#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vh9 s LEU 1 N 0.00 4.29 -0.20 2.46 2.96 -1.26 -4.27 118.68 122.66 1vh9 s LEU 1 Ca 0.00 1.97 0.09 0.00 -0.22 0.00 0.00 54.13 55.98 1vh9 s LEU 1 Cb 0.00 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.94 1vh9 s LEU 1 CO 0.00 -0.68 -0.07 2.30 -1.32 0.00 0.00 176.35 176.59 1vh9 n ILE 2 N 4.72 1.29 -1.68 6.68 -5.35 -0.84 -5.02 119.36 119.17 1vh9 n ILE 2 Ca 0.12 -0.65 -0.41 0.00 -0.27 0.00 0.00 62.75 61.55 1vh9 n ILE 2 Cb 0.45 -0.90 0.01 0.00 -1.74 0.00 0.00 39.64 37.46 1vh9 n ILE 2 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1vh9 n TRP 3 N -2.91 1.87 0.18 4.28 5.03 -1.26 -4.93 117.44 119.69 1vh9 n TRP 3 Ca -0.35 0.52 0.06 0.00 3.03 0.00 0.00 57.50 60.76 1vh9 n TRP 3 Cb 1.02 -2.33 -0.09 0.00 -1.03 0.00 0.00 31.31 28.88 1vh9 n TRP 3 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1vh9 n LYS 4 N 0.07 1.24 -4.61 -0.99 5.02 0.26 -4.91 118.16 114.24 1vh9 n LYS 4 Ca 0.07 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1vh9 n LYS 4 Cb 0.39 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.07 1vh9 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vh9 s ARG 5 N -2.62 3.02 -0.30 1.97 0.52 -0.47 -4.88 118.95 116.19 1vh9 s ARG 5 Ca -0.02 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1vh9 s ARG 5 Cb 0.08 -2.66 0.04 0.00 0.52 0.00 0.00 34.95 32.94 1vh9 s ARG 5 CO 0.50 0.52 0.02 -1.01 0.02 0.00 0.00 175.30 175.35 1vh9 s HIS 6 N -0.41 3.25 0.06 -0.53 3.76 -1.26 -4.91 115.29 115.26 1vh9 s HIS 6 Ca 0.06 -1.74 0.03 0.00 -0.15 0.00 0.00 55.06 53.26 1vh9 s HIS 6 Cb -0.12 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 1vh9 s HIS 6 CO 0.02 -0.78 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.52 1vh9 s LEU 7 N 1.29 2.31 0.52 0.89 1.43 -1.26 -5.16 118.68 118.70 1vh9 s LEU 7 Ca -0.04 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1vh9 s LEU 7 Cb -0.19 -0.28 -0.00 0.00 0.03 0.00 0.00 46.19 45.74 1vh9 s LEU 7 CO -0.00 -0.20 0.80 0.42 0.23 0.00 0.00 176.35 177.60 1vh9 s THR 8 N -1.70 3.96 0.43 5.49 -4.23 -1.26 -4.91 115.64 113.43 1vh9 s THR 8 Ca -0.03 -0.15 0.09 0.00 -1.18 0.00 0.00 61.69 60.42 1vh9 s THR 8 Cb -0.08 -3.52 0.27 0.00 1.34 0.00 0.00 72.50 70.50 1vh9 s THR 8 CO 0.01 -0.48 2.08 -0.07 -0.54 0.00 0.00 174.62 175.62 1vh9 h LEU 9 N 0.09 0.38 -0.41 4.79 3.38 -1.99 0.22 115.31 121.77 1vh9 h LEU 9 Ca -0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1vh9 h LEU 9 Cb 1.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1vh9 h LEU 9 CO 0.60 0.28 0.19 -0.78 0.09 0.00 0.00 178.44 178.81 1vh9 h ASP 10 N 0.44 0.55 -0.36 -0.43 3.58 -1.95 -0.93 116.42 117.33 1vh9 h ASP 10 Ca 0.12 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1vh9 h ASP 10 Cb -0.05 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1vh9 h ASP 10 CO -0.03 0.54 -0.19 -0.33 -2.88 0.00 0.00 179.24 176.35 1vh9 h GLU 11 N 0.52 0.84 0.00 0.28 5.08 -1.67 -2.31 114.58 117.33 1vh9 h GLU 11 Ca 0.14 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1vh9 h GLU 11 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1vh9 h GLU 11 CO -0.02 0.96 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.88 1vh9 h LEU 12 N 0.74 -0.00 -1.51 1.33 3.38 -0.62 -2.71 115.31 115.91 1vh9 h LEU 12 Ca 0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1vh9 h LEU 12 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1vh9 h LEU 12 CO 0.05 0.03 -0.25 0.78 0.09 0.00 