#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 -6.80 -3.64 1.61 3.41 -1.26 -5.01 113.62 101.93 1wg7 n SER 2 Ca 0.00 0.99 -0.05 0.00 -0.26 0.00 0.00 58.87 59.55 1wg7 n SER 2 Cb 0.00 -4.22 -0.07 0.00 -0.26 0.00 0.00 64.21 59.66 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wg7 s SER 3 N -6.60 -0.54 0.73 4.04 0.01 -1.26 -5.17 113.70 104.92 1wg7 s SER 3 Ca 0.00 0.90 -0.11 0.00 1.31 0.00 0.00 55.95 58.04 1wg7 s SER 3 Cb 0.00 1.14 0.03 0.00 0.21 0.00 0.00 66.02 67.40 1wg7 s SER 3 CO 0.00 -0.14 1.08 -0.83 0.41 0.00 0.00 173.24 173.76 1wg7 s GLY 4 N 1.09 1.64 -0.02 3.44 0.00 -1.26 -5.07 107.32 107.14 1wg7 s GLY 4 Ca -0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1wg7 s GLY 4 CO -0.13 0.21 1.29 -0.56 0.00 0.00 0.00 173.10 173.91 1wg7 s SER 5 N -4.02 -0.05 -0.29 1.64 0.01 -1.26 -4.93 113.70 104.80 1wg7 s SER 5 Ca 0.59 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.55 1wg7 s SER 5 Cb -0.13 0.16 0.12 0.00 0.21 0.00 0.00 66.02 66.38 1wg7 s SER 5 CO 0.54 -0.29 0.86 -0.55 0.41 0.00 0.00 173.24 174.21 1wg7 s SER 6 N -3.05 -0.68 0.00 2.44 0.15 -1.26 -5.14 113.70 106.16 1wg7 s SER 6 Ca 0.15 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1wg7 s SER 6 Cb 0.05 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1wg7 s SER 6 CO -0.04 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wg7 n GLY 7 N 3.94 -0.49 3.91 9.45 0.00 -1.26 -5.16 105.19 115.57 1wg7 n GLY 7 Ca -0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.00 -1.88 0.06 4.61 0.00 -1.26 -5.19 121.76 117.10 1wg7 s ALA 8 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1wg7 s ALA 8 Cb 0.00 0.79 0.10 0.00 0.00 0.00 0.00 23.12 24.01 1wg7 s ALA 8 CO 0.00 -1.09 1.15 0.00 0.00 0.00 0.00 175.76 175.82 1wg7 s ALA 9 N -2.14 -1.99 -0.39 0.00 0.00 -1.26 -5.09 121.76 110.88 1wg7 s ALA 9 Ca 0.24 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1wg7 s ALA 9 Cb -0.02 0.49 0.24 0.00 0.00 0.00 0.00 23.12 23.83 1wg7 s ALA 9 CO 0.03 -1.05 1.06 0.43 0.00 0.00 0.00 175.76 176.23 1wg7 n SER 10 N -0.51 -1.97 -4.94 0.00 7.64 -1.26 -4.91 113.62 107.66 1wg7 n SER 10 Ca -0.07 -2.05 -0.27 0.00 1.01 0.00 0.00 58.87 57.49 1wg7 n SER 10 Cb 0.62 1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 64.89 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 0.17 4.33 0.00 -3.43 1.43 -1.26 -4.81 118.68 115.10 1wg7 s LEU 11 Ca 0.27 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1wg7 s LEU 11 Cb 0.16 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1wg7 s LEU 11 CO -0.12 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1wg7 n GLY 12 N -0.47 0.13 3.05 -3.19 0.00 -1.26 -4.85 105.19 98.59 1wg7 n GLY 12 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wg7 n SER 13 N 0.00 -7.04 -4.88 1.61 3.41 -1.23 -4.95 113.62 100.54 1wg7 n SER 13 Ca 0.00 0.70 -0.30 0.00 -0.26 0.00 0.00 58.87 59.01 1wg7 n SER 13 Cb 0.00 -3.04 -0.03 0.00 -0.26 0.00 0.00 64.21 60.87 1wg7 n SER 13 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wg7 s GLN 14 N -1.44 3.75 -0.32 4.33 1.11 -1.26 -5.03 119.66 120.81 1wg7 s GLN 14 Ca 0.05 0.37 -0.15 0.00 0.01 0.00 0.00 55.36 55.65 1wg7 s GLN 14 Cb -0.01 -2.44 -0.02 0.00 -1.01 0.00 0.00 33.01 29.53 1wg7 s GLN 14 CO 0.38 0.01 0.35 0.21 0.01 0.00 0.00 175.29 176.26 1wg7 s LYS 15 N -3.79 3.72 0.00 2.91 2.20 -1.26 -4.89 119.74 118.63 1wg7 s LYS 15 Ca 0.50 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1wg7 s LYS 15 Cb -0.10 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1wg7 s LYS 15 CO 0.31 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1wg7 n GLY 16 N 4.89 2.21 0.00 5.54 0.00 -1.26 -4.92 105.19 111.65 1wg7 n GLY 16 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.76 0.00 -0.02 0.00 -1.26 -5.13 105.19 99.54 1wg7 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.16 119.36 117.75 1wg7 n ILE 18 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1wg7 n ILE 18 Cb 0.00 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 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 -0.39 0.00 -3.65 1.39 5.66 -1.26 -4.96 114.28 111.07 1wg7 n THR 19 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1wg7 n THR 19 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 0.03 -0.04 1.09 2.20 -1.26 -5.02 119.74 114.74 1wg7 s LYS 20 Ca 0.00 0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1wg7 s LYS 20 Cb 0.00 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1wg7 s LYS 20 CO 0.00 -0.01 0.11 -3.38 -0.36 0.00 0.00 175.35 171.72 1wg7 s HIS 21 N -0.27 -0.11 0.00 4.03 -3.43 -1.26 -2.07 115.29 112.18 1wg7 s HIS 21 Ca 0.08 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 1wg7 s HIS 21 Cb -0.04 0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1wg7 s HIS 21 CO -0.14 -0.07 0.00 0.41 -2.00 0.00 0.00 174.74 172.94 1wg7 n GLY 22 N 2.92 2.16 3.86 -1.38 0.00 -1.22 -5.06 105.19 106.46 1wg7 n