.39 0.78 -0.15 5.12 0.52 0.55 -4.93 118.95 121.22 1wg7 s ARG 43 Ca 0.30 -0.45 -0.26 0.00 -0.52 0.00 0.00 55.73 54.80 1wg7 s ARG 43 Cb -0.16 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1wg7 s ARG 43 CO 0.14 -0.24 0.88 0.12 0.02 0.00 0.00 175.30 176.22 1wg7 s PHE 44 N -2.30 3.44 -0.29 -0.53 5.36 -0.27 0.48 117.98 123.87 1wg7 s PHE 44 Ca -0.07 1.35 -0.06 0.00 -0.96 0.00 0.00 56.93 57.19 1wg7 s PHE 44 Cb -0.02 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1wg7 s PHE 44 CO -0.02 -0.24 0.06 -0.06 -1.46 0.00 0.00 175.22 173.50 1wg7 s PHE 45 N 2.14 3.15 -0.18 10.12 0.40 -1.07 0.16 117.98 132.70 1wg7 s PHE 45 Ca 0.41 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 1wg7 s PHE 45 Cb -0.17 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.15 1wg7 s PHE 45 CO 0.13 -0.61 -0.17 -1.58 0.70 0.00 0.00 175.22 173.69 1wg7 s HIS 46 N 1.46 2.79 0.16 0.36 5.65 -0.24 -3.53 115.29 121.94 1wg7 s HIS 46 Ca 0.02 -1.43 -0.29 0.00 0.25 0.00 0.00 55.06 53.61 1wg7 s HIS 46 Cb -0.17 -1.93 -0.07 0.00 -1.18 0.00 0.00 32.58 29.23 1wg7 s HIS 46 CO 0.01 -0.70 0.91 -1.17 -0.65 0.00 0.00 174.74 173.14 1wg7 s LEU 47 N 1.19 4.57 0.00 8.88 2.96 -1.12 -1.86 118.68 133.30 1wg7 s LEU 47 Ca 0.02 1.80 -0.01 0.00 -0.22 0.00 0.00 54.13 55.72 1wg7 s LEU 47 Cb -0.14 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 1wg7 s LEU 47 CO -0.08 0.07 0.01 -0.51 -1.32 0.00 0.00 176.35 174.52 1wg7 s ILE 48 N -0.62 0.04 0.04 6.68 2.07 -0.36 -4.64 121.20 124.41 1wg7 s ILE 48 Ca 0.42 -0.34 -0.27 0.00 -1.41 0.00 0.00 60.65 59.06 1wg7 s ILE 48 Cb -0.24 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 1wg7 s ILE 48 CO 0.29 -0.18 0.83 -1.58 -1.91 0.00 0.00 174.94 172.39 1wg7 s GLN 49 N -0.55 4.54 0.05 3.50 0.74 -1.26 -0.07 119.66 126.62 1wg7 s GLN 49 Ca -0.06 1.18 -0.01 0.00 0.05 0.00 0.00 55.36 56.52 1wg7 s GLN 49 Cb -0.04 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.69 1wg7 s GLN 49 CO -0.00 0.19 0.03 1.28 -0.55 0.00 0.00 175.29 176.24 1wg7 n LEU 50 N 3.08 0.00 -0.16 3.68 7.99 0.38 -4.64 117.00 127.33 1wg7 n LEU 50 Ca -0.00 -0.03 0.01 0.00 -0.01 0.00 0.00 56.01 55.98 1wg7 n LEU 50 Cb 0.50 -0.04 0.04 0.00 -0.11 0.00 0.00 43.42 43.81 1wg7 n LEU 50 CO 0.49 -1.41 0.27 0.61 -1.51 0.00 0.00 177.39 175.83 1wg7 n GLY 51 N -0.15 -0.83 0.00 -0.72 0.00 -1.26 -4.07 105.19 98.16 1wg7 n GLY 51 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wg7 n ASP 52 N -4.67 0.00 0.00 1.61 2.03 -1.26 -5.08 116.55 109.17 1wg7 n ASP 52 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1wg7 n ASP 52 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg7 n GLY 53 N 0.00 -1.75 3.52 0.27 0.00 -1.26 -3.19 105.19 102.78 1wg7 n GLY 53 Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.37 1wg7 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 54 N -4.00 1.21 0.27 1.61 1.04 -1.26 -4.66 113.70 107.91 1wg7 s SER 54 Ca 0.00 1.49 0.10 0.00 0.48 0.00 0.00 55.95 58.02 1wg7 s SER 54 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 1wg7 s SER 54 CO 0.00 -4.06 -0.16 -0.31 0.98 0.00 0.00 173.24 169.70 1wg7 s TYR 55 N -2.53 2.12 -0.14 5.02 1.51 -1.26 0.14 117.35 122.21 1wg7 s TYR 55 Ca 0.68 -0.45 -0.07 0.00 -1.01 0.00 0.00 57.07 56.21 1wg7 s TYR 55 Cb -0.24 -1.00 0.05 0.00 -0.11 0.00 0.00 41.96 40.66 1wg7 s TYR 55 CO 0.63 0.57 0.34 -0.80 -1.11 0.00 0.00 175.55 175.18 1wg7 s ASN 56 N -3.47 -0.40 -0.55 2.29 -0.87 0.90 -3.98 114.94 108.86 1wg7 s ASN 56 Ca 0.28 0.73 -0.20 0.00 -1.57 0.00 0.00 52.86 52.10 1wg7 s ASN 56 Cb -0.02 0.61 0.07 0.00 -0.02 0.00 0.00 41.25 41.89 1wg7 s ASN 56 CO 0.13 -0.18 0.74 -0.22 -2.57 