0.00 178.44 179.14 1vh9 h ASN 13 N -0.03 0.00 0.25 -0.43 2.35 -1.16 -2.58 115.58 113.98 1vh9 h ASN 13 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1vh9 h ASN 13 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1vh9 h ASN 13 CO 0.00 0.25 -0.18 0.00 -1.65 0.00 0.00 177.43 175.85 1vh9 h ALA 14 N 1.75 1.54 0.00 -0.83 0.00 -1.09 -2.31 119.26 118.32 1vh9 h ALA 14 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vh9 h ALA 14 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vh9 h ALA 14 CO 0.03 0.23 0.00 1.79 0.00 0.00 0.00 179.25 181.30 1vh9 h THR 15 N 0.00 0.00 0.00 0.00 1.35 -1.34 -3.13 112.91 109.79 1vh9 h THR 15 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1vh9 h THR 15 Cb 0.36 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1vh9 h THR 15 CO 0.02 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.57 1vh9 h SER 16 N 0.00 0.00 -1.62 5.36 0.02 -1.54 -3.47 113.55 112.30 1vh9 h SER 16 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1vh9 h SER 16 Cb 0.43 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.02 1vh9 h SER 16 CO 0.00 0.00 0.51 0.47 -1.14 0.00 0.00 176.83 176.67 1vh9 n ASP 17 N -2.89 1.68 -2.87 3.07 9.92 -1.19 -1.92 116.55 122.36 1vh9 n ASP 17 Ca 0.02 1.11 -0.21 0.00 -0.53 0.00 0.00 54.79 55.18 1vh9 n ASP 17 Cb 0.33 -1.17 0.03 0.00 -0.64 0.00 0.00 41.12 39.68 1vh9 n ASP 17 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1vh9 n ASN 18 N 2.94 -5.95 -3.93 -2.24 3.02 -1.26 -5.00 115.26 102.84 1vh9 n ASN 18 Ca 0.20 -0.27 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 1vh9 n ASN 18 Cb 0.17 -4.77 -0.09 0.00 -0.61 0.00 0.00 39.78 34.49 1vh9 n ASN 18 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vh9 s THR 19 N -3.15 0.39 0.43 3.41 -4.23 -0.81 -5.03 115.64 106.64 1vh9 s THR 19 Ca 0.29 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1vh9 s THR 19 Cb -0.13 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.43 1vh9 s THR 19 CO 0.35 0.00 1.97 -0.03 -0.54 0.00 0.00 174.62 176.37 1vh9 h MET 20 N 2.05 0.04 -0.10 3.99 4.05 -1.95 -2.03 114.93 120.98 1vh9 h MET 20 Ca -0.33 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1vh9 h MET 20 Cb 1.25 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 1vh9 h MET 20 CO 0.51 0.23 -0.05 0.28 0.23 0.00 0.00 176.91 178.11 1vh9 h VAL 21 N 0.04 0.84 -0.24 -5.77 2.07 -1.95 -1.45 116.25 109.78 1vh9 h VAL 21 Ca 0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1vh9 h VAL 21 Cb 0.36 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1vh9 h VAL 21 CO 0.02 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.14 1vh9 h ALA 22 N 1.05 0.70 -0.42 1.67 0.00 -1.58 -1.47 119.26 119.22 1vh9 h ALA 22 Ca 0.06 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1vh9 h ALA 22 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vh9 h ALA 22 CO -0.13 0.67 0.29 1.25 0.00 0.00 0.00 179.25 181.33 1vh9 h HIS 23 N 0.52 0.26 -0.33 0.00 2.76 -0.87 -0.43 115.15 117.06 1vh9 h HIS 23 Ca 0.03 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1vh9 h HIS 23 Cb 1.03 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1vh9 h HIS 23 CO 0.05 0.13 0.00 1.28 -1.30 0.00 0.00 177.93 178.09 1vh9 n LEU 24 N -4.47 2.96 -1.29 0.26 4.77 -0.59 -4.95 117.00 113.69 1vh9 n LEU 24 Ca 0.06 -1.27 -0.12 0.00 -0.03 0.00 0.00 56.01 54.65 1vh9 n LEU 24 Cb 0.31 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1vh9 n LEU 24 CO 0.35 0.63 -0.15 0.61 -1.33 0.00 0.00 177.39 177.50 1vh9 n GLY 25 N 1.40 0.21 3.74 -0.72 0.00 -0.17 -4.44 105.19 105.21 1vh9 n GLY 25 Ca 0.18 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1vh9 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vh9 s ILE 26 N -2.58 4.03 -0.06 -0.61 1.01 -0.56 -4.44 121.20 117.98 1vh9 s ILE 26 Ca 0.00 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.47 1vh9 s ILE 26 Cb 0.00 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.33 1vh9 s ILE 26 CO 0.00 0.34 -0.06 -0.69 0.00 0.00 0.00 174.94 174.53 1vh9 s VAL 27 N -0.47 0.73 0.00 2.92 1.01 -0.45 -4.66 120.40 119.48 1vh9 s VAL 27 Ca 0.46 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1vh9 s VAL 27 Cb -0.27 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1vh9 s VAL 27 CO 0.34 0.28 1.32 -0.31 0.00 0.00 0.00 175.10 176.72 1vh9 s TYR 28 N 1.09 3.05 -0.30 5.22 1.51 -1.26 -0.75 117.35 125.92 1vh9 s TYR 28 Ca -0.08 1.00 0.03 0.00 -1.01 0.00 0.00 57.07 57.02 1vh9 s TYR 28 Cb -0.14 -3.56 -0.00 0.00 -0.11 0.00 0.00 41.96 38.14 1vh9 s TYR 28 CO -0.01 -1.97 0.37 0.25 -1.11 0.00 0.00 175.55 173.08 1vh9 n THR 29 N 4.50 0.00 -3.64 -0.71 -2.24 0.07 -4.93 114.28 107.33 1vh9 n THR 29 Ca 0.12 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1vh9 n THR 29 Cb 0.45 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1vh9 n THR 29 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1vh9 s ARG 30 N -0.81 0.66 -0.20 -0.78 3.52 -1.17 -4.97 118.95 115.20 1vh9 s ARG 30 Ca 0.03 0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1vh9 s ARG 30 Cb 0.03 0.28 0.06 0.00 -1.56 0.00 0.00 34.95 33.75 1vh9 s ARG 30 CO 0.09 -0.09 0.04 -1.17 -0.81 0.00 0.00 175.30 173.36 1vh9 s LEU 31 N 0.64 1.16 0.00 -0.88 2.96 -1.26 -1.22 118.68 120.08 1vh9 s LEU 31 Ca -0.02 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1vh9 s LEU 31 Cb -0.05 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1vh9 s LEU 31 CO -0.07 -0.31 0.13 0.61 -1.32 0.00 0.00 176.35 175.39 1vh9 n GLY 32 N 5.06 2.46 0.33 7.98 0.00 0.30 -4.99 105.19 116.33 1vh9 n GLY 32 Ca -0.09 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.78 1vh9 n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vh9 h ASP 33 N 0.08 0.66 -0.01 1.61 3.45 -2.01 -3.31 116.42 116.88 1vh9 h ASP 33 Ca -0.07 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.20 1vh9 h ASP 33 Cb 0.27 -0.17 -0.35 0.00 -0.56 0.00 0.00 39.33 38.52 1vh9 h ASP 33 CO 0.10 0.48 -0.93 -0.90 -1.57 0.00 0.00 179.24 176.42 1vh9 n ASP 34 N -4.45 0.71 -3.63 6.45 3.85 -1.26 -1.98 116.55 116.25 1vh9 n ASP 34 Ca 0.06 -2.00 -0.15 0.00 -0.71 0.00 0.00 54.79 51.99 1vh9 n ASP 34 Cb 0.05 -0.21 -0.07 0.00 -1.35 0.00 0.00 41.12 39.54 1vh9 n ASP 34 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1vh9 s VAL 35 N -0.11 0.03 -0.00 2.12 1.01 -1.25 -4.50 120.40 117.70 1vh9 s VAL 35 Ca 0.29 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1vh9 s VAL 35 Cb 0.33 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1vh9 s VAL 35 CO -0.14 -0.15 -0.04 -0.22 0.00 0.00 0.00 175.10 174.55 1vh9 s LEU 36 N -1.53 1.99 0.08 3.92 2.96 -0.95 -0.53 118.68 124.63 1vh9 s LEU 36 Ca -0.10 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1vh9 s LEU 36 Cb -0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 1vh9 s LEU 36 CO 0.04 0.04 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.40 1vh9 s GLU 37 N -0.07 0.78 0.03 1.98 2.02 -0.36 -0.97 118.70 