GLY 22 Ca -0.13 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 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 3.48 0.24 1.61 0.52 -1.26 -2.10 118.94 119.43 1wg7 s TRP 23 Ca 0.00 1.28 -0.00 0.00 0.02 0.00 0.00 56.10 57.40 1wg7 s TRP 23 Cb 0.00 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1wg7 s TRP 23 CO 0.00 -0.30 0.32 1.28 0.02 0.00 0.00 176.95 178.27 1wg7 n LEU 24 N -1.59 0.00 -3.68 2.99 4.77 -0.52 -4.81 117.00 114.16 1wg7 n LEU 24 Ca 0.05 -2.03 -0.28 0.00 -0.03 0.00 0.00 56.01 53.72 1wg7 n LEU 24 Cb 0.54 1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 43.19 1wg7 n LEU 24 CO 0.48 -0.44 -0.21 -0.31 -1.33 0.00 0.00 177.39 175.58 1wg7 s TYR 25 N -3.45 2.18 0.23 -1.77 2.02 0.17 -1.78 117.35 114.95 1wg7 s TYR 25 Ca 0.21 -2.64 -0.25 0.00 -0.37 0.00 0.00 57.07 54.02 1wg7 s TYR 25 Cb -0.00 -1.86 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1wg7 s TYR 25 CO 0.15 -0.73 0.83 0.21 -1.57 0.00 0.00 175.55 174.45 1wg7 s LYS 26 N -0.21 4.54 0.00 -0.62 2.20 -0.46 -2.43 119.74 122.75 1wg7 s LYS 26 Ca 0.23 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1wg7 s LYS 26 Cb -0.12 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1wg7 s LYS 26 CO -0.09 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 1wg7 n GLY 27 N 1.08 4.94 2.81 5.54 0.00 -0.19 -1.59 105.19 117.78 1wg7 n GLY 27 Ca -0.02 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg7 s ASN 28 N 1.17 2.85 -0.12 1.61 2.47 -1.20 -3.87 114.94 117.86 1wg7 s ASN 28 Ca 0.00 -0.74 -0.28 0.00 0.42 0.00 0.00 52.86 52.27 1wg7 s ASN 28 Cb 0.00 -0.74 -0.02 0.00 -1.45 0.00 0.00 41.25 39.05 1wg7 s ASN 28 CO 0.00 -0.25 0.93 -0.04 -3.72 0.00 0.00 177.10 174.02 1wg7 s MET 29 N 1.75 4.39 0.40 0.43 -1.94 -1.23 -3.76 119.30 119.34 1wg7 s MET 29 Ca -0.00 1.24 0.05 0.00 -1.71 0.00 0.00 55.69 55.27 1wg7 s MET 29 Cb -0.16 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 1wg7 s MET 29 CO -0.07 -0.27 0.19 -0.80 -0.01 0.00 0.00 175.02 174.06 1wg7 s ASN 30 N 1.09 2.54 0.00 3.03 -0.87 -1.25 -4.91 114.94 114.55 1wg7 s ASN 30 Ca 0.45 -1.76 0.00 0.00 -1.57 0.00 0.00 52.86 49.98 1wg7 s ASN 30 Cb -0.18 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.65 1wg7 s ASN 30 CO 0.17 -1.03 0.36 -1.20 -2.57 0.00 0.00 177.10 172.84 1wg7 n SER 31 N -1.52 0.00 -3.55 -1.22 7.64 -1.26 -4.45 113.62 109.25 1wg7 n SER 31 Ca -0.02 0.36 -0.18 0.00 1.01 0.00 0.00 58.87 60.05 1wg7 n SER 31 Cb 0.64 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.00 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 -1.43 -0.92 -0.11 -0.43 0.00 -1.26 -4.86 120.51 111.50 1wg7 n ALA 32 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 53.44 52.11 1wg7 n ALA 32 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.52 1.53 0.31 0.00 0.13 -1.26 -3.33 119.36 112.21 1wg7 n ILE 33 Ca 0.07 -0.14 0.16 0.00 -1.10 0.00 0.00 62.75 61.74 1wg7 n ILE 33 Cb 0.36 -2.01 0.84 0.00 -0.84 0.00 0.00 39.64 37.99 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 0.56 9.51 0.02 -1.95 1.40 113.55 122.09 1wg7 h SER 34 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1wg7 h SER 34 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1wg7 h SER 34 CO -0.27 0.00 -1.25 0.55 -1.14 0.00 0.00 176.83 174.71 1wg7 n VAL 35 N -2.79 0.31 -0.03 2.27 3.14 -1.26 -3.63 118.33 116.34 1wg7 n VAL 35 Ca -0.02 -0.43 -0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1wg7 n VAL 35 Cb 0.29 -0.07 -0.11 0.00 -1.06 0.00 0.00 33.84 32.89 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 1.47 -0.97 1.55 1.03 0.19 -3.31 112.91 112.87 1wg7 h THR 36 Ca 0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 66.41 64.67 1wg7 h THR 36 Cb 0.91 2.60 -0.05 0.00 -1.07 0.00 0.00 68.15 70.54 1wg7 h THR 36 CO 0.00 0.43 0.61 0.24 -0.01 0.00 0.00 175.52 176.79 1wg7 h MET 37 N -0.81 1.30 -7.07 0.00 2.86 -1.50 -3.16 114.93 106.55 1wg7 h MET 37 Ca -0.00 -0.10 -0.61 0.00 -2.06 0.00 0.00 59.70 56.93 1wg7 h MET 37 Cb 0.73 -0.28 -0.36 0.00 0.06 0.00 0.00 31.60 31.75 1wg7 h MET 37 CO 0.00 0.89 -0.89 0.54 1.06 0.00 0.00 176.91 178.52 1wg7 n ARG 38 N -4.36 -0.75 -3.11 1.72 5.12 -1.24 -1.31 116.66 112.73 1wg7 n ARG 38 Ca 0.11 0.13 -0.11 0.00 -1.93 0.00 0.00 57.85 56.05 1wg7 n ARG 38 Cb 0.04 -4.44 0.01 0.00 -1.16 0.00 0.00 32.46 26.91 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 -7.25 -3.57 0.55 7.64 -1.26 -4.65 113.62 102.67 1wg7 n SER 39 Ca 0.06 0.08 -0.51 0.00 1.01 0.00 0.00 58.87 59.52 1wg7 n SER 39 Cb 0.46 -4.48 -0.09 0.00 -1.01 0.00 0.00 64.21 59.10 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 -1.03 1.14 -3.37 1.43 3.01 -0.43 -4.86 117.46 113.36 1wg7 n PHE 40 Ca 0.00 0.75 -0.38 0.00 1.01 0.00 0.00 57.45 58.84 1wg7 n PHE 40 Cb 0.53 -1.80 -0.06 0.00 -0.01 0.00 0.00 39.48 38.14 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1wg7 s LYS 41 N 3.68 4.32 -0.13 -1.08 2.36 -0.62 -4.91 119.74 