#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 -0.22 0.14 1.61 0.01 -1.26 -5.06 113.70 108.92 1wg7 s SER 2 Ca 0.00 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 1wg7 s SER 2 Cb 0.00 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 1wg7 s SER 2 CO 0.00 -0.76 0.23 -0.94 0.41 0.00 0.00 173.24 172.18 1wg7 s SER 3 N -2.47 0.09 0.33 2.44 1.04 -1.26 -4.88 113.70 108.99 1wg7 s SER 3 Ca -0.00 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 55.63 1wg7 s SER 3 Cb 0.01 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 1wg7 s SER 3 CO -0.08 -0.84 -0.03 -0.83 0.98 0.00 0.00 173.24 172.44 1wg7 s GLY 4 N -2.95 2.08 -0.41 7.32 0.00 -1.26 -5.12 107.32 106.98 1wg7 s GLY 4 Ca 0.15 -2.05 0.02 0.00 0.00 0.00 0.00 44.72 42.84 1wg7 s GLY 4 CO -0.02 -1.92 0.25 -1.35 0.00 0.00 0.00 173.10 170.06 1wg7 s SER 5 N -3.54 3.04 0.00 1.64 1.04 -1.26 -5.08 113.70 109.54 1wg7 s SER 5 Ca 0.32 -2.55 0.00 0.00 0.48 0.00 0.00 55.95 54.20 1wg7 s SER 5 Cb 0.06 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.50 1wg7 s SER 5 CO 0.15 -0.26 0.00 -1.20 0.98 0.00 0.00 173.24 172.90 1wg7 n SER 6 N 3.59 0.00 -3.37 7.02 7.64 -1.26 -5.04 113.62 122.20 1wg7 n SER 6 Ca 0.14 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 1wg7 n SER 6 Cb 0.38 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1wg7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 7 N -0.08 4.44 2.86 0.23 0.00 -1.26 -4.73 105.19 106.65 1wg7 n GLY 7 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 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 1.62 3.25 -0.83 4.61 0.00 -1.26 -5.03 121.76 124.11 1wg7 s ALA 8 Ca 0.66 -3.37 -0.15 0.00 0.00 0.00 0.00 51.96 49.09 1wg7 s ALA 8 Cb 0.18 -2.09 0.19 0.00 0.00 0.00 0.00 23.12 21.40 1wg7 s ALA 8 CO -0.07 -2.06 0.84 0.00 0.00 0.00 0.00 175.76 174.47 1wg7 s ALA 9 N -0.67 3.88 -0.13 0.00 0.00 -1.26 -5.02 121.76 118.55 1wg7 s ALA 9 Ca 0.21 -3.13 -0.07 0.00 0.00 0.00 0.00 51.96 48.98 1wg7 s ALA 9 Cb -0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1wg7 s ALA 9 CO -0.08 -2.43 0.11 0.45 0.00 0.00 0.00 175.76 173.81 1wg7 s SER 10 N 2.60 6.13 0.20 0.00 0.15 -1.26 -5.10 113.70 116.42 1wg7 s SER 10 Ca 0.20 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1wg7 s SER 10 Cb -0.10 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1wg7 s SER 10 CO -0.08 0.35 0.06 -0.76 1.20 0.00 0.00 173.24 174.01 1wg7 s LEU 11 N -0.67 1.75 0.00 3.45 1.43 -1.26 -5.01 118.68 118.37 1wg7 s LEU 11 Ca 0.13 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1wg7 s LEU 11 Cb -0.12 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.18 1wg7 s LEU 11 CO 0.02 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.53 1wg7 n GLY 12 N -0.31 0.81 2.66 -3.19 0.00 -1.26 -5.12 105.19 98.77 1wg7 n GLY 12 Ca -0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 13 N -2.00 1.56 -0.06 1.61 1.04 -1.26 -5.13 113.70 109.45 1wg7 s SER 13 Ca 0.00 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 1wg7 s SER 13 Cb 0.00 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1wg7 s SER 13 CO 0.00 -0.28 0.36 -1.10 0.98 0.00 0.00 173.24 173.20 1wg7 s GLN 14 N 2.14 3.99 0.65 4.02 -1.52 -1.26 -5.07 119.66 122.62 1wg7 s GLN 14 Ca 0.04 0.29 -0.13 0.00 -1.95 0.00 0.00 55.36 53.61 1wg7 s GLN 14 Cb -0.13 -3.29 -0.01 0.00 -0.22 0.00 0.00 33.01 29.36 1wg7 s GLN 14 CO -0.05 0.53 1.06 0.15 -0.25 0.00 0.00 175.29 176.73 1wg7 s LYS 15 N -0.51 3.04 0.00 2.91 -0.14 -1.26 -4.88 119.74 118.91 1wg7 s LYS 15 Ca 0.21 1.11 0.00 0.00 -1.36 0.00 0.00 55.97 55.93 1wg7 s LYS 15 Cb -0.15 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1wg7 s LYS 15 CO 0.10 -1.03 0.00 0.41 -0.76 0.00 0.00 175.35 174.07 1wg7 n GLY 16 N -1.40 -0.77 0.00 -3.33 0.00 -1.26 -5.15 105.19 93.28 1wg7 n GLY 16 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 1.32 3.72 -0.02 0.00 -1.26 -5.18 105.19 103.77 1wg7 n GLY 17 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.44 1.65 0.00 -0.61 1.01 -1.26 -5.15 121.20 115.40 1wg7 s ILE 18 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1wg7 s ILE 18 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1wg7 s ILE 18 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 174.94 176.01 1wg7 n THR 19 N -1.20 0.00 -3.89 2.92 5.66 -1.26 -4.77 114.28 111.74 1wg7 n THR 19 Ca -0.10 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.94 1wg7 n THR 19 Cb 0.66 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.45 1wg7 n THR 19 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1wg7 s LYS 20 N -2.00 0.12 0.28 1.09 -2.85 -1.26 -5.07 119.74 110.05 1wg7 s LYS 20 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 55.97 54.88 1wg7 s LYS 20 Cb 0.00 0.03 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1wg7 s LYS 20 CO 0.00 -0.05 0.40 1.58 0.10 0.00 0.00 175.35 177.38 1wg7 n HIS 21 N -0.82 -1.30 0.00 1.78 -0.00 -1.26 -2.82 115.22 110.80 1wg7 n HIS 21 Ca 0.01 -1.84 0.00 0.00 0.46 0.00 0.00 57.72 56.35 1wg7 n HIS 21 Cb 0.60 0.46 