122.11 1vh9 s GLU 37 Ca 0.01 -1.08 -0.17 0.00 0.02 0.00 0.00 54.97 53.75 1vh9 s GLU 37 Cb -0.02 -0.47 0.03 0.00 0.10 0.00 0.00 34.13 33.78 1vh9 s GLU 37 CO -0.00 0.07 0.38 0.00 0.02 0.00 0.00 175.26 175.73 1vh9 s ALA 38 N -2.28 -0.93 0.16 5.21 0.00 -1.05 -0.75 121.76 122.11 1vh9 s ALA 38 Ca 0.03 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.40 1vh9 s ALA 38 Cb -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1vh9 s ALA 38 CO -0.00 -0.40 -0.26 -1.21 0.00 0.00 0.00 175.76 173.89 1vh9 s GLU 39 N -2.19 1.46 -0.04 0.00 2.02 0.07 -1.23 118.70 118.79 1vh9 s GLU 39 Ca -0.07 -1.43 -0.03 0.00 0.02 0.00 0.00 54.97 53.46 1vh9 s GLU 39 Cb -0.02 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.36 1vh9 s GLU 39 CO -0.01 0.43 0.09 1.41 0.02 0.00 0.00 175.26 177.21 1vh9 s MET 40 N -2.34 0.08 0.52 1.61 -2.45 -0.70 -1.34 119.30 114.67 1vh9 s MET 40 Ca 0.17 0.19 -0.20 0.00 -1.25 0.00 0.00 55.69 54.60 1vh9 s MET 40 Cb -0.09 -0.04 -0.07 0.00 1.25 0.00 0.00 34.83 35.88 1vh9 s MET 40 CO 0.08 -0.06 1.08 -1.25 1.05 0.00 0.00 175.02 175.91 1vh9 s PRO 41 N 0.42 3.58 -0.73 4.11 0.04 -1.26 -1.23 135.00 139.93 1vh9 s PRO 41 Ca -0.03 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1vh9 s PRO 41 Cb -0.04 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1vh9 s PRO 41 CO -0.02 -0.63 0.57 0.08 0.04 0.00 0.00 177.00 177.04 1vh9 s VAL 42 N -1.91 3.90 0.00 -0.36 1.01 0.10 -4.70 120.40 118.45 1vh9 s VAL 42 Ca 0.70 -3.39 0.00 0.00 0.00 0.00 0.00 61.98 59.29 1vh9 s VAL 42 Cb -0.20 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1vh9 s VAL 42 CO 0.24 -0.96 0.00 -0.90 0.00 0.00 0.00 175.10 173.47 1vh9 n ASP 43 N 2.96 0.00 0.10 3.32 3.85 -1.26 -4.06 116.55 121.45 1vh9 n ASP 43 Ca 0.14 -0.10 0.20 0.00 -0.71 0.00 0.00 54.79 54.31 1vh9 n ASP 43 Cb 0.37 0.00 0.75 0.00 -1.35 0.00 0.00 41.12 40.90 1vh9 n ASP 43 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1vh9 h THR 44 N 0.10 0.39 0.00 2.12 1.35 -1.96 0.08 112.91 115.00 1vh9 h THR 44 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 1vh9 h THR 44 Cb 0.00 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1vh9 h THR 44 CO 0.00 0.00 -0.42 0.03 -0.25 0.00 0.00 175.52 174.88 1vh9 h ARG 45 N 0.00 0.00 0.00 4.72 3.08 -1.96 -3.34 114.38 116.89 1vh9 h ARG 45 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1vh9 h ARG 45 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1vh9 h ARG 45 CO -0.00 0.42 -0.04 0.25 -1.07 0.00 0.00 179.97 179.53 1vh9 n THR 46 N -3.35 1.12 -2.72 2.04 -2.24 -0.12 -5.00 114.28 104.01 1vh9 n THR 46 Ca 0.01 -1.25 -0.26 0.00 -2.27 0.00 0.00 64.05 60.28 1vh9 n THR 46 Cb 0.62 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1vh9 n THR 46 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1vh9 s HIS 47 N -1.46 3.40 0.35 4.78 3.76 -0.39 -0.97 115.29 124.77 1vh9 s HIS 47 Ca 0.11 0.60 0.08 0.00 -0.15 0.00 0.00 55.06 55.69 1vh9 s HIS 47 Cb 0.09 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 1vh9 s HIS 47 CO 0.01 -0.40 0.24 1.14 -0.85 0.00 0.00 174.74 174.87 1vh9 s GLN 48 N -4.73 2.52 0.63 1.40 1.03 -0.26 -4.54 119.66 115.72 1vh9 s GLN 48 Ca 0.49 -1.47 0.10 0.00 0.04 0.00 0.00 55.36 54.52 1vh9 s GLN 48 Cb -0.10 -2.31 0.53 0.00 0.03 0.00 0.00 33.01 31.16 1vh9 s GLN 48 CO 0.43 0.04 1.28 -1.35 -2.54 0.00 0.00 175.29 173.15 1vh9 h PRO 49 N 1.35 0.00 -0.22 9.60 0.11 -2.00 -0.86 132.00 139.98 1vh9 h PRO 49 