#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 0.00 -3.56 1.61 2.88 -1.26 -5.18 113.62 108.11 1wg7 n SER 2 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1wg7 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg7 s SER 3 N 0.00 -0.54 0.00 -3.46 0.15 -1.26 -5.14 113.70 103.45 1wg7 s SER 3 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1wg7 s SER 3 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wg7 s SER 3 CO 0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1wg7 n GLY 4 N 1.03 -2.14 3.15 9.45 0.00 -1.26 -5.10 105.19 110.33 1wg7 n GLY 4 Ca -0.15 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.82 1wg7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 5 N -0.95 -0.71 -0.29 1.61 1.04 -1.26 -4.96 113.70 108.17 1wg7 s SER 5 Ca 0.00 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1wg7 s SER 5 Cb 0.00 1.51 0.19 0.00 0.10 0.00 0.00 66.02 67.82 1wg7 s SER 5 CO 0.00 -0.13 0.56 -0.55 0.98 0.00 0.00 173.24 174.10 1wg7 s SER 6 N 2.93 -1.24 0.00 7.02 0.15 -1.26 -4.60 113.70 116.70 1wg7 s SER 6 Ca 0.13 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wg7 s SER 6 Cb -0.08 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.18 1wg7 s SER 6 CO -0.19 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1wg7 n GLY 7 N 5.41 -0.35 0.00 9.45 0.00 -1.26 -4.29 105.19 114.15 1wg7 n GLY 7 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 n ALA 8 N -0.15 0.00 -2.04 4.61 0.00 -0.91 -3.73 120.51 118.30 1wg7 n ALA 8 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1wg7 n ALA 8 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.86 3.76 0.00 0.00 0.00 -0.96 0.12 121.76 121.81 1wg7 s ALA 9 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1wg7 s ALA 9 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wg7 s ALA 9 CO 0.00 -0.75 0.00 0.45 0.00 0.00 0.00 175.76 175.46 1wg7 n SER 10 N -2.38 0.00 -1.89 0.00 2.88 -1.15 -4.11 113.62 106.98 1wg7 n SER 10 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1wg7 n SER 10 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wg7 n LEU 11 N 0.00 -5.86 -4.05 2.46 0.00 -1.26 -3.47 117.00 104.81 1wg7 n LEU 11 Ca 0.00 3.03 -0.14 0.00 0.00 0.00 0.00 56.01 58.90 1wg7 n LEU 11 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 43.42 40.43 1wg7 n LEU 11 CO 0.00 -1.37 0.18 -0.83 0.00 0.00 0.00 177.39 175.37 1wg7 s GLY 12 N -0.83 1.31 0.16 -3.96 0.00 -1.26 -4.77 107.32 97.97 1wg7 s GLY 12 Ca 0.00 -1.40 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 1wg7 s GLY 12 CO 0.00 -0.91 0.91 -0.45 0.00 0.00 0.00 173.10 172.65 1wg7 s SER 13 N -3.21 -0.22 -0.10 1.64 0.15 -1.26 -4.86 113.70 105.84 1wg7 s SER 13 Ca 0.28 -0.38 -0.33 0.00 0.70 0.00 0.00 55.95 56.22 1wg7 s SER 13 Cb -0.01 0.52 0.14 0.00 -1.71 0.00 0.00 66.02 64.96 1wg7 s SER 13 CO 0.19 -0.94 1.37 0.00 1.20 0.00 0.00 173.24 175.05 1wg7 s GLN 14 N -3.37 0.16 0.18 5.44 -2.07 -1.26 -5.11 119.66 113.62 1wg7 s GLN 14 Ca 0.11 -0.09 0.07 0.00 -1.82 0.00 0.00 55.36 53.64 1wg7 s GLN 14 Cb -0.02 0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 1wg7 s GLN 14 CO 0.01 -0.07 0.01 0.15 -1.32 0.00 0.00 175.29 174.07 1wg7 s LYS 15 N -2.18 2.45 0.11 9.60 1.02 -1.26 -4.96 119.74 124.52 1wg7 s LYS 15 Ca 0.14 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1wg7 s LYS 15 Cb 0.05 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1wg7 s LYS 15 CO -0.05 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1wg7 n GLY 16 N -0.19 -4.72 0.57 -3.33 0.00 -1.26 -5.10 105.19 91.16 1wg7 n GLY 16 Ca -0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 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 1.16 3.88 3.78 -0.02 0.00 -1.26 -5.18 105.19 107.56 1wg7 n GLY 17 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.08 2.16 0.00 -0.61 1.01 -1.26 -5.14 121.20 115.29 1wg7 s ILE 18 Ca 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1wg7 s ILE 18 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1wg7 s ILE 18 CO 0.04 0.00 0.00 1.07 0.00 0.00 0.00 174.94 176.05 1wg7 n THR 19 N -1.37 0.00 -3.67 2.92 5.66 -1.26 -4.87 114.28 111.69 1wg7 n THR 19 Ca -0.02 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.02 1wg7 n THR 19 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.07 0.38 1.09 2.20 -1.26 -5.04 119.74 115.17 1wg7 s LYS 20 Ca 0.00 -0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1wg7 s LYS 20 Cb 0.00 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1wg7 s LYS 20 CO 0.00 -0.03 0.64 -3.38 -0.36 0.00 0.00 175.35 172.22 1wg7 s HIS 21 N -2.05 0.63 0.00 4.03 -3.43 -1.26 -2.07 115.29 111.13 1wg7 s HIS 21 Ca 0.19 -1.09 0.00 0.00 -0.80 0.00 0.00 55.06 53.36 1wg7 s HIS 21 Cb 0.06 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 1wg7 s HIS 21 CO -0.06 -1.39 0.00 0.41 -2.00 0.00 0.00 174.74 171.71 1wg7 n GLY 22 N -0.56 3.08 3.84 -1.38 0.00 -1.01 -4.98 105.19 104.18 1wg7 n GLY 22 Ca -0.04 