0.00 0.00 -0.12 0.00 0.00 29.99 30.93 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 -0.46 4.80 3.64 1.57 0.00 -1.22 -4.98 105.19 108.54 1wg7 n GLY 22 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1wg7 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wg7 s TRP 23 N -1.21 2.30 0.35 1.61 0.52 -1.26 -1.77 118.94 119.49 1wg7 s TRP 23 Ca 0.00 0.63 0.08 0.00 0.02 0.00 0.00 56.10 56.84 1wg7 s TRP 23 Cb 0.00 -3.91 -0.05 0.00 -1.15 0.00 0.00 33.47 28.36 1wg7 s TRP 23 CO 0.00 -2.61 0.11 -0.51 0.02 0.00 0.00 176.95 173.96 1wg7 s LEU 24 N 4.72 3.16 -0.39 2.99 1.02 0.06 -4.66 118.68 125.58 1wg7 s LEU 24 Ca 0.66 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.90 1wg7 s LEU 24 Cb -0.23 -1.58 0.10 0.00 0.02 0.00 0.00 46.19 44.50 1wg7 s LEU 24 CO 0.26 -0.32 0.17 -0.31 0.02 0.00 0.00 176.35 176.17 1wg7 s TYR 25 N -2.48 3.54 0.55 0.29 1.51 0.20 -0.27 117.35 120.69 1wg7 s TYR 25 Ca 0.37 -2.34 -0.17 0.00 -1.01 0.00 0.00 57.07 53.93 1wg7 s TYR 25 Cb -0.01 -3.03 -0.06 0.00 -0.11 0.00 0.00 41.96 38.76 1wg7 s TYR 25 CO 0.22 -0.94 1.03 0.21 -1.11 0.00 0.00 175.55 174.96 1wg7 s LYS 26 N 1.15 3.60 0.00 -0.62 2.20 -0.97 -2.43 119.74 122.68 1wg7 s LYS 26 Ca 0.06 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1wg7 s LYS 26 Cb -0.22 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1wg7 s LYS 26 CO -0.04 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1wg7 n GLY 27 N -0.99 2.55 3.20 5.54 0.00 -0.66 -3.60 105.19 111.23 1wg7 n GLY 27 Ca 0.08 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 2.00 -0.31 0.59 1.61 4.22 -1.26 -3.29 114.94 118.50 1wg7 s ASN 28 Ca 0.00 0.28 -0.19 0.00 -2.14 0.00 0.00 52.86 50.81 1wg7 s ASN 28 Cb 0.00 1.30 -0.04 0.00 1.28 0.00 0.00 41.25 43.79 1wg7 s ASN 28 CO 0.00 -0.06 1.11 0.80 -2.04 0.00 0.00 177.10 176.91 1wg7 n MET 29 N 5.19 1.10 -3.79 3.55 1.56 -1.26 -4.54 117.12 118.93 1wg7 n MET 29 Ca -0.08 0.42 -0.10 0.00 -0.27 0.00 0.00 57.70 57.68 1wg7 n MET 29 Cb 0.54 -2.31 -0.05 0.00 2.15 0.00 0.00 33.22 33.55 1wg7 n MET 29 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1wg7 s ASN 30 N -1.20 -0.14 0.00 6.12 -0.87 -1.26 -4.88 114.94 112.71 1wg7 s ASN 30 Ca 0.76 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 1wg7 s ASN 30 Cb -0.42 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.31 1wg7 s ASN 30 CO 0.46 -0.94 0.00 -0.24 -2.57 0.00 0.00 177.10 173.81 1wg7 n SER 31 N -0.26 0.00 -3.20 -1.22 2.88 -1.26 -4.34 113.62 106.21 1wg7 n SER 31 Ca -0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 1wg7 n SER 31 Cb 0.63 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.18 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg7 n ALA 32 N -3.00 -1.60 -0.11 -1.46 0.00 -1.26 -4.81 120.51 108.27 1wg7 n ALA 32 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 1wg7 n ALA 32 Cb 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 1wg7 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1wg7 n ILE 33 N -3.67 1.52 0.33 0.00 0.13 -1.26 -3.03 119.36 113.38 1wg7 n ILE 33 Ca 0.04 -0.08 0.16 0.00 -1.10 0.00 0.00 62.75 61.77 1wg7 n ILE 33 Cb 0.18 -2.06 0.84 0.00 -0.84 0.00 0.00 39.64 37.76 1wg7 n ILE 33 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1wg7 h SER 34 N -1.00 0.00 0.48 9.51 0.02 -1.95 1.20 113.55 121.81 1wg7 h SER 34 Ca -0.38 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 1wg7 h SER 34 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1wg7 h SER 34 CO -0.23 0.00 -1.64 0.55 -1.14 0.00 0.00 176.83 174.38 1wg7 n VAL 35 N -2.91 0.86 0.16 2.27 3.14 -1.26 -2.99 118.33 117.60 1wg7 n VAL 35 Ca -0.02 -0.65 0.01 0.00 -2.96 0.00 0.00 64.34 60.72 1wg7 n VAL 35 Cb 0.37 -0.46 0.26 0.00 -1.06 0.00 0.00 33.84 32.94 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wg7 h THR 36 N 0.00 1.25 0.00 1.55 1.03 0.15 -3.28 112.91 113.61 1wg7 h THR 36 Ca -0.16 -1.79 -0.15 0.00 -0.01 0.00 0.00 66.41 64.29 1wg7 h THR 36 Cb 1.46 1.99 -0.02 0.00 -1.07 0.00 0.00 68.15 70.51 1wg7 h THR 36 CO 0.03 0.49 -0.84 0.24 -0.01 0.00 0.00 175.52 175.43 1wg7 h MET 37 N 0.00 0.00 0.00 0.00 2.86 -1.40 -3.37 114.93 113.02 1wg7 h MET 37 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1wg7 h MET 37 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1wg7 h MET 37 CO 0.07 1.00 0.00 0.54 1.06 0.00 0.00 176.91 179.57 1wg7 n ARG 38 N -4.49 0.00 -2.71 1.72 5.12 -1.16 -1.89 116.66 113.24 1wg7 n ARG 38 Ca -0.25 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.60 1wg7 n ARG 38 Cb 0.61 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 32.02 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 1.42 -1.96 -4.39 0.55 7.64 -1.26 -5.05 113.62 110.57 1wg7 n SER 39 Ca 0.00 -2.81 -0.50 0.00 1.01 0.00 0.00 58.87 56.57 1wg7 n SER 39 Cb 0.00 1.24 -0.13 0.00 -1.01 0.00 0.00 64.21 64.31 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 -0.32 0.90 -4.28 1.43 3.72 -0.79 -4.89 117.46 113.23 1wg7 n PHE 40 Ca -0.00 0.54 -0.29 0.00 -0.05 0.00 0.00 57.45 57.64 1wg7 n PHE 40 Cb 0.81 -2.36 -0.11 0.00 -0.94 0.00 0.00 39.48 36.88 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wg7 s LYS 41 N 7.52 1.92 -0.21 -1.08 -0.14 -1.24 -5.02 119.74 121.49 1wg7 s LYS 41 Ca 1.26 -1.15 -0.07 0.00 -1.36 0.00 0.00 55.97 54.66 1wg7 s LYS 41 Cb -1.31 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1wg7 s LYS 41 CO 0.56 0.48 0.05 0.50 -0.76 0.00 0.00 175.35 176.18 1wg7 s ARG 42 N -2.25 3.74 0.05 1.68 3.52 -1.26 -2.29 118.95 122.13 1wg7 s ARG 42 Ca 0.20 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1wg7 s ARG 42 Cb -0.10 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1wg7 s ARG 42 CO 0.12 0.02 -0.05 1.03 -0.81 0.00 0.00 175.30 175.60 1wg7 s ARG 43 N 1.04 0.52 -0.14 5.12 0.52 0.62 -4.94 118.95 121.70 1wg7 s ARG 43 Ca 0.03 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 1wg7 s ARG 43 Cb -0.14 -0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1wg7 s ARG 43 CO 0.03 -0.02 1.59 0.12 0.02 0.00 0.00 175.30 177.03 1wg7 s PHE 44 N -2.21 2.14 -0.36 -0.53 5.36 -0.67 -0.76 117.98 120.95 1wg7 s PHE 44 Ca -0.06 0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 56.18 1wg7 s PHE 44 Cb -0.04 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1wg7 s PHE 44 CO -0.03 -3.19 0.53 -0.06 -1.46 0.00 0.00 175.22 171.01 1wg7 s PHE 45 N 4.45 3.17 -0.14 10.12 0.40 -0.73 0.38 117.98 135.63 1wg7 s PHE 45 Ca 0.70 0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 57.11 1wg7 s PHE 45 Cb -0.28 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1wg7 s PHE 45 CO 0.27 -0.59 0.09 -1.58 0.70 0.00 0.00 175.22 174.12 1wg7 s HIS 46 N 2.45 3.39 -0.14 0.36 5.65 0.13 -3.38 115.29 123.74 1wg7 s HIS 46 Ca 0.19 0.32 -0.02 0.00 0.25 0.00 0.00 55.06 55.80 1wg7 s HIS 46 Cb -0.15 -1.97 -0.02 0.00 -1.18 0.00 0.00 32.58 29.26 1wg7 s HIS 46 CO 0.14 0.48 -0.08 -1.17 -0.65 0.00 0.00 174.74 173.46 1wg7 s LEU 47 N -0.48 3.01 0.01 8.88 1.98 -1.13 0.41 118.68 131.36 1wg7 s LEU 47 Ca 0.11 -0.21 -0.04 0.00 -2.89 0.00 0.00 54.13 51.10 1wg7 s LEU 47 Cb -0.12 -1.70 -0.01 0.00 0.66 0.00 0.00 46.19 45.02 1wg7 s LEU 47 CO 0.02 0.17 0.06 -0.51 -1.89 0.00 0.00 176.35 174.20 1wg7 s ILE 48 N 0.31 0.09 -0.35 6.68 2.07 -1.09 -4.51 121.20 124.40 1wg7 s ILE 48 Ca -0.07 -0.72 -0.20 0.00 -1.41 0.00 0.00 60.65 58.26 1wg7 s ILE 48 Cb -0.15 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 1wg7 s ILE 48 CO 0.04 -0.39 0.60 -1.58 -1.91 0.00 0.00 174.94 171.70 1wg7 s GLN 49 N -1.27 3.69 0.42 3.50 0.74 -1.26 -1.37 119.66 124.11 1wg7 s GLN 49 Ca -0.14 0.02 -0.06 0.00 0.05 0.00 0.00 55.36 55.23 1wg7 s GLN 49 Cb -0.08 -3.80 0.10 0.00 1.10 0.00 0.00 33.01 30.33 1wg7 s GLN 49 CO 0.00 -0.69 0.23 1.28 -0.55 0.00 0.00 175.29 175.56 1wg7 n LEU 50 N 5.95 0.00 -0.05 3.68 4.77 0.43 -4.93 117.00 126.85 1wg7 n LEU 50 Ca -0.02 -0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 55.72 1wg7 n LEU 50 Cb 0.49 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1wg7 n LEU 50 CO 0.48 -1.82 -0.06 1.23 -1.33 0.00 0.00 177.39 175.88 1wg7 h GLY 51 N -1.63 0.00 -1.91 -0.72 0.00 -1.97 -3.32 103.07 93.53 1wg7 h GLY 51 Ca -0.10 0.00 0.55 0.00 0.00 0.00 0.00 47.33 47.78 1wg7 h GLY 51 CO 0.06 0.00 1.40 1.22 0.00 0.00 0.00 176.54 179.22 1wg7 n ASP 52 N -4.34 0.00 0.00 0.19 8.00 -1.26 -4.66 116.55 114.48 1wg7 n ASP 52 Ca -0.01 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1wg7 n ASP 52 Cb 0.04 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg7 n GLY 53 N -1.90 1.73 3.56 0.44 0.00 -1.25 -5.12 105.19 102.65 1wg7 n GLY 53 Ca 0.43 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.31 1.64 0.44 1.61 0.01 -1.26 -4.50 113.70 111.33 1wg7 s SER 54 Ca 0.00 1.48 0.07 0.00 1.31 0.00 0.00 55.95 58.81 1wg7 s SER 54 Cb 0.00 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1wg7 s SER 54 CO 0.00 -3.78 0.28 -0.31 0.41 0.00 0.00 173.24 169.83 1wg7 s TYR 55 N -2.63 2.47 -0.20 2.43 1.51 -1.26 0.16 117.35 119.84 1wg7 s TYR 55 Ca 0.67 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1wg7 s TYR 55 Cb -0.23 -2.02 0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1wg7 s TYR 55 CO 0.62 -0.02 0.47 -0.80 -1.11 0.00 0.00 175.55 174.71 1wg7 s ASN 56 N -4.04 -0.60 -0.63 2.29 -0.87 -0.47 -3.50 114.94 107.12 1wg7 s ASN 56 Ca 0.42 1.04 -0.21 0.00 -1.57 0.00 0.00 52.86 52.54 1wg7 s ASN 56 Cb 0.01 0.97 0.08 0.00 -0.02 0.00 0.00 41.25 42.28 1wg7 s ASN 56 CO 0.24 -0.21 0.87 -0.22 -2.57 0.00 0.00 177.10 175.21 1wg7 s LEU 57 N 1.57 4.69 -0.36 0.60 2.96 -1.18 -2.68 118.68 124.27 1wg7 s LEU 57 Ca -0.09 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.63 1wg7 s LEU 57 Cb -0.08 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.21 1wg7 s LEU 57 CO -0.14 -1.31 0.22 0.20 -1.32 0.00 0.00 176.35 174.00 1wg7 s ASN 58 N 3.56 5.84 -0.19 3.68 0.01 0.16 -2.25 114.94 125.75 1wg7 s ASN 58 Ca 0.19 -0.76 -0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1wg7 s ASN 58 Cb -0.19 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 1wg7 s ASN 58 CO 0.10 -0.33 0.13 0.72 -1.51 0.00 