0.00 0.00 177.10 174.99 1wg7 s LEU 57 N 1.35 4.84 -0.27 0.60 2.96 -1.15 -1.22 118.68 125.79 1wg7 s LEU 57 Ca -0.09 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.75 1wg7 s LEU 57 Cb -0.09 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1wg7 s LEU 57 CO -0.11 -1.07 0.24 0.20 -1.32 0.00 0.00 176.35 174.30 1wg7 s ASN 58 N 3.05 6.11 -0.20 3.68 0.01 -0.78 -0.43 114.94 126.37 1wg7 s ASN 58 Ca 0.18 0.10 -0.09 0.00 -0.71 0.00 0.00 52.86 52.34 1wg7 s ASN 58 Cb -0.19 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1wg7 s ASN 58 CO 0.12 -0.08 0.11 0.72 -1.51 0.00 0.00 177.10 176.46 1wg7 s PHE 59 N 1.76 3.32 0.38 2.20 -0.71 -0.75 -1.08 117.98 123.10 1wg7 s PHE 59 Ca 0.10 0.18 0.08 0.00 -1.04 0.00 0.00 56.93 56.24 1wg7 s PHE 59 Cb -0.16 -2.15 -0.02 0.00 -1.21 0.00 0.00 43.02 39.48 1wg7 s PHE 59 CO 0.10 0.17 0.34 0.71 -1.34 0.00 0.00 175.22 175.20 1wg7 s TYR 60 N 0.54 2.78 0.24 3.49 1.51 0.43 -1.10 117.35 125.24 1wg7 s TYR 60 Ca 0.06 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1wg7 s TYR 60 Cb -0.12 -2.01 0.26 0.00 -0.11 0.00 0.00 41.96 39.98 1wg7 s TYR 60 CO 0.00 0.01 1.56 1.57 -1.11 0.00 0.00 175.55 177.59 1wg7 h LYS 61 N 1.13 0.20 -4.68 -0.62 2.10 -1.92 -0.69 116.57 112.10 1wg7 h LYS 61 Ca -0.43 -0.14 -0.33 0.00 -2.00 0.00 0.00 60.65 57.76 1wg7 h LYS 61 Cb 1.26 0.02 -0.14 0.00 -0.90 0.00 0.00 32.23 32.47 1wg7 h LYS 61 CO 0.58 0.75 -0.55 -0.51 -2.00 0.00 0.00 179.45 177.72 1wg7 s ASP 62 N -6.89 0.76 0.06 7.07 1.01 -1.26 -4.42 116.67 113.00 1wg7 s ASP 62 Ca -0.03 -1.53 -0.24 0.00 0.71 0.00 0.00 52.55 51.46 1wg7 s ASP 62 Cb 0.12 0.46 -0.11 0.00 1.01 0.00 0.00 42.92 44.40 1wg7 s ASP 62 CO 0.79 -0.95 1.38 -0.33 0.21 0.00 0.00 175.17 176.27 1wg7 h GLU 63 N 2.41 -0.57 -4.59 8.23 5.08 -1.93 -3.40 114.58 119.81 1wg7 h GLU 63 Ca -0.31 0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.59 1wg7 h GLU 63 Cb 1.24 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.55 1wg7 h GLU 63 CO 0.46 -0.38 1.46 1.63 -1.00 0.00 0.00 179.01 181.17 1wg7 n LYS 64 N -4.48 0.00 0.00 2.33 4.01 -1.26 -4.84 118.16 113.91 1wg7 n LYS 64 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1wg7 n LYS 64 Cb 0.30 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1wg7 n LYS 64 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1wg7 n ILE 65 N 6.38 0.00 0.00 -0.18 -5.35 -1.26 -4.70 119.36 114.25 1wg7 n ILE 65 Ca 0.56 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.04 1wg7 n ILE 65 Cb 0.01 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 -3.12 7.28 2.88 -1.26 -4.88 113.62 114.51 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 -1.36 -2.51 -1.46 4.76 -1.26 -4.87 118.16 111.46 1wg7 n LYS 67 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1wg7 n LYS 67 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 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 -2.43 4.28 0.54 1.97 2.02 -1.26 -5.01 118.70 118.81 1wg7 s GLU 68 Ca 0.00 1.57 -0.18 0.00 0.02 0.00 0.00 54.97 56.38 1wg7 s GLU 68 Cb 0.00 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.49 1wg7 s GLU 68 CO 0.00 -0.60 1.04 -1.25 0.02 0.00 0.00 175.26 174.47 1wg7 s PRO 69 N 3.05 3.58 0.48 0.39 0.04 -1.26 -4.93 135.00 136.35 1wg7 s PRO 69 Ca 0.52 1.26 0.14 0.00 0.04 0.00 0.00 61.00 62.95 1wg7 s PRO 69 Cb -0.20 -2.07 1.13 0.00 0.04 0.00 0.00 34.50 33.40 1wg7 s PRO 69 CO 0.14 -0.60 2.10 0.87 0.04 0.00 0.00 177.00 179.55 1wg7 h LYS 70 N 0.98 0.20 -1.18 4.56 1.79 -1.46 -3.46 116.57 117.99 1wg7 h LYS 70 Ca -0.48 -0.01 0.37 0.00 -2.18 0.00 0.00 60.65 58.35 1wg7 h LYS 70 Cb 1.22 -0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 31.69 1wg7 h LYS 70 CO 0.58 0.13 0.94 0.20 -1.08 0.00 0.00 179.45 180.22 1wg7 s GLY 71 N -3.92 -0.47 -0.04 3.86 0.00 -1.21 -5.02 107.32 100.51 1wg7 s GLY 71 Ca -0.06 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1wg7 s GLY 71 CO 0.70 0.26 -0.04 -1.35 0.00 0.00 0.00 173.10 172.67 1wg7 s SER 72 N -3.01 0.81 -0.06 1.64 1.04 -1.26 -1.81 113.70 111.05 1wg7 s SER 72 Ca 0.15 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 1wg7 s SER 72 Cb 0.07 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 1wg7 s SER 72 CO -0.06 -0.06 0.86 -0.63 0.98 0.00 0.00 173.24 174.34 1wg7 s ILE 73 N 0.90 4.92 -1.32 -1.02 1.01 0.42 -4.89 121.20 121.23 1wg7 s ILE 73 Ca -0.11 1.78 -0.15 0.00 0.00 0.00 0.00 60.65 62.17 1wg7 s ILE 73 Cb -0.14 -4.19 0.10 0.00 0.01 0.00 0.00 42.46 38.23 1wg7 s ILE 73 CO -0.00 0.15 1.82 0.49 0.00 0.00 0.00 174.94 177.40 1wg7 n PHE 74 N 4.19 4.21 -0.18 3.97 3.01 -1.26 -2.91 117.46 128.49 1wg7 n PHE 74 Ca 0.04 -2.98 0.28 0.00 1.01 0.00 0.00 57.45 55.80 1wg7 n PHE 74 Cb 0.51 -2.43 0.72 0.00 -0.01 0.00 0.00 39.48 38.27 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 10.67 0.01 -2.86 4.37 3.38 -1.93 1.64 115.31 130.58 1wg7 h LEU 75 Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wg7 h LEU 75 Cb 0.78 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wg7 h LEU 75 CO 1.54 0.00 -0.00 -0.78 0.09 0.00 0.00 178.44 179.30 1wg7 h ASP 76 N 0.01 0.00 0.00 -0.43 3.58 -1.86 -2.44 116.42 115.28 1wg7 h ASP 76 Ca 0.42 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.59 1wg7 h ASP 76 Cb 1.69 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.68 1wg7 h ASP 76 CO -0.01 0.00 -2.08 -1.20 -2.88 0.00 0.00 179.24 173.07 1wg7 n SER 77 N -3.09 2.29 -4.02 2.28 7.64 0.54 -5.00 113.62 114.24 1wg7 n SER 77 Ca -0.03 -0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.34 1wg7 n SER 77 Cb 0.09 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n MET 79 N 0.99 0.68 0.00 0.00 0.00 0.37 -4.85 117.12 114.31 1wg7 n MET 79 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 57.70 58.00 1wg7 n MET 79 Cb 0.26 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1wg7 n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wg7 n GLY 80 N 2.02 1.11 3.80 3.03 0.00 -1.17 -5.01 105.19 108.97 1wg7 n GLY 80 Ca -0.37 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 5.03 0.33 1.61 1.01 -1.26 -1.30 120.40 123.82 1wg7 s VAL 81 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1wg7 s VAL 81 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1wg7 s VAL 81 CO 0.00 0.60 -0.05 0.68 0.00 0.00 0.00 175.10 176.33 1wg7 s VAL 82 N -0.99 2.50 -0.27 2.92 -7.23 -0.07 -4.98 120.40 112.27 1wg7 s VAL 82 Ca 0.15 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1wg7 s VAL 82 Cb -0.12 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1wg7 s VAL 82 CO 0.04 -0.22 0.21 -1.10 -0.31 0.00 0.00 175.10 173.72 1wg7 s GLN 83 N -3.66 3.97 -0.52 4.82 -0.21 -1.26 -2.24 119.66 120.56 1wg7 s GLN 83 Ca 0.33 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.48 1wg7 s GLN 83 Cb 0.00 -3.64 0.14 0.00 1.00 0.00 0.00 33.01 30.51 1wg7 s GLN 83 CO 0.18 -0.16 0.29 1.21 -2.12 0.00 0.00 175.29 174.69 1wg7 s ASN 84 N 1.66 4.14 -0.41 5.90 2.47 0.83 -4.89 114.94 124.64 1wg7 s ASN 84 Ca 0.08 -3.04 0.01 0.00 0.42 0.00 0.00 52.86 50.33 1wg7 s ASN 84 Cb -0.16 -1.45 0.42 0.00 -1.45 0.00 0.00 41.25 38.61 1wg7 s ASN 84 CO 0.10 -0.22 1.84 -0.46 -3.72 0.00 0.00 177.10 174.65 1wg7 n ASN 85 N 3.04 5.22 -0.02 -4.21 0.23 -1.25 -3.24 115.26 115.03 1wg7 n ASN 85 Ca 0.09 -3.30 -0.02 0.00 -0.53 0.00 0.00 54.58 50.82 1wg7 n ASN 85 Cb 0.34 -0.88 -0.01 0.00 -2.08 0.00 0.00 39.78 37.15 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wg7 n LYS 86 N -0.51 0.09 0.28 -3.83 4.01 -1.26 -4.68 118.16 112.26 1wg7 n LYS 86 Ca 0.45 0.04 -0.17 0.00 -0.51 0.00 0.00 58.31 58.12 1wg7 n LYS 86 Cb 1.02 -0.63 -0.09 0.00 -0.51 0.00 0.00 35.03 34.81 1wg7 n LYS 86 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1wg7 h VAL 87 N -0.18 0.13 -4.01 -0.18 -1.51 -1.94 -3.43 116.25 105.12 1wg7 h VAL 87 Ca 0.00 0.00 -0.44 0.00 -1.23 0.00 0.00 66.70 65.03 1wg7 h VAL 87 Cb 0.18 0.13 -0.24 0.00 -2.13 0.00 0.00 31.29 29.22 1wg7 h VAL 87 CO 0.00 0.00 -0.79 -0.13 -1.23 0.00 0.00 177.57 175.42 1wg7 s ARG 88 N -5.94 0.90 0.46 5.19 0.52 -1.26 -5.02 118.95 113.81 1wg7 s ARG 88 Ca -0.18 -0.82 0.26 0.00 -0.52 0.00 0.00 55.73 54.47 1wg7 s ARG 88 Cb 0.05 -0.91 1.29 0.00 0.52 0.00 0.00 34.95 35.89 1wg7 s ARG 88 CO 0.62 0.22 1.81 0.00 0.02 0.00 0.00 175.30 177.96 1wg7 h ARG 89 N 4.73 0.22 -2.32 3.54 2.47 -1.85 -2.76 114.38 118.42 1wg7 h ARG 89 Ca -0.39 -0.01 -0.59 0.00 -1.26 0.00 0.00 59.98 57.73 1wg7 h ARG 89 Cb 1.18 -0.05 -0.41 0.00 -1.65 0.00 0.00 29.97 29.05 1wg7 h ARG 89 CO 0.43 0.14 -0.78 1.19 0.56 0.00 0.00 179.97 181.51 1wg7 n PHE 90 N -4.44 1.90 -4.27 3.04 3.72 -1.26 -4.71 117.46 111.43 1wg7 n PHE 90 Ca 0.24 -3.92 -0.21 0.00 -0.05 0.00 0.00 57.45 53.51 1wg7 n PHE 90 Cb 0.98 -0.41 -0.16 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.63 0.81 0.03 4.37 0.00 -1.04 -2.06 121.76 122.24 1wg7 s ALA 91 Ca 0.35 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1wg7 s ALA 91 Cb 0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1wg7 s ALA 91 CO -0.09 0.03 -0.24 -0.59 0.00 0.00 0.00 175.76 174.87 1wg7 s PHE 92 N 0.83 2.12 -0.07 0.00 -0.71 0.42 -0.12 117.98 120.45 1wg7 s PHE 92 Ca -0.12 -0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 55.30 1wg7 s PHE 92 Cb -0.15 -1.30 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1wg7 s PHE 92 CO 0.01 0.07 0.18 -2.00 -1.34 0.00 0.00 175.22 172.14 1wg7 s GLU 93 N -1.02 3.49 -0.44 1.99 2.12 -0.95 -0.57 118.70 123.32 1wg7 s GLU 93 Ca 0.10 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.16 1wg7 s GLU 93 Cb -0.09 -3.16 0.05 0.00 0.26 0.00 0.00 34.13 31.19 1wg7 s GLU 93 CO 0.01 0.74 0.35 -0.51 -0.54 0.00 0.00 175.26 175.30 1wg7 s LEU 94 N -1.30 5.37 -0.59 2.70 2.01 0.13 -0.89 118.68 126.11 1wg7 s LEU 94 Ca 0.20 -1.17 -0.28 0.00 0.01 0.00 0.00 54.13 52.89 1wg7 s LEU 94 Cb -0.13 -2.16 0.01 0.00 0.01 0.00 0.00 46.19 43.93 1wg7 s LEU 94 CO 0.09 -0.56 1.42 -0.54 1.01 0.00 0.00 176.35 177.77 1wg7 s LYS 95 N 1.64 3.25 0.56 1.70 -0.14 -0.42 -2.00 119.74 124.32 1wg7 s LYS 95 Ca 0.04 0.38 -0.01 0.00 -1.36 0.00 0.00 55.97 55.02 1wg7 s LYS 95 Cb -0.22 -4.15 0.03 0.00 -1.68 0.00 0.00 37.83 31.81 1wg7 s LYS 95 CO 0.08 -2.01 0.80 -1.64 -0.76 0.00 0.00 175.35 171.82 1wg7 s MET 96 N 5.62 2.61 -0.01 1.68 -1.94 -0.84 0.14 119.30 126.56 1wg7 s MET 96 Ca 0.51 -0.59 0.19 0.00 -1.71 0.00 0.00 55.69 54.09 1wg7 s MET 96 Cb -0.10 -2.43 -0.25 0.00 2.01 0.00 0.00 34.83 34.05 1wg7 s MET 96 CO 0.23 -0.72 0.60 0.00 -0.01 0.00 0.00 175.02 175.13 1wg7 n GLN 97 N -2.40 0.75 -1.03 2.03 10.64 -1.23 -4.41 117.38 121.72 1wg7 n GLN 97 Ca 0.07 -0.09 -0.17 0.00 -1.83 0.00 0.00 57.00 54.98 1wg7 n GLN 97 Cb 0.59 -1.41 -0.02 0.00 -0.86 0.00 0.00 30.24 28.54 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wg7 n ASP 98 N -1.79 6.18 -3.17 2.61 -0.08 -1.26 -4.84 116.55 114.19 1wg7 n ASP 98 Ca 0.00 -2.95 -0.11 0.00 -1.51 0.00 0.00 54.79 50.22 1wg7 n ASP 98 Cb 0.39 -1.16 0.01 0.00 2.34 0.00 0.00 41.12 42.70 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 0.92 -1.37 0.00 -0.67 4.76 -1.26 -4.96 118.16 115.57 1wg7 n LYS 99 Ca 0.33 1.37 0.00 0.00 -2.87 0.00 0.00 58.31 57.14 1wg7 n LYS 99 Cb 0.60 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 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 0.69 0.00 -3.64 4.39 2.88 -1.26 -5.08 113.62 111.61 1wg7 n SER 100 Ca -0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1wg7 n SER 100 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 -0.59 0.42 -3.46 1.04 -1.26 -1.98 113.70 107.87 1wg7 s SER 101 Ca 0.00 1.12 0.04 0.00 0.48 0.00 0.00 55.95 57.59 1wg7 s SER 101 Cb 0.00 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1wg7 s SER 101 CO 0.00 -0.19 0.59 -0.31 0.98 0.00 0.00 173.24 174.31 1wg7 s TYR 102 N 0.43 3.04 -0.32 5.02 2.02 -0.85 -4.19 117.35 122.50 1wg7 s TYR 102 Ca 0.01 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1wg7 s TYR 102 Cb -0.05 -2.28 0.10 0.00 -0.40 0.00 0.00 41.96 39.33 1wg7 s TYR 102 CO -0.05 -0.33 0.08 -1.17 -1.57 0.00 0.00 175.55 172.52 1wg7 s LEU 103 N -4.41 2.88 -0.24 -1.29 0.20 -1.26 0.19 118.68 114.75 1wg7 s LEU 103 Ca 0.50 -1.76 -0.08 0.00 0.69 0.00 0.00 54.13 53.47 1wg7 s LEU 103 Cb -0.10 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.56 1wg7 s LEU 103 CO 0.34 -0.40 0.10 -0.76 -0.29 0.00 0.00 176.35 175.34 1wg7 s LEU 104 N 1.43 3.69 -0.04 -0.68 1.02 0.27 -0.54 118.68 123.83 1wg7 s LEU 104 Ca 0.10 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.21 1wg7 s LEU 104 Cb -0.18 -1.99 -0.00 0.00 0.02 0.00 0.00 46.19 44.05 1wg7 s LEU 104 CO -0.21 0.01 -0.15 0.00 0.02 0.00 0.00 176.35 176.02 1wg7 s ALA 105 N 1.33 1.41 0.58 4.21 0.00 -0.57 -0.43 121.76 128.28 1wg7 s ALA 105 Ca 0.06 -0.61 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1wg7 s ALA 105 Cb -0.15 -0.49 0.09 0.00 0.00 0.00 0.00 23.12 22.58 1wg7 s ALA 105 CO 0.05 0.24 0.77 0.00 0.00 0.00 0.00 175.76 176.82 1wg7 n ALA 106 N 3.23 1.21 -0.00 0.00 0.00 -0.87 -1.50 120.51 122.57 1wg7 n ALA 106 Ca -0.19 -2.10 -0.06 0.00 0.00 0.00 0.00 53.44 51.09 1wg7 n ALA 106 Cb 0.53 0.59 -0.12 0.00 0.00 0.00 0.00 19.45 20.45 1wg7 n ALA 106 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1wg7 h ASP 107 N 0.14 0.00 -4.08 0.00 1.82 -1.87 -3.45 116.42 108.98 1wg7 h ASP 107 Ca -0.28 0.00 -0.40 0.00 -0.39 0.00 0.00 57.03 55.96 1wg7 h ASP 107 Cb 1.25 0.00 -0.18 0.00 0.68 0.00 0.00 39.33 41.08 1wg7 h ASP 107 CO 0.40 0.89 -0.75 -0.44 -1.61 0.00 0.00 179.24 177.72 1wg7 s SER 108 N -6.05 1.92 0.20 2.28 0.01 -1.26 -5.02 113.70 105.79 1wg7 s SER 108 Ca -0.04 -0.82 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 1wg7 s SER 108 Cb 0.08 -0.06 0.23 0.00 0.21 0.00 0.00 66.02 66.49 1wg7 s SER 108 CO 0.82 -0.17 1.64 1.05 0.41 0.00 0.00 173.24 176.99 1wg7 h GLU 109 N 3.48 0.03 0.08 12.44 4.11 -1.94 0.83 114.58 133.61 1wg7 h GLU 109 Ca -0.39 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1wg7 h GLU 109 Cb 1.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1wg7 h GLU 109 CO 0.52 0.02 -0.22 -0.24 0.07 0.00 0.00 179.01 179.15 1wg7 h VAL 110 N 0.03 0.00 -0.66 -1.06 3.04 -1.97 1.72 116.25 117.35 1wg7 h VAL 110 Ca 0.29 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 66.17 1wg7 h VAL 110 Cb 0.45 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.71 1wg7 h VAL 110 CO -0.58 0.00 0.75 -0.33 -1.01 0.00 0.00 177.57 176.41 1wg7 h GLU 111 N -0.34 0.00 0.06 4.17 5.08 -1.81 1.55 114.58 123.29 1wg7 h GLU 111 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1wg7 h GLU 111 