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.06 3.37 0.25 1.61 0.52 -1.26 -0.45 118.94 120.91 1wg7 s TRP 23 Ca 0.00 1.41 0.02 0.00 0.02 0.00 0.00 56.10 57.55 1wg7 s TRP 23 Cb 0.00 -2.70 -0.01 0.00 -1.15 0.00 0.00 33.47 29.61 1wg7 s TRP 23 CO 0.00 -0.09 0.29 1.28 0.02 0.00 0.00 176.95 178.45 1wg7 n LEU 24 N -0.77 0.00 -3.73 2.99 4.77 0.21 -4.74 117.00 115.73 1wg7 n LEU 24 Ca 0.05 -2.15 -0.29 0.00 -0.03 0.00 0.00 56.01 53.59 1wg7 n LEU 24 Cb 0.54 1.57 -0.13 0.00 -2.33 0.00 0.00 43.42 43.07 1wg7 n LEU 24 CO 0.41 -0.43 -0.23 -0.31 -1.33 0.00 0.00 177.39 175.50 1wg7 s TYR 25 N -3.27 2.16 0.59 -1.77 1.51 0.85 0.40 117.35 117.82 1wg7 s TYR 25 Ca 0.24 -2.56 -0.15 0.00 -1.01 0.00 0.00 57.07 53.59 1wg7 s TYR 25 Cb 0.00 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1wg7 s TYR 25 CO 0.17 -0.76 1.05 0.21 -1.11 0.00 0.00 175.55 175.11 1wg7 s LYS 26 N 0.12 3.35 0.00 -0.62 2.20 -1.11 -2.35 119.74 121.33 1wg7 s LYS 26 Ca 0.19 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1wg7 s LYS 26 Cb -0.21 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1wg7 s LYS 26 CO -0.03 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 1wg7 n GLY 27 N -1.11 2.41 0.00 5.54 0.00 0.18 -3.79 105.19 108.43 1wg7 n GLY 27 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1wg7 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wg7 n ASN 28 N 0.00 0.00 -4.66 1.61 0.23 -1.26 -4.33 115.26 106.86 1wg7 n ASN 28 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 1wg7 n ASN 28 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1wg7 n ASN 28 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1wg7 s MET 29 N 0.00 4.17 0.37 -3.83 1.75 -1.26 -4.16 119.30 116.35 1wg7 s MET 29 Ca 0.00 2.04 0.04 0.00 -1.25 0.00 0.00 55.69 56.52 1wg7 s MET 29 Cb 0.00 -3.94 -0.06 0.00 2.84 0.00 0.00 34.83 33.67 1wg7 s MET 29 CO 0.00 -0.84 0.05 -0.80 -0.65 0.00 0.00 175.02 172.78 1wg7 s ASN 30 N 3.09 2.89 0.00 1.11 0.01 -1.26 -4.94 114.94 115.84 1wg7 s ASN 30 Ca 0.69 -1.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1wg7 s ASN 30 Cb -0.30 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1wg7 s ASN 30 CO 0.26 -0.64 0.32 -1.20 -1.51 0.00 0.00 177.10 174.33 1wg7 n SER 31 N -0.88 0.00 -4.00 -1.22 7.64 -1.26 -4.34 113.62 109.57 1wg7 n SER 31 Ca -0.05 0.32 -0.28 0.00 1.01 0.00 0.00 58.87 59.87 1wg7 n SER 31 Cb 0.66 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.99 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 -1.69 -3.14 -0.08 -0.43 0.00 -1.26 -4.84 120.51 109.07 1wg7 n ALA 32 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 53.44 52.02 1wg7 n ALA 32 Cb 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 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 -4.15 1.61 0.25 0.00 0.13 -1.26 -3.11 119.36 112.82 1wg7 n ILE 33 Ca 0.01 -0.38 0.15 0.00 -1.10 0.00 0.00 62.75 61.44 1wg7 n ILE 33 Cb 0.55 -1.82 0.81 0.00 -0.84 0.00 0.00 39.64 38.34 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 -0.51 0.00 0.27 9.51 0.02 -1.94 0.34 113.55 121.24 1wg7 h SER 34 Ca -0.48 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.18 1wg7 h SER 34 Cb 1.69 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.17 1wg7 h SER 34 CO -0.14 0.00 -1.99 0.55 -1.14 0.00 0.00 176.83 174.11 1wg7 n VAL 35 N -2.60 1.37 0.10 2.27 3.14 -1.26 -2.98 118.33 118.38 1wg7 n VAL 35 Ca -0.02 -0.80 0.02 0.00 -2.96 0.00 0.00 64.34 60.58 1wg7 n VAL 35 Cb 0.13 -0.69 0.37 0.00 -1.06 0.00 0.00 33.84 32.59 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 1.19 0.00 1.55 1.03 -0.29 -3.21 112.91 113.17 1wg7 h THR 36 Ca -0.37 -0.82 -0.10 0.00 -0.01 0.00 0.00 66.41 65.10 1wg7 h THR 36 Cb 2.01 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 70.28 1wg7 h THR 36 CO 0.05 0.26 -0.63 0.24 -0.01 0.00 0.00 175.52 175.43 1wg7 h MET 37 N 0.26 0.00 -6.45 0.00 2.86 -1.54 -3.36 114.93 106.71 1wg7 h MET 37 Ca 0.05 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.20 1wg7 h MET 37 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1wg7 h MET 37 CO 0.02 0.73 -0.91 0.54 1.06 0.00 0.00 176.91 178.35 1wg7 n ARG 38 N -4.55 -2.67 -3.36 1.72 5.12 -1.16 -2.28 116.66 109.47 1wg7 n ARG 38 Ca -0.18 0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 56.00 1wg7 n ARG 38 Cb 0.48 -4.34 0.02 0.00 -1.16 0.00 0.00 32.46 27.46 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 -2.87 -6.53 -4.11 0.55 7.64 -1.26 -4.58 113.62 102.45 1wg7 n SER 39 Ca -0.25 -0.56 -0.36 0.00 1.01 0.00 0.00 58.87 58.71 1wg7 n SER 39 Cb 0.66 -4.23 -0.14 0.00 -1.01 0.00 0.00 64.21 59.48 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 -2.74 0.47 -3.29 1.43 3.01 -0.97 -4.86 117.46 110.52 1wg7 n PHE 40 Ca -0.09 0.32 -0.27 0.00 1.01 0.00 0.00 57.45 58.42 1wg7 n PHE 40 Cb 0.58 -2.03 -0.02 0.00 -0.01 0.00 0.00 39.48 37.99 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 8.07 3.58 -0.11 -1.08 1.02 -1.25 -5.01 119.74 124.97 