0.00 177.10 176.21 1wg7 s PHE 59 N 1.63 3.42 0.25 2.20 -0.12 -1.08 0.19 117.98 124.46 1wg7 s PHE 59 Ca 0.04 0.35 0.08 0.00 -0.05 0.00 0.00 56.93 57.34 1wg7 s PHE 59 Cb -0.18 -2.15 -0.04 0.00 -0.63 0.00 0.00 43.02 40.02 1wg7 s PHE 59 CO 0.08 0.32 0.13 0.71 -0.05 0.00 0.00 175.22 176.41 1wg7 s TYR 60 N 0.28 3.00 0.23 3.49 1.51 0.16 -1.83 117.35 124.18 1wg7 s TYR 60 Ca 0.09 -0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 1wg7 s TYR 60 Cb -0.11 -1.35 0.23 0.00 -0.11 0.00 0.00 41.96 40.61 1wg7 s TYR 60 CO -0.02 0.55 1.90 -0.22 -1.11 0.00 0.00 175.55 176.65 1wg7 h LYS 61 N 1.71 1.12 -5.06 -0.62 3.64 -1.91 -1.79 116.57 113.66 1wg7 h LYS 61 Ca -0.47 -0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 1wg7 h LYS 61 Cb 1.24 -0.25 -0.13 0.00 -0.41 0.00 0.00 32.23 32.67 1wg7 h LYS 61 CO 0.61 0.74 -0.50 0.16 -2.27 0.00 0.00 179.45 178.18 1wg7 s ASP 62 N -5.96 3.19 0.15 4.20 1.47 -1.26 -4.42 116.67 114.04 1wg7 s ASP 62 Ca -0.13 -1.71 -0.13 0.00 1.18 0.00 0.00 52.55 51.77 1wg7 s ASP 62 Cb 0.17 0.58 0.03 0.00 -0.34 0.00 0.00 42.92 43.36 1wg7 s ASP 62 CO 0.80 -0.95 1.63 -0.33 0.68 0.00 0.00 175.17 176.99 1wg7 h GLU 63 N 1.64 0.85 -5.50 2.11 5.08 -1.94 -3.40 114.58 113.41 1wg7 h GLU 63 Ca -0.37 -0.24 -0.25 0.00 -1.00 0.00 0.00 59.36 57.51 1wg7 h GLU 63 Cb 1.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wg7 h GLU 63 CO 0.59 0.85 0.87 0.15 -1.00 0.00 0.00 179.01 180.47 1wg7 s LYS 64 N -5.15 1.88 0.00 2.33 1.02 -1.26 -4.88 119.74 113.68 1wg7 s LYS 64 Ca -0.13 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1wg7 s LYS 64 Cb 0.12 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 1wg7 s LYS 64 CO 0.81 -3.82 0.00 0.44 -0.92 0.00 0.00 175.35 171.86 1wg7 n ILE 65 N 8.35 0.00 0.00 2.17 -5.35 -1.26 -4.67 119.36 118.60 1wg7 n ILE 65 Ca 0.41 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.89 1wg7 n ILE 65 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -2.87 7.28 2.88 -1.26 -4.92 113.62 114.72 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 -1.26 -2.31 -1.46 4.76 -1.26 -4.91 118.16 111.72 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 -2.68 4.36 0.71 1.97 2.02 -1.26 -5.01 118.70 118.82 1wg7 s GLU 68 Ca 0.00 1.89 -0.11 0.00 0.02 0.00 0.00 54.97 56.77 1wg7 s GLU 68 Cb 0.00 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1wg7 s GLU 68 CO 0.00 -0.39 1.07 -1.25 0.02 0.00 0.00 175.26 174.71 1wg7 s PRO 69 N 1.44 2.82 0.16 0.39 0.04 -1.26 -4.92 135.00 133.66 1wg7 s PRO 69 Ca 0.61 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1wg7 s PRO 69 Cb -0.32 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1wg7 s PRO 69 CO 0.28 -1.17 1.36 0.87 0.04 0.00 0.00 177.00 178.38 1wg7 h LYS 70 N -0.77 0.07 -1.41 4.56 1.79 -1.74 -3.48 116.57 115.59 1wg7 h LYS 70 Ca -0.44 -0.09 0.33 0.00 -2.18 0.00 0.00 60.65 58.27 1wg7 h LYS 70 Cb 1.22 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.77 1wg7 h LYS 70 CO 0.57 0.93 0.84 0.20 -1.08 0.00 0.00 179.45 180.91 1wg7 s GLY 71 N -4.61 -0.42 0.05 3.86 0.00 -1.24 -5.04 107.32 99.92 1wg7 s GLY 71 Ca -0.01 0.77 -0.03 0.00 0.00 0.00 0.00 44.72 45.45 1wg7 s GLY 71 CO 0.82 0.15 0.03 -0.56 0.00 0.00 0.00 173.10 173.54 1wg7 s SER 72 N -2.94 0.33 -0.13 1.64 0.01 -1.26 -2.63 113.70 108.73 1wg7 s SER 72 Ca 0.14 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.64 1wg7 s SER 72 Cb 0.05 0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wg7 s SER 72 CO -0.04 -0.56 -0.20 -0.63 0.41 0.00 0.00 173.24 172.22 1wg7 s ILE 73 N -3.31 2.36 -1.35 1.44 1.01 -0.95 -4.91 121.20 115.48 1wg7 s ILE 73 Ca 0.01 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1wg7 s ILE 73 Cb 0.03 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.62 1wg7 s ILE 73 CO -0.08 0.54 1.89 0.49 0.00 0.00 0.00 174.94 177.79 1wg7 n PHE 74 N 3.77 4.23 -0.32 3.97 3.72 -1.26 -3.12 117.46 128.45 1wg7 n PHE 74 Ca -0.19 -2.92 0.15 0.00 -0.05 0.00 0.00 57.45 54.44 1wg7 n PHE 74 Cb 0.52 -2.55 0.34 0.00 -0.94 0.00 0.00 39.48 36.85 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 11.31 0.48 -1.75 4.37 3.38 -1.93 1.60 115.31 132.77 1wg7 h LEU 75 Ca 0.48 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.72 1wg7 h LEU 75 Cb 0.78 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1wg7 h LEU 75 CO 1.60 0.04 0.58 -2.24 0.09 0.00 0.00 178.44 178.52 1wg7 h ASP 76 N 0.48 0.00 0.00 -0.43 2.03 -1.86 0.46 116.42 117.09 1wg7 h ASP 76 Ca 0.60 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.54 1wg7 h ASP 76 Cb 1.13 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.57 1wg7 h ASP 76 CO -0.51 0.00 -2.35 -1.20 -1.03 0.00 0.00 179.24 174.16 1wg7 n SER 77 N -3.45 0.42 -4.72 4.15 7.64 0.52 -4.94 113.62 113.24 1wg7 n SER 77 Ca 0.08 -0.02 -0.61 0.00 1.01 0.00 0.00 58.87 59.33 1wg7 n SER 77 Cb 0.76 0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 64.69 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 6.51 0.00 0.00 0.00 2.86 0.19 -3.47 114.93 121.02 1wg7 h MET 79 