#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 5.71 0.02 1.61 0.01 -1.26 -5.06 113.70 114.72 1wg7 s SER 2 Ca 0.00 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1wg7 s SER 2 Cb 0.00 -1.35 -0.00 0.00 0.21 0.00 0.00 66.02 64.88 1wg7 s SER 2 CO 0.00 -0.21 -0.02 -0.24 0.41 0.00 0.00 173.24 173.19 1wg7 n SER 3 N -1.37 0.37 0.00 2.44 2.88 -1.26 -5.16 113.62 111.52 1wg7 n SER 3 Ca -0.05 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg7 n SER 3 Cb 0.58 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 4 N 3.20 0.41 3.11 0.46 0.00 -1.26 -4.52 105.19 106.58 1wg7 n GLY 4 Ca -0.01 -2.27 0.05 0.00 0.00 0.00 0.00 46.02 43.80 1wg7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 5 N -4.00 -0.51 0.08 1.61 0.15 -1.26 -4.98 113.70 104.79 1wg7 s SER 5 Ca 0.00 0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.40 1wg7 s SER 5 Cb 0.00 1.23 0.09 0.00 -1.71 0.00 0.00 66.02 65.63 1wg7 s SER 5 CO 0.00 -0.09 1.12 -0.55 1.20 0.00 0.00 173.24 174.92 1wg7 s SER 6 N 2.81 -0.10 0.00 5.45 0.15 -1.26 -5.09 113.70 115.66 1wg7 s SER 6 Ca 0.25 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1wg7 s SER 6 Cb -0.02 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wg7 s SER 6 CO -0.22 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1wg7 n GLY 7 N -0.53 -2.42 1.65 9.45 0.00 -1.26 -4.72 105.19 107.36 1wg7 n GLY 7 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.00 -2.08 -3.57 4.61 0.00 -1.26 -4.66 120.51 110.55 1wg7 n ALA 8 Ca 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.88 1wg7 n ALA 8 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.30 -2.52 0.00 0.00 0.00 -1.26 -4.78 121.76 110.90 1wg7 s ALA 9 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1wg7 s ALA 9 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1wg7 s ALA 9 CO 0.00 -0.48 0.00 0.43 0.00 0.00 0.00 175.76 175.71 1wg7 n SER 10 N 3.80 0.00 -3.41 0.00 7.64 -1.26 -4.76 113.62 115.63 1wg7 n SER 10 Ca -0.16 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.65 1wg7 n SER 10 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wg7 n SER 10 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wg7 s LEU 11 N 0.00 -0.11 0.21 -3.43 2.34 -1.26 -3.54 118.68 112.88 1wg7 s LEU 11 Ca 0.00 -0.81 0.00 0.00 0.06 0.00 0.00 54.13 53.38 1wg7 s LEU 11 Cb 0.00 2.62 0.00 0.00 -0.56 0.00 0.00 46.19 48.25 1wg7 s LEU 11 CO 0.00 -1.38 0.00 0.61 -1.06 0.00 0.00 176.35 174.52 1wg7 n GLY 12 N -0.52 -3.19 1.46 -3.48 0.00 0.20 -4.88 105.19 94.78 1wg7 n GLY 12 Ca -0.06 -1.17 0.19 0.00 0.00 0.00 0.00 46.02 44.98 1wg7 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 13 N -2.01 -8.69 -0.67 1.61 7.64 -1.26 -4.82 113.62 105.42 1wg7 n SER 13 Ca -0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1wg7 n SER 13 Cb 0.18 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1wg7 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n GLN 14 N -4.29 -1.91 -0.37 1.43 1.13 -1.26 -4.65 117.38 107.46 1wg7 n GLN 14 Ca -0.02 1.43 0.00 0.00 -1.94 0.00 0.00 57.00 56.46 1wg7 n GLN 14 Cb 0.68 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1wg7 n GLN 14 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wg7 n LYS 15 N -0.99 0.41 0.00 -1.09 5.02 -1.26 -4.86 118.16 115.40 1wg7 n LYS 15 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wg7 n LYS 15 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1wg7 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wg7 n GLY 16 N 5.00 0.00 0.00 0.72 0.00 -1.26 -4.91 105.19 104.74 1wg7 n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.10 0.80 -0.02 0.00 -1.26 -4.94 105.19 100.88 1wg7 n GLY 17 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -5.15 119.36 117.75 1wg7 n ILE 18 Ca 0.00 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1wg7 n ILE 18 Cb 0.00 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 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 -0.66 0.00 -3.60 1.39 5.66 -1.26 -4.94 114.28 110.87 1wg7 n THR 19 Ca -0.01 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1wg7 n THR 19 Cb 0.13 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.91 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 0.22 0.11 1.09 2.20 -1.26 -5.05 119.74 115.05 1wg7 s LYS 20 Ca 0.00 -0.11 -0.18 0.00 -0.36 0.00 0.00 55.97 55.32 1wg7 s LYS 20 Cb 0.00 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1wg7 s LYS 20 CO 0.00 -0.10 0.44 -3.38 -0.36 0.00 0.00 175.35 171.95 1wg7 s HIS 21 N -2.25 -0.28 0.00 4.03 -3.43 -1.26 -3.16 115.29 108.95 1wg7 s HIS 21 Ca 0.13 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 1wg7 s HIS 21 Cb 0.04 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1wg7 s HIS 21 CO -0.05 -0.70 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 1wg7 n GLY 22 N -0.10 0.33 3.31 -1.38 0.00 -1.22 -4.99 105.19 101.14 1wg7 n GLY 22 Ca -0.17 