1wg7 s LYS 41 Ca 1.24 -0.08 -0.04 0.00 0.02 0.00 0.00 55.97 57.11 1wg7 s LYS 41 Cb -1.12 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1wg7 s LYS 41 CO 0.45 0.16 0.06 0.50 -0.92 0.00 0.00 175.35 175.60 1wg7 s ARG 42 N -3.87 3.24 0.05 1.68 3.52 -1.26 -2.76 118.95 119.54 1wg7 s ARG 42 Ca 0.43 -0.29 -0.13 0.00 -0.13 0.00 0.00 55.73 55.60 1wg7 s ARG 42 Cb -0.10 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1wg7 s ARG 42 CO 0.33 0.70 0.29 1.03 -0.81 0.00 0.00 175.30 176.84 1wg7 s ARG 43 N -0.84 0.80 0.31 5.12 0.52 0.16 -4.95 118.95 120.08 1wg7 s ARG 43 Ca 0.13 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 1wg7 s ARG 43 Cb -0.12 0.35 -0.09 0.00 0.52 0.00 0.00 34.95 35.61 1wg7 s ARG 43 CO 0.03 -0.26 1.06 0.12 0.02 0.00 0.00 175.30 176.27 1wg7 s PHE 44 N -2.64 3.54 -0.15 -0.53 5.36 -0.81 0.65 117.98 123.39 1wg7 s PHE 44 Ca -0.04 1.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1wg7 s PHE 44 Cb -0.01 -3.19 0.03 0.00 -0.34 0.00 0.00 43.02 39.52 1wg7 s PHE 44 CO -0.04 -0.43 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.14 1wg7 s PHE 45 N -1.32 1.92 -0.19 10.12 0.40 0.40 -0.54 117.98 128.76 1wg7 s PHE 45 Ca 0.48 -1.13 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1wg7 s PHE 45 Cb -0.28 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 41.85 1wg7 s PHE 45 CO 0.36 -0.63 -0.11 -1.58 0.70 0.00 0.00 175.22 173.95 1wg7 s HIS 46 N 1.57 2.37 -0.02 0.36 5.65 -0.60 -2.39 115.29 122.22 1wg7 s HIS 46 Ca 0.03 -1.51 -0.27 0.00 0.25 0.00 0.00 55.06 53.55 1wg7 s HIS 46 Cb -0.14 -1.63 -0.04 0.00 -1.18 0.00 0.00 32.58 29.59 1wg7 s HIS 46 CO -0.09 -0.73 0.85 -1.17 -0.65 0.00 0.00 174.74 172.96 1wg7 s LEU 47 N 1.41 4.36 0.04 8.88 1.98 -0.88 -1.98 118.68 132.49 1wg7 s LEU 47 Ca 0.00 1.46 0.04 0.00 -2.89 0.00 0.00 54.13 52.75 1wg7 s LEU 47 Cb -0.15 -3.35 -0.02 0.00 0.66 0.00 0.00 46.19 43.32 1wg7 s LEU 47 CO -0.09 -0.18 -0.12 -0.51 -1.89 0.00 0.00 176.35 173.56 1wg7 s ILE 48 N 0.81 0.97 0.09 6.68 2.07 -0.22 -4.47 121.20 127.13 1wg7 s ILE 48 Ca 0.45 -0.98 -0.26 0.00 -1.41 0.00 0.00 60.65 58.45 1wg7 s ILE 48 Cb -0.20 -0.90 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 1wg7 s ILE 48 CO 0.24 -0.07 0.81 -1.58 -1.91 0.00 0.00 174.94 172.43 1wg7 s GLN 49 N -1.19 4.56 0.06 3.50 0.74 -1.26 0.02 119.66 126.09 1wg7 s GLN 49 Ca -0.01 1.18 -0.01 0.00 0.05 0.00 0.00 55.36 56.57 1wg7 s GLN 49 Cb -0.08 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.70 1wg7 s GLN 49 CO 0.01 0.33 0.03 1.28 -0.55 0.00 0.00 175.29 176.39 1wg7 n LEU 50 N 2.53 0.00 -0.22 3.68 7.99 0.73 -4.67 117.00 127.04 1wg7 n LEU 50 Ca -0.02 -0.03 0.02 0.00 -0.01 0.00 0.00 56.01 55.97 1wg7 n LEU 50 Cb 0.50 -0.04 0.07 0.00 -0.11 0.00 0.00 43.42 43.83 1wg7 n LEU 50 CO 0.48 -1.42 0.39 0.61 -1.51 0.00 0.00 177.39 175.94 1wg7 n GLY 51 N -0.17 -1.09 0.00 -0.72 0.00 -1.26 -4.18 105.19 97.78 1wg7 n GLY 51 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -4.96 0.00 0.00 1.61 -0.08 -1.26 -5.09 116.55 106.77 1wg7 n ASP 52 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1wg7 n ASP 52 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg7 n GLY 53 N 0.00 -1.59 3.17 0.27 0.00 -1.26 -4.59 105.19 101.20 1wg7 n GLY 53 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 1wg7 n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 54 N 0.00 -3.79 -4.20 1.61 7.64 -1.26 -4.69 113.62 108.93 1wg7 n SER 54 Ca 0.00 -0.92 -0.13 0.00 1.01 0.00 0.00 58.87 58.84 1wg7 n SER 54 Cb 0.00 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1wg7 n SER 54 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1wg7 s TYR 55 N -2.23 1.06 -0.12 1.43 2.02 -1.26 -0.19 117.35 118.05 1wg7 s TYR 55 Ca 0.66 -0.79 -0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1wg7 s TYR 55 Cb -0.11 -0.57 0.05 0.00 -0.40 0.00 0.00 41.96 40.93 1wg7 s TYR 55 CO 0.55 -0.03 0.27 -0.80 -1.57 0.00 0.00 175.55 173.97 1wg7 s ASN 56 N -2.92 -0.24 -0.45 2.29 -0.87 0.10 -3.84 114.94 109.02 1wg7 s ASN 56 Ca 0.12 0.58 -0.20 0.00 -1.57 0.00 0.00 52.86 51.79 1wg7 s ASN 56 Cb 0.02 0.49 0.03 0.00 -0.02 0.00 0.00 41.25 41.77 1wg7 s ASN 56 CO -0.02 -0.18 0.60 -0.22 -2.57 0.00 0.00 177.10 174.72 1wg7 s LEU 57 N 1.39 4.63 -0.20 0.60 2.96 -1.22 -1.05 118.68 125.78 1wg7 s LEU 57 Ca -0.08 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1wg7 s LEU 57 Cb -0.10 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1wg7 s LEU 57 CO -0.09 -0.76 -0.04 0.20 -1.32 0.00 0.00 176.35 174.34 1wg7 s ASN 58 N 2.06 4.43 -0.09 3.68 0.01 -0.84 -0.84 114.94 123.36 1wg7 s ASN 58 Ca 0.20 -0.32 -0.05 0.00 -0.71 0.00 0.00 52.86 51.97 1wg7 s ASN 58 Cb -0.15 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 1wg7 s ASN 58 CO 0.17 0.03 0.12 0.72 -1.51 0.00 0.00 177.10 176.63 1wg7 s PHE 59 N 1.19 3.51 0.36 2.20 -0.12 -0.95 -1.56 117.98 122.61 1wg7 s PHE 59 Ca 0.02 0.43 0.08 0.00 -0.05 0.00 0.00 56.93 57.41 1wg7 s PHE 59 Cb -0.14 -1.88 -0.04 0.00 -0.63 0.00 0.00 43.02 40.32 1wg7 s PHE 59 CO -0.01 0.67 0.16 0.71 -0.05 0.00 0.00 175.22 176.70 1wg7 s TYR 60 N -1.08 2.67 0.42 3.49 1.51 0.29 -0.80 117.35 123.86 1wg7 s TYR 60 Ca 0.18 -0.45 0.14 0.00 -1.01 0.00 0.00 57.07 55.93 1wg7 s TYR 60 Cb -0.12 -1.75 0.91 0.00 -0.11 0.00 0.00 41.96 40.89 1wg7 s TYR 60 CO 0.07 0.28 1.94 1.57 -1.11 0.00 0.00 175.55 178.30 1wg7 h LYS 61 N 1.50 0.01 -4.06 -0.62 2.10 -1.90 -2.14 116.57 111.45 1wg7 h LYS 61 Ca -0.43 -0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.02 1wg7 h LYS 61 Cb 1.25 -0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.48 1wg7 h LYS 61 CO 0.65 0.24 -0.25 -0.51 -2.00 0.00 0.00 179.45 177.58 1wg7 s ASP 62 N -6.98 0.46 0.05 7.07 1.01 -1.26 -4.51 116.67 112.51 1wg7 s ASP 62 Ca -0.04 -1.29 -0.16 0.00 0.71 0.00 0.00 52.55 51.77 1wg7 s ASP 62 Cb 0.15 0.58 -0.07 0.00 1.01 0.00 0.00 42.92 44.60 1wg7 s ASP 62 CO 0.71 -1.16 1.27 -0.33 0.21 0.00 0.00 175.17 175.86 1wg7 h GLU 63 N 2.25 -0.30 -4.90 8.23 5.08 -1.95 -3.39 114.58 119.60 1wg7 h GLU 63 Ca -0.29 0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.57 1wg7 h GLU 63 Cb 1.24 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 1wg7 h GLU 63 CO 0.40 -0.20 1.59 1.63 -1.00 0.00 0.00 179.01 181.43 1wg7 n LYS 64 N -3.93 0.00 0.00 2.33 4.01 -1.26 -4.84 118.16 114.47 1wg7 n LYS 64 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1wg7 n LYS 64 Cb 0.19 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 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 6.93 0.00 0.00 -0.18 -5.35 -1.26 -4.71 119.36 114.78 1wg7 n ILE 65 Ca 0.61 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.09 1wg7 n ILE 65 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 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 -3.13 7.28 2.88 -1.26 -4.91 113.62 114.48 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 -1.22 -2.55 -1.46 4.76 -1.26 -4.89 118.16 111.54 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 -2.00 -1.37 0.00 0.00 177.40 174.03 1wg7 s GLU 68 N -2.32 4.50 0.68 1.97 2.12 -1.26 -5.02 118.70 119.36 1wg7 s GLU 68 Ca 0.00 1.63 -0.12 0.00 0.36 0.00 0.00 54.97 56.84 1wg7 s GLU 68 Cb 0.00 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 1wg7 s GLU 68 CO 0.00 -0.14 1.06 -1.25 -0.54 0.00 0.00 175.26 174.39 1wg7 s PRO 69 N 0.90 3.02 0.21 4.30 0.04 -1.26 -4.89 135.00 137.32 1wg7 s PRO 69 Ca 0.55 0.99 0.10 0.00 0.04 0.00 0.00 61.00 62.69 1wg7 s PRO 69 Cb -0.26 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.32 1wg7 s PRO 69 CO 0.29 -1.04 1.42 0.87 0.04 0.00 0.00 177.00 178.59 1wg7 h LYS 70 N -0.50 0.00 -1.44 4.56 1.79 -1.32 -3.48 116.57 116.17 1wg7 h LYS 70 Ca -0.44 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.36 1wg7 h LYS 70 Cb 1.21 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.74 1wg7 h LYS 70 CO 0.57 0.77 0.84 0.20 -1.08 0.00 0.00 179.45 180.75 1wg7 s GLY 71 N -4.58 -0.41 0.06 3.86 0.00 -1.24 -5.03 107.32 99.99 1wg7 s GLY 71 Ca 0.01 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.42 1wg7 s GLY 71 CO 0.78 0.31 -0.05 -1.35 0.00 0.00 0.00 173.10 172.80 1wg7 s SER 72 N -3.01 0.70 -0.37 1.64 1.04 -1.26 -2.25 113.70 110.19 1wg7 s SER 72 Ca 0.15 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 1wg7 s SER 72 Cb 0.05 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.38 1wg7 s SER 72 CO -0.04 -0.44 0.14 -0.63 0.98 0.00 0.00 173.24 173.25 1wg7 s ILE 73 N -2.99 3.28 -0.87 -1.02 1.01 -0.02 -4.93 121.20 115.66 1wg7 s ILE 73 Ca 0.02 -1.77 -0.26 0.00 0.00 0.00 0.00 60.65 58.64 1wg7 s ILE 73 Cb 0.01 -3.11 -0.22 0.00 0.01 0.00 0.00 42.46 39.15 1wg7 s ILE 73 CO -0.05 -0.48 1.94 0.49 0.00 0.00 0.00 174.94 176.84 1wg7 n PHE 74 N 4.63 1.33 0.19 3.97 3.72 -1.26 -3.42 117.46 126.62 1wg7 n PHE 74 Ca -0.06 -0.76 0.18 0.00 -0.05 0.00 0.00 57.45 56.75 1wg7 n PHE 74 Cb 0.42 -2.15 0.73 0.00 -0.94 0.00 0.00 39.48 37.54 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1wg7 h LEU 75 N 19.44 0.00 -2.39 4.37 3.38 -1.92 1.23 115.31 139.42 1wg7 h LEU 75 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1wg7 h LEU 75 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1wg7 h LEU 75 CO 1.37 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 177.63 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.04 -1.83 -2.77 116.42 114.43 1wg7 h ASP 76 Ca 0.12 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.66 1wg7 h ASP 76 Cb 1.04 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.29 1wg7 h ASP 76 CO -0.00 0.03 -1.95 -1.20 -2.04 0.00 0.00 179.24 174.08 1wg7 n SER 77 N -3.53 2.20 -4.48 4.15 7.64 0.41 -5.00 113.62 115.02 1wg7 n SER 77 Ca -0.02 -0.05 -0.52 0.00 1.01 0.00 0.00 58.87 59.29 1wg7 n SER 77 Cb 0.14 0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.33 0.68 0.00 0.00 0.00 0.20 -4.80 117.12 114.53 1wg7 n MET 79 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 57.70 