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1wg7 h MET 79 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1wg7 h MET 79 CO 0.97 0.79 0.00 0.41 1.06 0.00 0.00 176.91 180.14 1wg7 n GLY 80 N 1.29 1.85 3.51 8.32 0.00 -1.12 -5.02 105.19 114.02 1wg7 n GLY 80 Ca 0.01 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1wg7 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wg7 s VAL 81 N -2.00 4.18 0.44 1.61 1.01 -1.26 -0.96 120.40 123.42 1wg7 s VAL 81 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1wg7 s VAL 81 Cb 0.00 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1wg7 s VAL 81 CO 0.00 0.44 0.60 0.68 0.00 0.00 0.00 175.10 176.82 1wg7 s VAL 82 N 0.75 2.94 -0.03 2.92 -7.23 -0.03 -4.96 120.40 114.77 1wg7 s VAL 82 Ca 0.01 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1wg7 s VAL 82 Cb -0.14 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 1wg7 s VAL 82 CO 0.02 0.00 0.10 -1.10 -0.31 0.00 0.00 175.10 173.81 1wg7 s GLN 83 N -4.40 3.17 -0.06 4.82 -0.21 -1.26 -2.69 119.66 119.04 1wg7 s GLN 83 Ca 0.55 -0.41 -0.08 0.00 0.02 0.00 0.00 55.36 55.44 1wg7 s GLN 83 Cb -0.10 -2.94 0.02 0.00 1.00 0.00 0.00 33.01 30.99 1wg7 s GLN 83 CO 0.34 0.67 0.21 1.21 -2.12 0.00 0.00 175.29 175.60 1wg7 s ASN 84 N -1.61 -0.17 0.00 5.90 2.47 0.27 -4.78 114.94 117.03 1wg7 s ASN 84 Ca 0.22 0.25 0.03 0.00 0.42 0.00 0.00 52.86 53.78 1wg7 s ASN 84 Cb -0.12 0.38 0.04 0.00 -1.45 0.00 0.00 41.25 40.11 1wg7 s ASN 84 CO 0.13 -0.19 0.84 0.59 -3.72 0.00 0.00 177.10 174.75 1wg7 n ASN 85 N 2.41 -0.37 -0.09 -4.21 4.13 -1.26 -1.58 115.26 114.29 1wg7 n ASN 85 Ca -0.16 -1.65 -0.21 0.00 1.68 0.00 0.00 54.58 54.24 1wg7 n ASN 85 Cb 0.57 0.09 -0.12 0.00 -1.54 0.00 0.00 39.78 38.79 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wg7 n LYS 86 N 0.05 0.67 0.00 3.52 4.01 -1.26 -4.79 118.16 120.36 1wg7 n LYS 86 Ca -0.13 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1wg7 n LYS 86 Cb 0.68 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.62 1wg7 n LYS 86 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1wg7 n VAL 87 N -3.51 0.00 -4.00 -0.18 0.31 -1.26 -5.00 118.33 104.69 1wg7 n VAL 87 Ca -0.43 0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 63.70 1wg7 n VAL 87 Cb 0.97 -0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 33.82 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1wg7 s ARG 88 N -0.01 2.53 0.05 5.55 3.52 -1.26 -5.08 118.95 124.24 1wg7 s ARG 88 Ca 0.00 -1.42 -0.31 0.00 -0.13 0.00 0.00 55.73 53.87 1wg7 s ARG 88 Cb 0.00 -2.31 -0.06 0.00 -1.56 0.00 0.00 34.95 31.02 1wg7 s ARG 88 CO 0.00 0.13 1.30 1.03 -0.81 0.00 0.00 175.30 176.95 1wg7 s ARG 89 N -3.89 4.35 -0.82 5.12 0.52 -1.26 -3.73 118.95 119.25 1wg7 s ARG 89 Ca 0.38 1.89 -0.02 0.00 -0.52 0.00 0.00 55.73 57.46 1wg7 s ARG 89 Cb -0.04 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 1wg7 s ARG 89 CO 0.24 -0.41 0.75 1.19 0.02 0.00 0.00 175.30 177.09 1wg7 n PHE 90 N 4.45 -2.71 -4.57 -0.53 3.72 -1.26 -4.54 117.46 112.02 1wg7 n PHE 90 Ca 0.11 1.01 -0.27 0.00 -0.05 0.00 0.00 57.45 58.24 1wg7 n PHE 90 Cb 0.45 -4.04 -0.14 0.00 -0.94 0.00 0.00 39.48 34.81 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 -3.13 2.03 0.00 4.37 0.00 -0.62 -2.51 121.76 121.90 1wg7 s ALA 91 Ca 0.15 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1wg7 s ALA 91 Cb -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1wg7 s ALA 91 CO 0.72 0.45 -0.04 -0.59 0.00 0.00 0.00 175.76 176.31 1wg7 s PHE 92 N -0.94 0.34 -0.11 0.00 -0.71 0.14 0.98 117.98 117.68 1wg7 s PHE 92 Ca 0.10 -0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 55.80 1wg7 s PHE 92 Cb -0.10 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1wg7 s PHE 92 CO 0.03 -0.02 0.18 -2.00 -1.34 0.00 0.00 175.22 172.08 1wg7 s GLU 93 N -0.22 3.56 -0.50 1.99 2.12 -1.09 -0.48 118.70 124.08 1wg7 s GLU 93 Ca 0.00 -0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.08 1wg7 s GLU 93 Cb -0.02 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.21 1wg7 s GLU 93 CO -0.00 0.73 0.64 -0.51 -0.54 0.00 0.00 175.26 175.58 1wg7 s LEU 94 N -0.93 4.87 -0.75 2.70 2.01 0.92 -0.85 118.68 126.65 1wg7 s LEU 94 Ca 0.16 -0.82 -0.26 0.00 0.01 0.00 0.00 54.13 53.21 1wg7 s LEU 94 Cb -0.13 -2.49 0.02 0.00 0.01 0.00 0.00 46.19 43.60 1wg7 s LEU 94 CO 0.05 -0.89 1.44 -0.54 1.01 0.00 0.00 176.35 177.42 1wg7 s LYS 95 N 2.70 3.10 0.64 1.70 -0.14 -0.13 -2.69 119.74 124.92 1wg7 s LYS 95 Ca 0.16 -0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.57 1wg7 s LYS 95 Cb -0.18 -4.39 0.05 0.00 -1.68 0.00 0.00 37.83 31.62 1wg7 s LYS 95 CO 0.13 -2.32 0.91 -1.64 -0.76 0.00 0.00 175.35 171.68 1wg7 s MET 96 N 5.96 2.38 -0.01 1.68 -1.94 -0.68 0.19 119.30 126.89 1wg7 s MET 96 Ca 0.44 -0.43 0.20 0.00 -1.71 0.00 0.00 55.69 54.19 1wg7 s MET 96 Cb -0.08 -2.30 -0.25 0.00 2.01 0.00 0.00 34.83 34.22 1wg7 s MET 96 CO 0.13 -1.00 0.74 0.00 -0.01 0.00 0.00 175.02 174.88 1wg7 n GLN 97 N -2.68 0.44 -1.00 2.03 10.64 -1.15 -4.39 117.38 121.27 1wg7 n GLN 97 Ca 0.08 -0.05 -0.16 0.00 -1.83 0.00 0.00 57.00 55.04 1wg7 n GLN 97 Cb 0.60 -1.46 -0.03 0.00 -0.86 0.00 0.00 30.24 28.49 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 -1.69 6.05 -3.94 2.61 2.03 -1.26 -4.79 116.55 115.57 1wg7 n ASP 98 Ca 0.02 -2.88 -0.37 0.00 0.52 0.00 0.00 54.79 52.07 1wg7 n ASP 98 Cb 0.38 -1.18 0.01 0.00 -0.72 0.00 0.00 41.12 39.61 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wg7 n LYS 99 N 1.07 -0.77 -3.64 -0.67 4.76 -1.26 -4.92 118.16 112.73 1wg7 n LYS 99 Ca 0.32 0.36 -0.02 0.00 -2.87 0.00 0.00 58.31 56.10 1wg7 n LYS 99 Cb 0.62 -2.56 -0.01 0.00 -1.84 0.00 0.00 35.03 31.24 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wg7 s SER 100 N -3.32 -0.14 -0.28 4.39 0.01 -1.26 -5.10 113.70 108.00 1wg7 s SER 100 Ca 0.31 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.21 1wg7 s SER 100 Cb -0.17 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.44 1wg7 s SER 100 CO 0.94 -0.49 0.80 -0.94 0.41 0.00 0.00 173.24 173.95 1wg7 s SER 101 N -2.76 -0.75 0.03 2.44 1.04 -1.26 -1.68 113.70 110.76 1wg7 s SER 101 Ca 0.12 1.28 -0.07 0.00 0.48 0.00 0.00 55.95 57.75 1wg7 s SER 101 Cb 0.01 1.31 -0.05 0.00 0.10 0.00 0.00 66.02 67.39 1wg7 s SER 101 CO -0.03 -0.21 0.30 -0.31 0.98 0.00 0.00 173.24 173.97 1wg7 s TYR 102 N 1.12 3.58 -0.71 5.02 2.02 -1.09 -4.60 117.35 122.69 1wg7 s TYR 102 Ca -0.06 0.62 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 1wg7 s TYR 102 Cb -0.05 -2.03 0.18 0.00 -0.40 0.00 0.00 41.96 39.66 1wg7 s TYR 102 CO -0.13 0.59 0.67 -1.17 -1.57 0.00 0.00 175.55 173.94 1wg7 s LEU 103 N -1.83 6.45 0.21 -1.29 2.96 -1.21 -0.05 118.68 123.91 1wg7 s LEU 103 Ca 0.29 -2.28 -0.09 0.00 -0.22 0.00 0.00 54.13 51.83 1wg7 s LEU 103 Cb -0.13 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 1wg7 s LEU 103 CO 0.17 -0.72 0.52 -0.76 -1.32 0.00 0.00 176.35 174.25 1wg7 s LEU 104 N 0.88 4.20 -0.24 -0.68 1.02 0.37 -1.65 118.68 122.58 1wg7 s LEU 104 Ca 0.12 0.89 -0.16 0.00 0.02 0.00 0.00 54.13 55.00 1wg7 s LEU 104 Cb -0.18 -3.58 0.07 0.00 0.02 0.00 0.00 46.19 42.52 1wg7 s LEU 104 CO -0.04 -0.04 0.60 0.00 0.02 0.00 0.00 176.35 176.90 1wg7 s ALA 105 N -1.75 -1.57 0.59 4.21 0.00 -1.02 0.25 121.76 122.46 1wg7 s ALA 105 Ca 0.45 2.00 0.09 0.00 0.00 0.00 0.00 51.96 54.50 1wg7 s ALA 105 Cb -0.12 -1.18 0.09 0.00 0.00 0.00 0.00 23.12 21.91 1wg7 s ALA 105 CO 0.21 -0.32 0.74 0.00 0.00 0.00 0.00 175.76 176.39 1wg7 n ALA 106 N 3.80 1.19 0.03 0.00 0.00 -1.05 -0.63 120.51 123.86 1wg7 n ALA 106 Ca -0.19 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1wg7 n ALA 106 Cb 0.57 0.66 -0.08 0.00 0.00 0.00 0.00 19.45 20.60 1wg7 n ALA 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wg7 n ASP 107 N -2.21 0.86 -4.08 0.00 2.03 -1.26 -4.81 116.55 107.09 1wg7 n ASP 107 Ca 0.13 0.38 -0.11 0.00 0.52 0.00 0.00 54.79 55.71 1wg7 n ASP 107 Cb 0.62 0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 41.08 1wg7 n ASP 107 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wg7 s SER 108 N -5.76 0.76 0.28 1.67 0.15 -1.26 -5.03 113.70 104.51 1wg7 s SER 108 Ca -0.03 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.92 1wg7 s SER 108 Cb 0.09 0.08 0.67 0.00 -1.71 0.00 0.00 66.02 65.15 1wg7 s SER 108 CO 0.81 -0.34 1.67 1.05 1.20 0.00 0.00 173.24 177.63 1wg7 h GLU 109 N 3.96 0.28 0.28 5.44 4.11 -1.91 0.62 114.58 127.37 1wg7 h GLU 109 Ca -0.35 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 1wg7 h GLU 109 Cb 1.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1wg7 h GLU 109 CO 0.50 0.19 -0.34 -0.24 0.07 0.00 0.00 179.01 179.19 1wg7 h VAL 110 N 0.29 0.00 0.00 -1.06 3.04 -1.97 1.53 116.25 118.08 1wg7 h VAL 110 Ca 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.22 1wg7 h VAL 110 Cb 1.02 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1wg7 h VAL 110 CO -0.58 0.00 0.32 -0.33 -1.01 0.00 0.00 177.57 175.97 1wg7 h GLU 111 N -0.64 0.00 0.02 4.17 5.08 -1.61 1.66 114.58 123.26 1wg7 h GLU 111 Ca -0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.02 1wg7 h GLU 111 Cb 0.57 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1wg7 h GLU 111 CO -0.07 0.00 -1.77 -0.12 -1.00 0.00 0.00 179.01 176.05 1wg7 n MET 112 N -2.78 0.65 0.04 2.33 1.56 0.26 -4.03 117.12 115.15 1wg7 n MET 112 Ca -0.02 0.29 -0.18 0.00 -0.27 0.00 0.00 57.70 57.52 1wg7 n MET 112 Cb 0.37 -1.78 -0.14 0.00 2.15 0.00 0.00 33.22 33.82 1wg7 n MET 112 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1wg7 h GLU 113 N 0.01 0.24 -0.36 2.12 4.11 0.75 -3.12 114.58 118.33 1wg7 h GLU 113 Ca -0.31 -0.41 0.07 0.00 0.07 0.00 0.00 59.36 58.78 1wg7 h GLU 113 Cb 2.02 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 31.34 1wg7 h GLU 113 CO 0.08 1.08 -0.38 0.93 0.07 0.00 0.00 179.01 180.79 1wg7 h GLU 114 N 0.07 -0.31 0.62 1.06 5.08 0.19 0.46 114.58 121.75 1wg7 h GLU 114 Ca -0.32 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1wg7 h GLU 114 Cb 2.03 0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.36 1wg7 h GLU 114 CO 0.13 -0.20 -0.30 -1.49 -1.00 