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1wg7 h GLU 111 CO -0.10 0.00 -1.57 1.98 -1.00 0.00 0.00 179.01 178.32 1wg7 h MET 112 N 0.00 0.13 0.19 2.33 4.05 0.17 -3.33 114.93 118.47 1wg7 h MET 112 Ca 0.31 -0.21 -0.31 0.00 -0.28 0.00 0.00 59.70 59.21 1wg7 h MET 112 Cb 1.82 0.08 0.02 0.00 -0.80 0.00 0.00 31.60 32.72 1wg7 h MET 112 CO -0.00 0.89 -1.40 1.05 0.23 0.00 0.00 176.91 177.68 1wg7 h GLU 113 N 0.03 0.40 -0.13 0.39 4.11 1.15 -2.90 114.58 117.63 1wg7 h GLU 113 Ca -0.24 -0.68 0.03 0.00 0.07 0.00 0.00 59.36 58.54 1wg7 h GLU 113 Cb 1.98 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 31.42 1wg7 h GLU 113 CO 0.12 1.32 -0.53 0.93 0.07 0.00 0.00 179.01 180.92 1wg7 h GLU 114 N 0.11 -0.56 0.47 1.06 5.08 0.15 -0.02 114.58 120.87 1wg7 h GLU 114 Ca -0.21 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1wg7 h GLU 114 Cb 2.07 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1wg7 h GLU 114 CO 0.23 -0.37 -0.24 -1.49 -1.00 0.00 0.00 179.01 176.15 1wg7 h TRP 115 N -0.58 -0.61 -1.48 4.33 4.06 -1.70 0.97 115.95 120.94 1wg7 h TRP 115 Ca 0.04 -0.01 0.46 0.00 2.06 0.00 0.00 58.89 61.43 1wg7 h TRP 115 Cb 0.68 0.21 -0.09 0.00 -1.00 0.00 0.00 29.16 28.95 1wg7 h TRP 115 CO -0.57 -0.38 1.02 -0.89 -3.56 0.00 0.00 178.44 174.06 1wg7 n ILE 116 N -5.37 -0.10 -0.03 1.49 5.41 -0.84 0.92 119.36 120.83 1wg7 n ILE 116 Ca -0.12 1.40 -0.01 0.00 1.00 0.00 0.00 62.75 65.02 1wg7 n ILE 116 Cb 0.28 -2.32 -0.00 0.00 -0.71 0.00 0.00 39.64 36.88 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 -1.00 1.39 2.02 0.26 -3.04 112.91 112.54 1wg7 h THR 117 Ca 0.79 -0.45 0.27 0.00 0.77 0.00 0.00 66.41 67.79 1wg7 h THR 117 Cb 2.91 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 69.13 1wg7 h THR 117 CO -0.18 0.00 -0.00 0.40 0.37 0.00 0.00 175.52 176.10 1wg7 h ILE 118 N -0.45 0.00 0.05 3.11 5.03 0.15 3.22 117.51 128.63 1wg7 h ILE 118 Ca 0.00 -0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1wg7 h ILE 118 Cb 0.14 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.94 1wg7 h ILE 118 CO 0.00 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.37 1wg7 h LEU 119 N 0.00 -0.07 -1.33 1.44 4.07 0.36 0.73 115.31 120.51 1wg7 h LEU 119 Ca 0.59 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.56 1wg7 h LEU 119 Cb 1.20 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1wg7 h LEU 119 CO -0.94 -0.05 0.14 -0.55 -1.08 0.00 0.00 178.44 175.96 1wg7 h ASN 120 N -0.07 0.00 0.39 -0.43 7.08 -0.91 0.08 115.58 121.71 1wg7 h ASN 120 Ca -0.01 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 1wg7 h ASN 120 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 1wg7 h ASN 120 CO 0.01 0.00 -0.19 0.50 -2.08 0.00 0.00 177.43 175.67 1wg7 h LYS 121 N 0.00 -0.50 -0.84 4.14 1.63 0.67 -2.74 116.57 118.93 1wg7 h LYS 121 Ca 0.00 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1wg7 h LYS 121 Cb 0.28 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1wg7 h LYS 121 CO 0.00 -0.33 0.49 0.82 -3.45 0.00 0.00 179.45 176.97 1wg7 h ILE 122 N -1.11 1.24 -0.86 2.00 5.03 0.22 0.01 117.51 124.04 1wg7 h ILE 122 Ca -0.05 -0.55 0.22 0.00 -0.12 0.00 0.00 64.86 64.35 1wg7 h ILE 122 Cb 0.40 0.08 -0.05 0.00 -3.03 0.00 0.00 36.82 34.22 1wg7 h ILE 122 CO 0.09 0.26 0.59 -0.07 -0.68 0.00 0.00 178.15 178.33 1wg7 h LEU 123 N 1.16 0.22 0.06 1.44 4.07 -1.11 1.63 115.31 122.78 1wg7 h LEU 123 Ca 0.30 0.02 -0.28 0.00 0.08 0.00 0.00 57.88 58.00 1wg7 h LEU 123 Cb -0.02 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1wg7 h LEU 123 CO -0.05 0.09 -1.44 1.56 -1.08 0.00 0.00 178.44 177.52 1wg7 h GLN 124 N 0.22 0.13 -0.04 1.13 4.20 -0.83 -3.26 115.11 116.67 1wg7 h GLN 124 Ca 0.43 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1wg7 h GLN 124 Cb 1.33 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1wg7 h GLN 124 CO -0.10 0.96 -0.66 -0.07 -0.67 0.00 0.00 178.83 178.29 1wg7 h LEU 125 N 0.04 0.22 -1.45 1.46 3.38 0.15 -2.81 115.31 116.29 1wg7 h LEU 125 Ca -0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1wg7 h LEU 125 Cb 1.95 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1wg7 h LEU 125 CO 0.14 0.81 -0.01 0.78 0.09 0.00 0.00 178.44 180.25 1wg7 h ASN 126 N 0.13 0.31 -0.32 -0.43 2.35 0.21 0.55 115.58 118.38 1wg7 h ASN 126 Ca -0.01 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1wg7 h ASN 126 Cb 1.18 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1wg7 h ASN 126 CO 0.10 0.38 -0.26 0.15 -1.65 0.00 0.00 177.43 176.15 1wg7 h PHE 127 N 0.33 0.95 0.00 1.19 3.04 -1.54 -1.32 116.94 119.60 1wg7 h PHE 127 Ca 0.08 -0.23 -0.08 0.00 3.98 0.00 0.00 57.97 61.71 1wg7 h PHE 127 Cb 0.25 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1wg7 h PHE 127 CO 0.01 0.99 -0.60 0.93 -2.02 0.00 0.00 178.31 177.62 1wg7 h GLU 128 N 0.71 0.00 -0.25 1.11 5.08 -1.27 -3.26 114.58 116.70 1wg7 h GLU 128 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1wg7 h GLU 128 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1wg7 h GLU 128 CO 0.07 0.32 -0.52 0.00 -1.00 0.00 0.00 179.01 177.87 1wg7 h ALA 129 N 1.63 0.40 -0.55 3.43 0.00 0.30 -1.43 119.26 123.04 1wg7 h ALA 129 Ca -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1wg7 h ALA 129 Cb 1.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1wg7 h ALA 129 CO 0.04 0.60 0.28 0.00 0.00 0.00 0.00 179.25 180.17 1wg7 h ALA 130 N 0.64 0.72 0.00 0.00 0.00 -1.30 0.67 119.26 119.99 1wg7 h ALA 130 Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wg7 h ALA 130 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1wg7 h ALA 130 CO 0.12 -0.07 -0.21 0.52 0.00 0.00 0.00 179.25 179.61 1wg7 h MET 131 N 0.54 0.00 0.19 0.00 2.07 -1.58 -0.08 114.93 116.06 1wg7 h MET 131 Ca 0.25 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.57 1wg7 h MET 131 Cb 0.16 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 29.92 1wg7 h MET 131 CO -0.18 0.21 -1.37 1.96 1.07 0.00 0.00 176.91 178.61 1wg7 h GLN 132 N 0.00 0.46 -0.02 1.72 4.20 0.17 -3.30 115.11 118.35 1wg7 h GLN 132 Ca -0.00 -0.76 -0.20 0.00 0.06 0.00 0.00 58.65 57.75 1wg7 h GLN 132 Cb 0.71 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1wg7 h GLN 132 CO 0.03 1.36 -0.86 0.93 -0.67 0.00 0.00 178.83 179.62 1wg7 h GLU 133 N 0.14 0.31 -0.83 1.46 5.08 0.43 0.78 114.58 121.96 1wg7 h GLU 133 Ca -0.21 -0.32 0.19 0.00 -1.00 0.00 0.00 59.36 58.03 1wg7 h GLU 133 Cb 2.06 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 31.25 1wg7 h GLU 133 CO 0.25 1.00 -0.04 -0.22 -1.00 0.00 0.00 179.01 179.00 1wg7 h LYS 134 N 0.19 0.06 0.00 2.33 3.64 -1.09 0.19 116.57 121.89 1wg7 h LYS 134 Ca -0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1wg7 h LYS 134 Cb 1.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1wg7 h LYS 134 CO 0.14 0.04 -1.49 0.54 -2.27 0.00 0.00 179.45 176.41 1wg7 n ARG 135 N -5.42 0.57 -3.22 1.90 5.12 -1.22 -5.03 116.66 109.36 1wg7 n ARG 135 Ca 0.15 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.92 1wg7 n ARG 135 Cb 0.52 -1.64 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 1wg7 n ARG 135 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1wg7 n ASN 136 N -2.34 -6.12 -3.31 0.55 4.05 0.67 -4.61 115.26 104.16 1wg7 n ASN 136 Ca -0.02 0.24 -0.29 0.00 0.45 0.00 0.00 54.58 54.96 