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.41 3.07 0.43 1.61 0.52 -1.26 0.35 118.94 122.26 1wg7 s TRP 23 Ca 0.00 -1.04 0.06 0.00 0.02 0.00 0.00 56.10 55.14 1wg7 s TRP 23 Cb 0.00 -2.17 0.06 0.00 -1.15 0.00 0.00 33.47 30.21 1wg7 s TRP 23 CO 0.00 -0.58 0.48 1.28 0.02 0.00 0.00 176.95 178.15 1wg7 n LEU 24 N 4.81 0.00 -4.00 2.99 4.77 0.13 -4.79 117.00 120.90 1wg7 n LEU 24 Ca -0.16 -2.01 -0.31 0.00 -0.03 0.00 0.00 56.01 53.50 1wg7 n LEU 24 Cb 0.49 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1wg7 n LEU 24 CO 0.30 -0.60 -0.24 -0.31 -1.33 0.00 0.00 177.39 175.21 1wg7 s TYR 25 N -1.86 3.50 0.46 -1.77 2.02 0.12 -1.17 117.35 118.65 1wg7 s TYR 25 Ca 0.37 -3.04 -0.13 0.00 -0.37 0.00 0.00 57.07 53.90 1wg7 s TYR 25 Cb -0.03 -2.91 -0.07 0.00 -0.40 0.00 0.00 41.96 38.55 1wg7 s TYR 25 CO 0.23 -0.86 0.87 0.21 -1.57 0.00 0.00 175.55 174.43 1wg7 s LYS 26 N 0.36 3.83 0.00 -0.62 2.20 0.21 -1.50 119.74 124.22 1wg7 s LYS 26 Ca 0.14 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1wg7 s LYS 26 Cb -0.22 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1wg7 s LYS 26 CO -0.04 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1wg7 n GLY 27 N -1.50 -0.01 0.91 5.54 0.00 -0.63 0.73 105.19 110.23 1wg7 n GLY 27 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wg7 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg7 n ASN 28 N -1.81 -1.75 -4.74 1.61 5.15 -1.25 -4.46 115.26 108.01 1wg7 n ASN 28 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1wg7 n ASN 28 Cb 0.00 -0.87 0.09 0.00 -0.53 0.00 0.00 39.78 38.46 1wg7 n ASN 28 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1wg7 s MET 29 N -1.79 2.23 0.30 1.20 -1.94 -1.14 -4.33 119.30 113.83 1wg7 s MET 29 Ca 0.00 1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 55.30 1wg7 s MET 29 Cb 0.00 -1.88 0.05 0.00 2.01 0.00 0.00 34.83 35.01 1wg7 s MET 29 CO 0.00 -1.70 0.62 0.09 -0.01 0.00 0.00 175.02 174.02 1wg7 n ASN 30 N -3.05 -1.75 0.00 3.03 4.13 -1.26 -4.79 115.26 111.57 1wg7 n ASN 30 Ca 0.11 -2.20 0.00 0.00 1.68 0.00 0.00 54.58 54.17 1wg7 n ASN 30 Cb 0.52 2.91 0.00 0.00 -1.54 0.00 0.00 39.78 41.67 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wg7 n SER 31 N -1.40 0.00 -3.81 6.41 7.64 -1.26 -4.33 113.62 116.87 1wg7 n SER 31 Ca -0.07 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.60 1wg7 n SER 31 Cb 0.46 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.77 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 -3.00 -1.32 -0.07 -0.43 0.00 -1.26 -4.73 120.51 109.70 1wg7 n ALA 32 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 53.44 52.35 1wg7 n ALA 32 Cb 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 1wg7 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wg7 h ILE 33 N -2.22 0.87 -1.06 0.00 6.09 -1.99 -2.70 117.51 116.49 1wg7 h ILE 33 Ca -0.29 -1.73 0.28 0.00 -1.37 0.00 0.00 64.86 61.76 1wg7 h ILE 33 Cb 0.86 1.72 -0.10 0.00 0.47 0.00 0.00 36.82 39.77 1wg7 h ILE 33 CO 0.18 0.29 0.68 0.28 -3.07 0.00 0.00 178.15 176.52 1wg7 h SER 34 N -1.00 0.43 0.83 2.19 0.02 -1.96 1.53 113.55 115.60 1wg7 h SER 34 Ca -0.06 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1wg7 h SER 34 Cb 0.67 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1wg7 h SER 34 CO -0.03 0.06 -0.78 1.62 -1.14 0.00 0.00 176.83 176.55 1wg7 h VAL 35 N 0.36 1.53 0.22 2.27 3.04 -1.92 -1.28 116.25 120.47 1wg7 h VAL 35 Ca 0.62 -2.71 -0.01 0.00 -1.01 0.00 0.00 66.70 63.59 1wg7 h VAL 35 Cb 1.61 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1wg7 h VAL 35 CO -0.31 0.77 -0.11 0.00 -1.01 0.00 0.00 177.57 176.91 1wg7 h THR 36 N 0.00 0.84 0.10 3.17 1.03 0.25 -3.27 112.91 115.03 1wg7 h THR 36 Ca -0.01 -0.34 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 1wg7 h THR 36 Cb 1.41 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 1wg7 h THR 36 CO 0.10 0.08 -0.05 0.24 -0.01 0.00 0.00 175.52 175.88 1wg7 h MET 37 N -0.47 -0.14 -5.96 0.00 2.86 -1.14 -3.16 114.93 106.93 1wg7 h MET 37 Ca -0.03 0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.33 1wg7 h MET 37 Cb 0.35 0.03 0.06 0.00 0.06 0.00 0.00 31.60 32.11 1wg7 h MET 37 CO 0.05 0.27 -0.69 0.54 1.06 0.00 0.00 176.91 178.15 1wg7 n ARG 38 N -4.95 -1.45 -3.38 1.72 5.12 -0.48 -3.09 116.66 110.14 1wg7 n ARG 38 Ca -0.09 0.87 -0.21 0.00 -1.93 0.00 0.00 57.85 56.49 1wg7 n ARG 38 Cb 0.24 -4.53 0.01 0.00 -1.16 0.00 0.00 32.46 27.02 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wg7 n SER 39 N -2.49 -3.68 -3.80 0.55 7.64 -1.26 -4.36 113.62 106.23 1wg7 n SER 39 Ca -0.10 -0.64 -0.42 0.00 1.01 0.00 0.00 58.87 58.72 1wg7 n SER 39 Cb 0.59 -1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 62.47 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 -1.77 0.70 -3.47 1.43 3.72 -1.18 -4.86 117.46 112.03 1wg7 n PHE 40 Ca -0.22 0.47 -0.35 0.00 -0.05 0.00 0.00 57.45 57.30 1wg7 n PHE 40 Cb 0.52 -2.02 -0.06 0.00 -0.94 0.00 0.00 