123.36 1wg7 s LYS 41 Ca 0.90 0.37 -0.25 0.00 -2.55 0.00 0.00 55.97 54.44 1wg7 s LYS 41 Cb -1.19 -3.43 -0.02 0.00 -1.05 0.00 0.00 37.83 32.13 1wg7 s LYS 41 CO 0.58 0.18 0.80 0.50 1.55 0.00 0.00 175.35 178.96 1wg7 s ARG 42 N 0.57 4.35 0.03 4.03 3.52 -1.26 -1.35 118.95 128.83 1wg7 s ARG 42 Ca 0.24 0.99 -0.13 0.00 -0.13 0.00 0.00 55.73 56.69 1wg7 s ARG 42 Cb -0.15 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1wg7 s ARG 42 CO 0.09 -0.20 0.29 1.03 -0.81 0.00 0.00 175.30 175.70 1wg7 s ARG 43 N 1.69 0.75 0.24 5.12 0.52 -0.73 -4.98 118.95 121.56 1wg7 s ARG 43 Ca 0.39 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 1wg7 s ARG 43 Cb -0.17 0.32 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 1wg7 s ARG 43 CO 0.15 -0.23 0.97 0.12 0.02 0.00 0.00 175.30 176.33 1wg7 s PHE 44 N -2.19 3.91 -0.21 -0.53 5.36 -0.88 -1.44 117.98 122.00 1wg7 s PHE 44 Ca -0.08 1.87 -0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1wg7 s PHE 44 Cb -0.02 -3.04 0.05 0.00 -0.34 0.00 0.00 43.02 39.67 1wg7 s PHE 44 CO -0.01 0.26 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.92 1wg7 s PHE 45 N -1.10 1.93 -0.15 10.12 0.40 -0.89 -0.27 117.98 128.02 1wg7 s PHE 45 Ca 0.42 -1.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1wg7 s PHE 45 Cb -0.27 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1wg7 s PHE 45 CO 0.33 -0.70 -0.06 -1.58 0.70 0.00 0.00 175.22 173.91 1wg7 s HIS 46 N 1.55 2.97 -0.07 0.36 5.65 0.28 -3.42 115.29 122.62 1wg7 s HIS 46 Ca -0.03 -0.36 -0.22 0.00 0.25 0.00 0.00 55.06 54.70 1wg7 s HIS 46 Cb -0.17 -1.92 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 1wg7 s HIS 46 CO -0.07 -0.06 0.64 -1.17 -0.65 0.00 0.00 174.74 173.43 1wg7 s LEU 47 N 0.31 4.32 0.02 8.88 2.96 -0.88 -0.78 118.68 133.50 1wg7 s LEU 47 Ca -0.05 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1wg7 s LEU 47 Cb -0.14 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1wg7 s LEU 47 CO 0.04 -0.07 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.43 1wg7 s ILE 48 N 0.66 0.44 -0.29 6.68 2.07 -0.44 -4.61 121.20 125.71 1wg7 s ILE 48 Ca 0.34 -0.61 -0.19 0.00 -1.41 0.00 0.00 60.65 58.79 1wg7 s ILE 48 Cb -0.17 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 1wg7 s ILE 48 CO 0.16 -0.12 0.56 -1.58 -1.91 0.00 0.00 174.94 172.05 1wg7 s GLN 49 N -0.79 3.93 1.06 3.50 0.74 -1.26 -0.45 119.66 126.39 1wg7 s GLN 49 Ca -0.04 0.23 -0.17 0.00 0.05 0.00 0.00 55.36 55.43 1wg7 s GLN 49 Cb -0.06 -3.71 0.05 0.00 1.10 0.00 0.00 33.01 30.40 1wg7 s GLN 49 CO 0.00 -0.48 -0.02 1.28 -0.55 0.00 0.00 175.29 175.52 1wg7 n LEU 50 N 5.70 -1.91 -2.42 3.68 7.99 -0.12 -4.75 117.00 125.17 1wg7 n LEU 50 Ca -0.03 0.03 -0.21 0.00 -0.01 0.00 0.00 56.01 55.79 1wg7 n LEU 50 Cb 0.49 -0.99 -0.13 0.00 -0.11 0.00 0.00 43.42 42.69 1wg7 n LEU 50 CO 0.43 -3.34 2.19 0.61 -1.51 0.00 0.00 177.39 175.78 1wg7 n GLY 51 N 2.04 3.40 2.14 -0.72 0.00 -1.26 -3.52 105.19 107.27 1wg7 n GLY 51 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 52 N 2.84 -2.58 0.00 1.61 8.00 -1.26 -5.06 116.55 120.10 1wg7 n ASP 52 Ca 0.54 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1wg7 n ASP 52 Cb 0.70 2.53 0.00 0.00 -0.02 0.00 0.00 41.12 44.33 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 -0.89 0.65 3.53 0.44 0.00 -1.23 -3.53 105.19 104.16 1wg7 n GLY 53 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 1.31 0.01 1.61 0.01 -1.26 -4.65 113.70 110.73 1wg7 s SER 54 Ca 0.00 1.44 0.08 0.00 1.31 0.00 0.00 55.95 58.78 1wg7 s SER 54 Cb 0.00 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1wg7 s SER 54 CO 0.00 -3.98 -0.24 -0.31 0.41 0.00 0.00 173.24 169.12 1wg7 s TYR 55 N -2.58 2.13 -0.04 2.43 1.51 -1.26 -0.95 117.35 118.60 1wg7 s TYR 55 Ca 0.68 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1wg7 s TYR 55 Cb -0.24 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1wg7 s TYR 55 CO 0.63 0.04 -0.06 -0.80 -1.11 0.00 0.00 175.55 174.25 1wg7 s ASN 56 N -0.90 1.03 -0.57 2.29 -0.87 0.41 -3.70 114.94 112.63 1wg7 s ASN 56 Ca 0.10 -0.15 -0.20 0.00 -1.57 0.00 0.00 52.86 51.03 1wg7 s ASN 56 Cb -0.09 -0.41 0.07 0.00 -0.02 0.00 0.00 41.25 40.80 1wg7 s ASN 56 CO 0.01 -0.00 0.75 -0.22 -2.57 0.00 0.00 177.10 175.06 1wg7 s LEU 57 N 0.58 4.89 -0.12 0.60 2.96 -1.17 -1.33 118.68 125.09 1wg7 s LEU 57 Ca -0.08 -1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 52.70 1wg7 s LEU 57 Cb -0.12 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1wg7 s LEU 57 CO 0.01 -1.10 0.24 0.20 -1.32 0.00 0.00 176.35 174.37 1wg7 s ASN 58 N 3.18 6.45 0.00 3.68 0.01 0.04 -1.09 114.94 127.20 1wg7 s ASN 58 Ca 0.17 0.53 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 1wg7 s ASN 58 Cb -0.19 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 1wg7 s ASN 58 CO 0.11 0.26 -0.18 0.72 -1.51 0.00 0.00 177.10 176.50 1wg7 s PHE 59 N -0.35 2.58 0.34 2.20 -0.71 -1.24 0.99 117.98 121.80 