58.12 1wg7 n MET 79 Cb 0.20 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.80 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 1.96 0.25 3.60 3.03 0.00 -1.12 -4.86 105.19 108.05 1wg7 n GLY 80 Ca -0.40 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 4.24 0.43 1.61 1.01 -1.26 -0.76 120.40 123.67 1wg7 s VAL 81 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1wg7 s VAL 81 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1wg7 s VAL 81 CO 0.00 0.53 0.44 0.68 0.00 0.00 0.00 175.10 176.75 1wg7 s VAL 82 N -0.12 2.67 -0.05 2.92 -7.23 0.14 -4.96 120.40 113.77 1wg7 s VAL 82 Ca 0.04 -1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1wg7 s VAL 82 Cb -0.13 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1wg7 s VAL 82 CO 0.02 0.00 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.70 1wg7 s GLN 83 N -4.21 2.86 -0.19 4.82 -0.21 -1.26 -2.32 119.66 119.14 1wg7 s GLN 83 Ca 0.50 -0.51 -0.04 0.00 0.02 0.00 0.00 55.36 55.32 1wg7 s GLN 83 Cb -0.05 -2.70 0.08 0.00 1.00 0.00 0.00 33.01 31.34 1wg7 s GLN 83 CO 0.29 0.67 0.19 1.21 -2.12 0.00 0.00 175.29 175.53 1wg7 s ASN 84 N -1.11 1.55 -0.36 5.90 2.47 0.24 -4.82 114.94 118.82 1wg7 s ASN 84 Ca 0.15 -0.28 0.07 0.00 0.42 0.00 0.00 52.86 53.22 1wg7 s ASN 84 Cb -0.11 0.24 0.50 0.00 -1.45 0.00 0.00 41.25 40.44 1wg7 s ASN 84 CO 0.05 -0.33 1.53 -3.20 -3.72 0.00 0.00 177.10 171.43 1wg7 n ASN 85 N 5.31 3.69 -0.01 -4.21 2.85 -1.26 -2.03 115.26 119.60 1wg7 n ASN 85 Ca -0.06 -3.78 -0.01 0.00 -0.11 0.00 0.00 54.58 50.62 1wg7 n ASN 85 Cb 0.49 -0.65 -0.00 0.00 1.24 0.00 0.00 39.78 40.86 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wg7 n LYS 86 N -1.03 0.09 0.33 1.20 4.76 -1.26 -4.71 118.16 117.54 1wg7 n LYS 86 Ca 0.41 0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.74 1wg7 n LYS 86 Cb 1.02 -0.67 -0.09 0.00 -1.84 0.00 0.00 35.03 33.45 1wg7 n LYS 86 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wg7 h VAL 87 N -0.17 0.38 -2.82 -0.18 -1.51 -1.96 -3.45 116.25 106.56 1wg7 h VAL 87 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 66.70 65.01 1wg7 h VAL 87 Cb 0.16 0.38 -0.14 0.00 -2.13 0.00 0.00 31.29 29.56 1wg7 h VAL 87 CO 0.00 0.00 -0.71 -0.60 -1.23 0.00 0.00 177.57 175.03 1wg7 s ARG 88 N -6.06 1.41 0.36 5.19 3.00 -1.26 -5.02 118.95 116.56 1wg7 s ARG 88 Ca -0.17 -1.66 0.27 0.00 -1.00 0.00 0.00 55.73 53.17 1wg7 s ARG 88 Cb 0.04 -1.11 1.13 0.00 0.00 0.00 0.00 34.95 35.01 1wg7 s ARG 88 CO 0.62 0.12 1.81 0.07 0.00 0.00 0.00 175.30 177.92 1wg7 h ARG 89 N 2.46 0.00 -1.64 5.12 0.11 -1.85 -3.27 114.38 115.31 1wg7 h ARG 89 Ca -0.39 0.00 -0.44 0.00 0.10 0.00 0.00 59.98 59.25 1wg7 h ARG 89 Cb 1.23 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.95 1wg7 h ARG 89 CO 0.64 0.00 -1.06 1.19 0.10 0.00 0.00 179.97 180.84 1wg7 n PHE 90 N -2.52 -0.41 -4.73 4.08 3.72 -1.26 -4.83 117.46 111.52 1wg7 n PHE 90 Ca 0.01 -3.50 -0.33 0.00 -0.05 0.00 0.00 57.45 53.59 1wg7 n PHE 90 Cb 0.25 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.88 2.66 0.00 4.37 0.00 -0.86 -2.11 121.76 123.95 1wg7 s ALA 91 Ca 0.37 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1wg7 s ALA 91 Cb 0.33 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1wg7 s ALA 91 CO -0.08 0.23 -0.20 -0.59 0.00 0.00 0.00 175.76 175.12 1wg7 s PHE 92 N 0.37 1.80 -0.03 0.00 -0.71 0.17 0.79 117.98 120.37 1wg7 s PHE 92 Ca -0.10 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 1wg7 s PHE 92 Cb -0.16 -1.13 -0.04 0.00 -1.21 0.00 0.00 43.02 40.48 1wg7 s PHE 92 CO 0.05 0.01 0.11 -2.00 -1.34 0.00 0.00 175.22 172.05 1wg7 s GLU 93 N -0.68 3.22 -0.36 1.99 2.12 -0.98 -1.17 118.70 122.85 1wg7 s GLU 93 Ca 0.08 -0.37 -0.13 0.00 0.36 0.00 0.00 54.97 54.90 1wg7 s GLU 93 Cb -0.08 -2.97 -0.00 0.00 0.26 0.00 0.00 34.13 31.33 1wg7 s GLU 93 CO -0.00 0.68 0.24 -0.51 -0.54 0.00 0.00 175.26 175.14 1wg7 s LEU 94 N -1.60 4.64 -0.46 2.70 2.01 0.89 0.25 118.68 127.12 1wg7 s LEU 94 Ca 0.22 -0.59 -0.25 0.00 0.01 0.00 0.00 54.13 53.52 1wg7 s LEU 94 Cb -0.12 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.98 1wg7 s LEU 94 CO 0.13 -0.29 0.92 -0.54 1.01 0.00 0.00 176.35 177.57 1wg7 s LYS 95 N 1.69 3.55 0.14 1.70 -0.14 0.06 -2.23 119.74 124.51 1wg7 s LYS 95 Ca 0.05 0.18 -0.04 0.00 -1.36 0.00 0.00 55.97 54.80 1wg7 s LYS 95 Cb -0.18 -3.92 -0.05 0.00 -1.68 0.00 0.00 37.83 32.00 1wg7 s LYS 95 CO 0.10 -1.20 0.36 -1.64 -0.76 0.00 0.00 175.35 172.21 1wg7 s MET 96 N 3.73 3.60 0.52 1.68 -1.94 -0.56 0.58 119.30 126.92 1wg7 s MET 96 Ca 0.37 -0.11 0.35 0.00 -1.71 0.00 0.00 55.69 54.59 1wg7 s MET 96 Cb -0.10 -2.86 1.83 0.00 2.01 0.00 0.00 34.83 35.70 1wg7 s MET 96 CO 0.26 0.48 2.07 -0.56 -0.01 0.00 0.00 175.02 177.26 1wg7 h GLN 97 N 2.85 0.00 -0.94 2.03 3.07 -1.76 0.03 115.11 120.39 1wg7 h GLN 97 Ca -0.46 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.05 1wg7 h GLN 97 Cb 1.16 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.59 1wg7 h