1wg7 n ASN 136 Cb 0.54 -1.54 -0.02 0.00 1.23 0.00 0.00 39.78 39.98 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wg7 n GLY 137 N 0.89 3.25 3.66 8.20 0.00 -1.25 -4.74 105.19 115.19 1wg7 n GLY 137 Ca -0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1wg7 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wg7 s ASP 138 N 3.52 -0.27 -1.20 1.61 -1.08 -1.26 -5.03 116.67 112.95 1wg7 s ASP 138 Ca 0.47 -0.54 -0.19 0.00 -0.52 0.00 0.00 52.55 51.78 1wg7 s ASP 138 Cb 0.12 0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 42.21 1wg7 s ASP 138 CO -0.01 -1.18 1.95 -1.20 0.52 0.00 0.00 175.17 175.25 1wg7 n SER 139 N -0.40 3.73 -1.23 -0.34 7.64 -1.26 -4.71 113.62 117.05 1wg7 n SER 139 Ca -0.07 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1wg7 n SER 139 Cb 0.61 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1wg7 n SER 139 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wg7 n HIS 140 N 8.83 -3.32 0.00 1.43 8.25 -1.26 -5.08 115.22 124.07 1wg7 n HIS 140 Ca 0.49 1.75 0.00 0.00 -0.26 0.00 0.00 57.72 59.70 1wg7 n HIS 140 Cb 0.43 -2.94 0.00 0.00 1.12 0.00 0.00 29.99 28.60 1wg7 n HIS 140 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wg7 n GLU 141 N -0.53 0.00 -3.23 -0.41 -0.58 -1.26 -5.15 120.64 109.48 1wg7 n GLU 141 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1wg7 n GLU 141 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1wg7 n GLU 141 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wg7 n ASP 142 N 0.00 0.07 0.00 1.62 8.00 -1.26 -4.54 116.55 120.43 1wg7 n ASP 142 Ca 0.00 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1wg7 n ASP 142 Cb 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1wg7 n ASP 142 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wg7 n ASP 143 N -2.14 0.00 -3.68 -2.24 2.03 -0.13 -4.76 116.55 105.64 1wg7 n ASP 143 Ca 0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.11 1wg7 n ASP 143 Cb 0.33 0.00 -0.18 0.00 -0.72 0.00 0.00 41.12 40.55 1wg7 n ASP 143 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1wg7 s GLU 144 N 1.24 0.08 0.00 -0.67 1.03 -1.26 -2.39 118.70 116.74 1wg7 s GLU 144 Ca 0.00 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.21 1wg7 s GLU 144 Cb 0.00 -0.92 0.00 0.00 -0.80 0.00 0.00 34.13 32.41 1wg7 s GLU 144 CO 0.00 -0.41 0.00 0.43 -1.33 0.00 0.00 175.26 173.95 1wg7 n SER 145 N 5.26 0.00 -0.25 0.83 7.64 -1.26 -5.03 113.62 120.81 1wg7 n SER 145 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1wg7 n SER 145 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 146 N -0.22 -0.41 1.31 0.23 0.00 -1.26 -4.88 105.19 99.97 1wg7 n GLY 146 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1wg7 n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg7 n PRO 147 N 0.58 -1.11 -3.39 1.61 -0.04 -1.26 -5.10 135.00 126.28 1wg7 n PRO 147 Ca 0.00 -0.68 0.03 0.00 -0.04 0.00 0.00 63.50 62.81 1wg7 n PRO 147 Cb 0.00 -0.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 1wg7 n PRO 147 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg7 s SER 148 N -2.65 -0.01 -0.29 3.54 0.15 -1.26 -5.17 113.70 108.01 1wg7 s SER 148 Ca 0.26 0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.70 1wg7 s SER 148 Cb -0.02 1.01 0.14 0.00 -1.71 0.00 0.00 66.02 65.45 1wg7 s SER 148 CO 0.19 -0.00 1.11 -0.94 1.20 0.00 0.00 173.24 174.79 1wg7 s SER 149 N 1.53 -0.37 0.00 5.45 1.04 -1.26 -5.31 113.70 114.77 1wg7 s SER 149 Ca -0.03 0.68 0.17 0.00 0.48 0.00 0.00 55.95 57.25 1wg7 s SER 149 Cb -0.01 0.82 0.14 0.00 0.10 0.00 0.00 66.02 67.07 1wg7 s SER 149 CO -0.13 -0.11 1.05 0.61 0.98 0.00 0.00 173.24 175.64