1wg7 s PHE 59 Ca 0.16 -0.24 0.08 0.00 -1.04 0.00 0.00 56.93 55.88 1wg7 s PHE 59 Cb -0.13 -1.53 -0.07 0.00 -1.21 0.00 0.00 43.02 40.09 1wg7 s PHE 59 CO 0.05 0.19 -0.05 0.71 -1.34 0.00 0.00 175.22 174.78 1wg7 s TYR 60 N -0.82 2.30 0.28 3.49 1.51 0.62 -1.35 117.35 123.38 1wg7 s TYR 60 Ca 0.13 -0.61 0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1wg7 s TYR 60 Cb -0.10 -1.40 0.46 0.00 -0.11 0.00 0.00 41.96 40.81 1wg7 s TYR 60 CO 0.03 0.45 1.67 -0.22 -1.11 0.00 0.00 175.55 176.36 1wg7 h LYS 61 N 2.03 0.00 -4.91 -0.62 3.64 -1.92 -2.35 116.57 112.45 1wg7 h LYS 61 Ca -0.42 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.56 1wg7 h LYS 61 Cb 1.24 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.92 1wg7 h LYS 61 CO 0.72 0.54 -0.58 0.16 -2.27 0.00 0.00 179.45 178.02 1wg7 s ASP 62 N -6.81 1.51 0.26 4.20 1.47 -1.26 -4.65 116.67 111.39 1wg7 s ASP 62 Ca -0.01 -1.49 -0.02 0.00 1.18 0.00 0.00 52.55 52.20 1wg7 s ASP 62 Cb 0.13 0.29 0.33 0.00 -0.34 0.00 0.00 42.92 43.33 1wg7 s ASP 62 CO 0.75 -0.82 1.78 -0.33 0.68 0.00 0.00 175.17 177.23 1wg7 h GLU 63 N 2.25 0.84 -5.59 2.11 5.08 -1.97 -3.40 114.58 113.90 1wg7 h GLU 63 Ca -0.36 -0.20 -0.38 0.00 -1.00 0.00 0.00 59.36 57.42 1wg7 h GLU 63 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wg7 h GLU 63 CO 0.56 0.80 1.30 0.15 -1.00 0.00 0.00 179.01 180.83 1wg7 s LYS 64 N -5.09 2.04 0.00 2.33 1.02 -1.26 -4.88 119.74 113.89 1wg7 s LYS 64 Ca -0.10 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1wg7 s LYS 64 Cb 0.15 -4.62 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 1wg7 s LYS 64 CO 0.81 -3.48 0.00 0.44 -0.92 0.00 0.00 175.35 172.20 1wg7 n ILE 65 N 8.10 0.00 0.00 2.17 -5.35 -1.26 -4.71 119.36 118.30 1wg7 n ILE 65 Ca 0.38 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.86 1wg7 n ILE 65 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -3.50 7.28 2.88 -1.26 -4.90 113.62 114.12 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 0.18 -2.76 -1.46 5.02 -1.26 -4.92 118.16 112.96 1wg7 n LYS 67 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1wg7 n LYS 67 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1wg7 n LYS 67 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wg7 s GLU 68 N -0.94 4.45 0.98 1.97 2.12 -1.26 -5.04 118.70 120.98 1wg7 s GLU 68 Ca 0.00 1.30 -0.17 0.00 0.36 0.00 0.00 54.97 56.46 1wg7 s GLU 68 Cb 0.00 -3.51 0.24 0.00 0.26 0.00 0.00 34.13 31.12 1wg7 s GLU 68 CO 0.00 -0.19 1.08 -0.35 -0.54 0.00 0.00 175.26 175.26 1wg7 n PRO 69 N 4.53 -2.02 0.06 4.30 -0.04 -1.26 -4.98 135.00 135.59 1wg7 n PRO 69 Ca 0.06 -1.70 0.11 0.00 -0.04 0.00 0.00 63.50 61.94 1wg7 n PRO 69 Cb 0.50 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1wg7 n PRO 69 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wg7 n LYS 70 N -3.98 0.54 -1.43 0.54 4.76 -0.46 -5.02 118.16 113.11 1wg7 n LYS 70 Ca 0.14 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1wg7 n LYS 70 Cb 0.52 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1wg7 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wg7 n GLY 71 N 1.25 -0.66 3.65 0.72 0.00 -1.25 -5.04 105.19 103.86 1wg7 n GLY 71 Ca -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.00 -0.10 -0.15 1.61 0.15 -1.26 -3.61 113.70 106.35 1wg7 s SER 72 Ca 0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1wg7 s SER 72 Cb 0.00 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1wg7 s SER 72 CO 0.00 -0.45 -0.21 -0.63 1.20 0.00 0.00 173.24 173.15 1wg7 s ILE 73 N -2.65 2.02 -1.26 6.45 1.01 -0.25 -4.93 121.20 121.59 1wg7 s ILE 73 Ca 0.13 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1wg7 s ILE 73 Cb 0.03 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1wg7 s ILE 73 CO -0.03 0.54 1.83 0.49 0.00 0.00 0.00 174.94 177.77 1wg7 n PHE 74 N 4.21 3.97 -0.06 3.97 3.72 -1.26 -3.02 117.46 129.00 1wg7 n PHE 74 Ca -0.20 -2.41 0.22 0.00 -0.05 0.00 0.00 57.45 55.00 1wg7 n PHE 74 Cb 0.51 -2.61 0.69 0.00 -0.94 0.00 0.00 39.48 37.13 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 14.01 0.03 -2.22 4.37 3.38 -1.92 1.29 115.31 134.24 1wg7 h LEU 75 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1wg7 h LEU 75 Cb 0.87 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1wg7 h LEU 75 CO 1.42 0.01 -0.05 -2.24 0.09 0.00 0.00 178.44 177.67 1wg7 h ASP 76 N 0.03 0.00 0.00 -0.43 2.03 -1.85 -2.64 116.42 113.55 1wg7 h ASP 76 Ca 0.30 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.30 1wg7 h ASP 76 Cb 1.