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1vh9 h PRO 49 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1vh9 h PRO 49 CO 0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 1vh9 n PHE 50 N -2.57 0.27 -0.30 0.65 3.01 -1.26 -4.96 117.46 112.31 1vh9 n PHE 50 Ca -0.01 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1vh9 n PHE 50 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 1vh9 n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vh9 n GLY 51 N 1.41 0.75 3.92 1.37 0.00 -0.33 -5.08 105.19 107.23 1vh9 n GLY 51 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1vh9 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vh9 s LEU 52 N 0.00 3.52 0.07 0.99 1.43 -1.26 -4.74 118.68 118.69 1vh9 s LEU 52 Ca 0.00 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.20 1vh9 s LEU 52 Cb 0.00 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 1vh9 s LEU 52 CO 0.00 -0.63 1.54 -0.22 0.23 0.00 0.00 176.35 177.27 1vh9 s LEU 53 N -4.18 4.35 0.17 1.79 2.96 -0.06 -1.10 118.68 122.61 1vh9 s LEU 53 Ca 0.49 2.38 -0.31 0.00 -0.22 0.00 0.00 54.13 56.47 1vh9 s LEU 53 Cb -0.06 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 1vh9 s LEU 53 CO 0.29 -0.81 1.54 -2.28 -1.32 0.00 0.00 176.35 173.77 1vh9 s HIS 54 N 2.21 3.07 0.56 5.38 5.65 -0.14 -4.76 115.29 127.25 1vh9 s HIS 54 Ca 0.70 0.71 0.23 0.00 0.25 0.00 0.00 55.06 56.94 1vh9 s HIS 54 Cb -0.38 -3.90 1.54 0.00 -1.18 0.00 0.00 32.58 28.66 1vh9 s HIS 54 CO 0.30 -3.24 2.18 0.78 -0.65 0.00 0.00 174.74 174.12 1vh9 h GLY 55 N 6.53 0.00 2.00 1.59 0.00 -1.92 -0.46 103.07 110.81 1vh9 h GLY 55 Ca -0.43 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1vh9 h GLY 55 CO 0.89 0.00 -0.26 -1.33 0.00 0.00 0.00 176.54 175.84 1vh9 h GLY 56 N 0.00 0.00 1.15 4.60 0.00 -1.95 -2.26 103.07 104.61 1vh9 h GLY 56 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 1vh9 h GLY 56 CO -0.00 0.00 -0.83 0.00 0.00 0.00 0.00 176.54 175.71 1vh9 h ALA 57 N 1.74 0.24 -0.76 3.60 0.00 -1.39 -1.86 119.26 120.84 1vh9 h ALA 57 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1vh9 h ALA 57 Cb 0.58 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1vh9 h ALA 57 CO 0.03 0.65 0.31 0.77 0.00 0.00 0.00 179.25 181.01 1vh9 h SER 58 N 0.45 1.02 -0.28 0.00 0.02 -1.42 -1.11 113.55 112.23 1vh9 h SER 58 Ca -0.07 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 1vh9 h SER 58 Cb 1.47 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1vh9 h SER 58 CO 0.17 0.90 -0.21 0.00 -1.14 0.00 0.00 176.83 176.55 1vh9 h ALA 59 N 1.25 0.90 -0.47 3.77 0.00 -1.37 -2.26 119.26 121.06 1vh9 h ALA 59 Ca 0.25 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1vh9 h ALA 59 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vh9 h ALA 59 CO -0.02 0.62 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 1vh9 h ALA 60 N 1.09 0.75 -0.53 0.00 0.00 -0.89 -1.27 119.26 118.41 1vh9 h ALA 60 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1vh9 h ALA 60 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1vh9 h ALA 60 CO 0.06 0.67 0.25 1.25 0.00 0.00 0.00 179.25 181.48 1vh9 h LEU 61 N 0.83 0.69 -0.25 0.00 5.85 -1.08 -0.86 115.31 120.49 1vh9 h LEU 61 Ca 0.11 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1vh9 h LEU 61 Cb 0.76 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1vh9 h LEU 61 CO 0.06 0.63 0.06 0.00 -0.34 0.00 0.00 178.44 178.85 1vh9 h ALA 62 N 1.09 0.33 -0.25 1.25 0.00 -1.20 -1.38 119.26 