0.00 0.00 179.01 176.15 1wg7 h TRP 115 N -0.32 -0.77 -1.91 4.33 4.06 -1.73 0.20 115.95 119.81 1wg7 h TRP 115 Ca 0.14 -0.02 0.56 0.00 2.06 0.00 0.00 58.89 61.63 1wg7 h TRP 115 Cb 0.57 0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 28.91 1wg7 h TRP 115 CO -0.57 -0.43 1.38 0.82 -3.56 0.00 0.00 178.44 176.08 1wg7 h ILE 116 N -1.02 0.04 0.07 1.49 2.04 -1.34 1.42 117.51 120.21 1wg7 h ILE 116 Ca -0.08 -0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 1wg7 h ILE 116 Cb 0.68 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1wg7 h ILE 116 CO 0.14 0.00 -1.00 0.74 0.00 0.00 0.00 178.15 178.03 1wg7 h THR 117 N 0.00 1.23 0.27 -0.27 2.02 0.63 -3.07 112.91 113.73 1wg7 h THR 117 Ca 0.91 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1wg7 h THR 117 Cb 3.66 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 72.89 1wg7 h THR 117 CO -0.01 0.60 -0.13 0.40 0.37 0.00 0.00 175.52 176.75 1wg7 h ILE 118 N -0.61 0.00 -0.75 3.11 5.03 0.48 0.27 117.51 125.03 1wg7 h ILE 118 Ca -0.23 -0.04 0.09 0.00 -0.12 0.00 0.00 64.86 64.57 1wg7 h ILE 118 Cb 1.49 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 35.16 1wg7 h ILE 118 CO 0.00 0.00 -0.51 -0.07 -0.68 0.00 0.00 178.15 176.89 1wg7 h LEU 119 N -0.40 -1.81 -0.89 1.44 3.38 -0.11 0.97 115.31 117.88 1wg7 h LEU 119 Ca -0.04 0.29 0.17 0.00 0.09 0.00 0.00 57.88 58.39 1wg7 h LEU 119 Cb 0.28 0.81 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1wg7 h LEU 119 CO 0.06 -0.31 0.47 0.78 0.09 0.00 0.00 178.44 179.53 1wg7 h ASN 120 N -0.15 0.55 0.00 -0.43 2.35 -1.54 0.14 115.58 116.49 1wg7 h ASN 120 Ca 0.17 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1wg7 h ASN 120 Cb 0.52 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1wg7 h ASN 120 CO -0.80 0.19 0.00 1.17 -1.65 0.00 0.00 177.43 176.34 1wg7 n LYS 121 N -4.88 0.00 -0.35 0.81 4.81 0.33 0.12 118.16 119.00 1wg7 n LYS 121 Ca 0.19 0.59 0.24 0.00 -0.87 0.00 0.00 58.31 58.46 1wg7 n LYS 121 Cb 0.50 -1.34 0.50 0.00 0.02 0.00 0.00 35.03 34.72 1wg7 n LYS 121 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wg7 h ILE 122 N 0.00 0.44 -0.74 3.15 5.03 -0.88 2.28 117.51 126.79 1wg7 h ILE 122 Ca 0.00 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.60 1wg7 h ILE 122 Cb 0.00 0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 33.79 1wg7 h ILE 122 CO 0.00 0.07 0.42 -0.07 -0.68 0.00 0.00 178.15 177.88 1wg7 h LEU 123 N 0.37 0.91 0.00 1.44 4.07 0.61 1.65 115.31 124.37 1wg7 h LEU 123 Ca 0.65 -0.07 -0.22 0.00 0.08 0.00 0.00 57.88 58.33 1wg7 h LEU 123 Cb 1.63 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 1wg7 h LEU 123 CO -0.38 0.72 -1.36 1.56 -1.08 0.00 0.00 178.44 177.91 1wg7 h GLN 124 N 1.03 0.00 0.00 1.13 1.08 0.97 -3.27 115.11 116.04 1wg7 h GLN 124 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1wg7 h GLN 124 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1wg7 h GLN 124 CO -0.04 0.50 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.10 1wg7 h LEU 125 N 0.00 0.00 -0.01 1.46 3.38 0.37 -3.12 115.31 117.39 1wg7 h LEU 125 Ca -0.17 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 1wg7 h LEU 125 Cb 1.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1wg7 h LEU 125 CO 0.07 0.03 -0.81 0.78 0.09 0.00 0.00 178.44 178.60 1wg7 h ASN 126 N 0.00 0.00 -0.21 -0.43 2.35 0.24 -2.58 115.58 114.95 1wg7 h ASN 126 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1wg7 h ASN 126 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1wg7 h ASN 126 CO 0.00 0.81 -0.60 0.15 -1.65 0.00 0.00 177.43 176.15 1wg7 h PHE 127 N 0.00 1.01 0.00 1.19 3.04 -1.60 -2.53 116.94 118.06 1wg7 h PHE 127 Ca -0.01 -0.40 -0.07 0.00 3.98 0.00 0.00 57.97 61.47 1wg7 h PHE 127 Cb 1.62 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1wg7 h PHE 127 CO 0.00 1.21 -0.34 0.93 -2.02 0.00 0.00 178.31 178.10 1wg7 h GLU 128 N 0.52 0.00 -0.30 1.11 5.08 -1.61 -2.99 114.58 116.39 1wg7 h GLU 128 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1wg7 h GLU 128 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wg7 h GLU 128 CO 0.13 0.34 -0.49 0.00 -1.00 0.00 0.00 179.01 177.99 1wg7 h ALA 129 N 1.66 0.56 -0.49 3.43 0.00 -1.36 -0.70 119.26 122.36 1wg7 h ALA 129 Ca -0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1wg7 h ALA 129 Cb 0.96 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1wg7 h ALA 129 CO 0.04 0.68 0.29 0.00 0.00 0.00 0.00 179.25 180.26 1wg7 h ALA 130 N 0.79 0.63 0.00 0.00 0.00 -1.31 0.43 119.26 119.80 1wg7 h ALA 130 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1wg7 h ALA 130 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1wg7 h ALA 130 CO 0.11 -0.02 -0.32 0.52 0.00 0.00 0.00 179.25 179.54 1wg7 h MET 131 N 0.58 0.00 0.01 0.00 2.07 -1.48 -1.42 114.93 114.69 1wg7 h MET 131 Ca 0.20 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.58 1wg7 h MET 131 Cb 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.77 1wg7 h MET 131 CO -0.10 0.32 -1.02 1.96 1.07 0.00 0.00 176.91 179.15 1wg7 h GLN 132 