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 1wg7 h ASP 76 CO -0.01 0.05 -2.13 -1.20 -1.03 0.00 0.00 179.24 174.92 1wg7 n SER 77 N -3.46 1.39 -4.51 4.15 7.64 0.38 -4.98 113.62 114.23 1wg7 n SER 77 Ca -0.02 -0.03 -0.53 0.00 1.01 0.00 0.00 58.87 59.30 1wg7 n SER 77 Cb 0.18 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.88 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 2.83 0.26 0.00 0.00 2.86 0.17 -3.46 114.93 117.58 1wg7 h MET 79 Ca -0.43 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 56.76 1wg7 h MET 79 Cb 1.39 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.22 1wg7 h MET 79 CO 0.66 1.12 0.00 0.41 1.06 0.00 0.00 176.91 180.16 1wg7 n GLY 80 N 1.78 -0.68 3.48 8.32 0.00 -1.16 -4.96 105.19 111.96 1wg7 n GLY 80 Ca -0.22 -1.20 -0.34 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 3.99 0.36 1.61 1.01 -1.26 -1.46 120.40 122.65 1wg7 s VAL 81 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1wg7 s VAL 81 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1wg7 s VAL 81 CO 0.00 0.45 0.51 0.68 0.00 0.00 0.00 175.10 176.74 1wg7 s VAL 82 N 0.75 4.01 -0.14 2.92 -7.23 -0.12 -4.97 120.40 115.63 1wg7 s VAL 82 Ca -0.00 -0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 1wg7 s VAL 82 Cb -0.14 -3.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1wg7 s VAL 82 CO 0.02 -0.17 -0.00 -1.10 -0.31 0.00 0.00 175.10 173.53 1wg7 s GLN 83 N -4.24 3.52 0.03 4.82 -0.21 -1.26 -2.86 119.66 119.45 1wg7 s GLN 83 Ca 0.46 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1wg7 s GLN 83 Cb -0.10 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 1wg7 s GLN 83 CO 0.32 0.40 0.00 -1.71 -2.12 0.00 0.00 175.29 172.19 1wg7 n ASN 84 N 3.07 1.67 0.00 5.90 5.15 0.95 -4.91 115.26 127.10 1wg7 n ASN 84 Ca -0.18 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.66 1wg7 n ASN 84 Cb 0.53 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1wg7 n ASN 84 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1wg7 n ASN 85 N -1.39 0.00 0.14 1.20 2.85 -1.24 -4.36 115.26 112.46 1wg7 n ASN 85 Ca -0.01 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.65 1wg7 n ASN 85 Cb 0.04 0.00 0.70 0.00 1.24 0.00 0.00 39.78 41.77 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 -1.94 -2.03 116.57 115.59 1wg7 h LYS 86 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1wg7 h LYS 86 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1wg7 h LYS 86 CO 0.00 0.00 -1.83 1.33 -1.08 0.00 0.00 179.45 177.87 1wg7 n VAL 87 N -3.39 1.52 -3.73 0.50 0.24 -1.26 -5.01 118.33 107.19 1wg7 n VAL 87 Ca 0.06 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 1wg7 n VAL 87 Cb 0.66 -2.09 -0.12 0.00 -1.47 0.00 0.00 33.84 30.82 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wg7 s ARG 88 N -2.66 0.27 0.22 7.34 3.52 -0.76 -5.03 118.95 121.85 1wg7 s ARG 88 Ca -0.34 0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1wg7 s ARG 88 Cb 0.10 -0.05 0.54 0.00 -1.56 0.00 0.00 34.95 33.98 1wg7 s ARG 88 CO 0.46 -0.14 1.11 0.54 -0.81 0.00 0.00 175.30 176.46 1wg7 n ARG 89 N 3.99 -0.06 -3.69 5.12 5.12 -1.25 -1.30 116.66 124.60 1wg7 n ARG 89 Ca -0.23 1.06 -0.32 0.00 -1.93 0.00 0.00 57.85 56.44 1wg7 n ARG 89 Cb 0.54 -1.69 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 1wg7 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1wg7 n PHE 90 N -4.97 3.70 -4.08 -1.55 3.72 -1.26 -4.61 117.46 108.42 1wg7 n PHE 90 Ca 0.17 -4.15 -0.18 0.00 -0.05 0.00 0.00 57.45 53.23 1wg7 n PHE 90 Cb 0.54 -0.87 -0.16 0.00 -0.94 0.00 0.00 39.48 38.05 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 -1.62 0.51 -0.03 4.37 0.00 -0.42 -2.65 121.76 121.93 1wg7 s ALA 91 Ca 0.28 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1wg7 s ALA 91 Cb -0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1wg7 s ALA 91 CO -0.12 -0.02 -0.13 -0.59 0.00 0.00 0.00 175.76 174.90 1wg7 s PHE 92 N 0.89 1.26 -0.06 0.00 -0.71 0.72 -0.03 117.98 120.04 1wg7 s PHE 92 Ca -0.11 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 55.40 1wg7 s PHE 92 Cb -0.14 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.78 1wg7 s PHE 92 CO -0.00 -0.10 0.20 -2.00 -1.34 0.00 0.00 175.22 171.98 1wg7 s GLU 93 N 0.01 3.51 -0.50 1.99 2.12 -1.14 0.04 118.70 124.73 1wg7 s GLU 93 Ca -0.01 -0.10 -0.17 0.00 0.36 0.00 0.00 54.97 55.05 1wg7 s GLU 93 Cb -0.09 -3.15 0.08 0.00 0.26 0.00 0.00 34.13 31.23 1wg7 s GLU 93 CO 0.01 0.73 0.51 -0.51 -0.54 0.00 0.00 175.26 175.45 1wg7 s LEU 94 N -1.35 5.48 -0.43 2.70 2.01 0.11 -0.94 118.68 126.26 1wg7 s LEU 94 Ca 0.21 -1.28 -0.28 0.00 0.01 0.00 0.00 54.13 52.79 1wg7 s LEU 94 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 46.19 43.80 1wg7 s LEU 94 CO 0.10 -0.79 1.49 -0.54 1.01 0.00 0.00 176.35 177.62 1wg7 s LYS 95 N 2.02 3.45 0.29 1.70 -0.14 -0.53 -2.39 119.74 124.15 1wg7 s LYS 95 Ca 0.08 0.91 0.04 0.00 -1.36 0.00 0.00 55.97 55.64 1wg7 s LYS 95 Cb -0.24 -4.08 -0.03 0.00 -1.68 0.00 0.00 37.83 31.81 1wg7 s LYS 95 CO 0.08 -1.72 0.44 -1.64 -0.76 0.00 0.00 175.35 171.75 1wg7 s MET 96 N 5.22 3.37 0.05 1.68 -1.94 -0.54 0.18 119.30 127.33 1wg7 s MET 96 Ca 0.63 -0.69 0.23 0.00 -1.71 0.00 0.00 55.69 54.15 1wg7 s MET 96 Cb -0.14 -2.81 0.07 0.00 2.01 0.00 0.00 34.83 33.96 1wg7 s MET 96 CO 0.31 0.26 1.05 0.00 -0.01 0.00 0.00 175.02 176.63 