GLN 97 CO 0.73 0.00 0.29 -0.25 0.09 0.00 0.00 178.83 179.69 1wg7 n ASP 98 N -2.78 3.54 0.00 0.06 8.00 -1.26 -4.89 116.55 119.22 1wg7 n ASP 98 Ca -0.02 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1wg7 n ASP 98 Cb 0.10 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wg7 n LYS 99 N -0.27 0.00 -0.99 -1.24 5.02 -0.00 -4.88 118.16 115.80 1wg7 n LYS 99 Ca 0.31 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.23 1wg7 n LYS 99 Cb 1.10 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 36.15 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wg7 n SER 100 N 1.83 -4.82 -3.51 4.39 3.41 -1.26 -4.29 113.62 109.36 1wg7 n SER 100 Ca 0.00 0.12 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 1wg7 n SER 100 Cb 0.00 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wg7 s SER 101 N -1.05 -0.59 0.04 4.04 1.04 -1.25 -1.49 113.70 114.44 1wg7 s SER 101 Ca 0.40 0.51 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1wg7 s SER 101 Cb -0.08 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1wg7 s SER 101 CO 0.76 -0.64 0.02 -0.31 0.98 0.00 0.00 173.24 174.05 1wg7 s TYR 102 N -1.73 3.08 -0.40 5.02 2.02 -0.95 -4.45 117.35 119.94 1wg7 s TYR 102 Ca -0.07 0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 56.61 1wg7 s TYR 102 Cb -0.00 -1.62 0.07 0.00 -0.40 0.00 0.00 41.96 40.01 1wg7 s TYR 102 CO 0.04 0.48 0.21 -1.17 -1.57 0.00 0.00 175.55 173.54 1wg7 s LEU 103 N -1.97 4.95 0.33 -1.29 0.20 -1.26 -0.07 118.68 119.57 1wg7 s LEU 103 Ca 0.24 -1.50 0.08 0.00 0.69 0.00 0.00 54.13 53.64 1wg7 s LEU 103 Cb -0.12 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1wg7 s LEU 103 CO 0.15 -0.49 0.12 -0.76 -0.29 0.00 0.00 176.35 175.09 1wg7 s LEU 104 N 1.37 3.25 -0.28 -0.68 1.43 -0.31 0.50 118.68 123.96 1wg7 s LEU 104 Ca 0.02 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 1wg7 s LEU 104 Cb -0.22 -1.73 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1wg7 s LEU 104 CO 0.01 -0.26 0.83 0.00 0.23 0.00 0.00 176.35 177.17 1wg7 s ALA 105 N -2.41 -1.88 0.45 4.21 0.00 -0.99 -0.65 121.76 120.49 1wg7 s ALA 105 Ca 0.37 2.03 0.07 0.00 0.00 0.00 0.00 51.96 54.43 1wg7 s ALA 105 Cb -0.03 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1wg7 s ALA 105 CO 0.22 -0.31 0.40 0.00 0.00 0.00 0.00 175.76 176.08 1wg7 s ALA 106 N 0.50 4.17 0.00 0.00 0.00 -0.90 -0.11 121.76 125.42 1wg7 s ALA 106 Ca -0.00 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 1wg7 s ALA 106 Cb -0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 23.12 21.82 1wg7 s ALA 106 CO -0.04 -0.32 1.01 -0.44 0.00 0.00 0.00 175.76 175.97 1wg7 h ASP 107 N 0.93 0.64 -3.67 0.00 5.19 -1.89 -3.43 116.42 114.19 1wg7 h ASP 107 Ca -0.40 -0.87 -0.64 0.00 -0.62 0.00 0.00 57.03 54.50 1wg7 h ASP 107 Cb 1.27 -0.20 -0.20 0.00 0.18 0.00 0.00 39.33 40.38 1wg7 h ASP 107 CO 0.57 1.46 -0.84 -0.55 -3.12 0.00 0.00 179.24 176.76 1wg7 s SER 108 N -7.12 3.18 0.29 6.45 0.15 -1.26 -4.98 113.70 110.40 1wg7 s SER 108 Ca -0.12 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1wg7 s SER 108 Cb 0.03 -0.21 0.68 0.00 -1.71 0.00 0.00 66.02 64.81 1wg7 s SER 108 CO 0.87 0.12 1.61 1.05 1.20 0.00 0.00 173.24 178.10 1wg7 h GLU 109 N 3.62 0.10 0.12 5.44 4.11 -1.94 0.60 114.58 126.63 1wg7 h GLU 109 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1wg7 h GLU 109 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1wg7 h GLU 109 CO 0.43 0.07 -0.23 -0.24 0.07 0.00 0.00 179.01 179.11 1wg7 h VAL 110 N 0.10 0.00 -0.24 -1.06 3.04 -1.97 1.66 116.25 117.78 1wg7 h VAL 110 Ca 0.54 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.30 1wg7 h VAL 110 Cb 1.09 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1wg7 h VAL 110 CO -0.76 0.00 0.56 -0.33 -1.01 0.00 0.00 177.57 176.03 1wg7 h GLU 111 N -0.38 0.00 0.01 4.17 5.08 -1.49 1.55 114.58 123.51 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 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1wg7 h GLU 111 CO -0.09 0.00 -1.64 1.98 -1.00 0.00 0.00 179.01 178.26 1wg7 h MET 112 N 0.00 0.02 0.19 2.33 4.05 0.13 -3.35 114.93 118.31 1wg7 h MET 112 Ca 0.11 -0.03 -0.35 0.00 -0.28 0.00 0.00 59.70 59.15 1wg7 h MET 112 Cb 1.24 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1wg7 h MET 112 CO -0.00 0.60 -1.71 1.05 0.23 0.00 0.00 176.91 177.08 1wg7 h GLU 113 N 0.01 0.40 -0.36 0.39 4.11 1.10 -3.12 114.58 117.10 1wg7 h GLU 113 Ca -0.26 -0.69 0.05 0.00 0.07 0.00 0.00 59.36 58.53 1wg7 h GLU 113 Cb 1.99 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 31.42 1wg7 h GLU 113 CO 0.09 1.32 -0.55 0.93 0.07 0.00 0.00 179.01 180.87 1wg7 h GLU 114 N 0.11 -0.41 0.36 1.06 5.08 0.15 0.59 114.58 121.52 1wg7 h GLU 114 Ca -0.33 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1wg7 h GLU 114 Cb 2.10 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 1wg7 h GLU 114 CO 0.19 -0.27 -0.26 -1.49 -1.00 0.00 0.00 179.01 176.18 1wg7 h TRP 115 N -0.42 -0.69 -1.33 4.33 4.06 -1.73 1.20 115.95 121.37 1wg7 h TRP 115 Ca 0.07 -0.00 0.43 0.00 2.06 0.00 0.00 58.89 61.44 1wg7 h TRP 115 Cb 0.60 0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 28.89 1wg7 h TRP 115 CO -0.71 -0.39 0.87 0.82 -3.56 0.00 0.00 178.44 175.47 1wg7 h ILE 116 N -0.62 0.14 0.18 1.49 2.04 -1.22 1.39 117.51 120.92 1wg7 h ILE 116 Ca -0.03 -0.03 -0.35 0.00 1.00 0.00 0.00 64.86 65.44 1wg7 h ILE 116 Cb 0.53 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1wg7 h ILE 116 CO 0.01 0.02 -1.76 0.74 0.00 0.00 0.00 178.15 177.16 1wg7 h THR 117 N 0.10 0.93 0.81 -0.27 2.02 0.18 -2.79 112.91 113.89 1wg7 h THR 117 Ca 0.81 -2.