39.48 36.99 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 6.71 3.86 -0.11 -1.08 -0.14 0.22 -4.82 119.74 124.39 1wg7 s LYS 41 Ca 1.12 0.32 -0.16 0.00 -1.36 0.00 0.00 55.97 55.88 1wg7 s LYS 41 Cb -1.17 -2.93 -0.05 0.00 -1.68 0.00 0.00 37.83 32.00 1wg7 s LYS 41 CO 0.48 0.50 0.40 0.50 -0.76 0.00 0.00 175.35 176.48 1wg7 s ARG 42 N -2.03 4.22 0.03 1.68 3.52 -1.26 0.63 118.95 125.75 1wg7 s ARG 42 Ca 0.37 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.24 1wg7 s ARG 42 Cb -0.14 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1wg7 s ARG 42 CO 0.19 0.30 0.10 1.03 -0.81 0.00 0.00 175.30 176.10 1wg7 s ARG 43 N 0.22 0.57 -0.70 5.12 3.00 -0.32 -4.95 118.95 121.89 1wg7 s ARG 43 Ca 0.22 -0.71 -0.26 0.00 0.00 0.00 0.00 55.73 54.99 1wg7 s ARG 43 Cb -0.15 0.22 0.04 0.00 0.00 0.00 0.00 34.95 35.07 1wg7 s ARG 43 CO 0.09 -0.14 1.16 0.12 0.00 0.00 0.00 175.30 176.53 1wg7 s PHE 44 N -2.44 2.45 -0.54 -0.53 5.36 -0.85 0.17 117.98 121.60 1wg7 s PHE 44 Ca -0.06 -0.17 -0.28 0.00 -0.96 0.00 0.00 56.93 55.45 1wg7 s PHE 44 Cb -0.02 -4.49 0.01 0.00 -0.34 0.00 0.00 43.02 38.17 1wg7 s PHE 44 CO -0.04 -1.88 1.51 -0.06 -1.46 0.00 0.00 175.22 173.29 1wg7 s PHE 45 N 5.08 2.15 -0.22 10.12 0.40 0.15 -1.92 117.98 133.75 1wg7 s PHE 45 Ca 0.31 0.53 -0.05 0.00 -0.60 0.00 0.00 56.93 57.12 1wg7 s PHE 45 Cb -0.11 -4.33 -0.02 0.00 0.51 0.00 0.00 43.02 39.08 1wg7 s PHE 45 CO 0.14 -2.12 0.00 -1.58 0.70 0.00 0.00 175.22 172.37 1wg7 s HIS 46 N 6.53 3.02 -0.05 0.36 5.65 -0.58 -3.43 115.29 126.78 1wg7 s HIS 46 Ca 0.57 -0.64 -0.15 0.00 0.25 0.00 0.00 55.06 55.09 1wg7 s HIS 46 Cb -0.12 -2.14 -0.05 0.00 -1.18 0.00 0.00 32.58 29.09 1wg7 s HIS 46 CO 0.25 -0.40 0.41 -1.17 -0.65 0.00 0.00 174.74 173.19 1wg7 s LEU 47 N 1.37 4.40 -0.02 8.88 2.96 -1.19 0.11 118.68 135.20 1wg7 s LEU 47 Ca 0.05 0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1wg7 s LEU 47 Cb -0.15 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1wg7 s LEU 47 CO 0.00 0.22 0.12 -0.51 -1.32 0.00 0.00 176.35 174.87 1wg7 s ILE 48 N -0.48 0.06 0.08 6.68 2.07 -0.57 -4.67 121.20 124.37 1wg7 s ILE 48 Ca 0.23 -0.46 -0.28 0.00 -1.41 0.00 0.00 60.65 58.73 1wg7 s ILE 48 Cb -0.16 -0.33 -0.06 0.00 0.13 0.00 0.00 42.46 42.05 1wg7 s ILE 48 CO 0.11 -0.25 0.89 -1.58 -1.91 0.00 0.00 174.94 172.21 1wg7 s GLN 49 N -0.85 4.62 0.18 3.50 0.74 -1.26 -0.63 119.66 125.96 1wg7 s GLN 49 Ca -0.09 1.32 -0.03 0.00 0.05 0.00 0.00 55.36 56.61 1wg7 s GLN 49 Cb -0.05 -3.38 0.04 0.00 1.10 0.00 0.00 33.01 30.72 1wg7 s GLN 49 CO 0.01 0.22 0.09 1.28 -0.55 0.00 0.00 175.29 176.34 1wg7 n LEU 50 N 2.86 0.00 -0.18 3.68 7.99 0.24 -4.60 117.00 126.99 1wg7 n LEU 50 Ca 0.01 -0.10 0.14 0.00 -0.01 0.00 0.00 56.01 56.06 1wg7 n LEU 50 Cb 0.50 -0.13 0.27 0.00 -0.11 0.00 0.00 43.42 43.95 1wg7 n LEU 50 CO 0.50 -1.56 0.53 0.61 -1.51 0.00 0.00 177.39 175.96 1wg7 n GLY 51 N -0.53 -0.54 0.00 -0.72 0.00 -1.26 -4.08 105.19 98.06 1wg7 n GLY 51 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.41 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 115.49 1wg7 n ASP 52 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1wg7 n ASP 52 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 0.00 -1.49 3.46 0.44 0.00 -1.26 0.61 105.19 106.95 1wg7 n GLY 53 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.00 0.57 0.26 1.61 0.01 -1.23 -4.66 113.70 106.26 1wg7 s SER 54 Ca 0.00 1.30 0.09 0.00 1.31 0.00 0.00 55.95 58.66 1wg7 s SER 54 Cb 0.00 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 1wg7 s SER 54 CO 0.00 -4.43 -0.14 -0.31 0.41 0.00 0.00 173.24 168.77 1wg7 s TYR 55 N -2.47 2.05 -0.20 2.43 1.51 -1.26 0.82 117.35 120.22 1wg7 s TYR 55 Ca 0.68 -0.50 -0.08 0.00 -1.01 0.00 0.00 57.07 56.17 1wg7 s TYR 55 Cb -0.22 -0.99 0.08 0.00 -0.11 0.00 0.00 41.96 40.72 1wg7 s TYR 55 CO 0.63 0.51 0.44 -0.80 -1.11 0.00 0.00 175.55 175.21 1wg7 s ASN 56 N -3.44 -0.41 -0.59 2.29 -0.87 0.20 -3.91 114.94 108.21 1wg7 s ASN 56 Ca 0.28 1.01 -0.21 0.00 -1.57 0.00 0.00 52.86 52.37 1wg7 s ASN 56 Cb -0.01 1.20 0.07 0.00 -0.02 0.00 0.00 41.25 42.49 1wg7 s ASN 56 CO 0.12 -0.22 0.79 -0.22 -2.57 0.00 0.00 177.10 175.00 1wg7 s LEU 57 N 2.19 4.82 -0.27 0.60 1.98 -1.21 -1.51 118.68 125.27 1wg7 s LEU 57 Ca -0.05 -1.03 -0.10 0.00 -2.89 0.00 0.00 54.13 50.06 1wg7 s LEU 57 Cb -0.10 -2.44 -0.04 0.00 0.66 0.00 0.00 46.19 44.27 1wg7 s LEU 57 CO -0.13 -1.17 0.15 0.20 -1.89 0.00 0.00 176.35 173.50 1wg7 s ASN 58 N 3.31 5.70 -0.15 3.68 0.01 0.12 -1.69 114.94 125.93 1wg7 s ASN 58 Ca 0.18 -0.12 -0.08 0.00 -0.71 0.00 0.00 52.86 52.13 1wg7 s ASN 58 Cb -0.19 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1wg7 s ASN 58 CO 0.10 -0.06 0.12 0.72 -1.51 0.00 0.00 177.10 176.48 1wg7 s PHE 59 N 1.70 3.49 0.50 2.20 -0.12 -1.12 -1.53 117.98 123.10 1wg7 s PHE 59 Ca 0.07 0.42 0.05 0.00 -0.05 0.00 0.00 56.93 57.41 1wg7 s PHE 59 Cb -0.16 -2.01 -0.00 0.00 -0.63 0.00 0.00 