119.11 1vh9 h ALA 62 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vh9 h ALA 62 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vh9 h ALA 62 CO -0.02 -0.02 -0.14 1.49 0.00 0.00 0.00 179.25 180.56 1vh9 h GLU 63 N 0.24 0.42 -0.05 0.00 4.81 -1.15 -0.98 114.58 117.86 1vh9 h GLU 63 Ca 0.08 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1vh9 h GLU 63 Cb 0.27 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1vh9 h GLU 63 CO 0.00 0.56 0.03 1.15 -0.73 0.00 0.00 179.01 180.02 1vh9 h THR 64 N 0.39 1.10 -0.04 0.32 2.02 -0.91 -1.95 112.91 113.84 1vh9 h THR 64 Ca 0.07 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1vh9 h THR 64 Cb 0.48 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1vh9 h THR 64 CO 0.03 0.09 0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1vh9 h LEU 65 N -0.03 0.06 -1.05 2.58 3.38 -0.85 -2.44 115.31 116.97 1vh9 h LEU 65 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1vh9 h LEU 65 Cb 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1vh9 h LEU 65 CO -0.00 0.22 0.32 1.23 0.09 0.00 0.00 178.44 180.30 1vh9 h GLY 66 N -0.10 1.06 0.87 0.83 0.00 -1.23 -1.78 103.07 102.72 1vh9 h GLY 66 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1vh9 h GLY 66 CO -0.00 0.49 0.07 1.76 0.00 0.00 0.00 176.54 178.86 1vh9 h SER 67 N 0.98 0.28 -0.50 0.19 0.02 -1.28 -0.55 113.55 112.69 1vh9 h SER 67 Ca 0.24 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1vh9 h SER 67 Cb 0.12 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1vh9 h SER 67 CO -0.03 0.40 0.07 -0.03 -1.14 0.00 0.00 176.83 176.11 1vh9 h MET 68 N 0.15 0.83 -0.84 3.45 -1.53 -1.29 -0.26 114.93 115.44 1vh9 h MET 68 Ca 0.06 -0.23 -0.03 0.00 -3.44 0.00 0.00 59.70 56.07 1vh9 h MET 68 Cb 0.22 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 1vh9 h MET 68 CO -0.00 0.83 0.41 0.00 0.14 0.00 0.00 176.91 178.29 1vh9 h ALA 69 N 0.97 1.08 -0.83 0.39 0.00 -1.30 -1.11 119.26 118.46 1vh9 h ALA 69 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1vh9 h ALA 69 Cb 0.41 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1vh9 h ALA 69 CO 0.01 0.64 0.43 0.78 0.00 0.00 0.00 179.25 181.10 1vh9 h GLY 70 N 1.19 1.25 0.97 0.00 0.00 -0.67 -2.84 103.07 102.96 1vh9 h GLY 70 Ca 0.29 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1vh9 h GLY 70 CO -0.04 0.57 0.22 -2.75 0.00 0.00 0.00 176.54 174.54 1vh9 h PHE 71 N 1.16 0.57 0.00 5.60 3.57 -0.25 -1.79 116.94 125.80 1vh9 h PHE 71 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1vh9 h PHE 71 Cb 0.07 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1vh9 h PHE 71 CO 0.01 0.44 0.00 -1.33 -2.23 0.00 0.00 178.31 175.20 1vh9 n MET 72 N -4.72 0.36 -0.08 1.11 2.81 -0.50 -1.73 117.12 114.39 1vh9 n MET 72 Ca 0.00 0.06 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1vh9 n MET 72 Cb 0.09 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.31 1vh9 n MET 72 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1vh9 n MET 73 N -1.12 2.28 -4.44 0.03 1.56 -0.67 -0.57 117.12 114.18 1vh9 n MET 73 Ca 0.10 -1.89 -0.25 0.00 -0.27 0.00 0.00 57.70 55.38 1vh9 n MET 73 Cb 0.08 -1.48 -0.09 0.00 2.15 0.00 0.00 33.22 33.88 1vh9 n MET 73 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1vh9 s THR 74 N -1.80 2.49 0.35 1.12 -4.23 -0.70 -4.72 115.64 108.15 1vh9 s THR 74 Ca 0.33 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.79 1vh9 s THR 74 Cb 0.21 