1wg7 n GLN 97 N -1.58 0.29 -1.05 2.03 10.64 -1.18 -4.20 117.38 122.34 1wg7 n GLN 97 Ca -0.06 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 54.95 1wg7 n GLN 97 Cb 0.57 -1.60 -0.03 0.00 -0.86 0.00 0.00 30.24 28.32 1wg7 n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wg7 n ASP 98 N -1.97 6.11 -3.44 2.61 8.00 -1.26 -4.83 116.55 121.76 1wg7 n ASP 98 Ca 0.02 -2.92 -0.35 0.00 0.71 0.00 0.00 54.79 52.25 1wg7 n ASP 98 Cb 0.44 -1.19 0.03 0.00 -0.02 0.00 0.00 41.12 40.38 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 1.04 -1.85 0.00 -1.24 5.02 -1.26 -4.94 118.16 114.93 1wg7 n LYS 99 Ca 0.34 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 58.06 1wg7 n LYS 99 Cb 0.62 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg7 n SER 100 N -0.07 0.00 -3.64 4.39 2.88 -1.26 -5.08 113.62 110.84 1wg7 n SER 100 Ca -0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.37 1wg7 n SER 100 Cb 0.66 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.57 -0.24 -3.46 1.04 -1.26 -1.47 113.70 107.74 1wg7 s SER 101 Ca 0.00 1.08 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 1wg7 s SER 101 Cb 0.00 1.12 -0.04 0.00 0.10 0.00 0.00 66.02 67.19 1wg7 s SER 101 CO 0.00 -0.19 0.13 -0.31 0.98 0.00 0.00 173.24 173.85 1wg7 s TYR 102 N 0.41 3.23 -0.82 5.02 2.02 -1.00 -4.39 117.35 121.82 1wg7 s TYR 102 Ca 0.01 0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 1wg7 s TYR 102 Cb -0.05 -2.25 0.07 0.00 -0.40 0.00 0.00 41.96 39.33 1wg7 s TYR 102 CO -0.05 -0.06 1.17 -1.17 -1.57 0.00 0.00 175.55 173.87 1wg7 s LEU 103 N 1.20 4.13 0.39 -1.29 0.20 -1.25 0.07 118.68 122.13 1wg7 s LEU 103 Ca 0.06 -1.25 -0.01 0.00 0.69 0.00 0.00 54.13 53.62 1wg7 s LEU 103 Cb -0.14 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 1wg7 s LEU 103 CO 0.05 -1.44 0.63 -0.76 -0.29 0.00 0.00 176.35 174.54 1wg7 s LEU 104 N 4.23 3.88 -0.21 -0.68 1.43 0.11 -1.02 118.68 126.41 1wg7 s LEU 104 Ca 0.32 0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 53.76 1wg7 s LEU 104 Cb -0.09 -3.50 0.09 0.00 0.03 0.00 0.00 46.19 42.72 1wg7 s LEU 104 CO 0.02 -0.40 0.82 0.00 0.23 0.00 0.00 176.35 177.02 1wg7 s ALA 105 N -2.47 -1.84 0.41 4.21 0.00 -1.02 -0.20 121.76 120.85 1wg7 s ALA 105 Ca 0.43 1.78 0.08 0.00 0.00 0.00 0.00 51.96 54.25 1wg7 s ALA 105 Cb -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1wg7 s ALA 105 CO 0.39 -0.32 0.31 0.00 0.00 0.00 0.00 175.76 176.14 1wg7 s ALA 106 N -0.18 3.89 -0.64 0.00 0.00 -1.08 0.44 121.76 124.20 1wg7 s ALA 106 Ca -0.02 -1.95 0.25 0.00 0.00 0.00 0.00 51.96 50.24 1wg7 s ALA 106 Cb -0.03 -0.81 0.57 0.00 0.00 0.00 0.00 23.12 22.85 1wg7 s ALA 106 CO 0.01 -0.19 1.60 -0.44 0.00 0.00 0.00 175.76 176.74 1wg7 h ASP 107 N 1.17 0.00 -5.29 0.00 3.32 -1.88 -3.45 116.42 110.29 1wg7 h ASP 107 Ca -0.42 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 1wg7 h ASP 107 Cb 1.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.67 1wg7 h ASP 107 CO 0.61 0.03 -0.45 -0.44 -1.72 0.00 0.00 179.24 177.27 1wg7 s SER 108 N -4.77 0.17 0.20 6.45 0.01 -1.26 -5.05 113.70 109.46 1wg7 s SER 108 Ca 0.08 -0.94 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 1wg7 s SER 108 Cb 0.11 0.36 0.24 0.00 0.21 0.00 0.00 66.02 66.94 1wg7 s SER 108 CO 0.65 -0.79 1.78 1.05 0.41 0.00 0.00 173.24 176.34 1wg7 h GLU 109 N 2.72 0.54 0.48 12.44 4.11 -1.95 -0.02 114.58 132.92 1wg7 h GLU 109 Ca -0.33 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.05 1wg7 h GLU 109 Cb 1.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1wg7 h GLU 109 CO 0.54 0.36 -0.42 -0.24 0.07 0.00 0.00 179.01 179.32 1wg7 h VAL 110 N 0.56 0.00 0.00 -1.06 3.04 -1.97 1.21 116.25 118.03 1wg7 h VAL 110 Ca 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1wg7 h VAL 110 Cb 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.53 1wg7 h VAL 110 CO -0.22 0.00 0.28 -0.33 -1.01 0.00 0.00 177.57 176.29 1wg7 h GLU 111 N -0.88 0.00 0.03 4.17 5.08 -1.89 1.31 114.58 122.39 1wg7 h GLU 111 Ca -0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 1wg7 h GLU 111 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1wg7 h GLU 111 CO -0.01 0.00 -1.81 -0.12 -1.00 0.00 0.00 179.01 176.07 1wg7 n MET 112 N -2.72 0.67 0.05 2.33 1.56 0.04 -3.92 117.12 115.13 1wg7 n MET 112 Ca -0.02 0.28 -0.15 0.00 -0.27 0.00 0.00 57.70 57.54 1wg7 n MET 112 Cb 0.32 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.79 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 0.02 0.19 0.07 2.12 4.11 0.60 -2.81 114.58 118.88 1wg7 h GLU 113 Ca -0.33 -0.32 0.02 0.00 0.07 0.00 0.00 59.36 58.80 1wg7 h GLU 113 Cb 2.03 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 31.35 1wg7 h GLU 113 CO 0.08 1.03 -0.39 0.93 0.07 0.00 0.00 179.01 180.72 1wg7 h GLU 114 N 0.05 -0.58 0.47 1.06 5.08 0.12 0.28 114.58 121.07 1wg7 h GLU 114 Ca -0.23 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1wg7 h GLU 114 