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 1wg7 h THR 117 Cb 2.56 2.75 0.01 0.00 -1.74 0.00 0.00 68.15 71.73 1wg7 h THR 117 CO -0.39 0.86 -0.39 0.40 0.37 0.00 0.00 175.52 176.37 1wg7 h ILE 118 N 0.11 0.00 -0.74 3.11 5.03 0.95 0.83 117.51 126.79 1wg7 h ILE 118 Ca -0.34 -0.12 0.10 0.00 -0.12 0.00 0.00 64.86 64.38 1wg7 h ILE 118 Cb 2.10 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 35.81 1wg7 h ILE 118 CO 0.18 0.00 0.37 -0.07 -0.68 0.00 0.00 178.15 177.95 1wg7 h LEU 119 N -1.20 0.48 -0.58 1.44 3.38 0.12 0.21 115.31 119.16 1wg7 h LEU 119 Ca -0.11 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1wg7 h LEU 119 Cb 0.83 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1wg7 h LEU 119 CO 0.18 0.26 0.33 0.78 0.09 0.00 0.00 178.44 180.08 1wg7 h ASN 120 N 0.61 0.72 0.21 -0.43 2.35 -1.36 0.40 115.58 118.08 1wg7 h ASN 120 Ca 0.37 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wg7 h ASN 120 Cb 0.41 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1wg7 h ASN 120 CO -0.28 0.60 -0.49 0.50 -1.65 0.00 0.00 177.43 176.10 1wg7 h LYS 121 N 0.78 -0.75 -0.68 0.81 1.63 0.27 1.51 116.57 120.14 1wg7 h LYS 121 Ca 0.21 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1wg7 h LYS 121 Cb 0.03 0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 1wg7 h LYS 121 CO -0.03 -0.50 0.45 0.82 -3.45 0.00 0.00 179.45 176.74 1wg7 h ILE 122 N -0.77 1.13 0.60 2.00 5.03 -1.07 0.95 117.51 125.37 1wg7 h ILE 122 Ca -0.02 -0.29 -0.03 0.00 -0.12 0.00 0.00 64.86 64.40 1wg7 h ILE 122 Cb 0.75 0.20 0.01 0.00 -3.03 0.00 0.00 36.82 34.74 1wg7 h ILE 122 CO -0.22 0.16 -0.29 -0.07 -0.68 0.00 0.00 178.15 177.05 1wg7 h LEU 123 N 0.86 -0.68 -0.18 1.44 4.07 0.12 1.28 115.31 122.22 1wg7 h LEU 123 Ca 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 1wg7 h LEU 123 Cb -0.01 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1wg7 h LEU 123 CO -0.07 -0.45 0.07 1.56 -1.08 0.00 0.00 178.44 178.48 1wg7 h GLN 124 N -0.87 0.28 -0.58 1.13 4.20 0.25 -2.79 115.11 116.73 1wg7 h GLN 124 Ca -0.08 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1wg7 h GLN 124 Cb 0.64 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1wg7 h GLN 124 CO 0.14 0.36 0.36 -0.07 -0.67 0.00 0.00 178.83 178.94 1wg7 h LEU 125 N 0.14 0.59 -1.41 1.46 4.07 0.98 -0.58 115.31 120.56 1wg7 h LEU 125 Ca 0.06 0.00 0.30 0.00 0.08 0.00 0.00 57.88 58.32 1wg7 h LEU 125 Cb 0.19 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 41.70 1wg7 h LEU 125 CO -0.00 0.41 0.71 0.78 -1.08 0.00 0.00 178.44 179.26 1wg7 h ASN 126 N 0.71 0.38 0.65 -0.43 2.35 0.19 1.60 115.58 121.03 1wg7 h ASN 126 Ca 0.23 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.93 1wg7 h ASN 126 Cb 0.01 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1wg7 h ASN 126 CO -0.09 0.03 -0.65 0.15 -1.65 0.00 0.00 177.43 175.22 1wg7 h PHE 127 N 0.31 0.00 0.00 1.19 3.04 -0.91 -2.86 116.94 117.71 1wg7 h PHE 127 Ca 0.63 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.55 1wg7 h PHE 127 Cb 1.73 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.24 1wg7 h PHE 127 CO -0.00 0.65 -0.45 0.93 -2.02 0.00 0.00 178.31 177.42 1wg7 h GLU 128 N 0.00 0.00 -0.26 1.11 5.08 0.23 -3.25 114.58 117.49 1wg7 h GLU 128 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1wg7 h GLU 128 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wg7 h GLU 128 CO 0.08 0.11 -0.43 0.00 -1.00 0.00 0.00 179.01 177.78 1wg7 h ALA 129 N 1.86 0.40 0.23 3.43 0.00 0.50 0.47 119.26 126.15 1wg7 h ALA 129 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wg7 h ALA 129 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1wg7 h ALA 129 CO 0.02 0.52 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 1wg7 h ALA 130 N 0.66 -0.39 0.00 0.00 0.00 -1.57 0.51 119.26 118.46 1wg7 h ALA 130 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wg7 h ALA 130 Cb 1.03 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1wg7 h ALA 130 CO 0.10 -0.74 -0.20 0.52 0.00 0.00 0.00 179.25 178.93 1wg7 h MET 131 N -0.41 0.00 -0.11 0.00 2.07 -1.59 0.56 114.93 115.44 1wg7 h MET 131 Ca -0.01 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.39 1wg7 h MET 131 Cb 0.37 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.11 1wg7 h MET 131 CO -0.01 0.20 -0.83 1.96 1.07 0.00 