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 1vh9 s THR 74 CO 0.31 -0.24 0.09 0.00 -0.54 0.00 0.00 174.62 174.24 1vh9 s ARG 75 N -3.64 2.23 -0.03 3.99 3.03 -1.26 -4.19 118.95 119.09 1vh9 s ARG 75 Ca 0.33 -1.66 -0.28 0.00 2.03 0.00 0.00 55.73 56.15 1vh9 s ARG 75 Cb -0.00 -2.05 -0.14 0.00 -1.03 0.00 0.00 34.95 31.73 1vh9 s ARG 75 CO 0.17 0.10 0.76 -3.47 -1.13 0.00 0.00 175.30 171.73 1vh9 n ASP 76 N -1.08 0.06 0.00 -2.89 4.64 -1.26 -0.98 116.55 115.05 1vh9 n ASP 76 Ca -0.03 0.79 0.00 0.00 -1.38 0.00 0.00 54.79 54.17 1vh9 n ASP 76 Cb 0.62 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 40.07 1vh9 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1vh9 n GLY 77 N 1.16 3.02 3.88 0.27 0.00 -1.26 -5.04 105.19 107.22 1vh9 n GLY 77 Ca 0.14 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1vh9 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vh9 s GLN 78 N 0.00 3.16 0.05 1.61 -0.21 -0.15 -4.43 119.66 119.68 1vh9 s GLN 78 Ca 0.00 0.57 -0.15 0.00 0.02 0.00 0.00 55.36 55.80 1vh9 s GLN 78 Cb 0.00 -2.05 0.03 0.00 1.00 0.00 0.00 33.01 31.99 1vh9 s GLN 78 CO 0.00 -0.84 0.34 0.00 -2.12 0.00 0.00 175.29 172.67 1vh9 s VAL 80 N -2.64 2.31 -0.20 0.00 -7.23 -1.26 0.15 120.40 111.53 1vh9 s VAL 80 Ca -0.04 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 1vh9 s VAL 80 Cb -0.01 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.20 1vh9 s VAL 80 CO -0.04 -0.14 0.51 0.54 -0.31 0.00 0.00 175.10 175.66 1vh9 s VAL 81 N -2.60 -0.01 0.06 1.32 0.11 0.44 -4.93 120.40 114.79 1vh9 s VAL 81 Ca 0.34 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 1vh9 s VAL 81 Cb 0.03 -0.73 -0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1vh9 s VAL 81 CO 0.18 0.01 1.30 -0.83 -3.33 0.00 0.00 175.10 172.44 1vh9 s GLY 82 N 0.97 2.14 -0.09 6.54 0.00 -1.26 -0.46 107.32 115.16 1vh9 s GLY 82 Ca -0.06 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 45.58 1vh9 s GLY 82 CO -0.08 2.24 -0.10 -1.30 0.00 0.00 0.00 173.10 173.85 1vh9 n THR 83 N 4.10 0.52 -4.19 0.90 -2.24 -0.54 -4.93 114.28 107.91 1vh9 n THR 83 Ca 0.11 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 1vh9 n THR 83 Cb 0.44 -1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 67.30 1vh9 n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1vh9 s GLU 84 N -2.18 1.26 -0.02 -0.78 0.41 -1.19 -4.99 118.70 111.20 1vh9 s GLU 84 Ca -0.13 -0.22 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 1vh9 s GLU 84 Cb 0.04 -1.22 0.00 0.00 -1.78 0.00 0.00 34.13 31.17 1vh9 s GLU 84 CO 0.19 -0.12 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.57 1vh9 s LEU 85 N 1.15 1.85 0.04 1.80 2.96 -1.26 -0.12 118.68 125.11 1vh9 s LEU 85 Ca -0.06 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1vh9 s LEU 85 Cb -0.14 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 1vh9 s LEU 85 CO -0.01 0.09 -0.04 0.54 -1.32 0.00 0.00 176.35 175.61 1vh9 s ASN 86 N 0.08 0.46 -0.11 3.68 2.20 -1.02 -5.03 114.94 115.21 1vh9 s ASN 86 Ca -0.02 -0.78 -0.19 0.00 -0.94 0.00 0.00 52.86 50.93 1vh9 s ASN 86 Cb -0.08 0.14 0.05 0.00 -2.00 0.00 0.00 41.25 39.36 1vh9 s ASN 86 CO 0.00 -0.45 0.48 0.00 -2.94 0.00 0.00 177.10 174.19 1vh9 s ALA 87 N -2.80 -1.20 -0.16 3.54 0.00 -1.26 -2.45 121.76 117.42 1vh9 s ALA 87 Ca -0.03 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1vh9 s ALA 87 Cb -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1vh9 s ALA 87 CO -0.06 -0.27 -0.20 0.99 0.00 0.00 0.00 175.76 176.23 