Cb 1.99 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1wg7 h GLU 114 CO 0.15 -0.38 -0.23 -1.49 -1.00 0.00 0.00 179.01 176.05 1wg7 h TRP 115 N -0.60 -0.59 -1.21 4.33 4.06 -1.71 -0.42 115.95 119.81 1wg7 h TRP 115 Ca 0.03 -0.01 0.40 0.00 2.06 0.00 0.00 58.89 61.37 1wg7 h TRP 115 Cb 0.65 0.19 -0.10 0.00 -1.00 0.00 0.00 29.16 28.90 1wg7 h TRP 115 CO -0.37 -0.27 0.80 -0.89 -3.56 0.00 0.00 178.44 174.16 1wg7 n ILE 116 N -5.26 -0.17 -0.02 1.49 5.41 -1.06 0.68 119.36 120.43 1wg7 n ILE 116 Ca -0.11 1.41 -0.00 0.00 1.00 0.00 0.00 62.75 65.05 1wg7 n ILE 116 Cb 0.31 -2.32 -0.00 0.00 -0.71 0.00 0.00 39.64 36.91 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 -0.96 1.39 2.02 -0.50 -2.93 112.91 111.93 1wg7 h THR 117 Ca 0.72 -0.32 0.19 0.00 0.77 0.00 0.00 66.41 67.78 1wg7 h THR 117 Cb 2.45 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 68.67 1wg7 h THR 117 CO -0.31 0.00 -0.25 -0.38 0.37 0.00 0.00 175.52 174.95 1wg7 n ILE 118 N -2.90 -0.41 0.15 3.11 -0.00 0.33 0.36 119.36 120.00 1wg7 n ILE 118 Ca -0.00 2.21 -0.10 0.00 -0.00 0.00 0.00 62.75 64.85 1wg7 n ILE 118 Cb 0.02 -3.04 -0.06 0.00 -0.00 0.00 0.00 39.64 36.56 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 -0.79 -0.10 1.39 4.07 0.08 0.19 115.31 120.16 1wg7 h LEU 119 Ca 0.45 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.48 1wg7 h LEU 119 Cb 0.69 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1wg7 h LEU 119 CO -0.99 -0.37 0.00 -0.46 -1.08 0.00 0.00 178.44 175.54 1wg7 n ASN 120 N -4.09 0.05 0.04 -0.43 0.23 0.61 -1.03 115.26 110.66 1wg7 n ASN 120 Ca -0.07 0.52 -0.08 0.00 -0.53 0.00 0.00 54.58 54.43 1wg7 n ASN 120 Cb 0.26 -0.53 -0.06 0.00 -2.08 0.00 0.00 39.78 37.37 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 -0.20 -0.15 -3.83 1.63 0.87 -2.33 116.57 112.55 1wg7 h LYS 121 Ca 0.00 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 1wg7 h LYS 121 Cb 0.10 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1wg7 h LYS 121 CO 0.00 0.13 -0.36 0.82 -3.45 0.00 0.00 179.45 176.59 1wg7 h ILE 122 N -0.98 1.29 0.74 2.00 5.03 -0.22 -0.21 117.51 125.16 1wg7 h ILE 122 Ca -0.02 -1.42 -0.03 0.00 -0.12 0.00 0.00 64.86 63.27 1wg7 h ILE 122 Cb 0.43 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 35.78 1wg7 h ILE 122 CO 0.04 0.43 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.39 1wg7 h LEU 123 N 0.27 -1.22 -0.54 1.44 4.07 -1.16 1.49 115.31 119.65 1wg7 h LEU 123 Ca 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1wg7 h LEU 123 Cb 0.76 0.36 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1wg7 h LEU 123 CO 0.06 -0.72 0.32 1.56 -1.08 0.00 0.00 178.44 178.57 1wg7 h GLN 124 N -1.15 0.74 -0.74 1.13 1.08 -1.37 -1.54 115.11 113.27 1wg7 h GLN 124 Ca -0.10 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1wg7 h GLN 124 Cb 0.93 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 1wg7 h GLN 124 CO 0.08 0.55 0.44 -0.07 -0.95 0.00 0.00 178.83 178.88 1wg7 h LEU 125 N 0.73 0.88 -1.06 1.46 4.07 -0.81 -0.42 115.31 120.15 1wg7 h LEU 125 Ca 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1wg7 h LEU 125 Cb 0.01 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 1wg7 h LEU 125 CO -0.03 0.68 0.36 0.78 -1.08 0.00 0.00 178.44 179.15 1wg7 h ASN 126 N 1.01 0.92 -0.22 -0.43 2.35 0.29 0.16 115.58 119.67 1wg7 h ASN 126 Ca 0.26 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1wg7 h ASN 126 Cb -0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1wg7 h ASN 126 CO -0.05 0.77 -0.09 0.15 -1.65 0.00 0.00 177.43 176.56 1wg7 h PHE 127 N 1.02 0.51 0.00 1.19 3.57 -0.24 -2.75 116.94 120.24 1wg7 h PHE 127 Ca 0.25 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1wg7 h PHE 127 Cb 0.08 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1wg7 h PHE 127 CO 0.01 0.72 -0.14 0.93 -2.23 0.00 0.00 178.31 177.60 1wg7 h GLU 128 N 0.16 0.00 -0.06 1.11 5.08 -0.76 -1.82 114.58 118.30 1wg7 h GLU 128 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1wg7 h GLU 128 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wg7 h GLU 128 CO 0.03 0.14 -0.45 0.00 -1.00 0.00 0.00 179.01 177.73 1wg7 h ALA 129 N 1.86 1.15 -0.05 3.43 0.00 -0.40 0.21 119.26 125.46 1wg7 h ALA 129 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1wg7 h ALA 129 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wg7 h ALA 129 CO 0.02 0.59 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 1wg7 h ALA 130 N 1.44 0.08 0.00 0.00 0.00 -1.11 -1.33 119.26 118.33 1wg7 h ALA 130 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wg7 h ALA 130 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wg7 h ALA 130 CO 0.06 0.02 0.00 0.52 0.00 0.00 0.00 179.25 179.86 1wg7 h MET 131 N -0.35 0.00 0.18 0.00 2.07 -1.37 0.18 114.93 115.64 1wg7 h MET 131 Ca -0.01 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.30 1wg7 h MET 131 Cb 0.80 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1wg7 