43.02 40.22 1wg7 s PHE 59 CO 0.08 0.54 0.24 0.71 -0.05 0.00 0.00 175.22 176.74 1wg7 s TYR 60 N -0.49 1.99 0.16 3.49 1.51 -0.81 -1.66 117.35 121.54 1wg7 s TYR 60 Ca 0.12 -0.79 0.12 0.00 -1.01 0.00 0.00 57.07 55.50 1wg7 s TYR 60 Cb -0.12 -1.86 0.22 0.00 -0.11 0.00 0.00 41.96 40.10 1wg7 s TYR 60 CO 0.02 -0.10 1.52 1.57 -1.11 0.00 0.00 175.55 177.45 1wg7 h LYS 61 N 1.10 0.00 0.00 -0.62 2.10 -1.91 -2.24 116.57 115.00 1wg7 h LYS 61 Ca -0.40 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.07 1wg7 h LYS 61 Cb 1.29 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.57 1wg7 h LYS 61 CO 0.65 0.67 -0.16 -0.25 -2.00 0.00 0.00 179.45 178.36 1wg7 n ASP 62 N -3.55 -0.32 -0.02 7.07 8.00 -1.26 -4.69 116.55 121.78 1wg7 n ASP 62 Ca -0.00 -1.85 -0.17 0.00 0.71 0.00 0.00 54.79 53.48 1wg7 n ASP 62 Cb 0.70 0.72 -0.09 0.00 -0.02 0.00 0.00 41.12 42.44 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wg7 h GLU 63 N 0.00 0.57 -5.30 -1.24 5.08 -1.95 -3.40 114.58 108.34 1wg7 h GLU 63 Ca -0.10 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 1wg7 h GLU 63 Cb 0.47 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wg7 h GLU 63 CO 0.14 1.12 0.11 0.15 -1.00 0.00 0.00 179.01 179.52 1wg7 s LYS 64 N -3.59 1.54 0.00 2.33 1.02 -1.26 -4.85 119.74 114.92 1wg7 s LYS 64 Ca -0.12 0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1wg7 s LYS 64 Cb 0.06 -4.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.49 1wg7 s LYS 64 CO 0.85 -4.74 0.00 0.44 -0.92 0.00 0.00 175.35 170.98 1wg7 n ILE 65 N 8.80 0.00 0.00 2.17 -5.35 -1.26 -4.62 119.36 119.10 1wg7 n ILE 65 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.93 1wg7 n ILE 65 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 -2.80 7.28 2.88 -1.26 -4.91 113.62 114.81 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 -0.86 -2.41 -1.46 4.76 -1.26 -4.92 118.16 112.00 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 -2.48 4.38 0.49 1.97 2.02 -1.26 -5.01 118.70 118.80 1wg7 s GLU 68 Ca 0.00 1.75 -0.20 0.00 0.02 0.00 0.00 54.97 56.54 1wg7 s GLU 68 Cb 0.00 -3.48 -0.08 0.00 0.10 0.00 0.00 34.13 30.67 1wg7 s GLU 68 CO 0.00 -0.39 1.04 -1.25 0.02 0.00 0.00 175.26 174.68 1wg7 s PRO 69 N 1.78 3.80 0.45 0.39 0.04 -1.26 -4.92 135.00 135.28 1wg7 s PRO 69 Ca 0.58 1.36 0.14 0.00 0.04 0.00 0.00 61.00 63.12 1wg7 s PRO 69 Cb -0.27 -2.09 1.02 0.00 0.04 0.00 0.00 34.50 33.19 1wg7 s PRO 69 CO 0.25 -0.43 2.01 0.87 0.04 0.00 0.00 177.00 179.75 1wg7 h LYS 70 N 1.55 0.05 -1.88 4.56 1.79 -1.66 -3.46 116.57 117.51 1wg7 h LYS 70 Ca -0.49 -0.01 0.30 0.00 -2.18 0.00 0.00 60.65 58.27 1wg7 h LYS 70 Cb 1.22 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.77 1wg7 h LYS 70 CO 0.59 0.18 0.81 0.20 -1.08 0.00 0.00 179.45 180.14 1wg7 s GLY 71 N -4.13 -0.23 -0.01 3.86 0.00 -1.22 -5.05 107.32 100.54 1wg7 s GLY 71 Ca -0.04 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1wg7 s GLY 71 CO 0.70 2.40 0.05 -1.35 0.00 0.00 0.00 173.10 174.90 1wg7 s SER 72 N -3.33 0.04 -0.41 1.64 1.04 -1.26 -2.78 113.70 108.64 1wg7 s SER 72 Ca 0.21 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1wg7 s SER 72 Cb 0.02 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1wg7 s SER 72 CO -0.01 -0.18 0.25 -0.63 0.98 0.00 0.00 173.24 173.65 1wg7 s ILE 73 N -0.73 4.27 -0.90 -1.02 1.01 -0.68 -4.98 121.20 118.18 1wg7 s ILE 73 Ca -0.08 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.02 1wg7 s ILE 73 Cb -0.05 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.68 1wg7 s ILE 73 CO 0.00 -0.46 1.91 0.49 0.00 0.00 0.00 174.94 176.88 1wg7 n PHE 74 N 4.93 1.99 -0.19 3.97 3.72 -1.26 -3.31 117.46 127.31 1wg7 n PHE 74 Ca -0.10 -1.43 0.29 0.00 -0.05 0.00 0.00 57.45 56.16 1wg7 n PHE 74 Cb 0.43 -2.07 0.73 0.00 -0.94 0.00 0.00 39.48 37.64 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 16.48 0.00 -2.46 4.37 3.38 -1.92 1.45 115.31 136.62 1wg7 h LEU 75 Ca 0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1wg7 h LEU 75 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wg7 h LEU 75 CO 1.59 0.00 0.12 -0.78 0.09 0.00 0.00 178.44 179.46 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 1.82 -1.83 -2.19 116.42 113.79 1wg7 h ASP 76 Ca 0.44 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.85 1wg7 h ASP 76 Cb 1.77 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.74 1wg7 h ASP 76 CO -0.00 0.00 -1.87 -1.20 -1.61 0.00 0.00 179.24 174.56 1wg7 n SER 77 N -3.50 2.30 -4.48 2.28 7.64 0.47 -5.00 113.62 113.32 1wg7 n SER 77 Ca -0.01 -0.04 -0.53 0.00 1.01 0.00 0.00 58.87 59.30 1wg7 n SER 77 Cb 0.21 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.40 0.22 0.00 0.00 0.00 0.20 -3.46 114.93 114.28 1wg7 h MET 79 Ca -0.42 -0.37 0.00 0.00 0.00 0.00 0.00 59.70 58.92 1wg7 h MET 79 Cb 1.42 0.14 0.00 0.00 0.00 0.00 0.00 31.60 33.15 1wg7 h MET 79 CO 0.63 1.18 0.00 0.41 0.00 0.00 0.00 176.91 179.13 1wg7 n GLY 80 N 