0.00 176.91 179.29 1wg7 h GLN 132 N 0.00 0.72 0.18 1.72 1.08 0.03 -3.25 115.11 115.59 1wg7 h GLN 132 Ca -0.00 -0.63 -0.30 0.00 -1.45 0.00 0.00 58.65 56.27 1wg7 h GLN 132 Cb 0.44 0.14 0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1wg7 h GLN 132 CO 0.03 1.23 -1.35 0.93 -0.95 0.00 0.00 178.83 178.72 1wg7 h GLU 133 N 0.48 0.38 -0.86 1.46 4.39 0.45 -3.27 114.58 117.61 1wg7 h GLU 133 Ca -0.07 -0.65 0.19 0.00 0.34 0.00 0.00 59.36 59.18 1wg7 h GLU 133 Cb 1.46 0.24 -0.16 0.00 -0.10 0.00 0.00 28.75 30.19 1wg7 h GLU 133 CO 0.17 1.31 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.98 1wg7 h LYS 134 N 0.10 0.02 -2.08 2.33 3.64 0.06 0.69 116.57 121.33 1wg7 h LYS 134 Ca -0.19 -0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.51 1wg7 h LYS 134 Cb 2.06 -0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 33.52 1wg7 h LYS 134 CO 0.23 0.01 0.10 0.54 -2.27 0.00 0.00 179.45 178.07 1wg7 n ARG 135 N -5.50 3.85 0.00 1.90 5.12 -1.23 -4.48 116.66 116.32 1wg7 n ARG 135 Ca 0.15 -4.53 0.00 0.00 -1.93 0.00 0.00 57.85 51.54 1wg7 n ARG 135 Cb 0.50 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 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 -0.29 0.00 0.00 0.55 5.15 0.23 -4.99 115.26 115.92 1wg7 n ASN 136 Ca 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1wg7 n ASN 136 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg7 n GLY 137 N 0.00 -0.67 3.44 8.20 0.00 -1.25 -4.51 105.19 110.40 1wg7 n GLY 137 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 -0.58 0.00 1.61 1.01 -1.17 -4.63 116.67 108.91 1wg7 s ASP 138 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.40 1wg7 s ASP 138 Cb 0.00 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.51 1wg7 s ASP 138 CO 0.00 -0.89 0.00 -0.24 0.21 0.00 0.00 175.17 174.25 1wg7 n SER 139 N -0.11 -0.29 -4.77 0.27 2.88 0.32 -2.91 113.62 109.01 1wg7 n SER 139 Ca -0.17 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.03 1wg7 n SER 139 Cb 0.63 0.78 0.04 0.00 -0.75 0.00 0.00 64.21 64.91 1wg7 n SER 139 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wg7 s HIS 140 N -2.90 2.60 -0.02 0.66 2.46 -1.26 -2.13 115.29 114.70 1wg7 s HIS 140 Ca 0.00 1.55 -0.04 0.00 0.47 0.00 0.00 55.06 57.04 1wg7 s HIS 140 Cb 0.00 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 1wg7 s HIS 140 CO 0.00 -1.71 0.10 -2.00 -2.47 0.00 0.00 174.74 168.66 1wg7 s GLU 141 N -3.82 0.24 -0.55 2.88 2.12 -1.26 -4.81 118.70 113.50 1wg7 s GLU 141 Ca 0.69 -0.07 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 1wg7 s GLU 141 Cb -0.22 0.10 0.12 0.00 0.26 0.00 0.00 34.13 34.39 1wg7 s GLU 141 CO 0.37 -0.04 0.55 -0.51 -0.54 0.00 0.00 175.26 175.08 1wg7 s ASP 142 N -0.47 6.19 0.05 -1.70 1.11 -1.26 -5.00 116.67 115.58 1wg7 s ASP 142 Ca -0.05 -1.65 -0.20 0.00 0.18 0.00 0.00 52.55 50.82 1wg7 s ASP 142 Cb -0.04 -2.23 0.04 0.00 1.07 0.00 0.00 42.92 41.77 1wg7 s ASP 142 CO 0.00 -0.91 0.46 -1.81 1.18 0.00 0.00 175.17 174.10 1wg7 s ASP 143 N 3.53 -0.36 -0.30 0.27 1.11 -1.26 -5.16 116.67 114.50 1wg7 s ASP 143 Ca 0.05 0.07 -0.09 0.00 0.18 0.00 0.00 52.55 52.76 1wg7 s ASP 143 Cb -0.28 0.46 0.15 0.00 1.07 0.00 0.00 42.92 44.32 1wg7 s ASP 143 CO 0.04 -0.70 0.69 -1.61 1.18 0.00 0.00 175.17 174.77 1wg7 s GLU 144 N -2.53 0.53 0.34 8.23 0.41 -1.26 -5.17 118.70 119.25 1wg7 s GLU 144 Ca -0.05 1.27 0.08 0.00 -0.41 0.00 0.00 54.97 55.86 1wg7 s GLU 144 Cb -0.01 0.76 -0.03 0.00 -1.78 0.00 0.00 34.13 33.07 1wg7 s GLU 144 CO -0.03 -0.26 0.23 0.45 -0.49 0.00 0.00 175.26 175.16 1wg7 s SER 145 N 2.84 5.02 -0.14 -0.19 0.15 -1.26 -5.13 113.70 114.99 1wg7 s SER 145 Ca -0.01 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1wg7 s SER 145 Cb -0.12 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.35 1wg7 s SER 145 CO -0.19 -0.33 -0.15 -0.83 1.20 0.00 0.00 173.24 172.94 1wg7 s GLY 146 N -3.93 1.13 0.29 9.45 0.00 -1.26 -5.12 107.32 107.88 1wg7 s GLY 146 Ca 0.39 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 1wg7 s GLY 146 CO 0.25 0.45 1.08 2.56 0.00 0.00 0.00 173.10 177.44 1wg7 s PRO 147 N 1.38 4.63 -0.08 2.90 0.04 -1.26 -5.02 135.00 137.59 1wg7 s PRO 147 Ca 0.03 1.74 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 1wg7 s PRO 147 Cb -0.13 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.39 1wg7 s PRO 147 CO -0.09 0.22 1.24 -1.54 0.04 0.00 0.00 177.00 176.87 1wg7 s SER 148 N -0.97 -0.10 -0.11 6.66 1.04 -1.26 -5.10 113.70 113.86 1wg7 s SER 148 Ca 0.45 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 1wg7 s SER 148 Cb -0.30 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1wg7 s SER 148 CO 0.39 -0.30 0.15 -0.24 0.98 0.00 0.00 173.24 174.21 1wg7 n SER 149 N -0.33 -3.41 0.00 7.02 2.88 -1.26 -5.28 113.62 113.24 1wg7 n SER 149 Ca -0.05 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1wg7 n SER 149 Cb 0.61 -3.70 0.00 0.00 -0.75 0.00 0.00 64.21 60.37 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42