h MET 131 CO 0.04 0.00 -1.54 1.96 1.07 0.00 0.00 176.91 178.43 1wg7 h GLN 132 N 0.00 0.38 0.00 1.72 1.08 -0.49 -3.34 115.11 114.46 1wg7 h GLN 132 Ca 0.00 -0.64 -0.23 0.00 -1.45 0.00 0.00 58.65 56.33 1wg7 h GLN 132 Cb 0.50 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 1wg7 h GLN 132 CO 0.00 1.28 -1.17 1.05 -0.95 0.00 0.00 178.83 179.04 1wg7 h GLU 133 N 0.10 0.00 -0.80 1.46 4.11 -1.01 -3.33 114.58 115.11 1wg7 h GLU 133 Ca -0.26 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.32 1wg7 h GLU 133 Cb 2.08 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 31.18 1wg7 h GLU 133 CO 0.21 0.85 -0.25 -0.22 0.07 0.00 0.00 179.01 179.66 1wg7 h LYS 134 N 0.00 -0.03 -2.05 1.06 3.64 -0.76 0.21 116.57 118.64 1wg7 h LYS 134 Ca -0.08 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.54 1wg7 h LYS 134 Cb 1.82 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 33.36 1wg7 h LYS 134 CO 0.11 -0.02 0.87 0.54 -2.27 0.00 0.00 179.45 178.69 1wg7 n ARG 135 N -5.51 3.63 -3.02 1.90 5.12 -1.25 -4.68 116.66 112.84 1wg7 n ARG 135 Ca 0.10 -3.98 0.03 0.00 -1.93 0.00 0.00 57.85 52.07 1wg7 n ARG 135 Cb 0.40 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 1wg7 n ARG 135 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1wg7 s ASN 136 N -1.42 -0.70 0.00 0.55 3.84 0.75 -5.05 114.94 112.92 1wg7 s ASN 136 Ca 0.48 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.41 1wg7 s ASN 136 Cb 0.36 1.16 0.00 0.00 -0.55 0.00 0.00 41.25 42.21 1wg7 s ASN 136 CO -0.31 -0.10 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 1wg7 n GLY 137 N 4.53 1.39 3.61 1.21 0.00 -1.26 -4.74 105.19 109.92 1wg7 n GLY 137 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.00 -0.09 -0.64 1.61 -1.08 -1.26 -5.10 116.67 106.10 1wg7 s ASP 138 Ca 0.00 -0.02 0.03 0.00 -0.52 0.00 0.00 52.55 52.04 1wg7 s ASP 138 Cb 0.00 0.11 0.16 0.00 -1.46 0.00 0.00 42.92 41.73 1wg7 s ASP 138 CO 0.00 -0.19 0.42 -0.94 0.52 0.00 0.00 175.17 174.98 1wg7 s SER 139 N -2.32 4.77 0.89 -0.34 1.04 -1.26 -4.83 113.70 111.64 1wg7 s SER 139 Ca 0.11 -3.44 -0.12 0.00 0.48 0.00 0.00 55.95 52.97 1wg7 s SER 139 Cb 0.00 -1.68 0.13 0.00 0.10 0.00 0.00 66.02 64.57 1wg7 s SER 139 CO -0.04 -0.17 1.13 -2.28 0.98 0.00 0.00 173.24 172.86 1wg7 s HIS 140 N -0.89 2.57 -0.41 5.02 2.46 -1.26 -5.05 115.29 117.72 1wg7 s HIS 140 Ca 0.21 0.90 0.04 0.00 0.47 0.00 0.00 55.06 56.68 1wg7 s HIS 140 Cb -0.14 -3.35 0.17 0.00 -0.13 0.00 0.00 32.58 29.13 1wg7 s HIS 140 CO -0.09 -2.27 0.36 -1.21 -2.47 0.00 0.00 174.74 169.06 1wg7 s GLU 141 N -5.26 0.89 -0.85 2.88 8.01 -1.26 -4.62 118.70 118.49 1wg7 s GLU 141 Ca 0.63 -1.99 -0.23 0.00 0.01 0.00 0.00 54.97 53.39 1wg7 s GLU 141 Cb -0.15 -1.32 0.07 0.00 -4.31 0.00 0.00 34.13 28.42 1wg7 s GLU 141 CO 0.53 -1.37 1.22 0.34 0.01 0.00 0.00 175.26 175.99 1wg7 s ASP 142 N 0.18 6.37 0.57 -0.19 2.15 -1.26 -5.00 116.67 119.49 1wg7 s ASP 142 Ca 0.32 -1.25 -0.18 0.00 0.43 0.00 0.00 52.55 51.87 1wg7 s ASP 142 Cb 0.02 -2.49 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1wg7 s ASP 142 CO -0.18 -1.47 1.11 -1.81 -0.17 0.00 0.00 175.17 172.66 1wg7 s ASP 143 N 4.08 5.62 0.00 -0.34 1.01 -1.26 -5.00 116.67 120.78 1wg7 s ASP 143 Ca 0.35 2.10 0.00 0.00 0.71 0.00 0.00 52.55 55.71 1wg7 s ASP 143 Cb -0.07 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1wg7 s ASP 143 CO 0.01 -1.28 0.00 1.21 0.21 0.00 0.00 175.17 175.31 1wg7 n GLU 144 N -1.58 0.00 0.00 8.23 0.00 -1.26 -5.17 120.64 120.86 1wg7 n GLU 144 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1wg7 n GLU 144 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 1wg7 n GLU 144 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1wg7 n SER 145 N 0.00 0.00 -0.92 4.31 7.64 -1.26 -5.19 113.62 118.19 1wg7 n SER 145 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg7 n SER 145 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.00 4.30 3.76 0.23 0.00 -1.26 -4.89 105.19 107.33 1wg7 n GLY 146 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1wg7 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg7 s PRO 147 N -1.47 -0.43 -0.30 1.61 0.04 -1.26 -5.09 135.00 128.09 1wg7 s PRO 147 Ca 0.00 -0.30 -0.10 0.00 0.04 0.00 0.00 61.00 60.64 1wg7 s PRO 147 Cb 0.00 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.97 1wg7 s PRO 147 CO 0.00 -3.15 0.71 -1.12 0.04 0.00 0.00 177.00 173.48 1wg7 s SER 148 N -4.44 -1.07 -0.00 6.66 0.01 -1.26 -5.12 113.70 108.48 1wg7 s SER 148 Ca 0.73 1.35 -0.32 0.00 1.31 0.00 0.00 55.95 59.02 1wg7 s SER 148 Cb -0.06 2.17 -0.11 0.00 0.21 0.00 0.00 66.02 68.24 1wg7 s SER 148 CO 0.55 -0.20 1.90 -0.24 0.41 0.00 0.00 173.24 175.65 1wg7 n SER 149 N 5.37 3.79 0.00 2.44 2.88 -1.26 -5.21 113.62 121.63 1wg7 n SER 149 Ca -0.10 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wg7 n SER 149 Cb 0.50 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42