1.85 0.48 3.54 8.32 0.00 -1.08 -4.93 105.19 113.37 1wg7 n GLY 80 Ca -0.31 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 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 4.45 0.39 1.61 1.01 -1.26 -0.45 120.40 124.15 1wg7 s VAL 81 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1wg7 s VAL 81 Cb 0.00 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1wg7 s VAL 81 CO 0.00 0.42 0.50 0.68 0.00 0.00 0.00 175.10 176.70 1wg7 s VAL 82 N 0.86 3.29 -0.20 2.92 -7.23 0.21 -4.95 120.40 115.31 1wg7 s VAL 82 Ca 0.03 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 59.04 1wg7 s VAL 82 Cb -0.14 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 1wg7 s VAL 82 CO 0.02 -0.05 0.12 -1.10 -0.31 0.00 0.00 175.10 173.78 1wg7 s GLN 83 N -4.26 4.15 -0.41 4.82 -0.21 -1.26 -1.93 119.66 120.56 1wg7 s GLN 83 Ca 0.51 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.72 1wg7 s GLN 83 Cb -0.09 -3.39 0.23 0.00 1.00 0.00 0.00 33.01 30.76 1wg7 s GLN 83 CO 0.32 0.30 0.51 -1.71 -2.12 0.00 0.00 175.29 172.59 1wg7 n ASN 84 N 3.49 -0.36 -1.77 5.90 5.15 0.18 -4.81 115.26 123.04 1wg7 n ASN 84 Ca -0.16 -2.67 -0.15 0.00 -0.60 0.00 0.00 54.58 50.99 1wg7 n ASN 84 Cb 0.52 -0.33 0.10 0.00 -0.53 0.00 0.00 39.78 39.54 1wg7 n ASN 84 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1wg7 n ASN 85 N 1.82 3.87 -0.11 1.20 6.94 -1.16 -3.30 115.26 124.52 1wg7 n ASN 85 Ca 0.22 -3.00 -0.21 0.00 -0.02 0.00 0.00 54.58 51.58 1wg7 n ASN 85 Cb 0.53 -0.75 -0.07 0.00 -2.36 0.00 0.00 39.78 37.13 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1wg7 n LYS 86 N -0.42 0.56 0.00 -3.83 4.76 -1.26 -4.79 118.16 113.17 1wg7 n LYS 86 Ca 0.36 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1wg7 n LYS 86 Cb 1.13 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1wg7 n LYS 86 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1wg7 n VAL 87 N -4.37 0.00 -3.34 -0.18 0.24 -1.26 -4.90 118.33 104.52 1wg7 n VAL 87 Ca -0.36 0.69 -0.21 0.00 -2.04 0.00 0.00 64.34 62.43 1wg7 n VAL 87 Cb 0.70 -1.67 0.02 0.00 -1.47 0.00 0.00 33.84 31.42 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wg7 s ARG 88 N -0.39 2.44 -0.29 7.34 0.52 -1.26 -5.05 118.95 122.26 1wg7 s ARG 88 Ca 0.00 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.29 1wg7 s ARG 88 Cb 0.00 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.99 1wg7 s ARG 88 CO 0.00 -0.55 1.33 1.03 0.02 0.00 0.00 175.30 177.13 1wg7 s ARG 89 N -4.40 3.92 -0.62 3.54 0.52 -1.26 -3.69 118.95 116.95 1wg7 s ARG 89 Ca 0.51 1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 57.00 1wg7 s ARG 89 Cb -0.05 -3.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 1wg7 s ARG 89 CO 0.31 -1.12 0.56 1.19 0.02 0.00 0.00 175.30 176.27 1wg7 n PHE 90 N 7.65 -1.82 -5.17 -0.53 3.72 -1.26 -4.47 117.46 115.58 1wg7 n PHE 90 Ca 0.15 0.66 -0.31 0.00 -0.05 0.00 0.00 57.45 57.90 1wg7 n PHE 90 Cb 0.46 -3.46 -0.17 0.00 -0.94 0.00 0.00 39.48 35.37 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 -3.15 2.06 0.03 4.37 0.00 -1.21 -1.79 121.76 122.07 1wg7 s ALA 91 Ca 0.18 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1wg7 s ALA 91 Cb -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1wg7 s ALA 91 CO 0.50 0.32 -0.20 -0.59 0.00 0.00 0.00 175.76 175.79 1wg7 s PHE 92 N 0.18 1.76 -0.08 0.00 -0.71 0.71 0.48 117.98 120.31 1wg7 s PHE 92 Ca -0.13 -0.36 -0.06 0.00 -1.04 0.00 0.00 56.93 55.33 1wg7 s PHE 92 Cb -0.16 -1.06 -0.04 0.00 -1.21 0.00 0.00 43.02 40.55 1wg7 s PHE 92 CO 0.06 0.06 0.17 -2.00 -1.34 0.00 0.00 175.22 172.18 1wg7 s GLU 93 N -1.04 3.47 -0.39 1.99 2.12 -0.81 -0.33 118.70 123.71 1wg7 s GLU 93 Ca 0.07 -0.14 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1wg7 s GLU 93 Cb -0.08 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.16 1wg7 s GLU 93 CO 0.01 0.74 0.27 -0.51 -0.54 0.00 0.00 175.26 175.24 1wg7 s LEU 94 N -1.29 4.94 -0.54 2.70 2.01 -0.44 0.63 118.68 126.69 1wg7 s LEU 94 Ca 0.19 -0.85 -0.29 0.00 0.01 0.00 0.00 54.13 53.20 1wg7 s LEU 94 Cb -0.12 -2.13 0.03 0.00 0.01 0.00 0.00 46.19 43.98 1wg7 s LEU 94 CO 0.09 -0.40 1.18 -0.54 1.01 0.00 0.00 176.35 177.68 1wg7 s LYS 95 N 1.66 3.59 0.34 1.70 -0.14 0.40 -1.83 119.74 125.46 1wg7 s LYS 95 Ca 0.05 0.38 0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1wg7 s LYS 95 Cb -0.19 -3.98 -0.02 0.00 -1.68 0.00 0.00 37.83 31.97 1wg7 s LYS 95 CO 0.09 -1.57 0.50 -1.64 -0.76 0.00 0.00 175.35 171.97 1wg7 s MET 96 N 4.78 3.25 0.03 1.68 -1.94 -0.47 0.20 119.30 126.83 1wg7 s MET 96 Ca 0.45 -0.71 0.23 0.00 -1.71 0.00 0.00 55.69 53.95 1wg7 s MET 96 Cb -0.07 -2.75 0.05 0.00 2.01 0.00 0.00 34.83 34.06 1wg7 s MET 96 CO 0.28 0.10 1.04 0.00 -0.01 0.00 0.00 175.02 176.42 1wg7 n GLN 97 N -1.71 0.21 -0.99 2.03 10.64 -1.17 -4.24 117.38 122.15 1wg7 n GLN 97 Ca -0.03 -0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 54.98 1wg7 n GLN 97 Cb 0.57 -1.56 -0.04 