N 0.00 0.53 0.00 1.72 1.08 0.21 -3.18 115.11 115.48 1wg7 h GLN 132 Ca -0.00 -0.59 -0.09 0.00 -1.45 0.00 0.00 58.65 56.51 1wg7 h GLN 132 Cb 0.83 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1wg7 h GLN 132 CO 0.04 1.22 -0.44 0.93 -0.95 0.00 0.00 178.83 179.63 1wg7 h GLU 133 N 0.29 0.00 -0.34 1.46 5.08 -0.05 -3.23 114.58 117.79 1wg7 h GLU 133 Ca -0.11 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1wg7 h GLU 133 Cb 1.66 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.85 1wg7 h GLU 133 CO 0.19 0.44 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.31 1wg7 h LYS 134 N 0.00 -0.03 -0.87 2.33 3.64 -1.23 0.32 116.57 120.74 1wg7 h LYS 134 Ca -0.00 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.63 1wg7 h LYS 134 Cb 1.15 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1wg7 h LYS 134 CO 0.06 -0.02 0.95 0.00 -2.27 0.00 0.00 179.45 178.17 1wg7 h ARG 135 N -0.03 0.00 -2.67 1.90 2.47 -1.64 -1.19 114.38 113.22 1wg7 h ARG 135 Ca 0.17 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 58.18 1wg7 h ARG 135 Cb 0.28 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.25 1wg7 h ARG 135 CO -0.36 0.00 0.10 -1.71 0.56 0.00 0.00 179.97 178.56 1wg7 n ASN 136 N -3.46 5.05 0.16 7.04 2.85 0.11 -4.57 115.26 122.44 1wg7 n ASN 136 Ca 0.19 -3.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1wg7 n ASN 136 Cb 1.23 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 41.25 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg7 n GLY 137 N 1.25 -1.46 2.79 8.20 0.00 -0.45 -4.89 105.19 110.64 1wg7 n GLY 137 Ca 0.27 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.00 1.13 0.00 1.61 1.11 -1.25 -4.92 116.67 112.36 1wg7 s ASP 138 Ca 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.56 1wg7 s ASP 138 Cb 0.00 0.58 0.00 0.00 1.07 0.00 0.00 42.92 44.57 1wg7 s ASP 138 CO 0.00 -0.33 0.00 -1.54 1.18 0.00 0.00 175.17 174.48 1wg7 n SER 139 N 5.33 0.00 -4.02 0.27 3.41 -1.26 -4.94 113.62 112.41 1wg7 n SER 139 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.20 1wg7 n SER 139 Cb 0.49 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1wg7 n SER 139 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1wg7 n HIS 140 N -0.15 -5.03 -1.29 7.33 8.25 -1.26 -4.35 115.22 118.71 1wg7 n HIS 140 Ca 0.00 -0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.96 1wg7 n HIS 140 Cb 0.00 -1.45 -0.13 0.00 1.12 0.00 0.00 29.99 29.53 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 2.36 0.00 0.00 -0.41 1.02 -1.26 -4.73 120.64 117.62 1wg7 n GLU 141 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wg7 n GLU 141 Cb 0.55 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1wg7 n GLU 141 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wg7 n ASP 142 N 8.39 0.00 -3.62 1.62 2.03 -1.26 -5.18 116.55 118.53 1wg7 n ASP 142 Ca 0.57 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.75 1wg7 n ASP 142 Cb -0.01 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1wg7 n ASP 142 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wg7 s ASP 143 N 0.00 -0.35 -0.30 1.67 1.01 -1.26 -4.72 116.67 112.73 1wg7 s ASP 143 Ca 0.00 0.03 -0.13 0.00 0.71 0.00 0.00 52.55 53.16 1wg7 s ASP 143 Cb 0.00 0.46 0.18 0.00 1.01 0.00 0.00 42.92 44.57 1wg7 s ASP 143 CO 0.00 -0.72 1.06 -0.70 0.21 0.00 0.00 175.17 175.03 1wg7 s GLU 144 N -2.66 0.17 0.25 8.23 2.12 -1.26 -5.17 118.70 120.39 1wg7 s GLU 144 Ca -0.04 0.30 -0.14 0.00 0.36 0.00 0.00 54.97 55.45 1wg7 s GLU 144 Cb -0.00 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 1wg7 s GLU 144 CO -0.04 -0.19 0.50 0.45 -0.54 0.00 0.00 175.26 175.44 1wg7 s SER 145 N 2.96 -0.11 -0.04 -1.70 0.15 -1.26 -5.11 113.70 108.58 1wg7 s SER 145 Ca -0.01 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.78 1wg7 s SER 145 Cb -0.10 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1wg7 s SER 145 CO -0.11 -1.15 -0.04 -0.83 1.20 0.00 0.00 173.24 172.30 1wg7 s GLY 146 N -3.00 0.40 -0.07 9.45 0.00 -1.26 -5.06 107.32 107.79 1wg7 s GLY 146 Ca 0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 44.72 44.71 1wg7 s GLY 146 CO 0.08 0.34 0.60 -0.56 0.00 0.00 0.00 173.10 173.55 1wg7 h PRO 147 N 6.98 -0.22 -2.52 2.90 0.13 -2.10 -3.50 132.00 133.66 1wg7 h PRO 147 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wg7 h PRO 147 Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wg7 h PRO 147 CO 0.48 0.09 -0.63 0.43 -0.23 0.00 0.00 178.00 178.14 1wg7 n SER 148 N -4.92 -5.98 -4.34 1.44 7.64 -1.26 -5.05 113.62 101.15 1wg7 n SER 148 Ca -0.06 1.02 -0.18 0.00 1.01 0.00 0.00 58.87 60.66 1wg7 n SER 148 Cb 0.21 -3.02 -0.10 0.00 -1.01 0.00 0.00 64.21 60.29 1wg7 n SER 148 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg7 s SER 149 N -3.65 2.15 0.00 6.43 0.15 -1.26 -5.35 113.70 112.17 1wg7 s SER 149 Ca 0.00 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1wg7 s SER 149 Cb 0.00 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1wg7 s SER 149 CO 0.00 -0.38 0.37 0.61 1.20 0.00 0.00 173.24 175.04