0.00 -0.86 0.00 0.00 30.24 28.35 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 -1.83 5.96 -3.58 2.61 9.92 -1.26 -4.81 116.55 123.57 1wg7 n ASP 98 Ca 0.03 -2.84 -0.32 0.00 -0.53 0.00 0.00 54.79 51.13 1wg7 n ASP 98 Cb 0.41 -1.20 0.02 0.00 -0.64 0.00 0.00 41.12 39.71 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wg7 n LYS 99 N 1.21 -1.80 0.00 -1.24 4.76 -1.26 -4.93 118.16 114.90 1wg7 n LYS 99 Ca 0.32 1.21 0.00 0.00 -2.87 0.00 0.00 58.31 56.97 1wg7 n LYS 99 Cb 0.63 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wg7 n SER 100 N -1.12 0.00 -3.63 4.39 2.88 -1.26 -5.08 113.62 109.79 1wg7 n SER 100 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 1wg7 n SER 100 Cb 0.68 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.07 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg7 s SER 101 N 0.00 -0.59 0.79 -3.46 1.04 -1.26 -1.37 113.70 108.85 1wg7 s SER 101 Ca 0.00 1.13 -0.03 0.00 0.48 0.00 0.00 55.95 57.53 1wg7 s SER 101 Cb 0.00 1.15 0.16 0.00 0.10 0.00 0.00 66.02 67.43 1wg7 s SER 101 CO 0.00 -0.19 1.08 -0.31 0.98 0.00 0.00 173.24 174.80 1wg7 s TYR 102 N 0.36 1.22 -0.33 5.02 2.02 -0.76 -2.86 117.35 122.01 1wg7 s TYR 102 Ca 0.01 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1wg7 s TYR 102 Cb -0.05 -3.19 0.14 0.00 -0.40 0.00 0.00 41.96 38.46 1wg7 s TYR 102 CO -0.04 -2.04 0.27 -1.17 -1.57 0.00 0.00 175.55 171.00 1wg7 s LEU 103 N -5.32 0.24 0.44 -1.29 2.96 -1.26 -1.33 118.68 113.12 1wg7 s LEU 103 Ca 0.70 -1.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1wg7 s LEU 103 Cb -0.04 0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.81 1wg7 s LEU 103 CO 0.47 -0.34 0.65 -0.76 -1.32 0.00 0.00 176.35 175.05 1wg7 s LEU 104 N 1.73 3.66 -0.29 -0.68 1.43 0.55 -1.60 118.68 123.48 1wg7 s LEU 104 Ca 0.14 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 1wg7 s LEU 104 Cb -0.17 -3.06 0.11 0.00 0.03 0.00 0.00 46.19 43.10 1wg7 s LEU 104 CO -0.17 -0.70 0.81 0.00 0.23 0.00 0.00 176.35 176.52 1wg7 s ALA 105 N -2.51 -2.08 0.38 4.21 0.00 -0.56 -0.21 121.76 120.99 1wg7 s ALA 105 Ca 0.49 2.32 0.07 0.00 0.00 0.00 0.00 51.96 54.84 1wg7 s ALA 105 Cb -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1wg7 s ALA 105 CO 0.37 -0.43 0.53 0.00 0.00 0.00 0.00 175.76 176.23 1wg7 s ALA 106 N 1.65 4.36 0.12 0.00 0.00 -0.74 0.15 121.76 127.30 1wg7 s ALA 106 Ca -0.09 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1wg7 s ALA 106 Cb -0.05 -1.67 -0.14 0.00 0.00 0.00 0.00 23.12 21.26 1wg7 s ALA 106 CO -0.18 -0.18 1.27 0.22 0.00 0.00 0.00 175.76 176.89 1wg7 h ASP 107 N 0.74 0.56 -4.03 0.00 3.58 -1.87 -3.43 116.42 111.97 1wg7 h ASP 107 Ca -0.43 -0.47 -0.59 0.00 0.42 0.00 0.00 57.03 55.96 1wg7 h ASP 107 Cb 1.27 -0.17 -0.21 0.00 1.72 0.00 0.00 39.33 41.93 1wg7 h ASP 107 CO 0.49 1.28 -0.83 -0.44 -2.88 0.00 0.00 179.24 176.86 1wg7 s SER 108 N -7.12 2.78 0.37 2.28 0.01 -1.26 -4.99 113.70 105.76 1wg7 s SER 108 Ca -0.06 -0.72 0.18 0.00 1.31 0.00 0.00 55.95 56.66 1wg7 s SER 108 Cb 0.08 -0.16 1.12 0.00 0.21 0.00 0.00 66.02 67.27 1wg7 s SER 108 CO 0.88 0.08 1.70 1.05 0.41 0.00 0.00 173.24 177.36 1wg7 h GLU 109 N 3.94 0.34 0.93 12.44 9.09 -1.93 0.13 114.58 139.51 1wg7 h GLU 109 Ca -0.47 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 1wg7 h GLU 109 Cb 1.18 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1wg7 h GLU 109 CO 0.40 0.22 -0.45 -0.24 0.05 0.00 0.00 179.01 179.00 1wg7 h VAL 110 N 0.35 0.07 0.00 -1.06 3.04 -1.98 0.52 116.25 117.19 1wg7 h VAL 110 Ca 0.69 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.36 1wg7 h VAL 110 Cb 1.71 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1wg7 h VAL 110 CO -0.46 0.00 0.16 -0.33 -1.01 0.00 0.00 177.57 175.93 1wg7 h GLU 111 N -1.27 0.00 0.04 4.17 5.08 -1.24 0.88 114.58 122.23 1wg7 h GLU 111 Ca -0.13 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 1wg7 h GLU 111 Cb 0.96 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1wg7 h GLU 111 CO 0.21 0.00 -1.83 -0.12 -1.00 0.00 0.00 179.01 176.27 1wg7 n MET 112 N -2.44 0.68 0.06 2.33 1.56 -0.03 -3.94 117.12 115.34 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 0.20 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.67 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 0.21 0.18 2.12 4.11 0.35 -2.99 114.58 118.59 1wg7 h GLU 113 Ca -0.34 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 58.74 1wg7 h GLU 113 Cb 2.03 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.38 1wg7 h GLU 113 CO 0.08 1.07 -0.42 0.93 0.07 0.00 0.00 179.01 180.74 1wg7 h GLU 114 N 0.06 -0.63 0.25 1.06 5.08 0.41 0.27 114.58 121.07 1wg7 h GLU 114 Ca -0.21 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1wg7 h GLU 114 Cb 1.98 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.37 1wg7 h GLU 114 CO 0.16 -0.42 -0.20 -1.49 -1.00 0.00 0.00 179.01 176.06 1wg7 h TRP 115 N -0.66 -0.51 -0.97 4.33 4.06 -1.72 0.41 115.95 120.88 1wg7 h TRP 115 Ca -0.02 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.21 1wg7 h TRP 115 Cb 0.63 0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.94 1wg7 h TRP 115 CO -0.37 -0.30 0.96 0.82 -3.56 0.00 0.00 178.44 176.00 1wg7 h ILE 116 N -0.46 0.16 0.05 1.49 2.04 -1.32 0.71 117.51 120.18 1wg7 h ILE 116 Ca -0.02 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.58 1wg7 h ILE 116 Cb 0.40 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1wg7 h ILE 116 CO -0.01 0.00 -1.41 0.74 0.00 0.00 0.00 178.15 177.47 1wg7 h THR 117 N 0.00 0.91 0.34 -0.27 2.02 0.19 -3.14 112.91 112.95 1wg7 h THR 117 Ca 0.46 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 1wg7 h THR 117 Cb 2.39 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 71.23 1wg7 h THR 117 CO -0.00 0.54 -0.20 0.40 0.37 0.00 0.00 175.52 176.62 1wg7 h ILE 118 N -0.61 0.00 -0.66 3.11 5.03 0.44 1.33 117.51 126.15 1wg7 h ILE 118 Ca -0.34 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.53 1wg7 h ILE 118 Cb 1.55 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 35.22 1wg7 h ILE 118 CO -0.08 0.00 -0.19 -0.07 -0.68 0.00 0.00 178.15 177.13 1wg7 h LEU 119 N -0.51 -0.71 0.02 1.44 3.38 -0.61 0.14 115.31 118.46 1wg7 h LEU 119 Ca -0.05 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1wg7 h LEU 119 Cb 0.40 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1wg7 h LEU 119 CO 0.05 -0.24 -0.12 0.78 0.09 0.00 0.00 178.44 179.00 1wg7 h ASN 120 N -0.03 -0.35 -0.06 -0.43 2.35 -1.46 0.58 115.58 116.17 1wg7 h ASN 120 Ca 0.31 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1wg7 h ASN 120 Cb 0.50 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1wg7 h ASN 120 CO -0.69 -0.18 -0.04 0.50 -1.65 0.00 0.00 177.43 175.37 1wg7 h LYS 121 N -0.22 -0.01 -0.96 0.81 1.63 0.45 1.78 116.57 120.06 1wg7 h LYS 121 Ca 0.04 0.00 0.20 0.00 -0.85 0.00 0.00 60.65 60.04 1wg7 h LYS 121 Cb 0.26 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.78 1wg7 h LYS 121 CO -0.11 -0.00 0.54 0.82 -3.45 0.00 0.00 179.45 177.25 1wg7 h ILE 122 N -0.01 0.63 -0.21 2.00 5.03 -1.16 1.97 117.51 125.75 1wg7 h ILE 122 Ca 0.01 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.52 1wg7 h ILE 122 Cb 0.03 -0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 33.75 1wg7 h ILE 122 CO -0.06 0.11 0.09 -0.07 -0.68 0.00 0.00 178.15 177.54 1wg7 h LEU 123 N 0.63 0.26 0.08 1.44 4.07 0.24 1.37 115.31 123.40 1wg7 h LEU 123 Ca 0.57 -0.02 -0.31 0.00 0.08 0.00 0.00 57.88 58.21 1wg7 h LEU 123 Cb 0.97 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1wg7 h LEU 123 CO -0.43 0.24 -1.65 1.56 -1.08 0.00 0.00 178.44 177.08 1wg7 h GLN 124 N 0.30 0.17 -0.03 1.13 1.08 1.13 -3.30 115.11 115.58 1wg7 h GLN 124 Ca 0.08 -0.29 -0.15 0.00 -1.45 0.00 0.00 58.65 56.84 1wg7 h GLN 124 Cb 0.06 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1wg7 h GLN 124 CO -0.01 0.96 -0.65 -0.07 -0.95 0.00 0.00 178.83 178.10 1wg7 h LEU 125 N 0.05 0.15 -1.66 1.46 3.38 0.32 -2.77 115.31 116.24 1wg7 h LEU 125 Ca -0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1wg7 h LEU 125 Cb 2.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1wg7 h LEU 125 CO 0.12 0.76 0.01 0.78 0.09 0.00 0.00 178.44 180.20 1wg7 h ASN 126 N 0.09 0.20 -0.30 -0.43 2.35 0.17 0.88 115.58 118.53 1wg7 h ASN 126 Ca -0.01 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1wg7 h ASN 126 Cb 1.17 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 1wg7 h ASN 126 CO 0.09 0.23 -0.38 0.15 -1.65 0.00 0.00 177.43 175.88 1wg7 h PHE 127 N 0.22 0.96 0.00 1.19 3.04 -1.57 -2.70 116.94 118.08 1wg7 h PHE 127 Ca 0.05 -0.31 -0.08 0.00 3.98 0.00 0.00 57.97 61.61 1wg7 h PHE 127 Cb 0.14 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1wg7 h PHE 127 CO 0.00 1.10 -0.42 0.93 -2.02 0.00 0.00 178.31 177.90 1wg7 h GLU 128 N 0.56 0.00 0.00 1.11 5.08 -1.28 -3.09 114.58 116.96 1wg7 h GLU 128 Ca 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1wg7 h GLU 128 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1wg7 h GLU 128 CO 0.09 0.37 -0.18 0.00 -1.00 0.00 0.00 179.01 178.28 1wg7 h ALA 129 N 1.62 1.07 0.00 3.43 0.00 0.86 -0.95 119.26 125.29 1wg7 h ALA 129 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wg7 h ALA 129 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wg7 h ALA 129 CO 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 1wg7 h ALA 130 N 1.82 -0.00 -0.54 0.00 0.00 -1.40 -2.32 119.26 116.82 1wg7 h ALA 130 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wg7 h ALA 130 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1wg7 h ALA 130 CO 0.02 -0.02 0.35 0.52 0.00 0.00 0.00 179.25 180.12 1wg7 h MET 131 N -0.94 0.71 -0.10 0.00 2.07 -1.48 0.53 114.93 115.71 1wg7 h MET 131 Ca -0.00 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 1wg7 h MET 131 Cb 0.95 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1wg7 h MET 131 CO 0.00 0.48 -0.10 -0.56 1.07 0.00 0.00 176.91 177.80 1wg7 h GLN 132 N 0.73 0.25 -0.29 1.72 3.07 -1.26 -2.98 115.11 116.35 1wg7 h GLN 132 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 58.65 58.77 1wg7 h GLN 132 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.48 1wg7 h GLN 132 CO -0.04 0.65 0.03 0.93 0.09 0.00 0.00 178.83 180.50 1wg7 h GLU 133 N -0.15 0.48 -0.83 0.06 4.39 -0.95 -2.90 114.58 114.67 1wg7 h GLU 133 Ca 0.02 -0.14 0.20 0.00 0.34 0.00 0.00 59.36 59.78 1wg7 h GLU 133 Cb 0.61 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.06 1wg7 h GLU 133 CO 0.02 0.60 0.04 -0.22 -1.16 0.00 0.00 179.01 178.30 1wg7 h LYS 134 N 0.29 0.10 -1.98 2.33 3.64 0.03 0.41 116.57 121.38 1wg7 h LYS 134 Ca 0.09 -0.01 -0.44 0.00 -1.27 0.00 0.00 60.65 59.02 1wg7 h LYS 134 Cb 0.36 -0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.00 1wg7 h LYS 134 CO 0.01 0.06 0.27 0.54 -2.27 0.00 0.00 179.45 178.06 1wg7 n ARG 135 N -5.36 2.31 -3.15 1.90 5.12 -1.10 -4.67 116.66 111.71 1wg7 n ARG 135 Ca 0.17 -2.10 0.05 0.00 -1.93 0.00 0.00 57.85 54.03 1wg7 n ARG 135 Cb 0.56 -2.10 -0.01 0.00 -1.16 0.00 0.00 32.46 29.75 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 0.61 -0.84 -1.06 0.55 3.84 0.14 -5.00 114.94 113.20 1wg7 s ASN 136 Ca 0.59 0.52 -0.24 0.00 0.21 0.00 0.00 52.86 53.94 1wg7 s ASN 136 Cb 0.37 1.70 -0.11 0.00 -0.55 0.00 0.00 41.25 42.66 1wg7 s ASN 136 CO -0.18 -0.16 2.02 -0.83 -2.79 0.00 0.00 177.10 175.17 1wg7 s GLY 137 N 2.92 -0.20 -0.30 1.21 0.00 -1.26 -4.70 107.32 104.98 1wg7 s GLY 137 Ca 0.08 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.96 1wg7 s GLY 137 CO -0.15 3.76 1.00 0.99 0.00 0.00 0.00 173.10 178.70 1wg7 s ASP 138 N 7.73 -0.57 0.00 1.64 1.01 -1.26 -5.17 116.67 120.04 1wg7 s ASP 138 Ca 0.74 0.37 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1wg7 s ASP 138 Cb -0.04 1.48 0.00 0.00 1.01 0.00 0.00 42.92 45.37 1wg7 s ASP 138 CO 0.10 -0.11 0.00 -1.20 0.21 0.00 0.00 175.17 174.18 1wg7 n SER 139 N 5.45 0.00 -3.18 0.27 7.64 -1.26 -4.85 113.62 117.69 1wg7 n SER 139 Ca -0.06 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.65 1wg7 n SER 139 Cb 0.53 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1wg7 n SER 139 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wg7 s HIS 140 N -2.00 1.25 0.15 1.43 3.76 -1.26 -5.14 115.29 113.48 1wg7 s HIS 140 Ca 0.00 -1.41 -0.04 0.00 -0.15 0.00 0.00 55.06 53.47 1wg7 s HIS 140 Cb 0.00 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.42 1wg7 s HIS 140 CO 0.00 -1.11 0.37 -1.21 -0.85 0.00 0.00 174.74 171.94 1wg7 s GLU 141 N -3.02 3.59 0.00 1.40 2.02 -1.26 -4.77 118.70 116.66 1wg7 s GLU 141 Ca 0.33 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1wg7 s GLU 141 Cb -0.00 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1wg7 s GLU 141 CO 0.23 0.46 0.00 -3.47 0.02 0.00 0.00 175.26 172.49 1wg7 n ASP 142 N -0.06 0.00 -3.58 -0.19 -0.08 -1.26 -4.93 116.55 106.45 1wg7 n ASP 142 Ca -0.03 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.28 1wg7 n ASP 142 Cb 0.52 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 1wg7 n ASP 142 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1wg7 s ASP 143 N 0.00 -0.02 -0.29 1.67 1.47 -1.26 -4.89 116.67 113.35 1wg7 s ASP 143 Ca 0.00 -0.04 0.01 0.00 1.18 0.00 0.00 52.55 53.70 1wg7 s ASP 143 Cb 0.00 0.05 0.16 0.00 -0.34 0.00 0.00 42.92 42.79 1wg7 s ASP 143 CO 0.00 -0.10 0.40 -0.70 0.68 0.00 0.00 175.17 175.45 1wg7 s GLU 144 N -2.14 0.40 0.55 2.11 -6.30 -1.26 -5.12 118.70 106.94 1wg7 s GLU 144 Ca 0.15 0.13 0.00 0.00 -2.50 0.00 0.00 54.97 52.74 1wg7 s GLU 144 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 34.13 33.85 1wg7 s GLU 144 CO -0.06 -1.01 0.00 0.45 0.02 0.00 0.00 175.26 174.66 1wg7 n SER 145 N 5.35 -7.81 0.00 -1.70 2.88 -1.26 -5.06 113.62 106.02 1wg7 n SER 145 Ca 0.00 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1wg7 n SER 145 Cb 0.49 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 146 N -4.25 5.46 3.80 0.46 0.00 -1.26 -5.15 105.19 104.26 1wg7 n GLY 146 Ca -0.07 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 1.28 3.74 0.00 1.61 0.04 -1.26 -5.01 135.00 135.40 1wg7 s PRO 147 Ca 0.00 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1wg7 s PRO 147 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1wg7 s PRO 147 CO 0.00 -0.47 0.00 0.43 0.04 0.00 0.00 177.00 177.00 1wg7 n SER 148 N -1.12 0.00 -4.19 6.66 7.64 -1.26 -5.18 113.62 116.18 1wg7 n SER 148 Ca 0.09 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.85 1wg7 n SER 148 Cb 0.53 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 0.16 0.00 6.43 0.15 -1.26 -5.19 113.70 113.99 1wg7 s SER 149 Ca 0.00 -1.35 0.24 0.00 0.70 0.00 0.00 55.95 55.54 1wg7 s SER 149 Cb 0.00 0.38 0.19 0.00 -1.71 0.00 0.00 66.02 64.88 1wg7 s SER 149 CO 0.00 -0.84 1.26 0.61 1.20 0.00 0.00 173.24 175.47