1vh9 s THR 88 N -0.46 1.97 -0.49 0.00 2.01 -0.57 -5.01 115.64 113.09 1vh9 s THR 88 Ca -0.06 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 1vh9 s THR 88 Cb -0.03 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1vh9 s THR 88 CO 0.03 0.53 0.67 -1.00 -0.69 0.00 0.00 174.62 174.16 1vh9 s HIS 89 N 1.16 3.02 -0.06 4.92 3.76 -1.26 -2.28 115.29 124.54 1vh9 s HIS 89 Ca 0.01 -0.32 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 1vh9 s HIS 89 Cb -0.14 -3.53 -0.30 0.00 1.11 0.00 0.00 32.58 29.72 1vh9 s HIS 89 CO -0.09 -1.02 0.65 0.45 -0.85 0.00 0.00 174.74 173.88 1vh9 h HIS 90 N 8.99 0.64 -3.51 1.40 3.86 -1.45 -3.49 115.15 121.59 1vh9 h HIS 90 Ca -0.27 -0.47 -0.15 0.00 -1.16 0.00 0.00 60.37 58.33 1vh9 h HIS 90 Cb 1.09 -0.03 -0.21 0.00 1.06 0.00 0.00 27.41 29.32 1vh9 h HIS 90 CO 0.76 1.63 -0.51 0.50 0.86 0.00 0.00 177.93 181.18 1vh9 s ARG 91 N -2.54 0.44 0.43 2.45 3.52 -1.09 -5.06 118.95 117.10 1vh9 s ARG 91 Ca -0.17 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 54.97 1vh9 s ARG 91 Cb 0.05 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.55 1vh9 s ARG 91 CO 0.83 -0.10 0.84 -1.25 -0.81 0.00 0.00 175.30 174.81 1vh9 s PRO 92 N -1.19 3.88 -0.00 5.12 0.04 -1.26 -4.81 135.00 136.77 1vh9 s PRO 92 Ca -0.13 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 1vh9 s PRO 92 Cb -0.07 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 1vh9 s PRO 92 CO 0.01 -0.09 0.05 0.08 0.04 0.00 0.00 177.00 177.09 1vh9 s VAL 93 N -2.40 0.05 0.00 -0.36 1.01 -1.26 -5.06 120.40 112.38 1vh9 s VAL 93 Ca 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1vh9 s VAL 93 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1vh9 s VAL 93 CO 0.29 -0.25 0.00 -1.54 0.00 0.00 0.00 175.10 173.60 1vh9 n SER 94 N 2.23 0.94 -3.99 3.32 3.41 -1.26 -0.88 113.62 117.40 1vh9 n SER 94 Ca -0.18 -0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.23 1vh9 n SER 94 Cb 0.57 0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.84 1vh9 n SER 94 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1vh9 s GLU 95 N -0.57 1.40 3.16 4.33 -1.05 -1.26 -4.78 118.70 119.92 1vh9 s GLU 95 Ca 0.00 -1.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 1vh9 s GLU 95 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1vh9 s GLU 95 CO 0.00 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.06 1vh9 n GLY 96 N -0.32 0.54 3.16 -3.83 0.00 -1.26 -4.83 105.19 98.65 1vh9 n GLY 96 Ca -0.03 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1vh9 n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vh9 s LYS 97 N 0.00 0.76 0.28 1.61 -2.85 -1.26 -0.72 119.74 117.56 1vh9 s LYS 97 Ca 0.00 -1.05 0.11 0.00 -1.00 0.00 0.00 55.97 54.03 1vh9 s LYS 97 Cb 0.00 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1vh9 s LYS 97 CO 0.00 -0.21 -0.14 0.14 0.10 0.00 0.00 175.35 175.24 1vh9 s VAL 98 N -3.88 2.79 -0.10 1.79 -7.23 -0.37 -3.96 120.40 109.44 1vh9 s VAL 98 Ca 0.06 -2.25 0.01 0.00 -1.81 0.00 0.00 61.98 57.99 1vh9 s VAL 98 Cb 0.06 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1vh9 s VAL 98 CO -0.11 -0.39 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.57 1vh9 s ARG 99 N -3.56 1.90 -0.15 4.82 3.52 -0.57 -1.73 118.95 123.18 1vh9 s ARG 99 Ca 0.30 -0.44 -0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1vh9 s ARG 99 Cb -0.05 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.60 1vh9 s ARG 99 CO 0.17 -0.11 0.08 0.20 -0.81 0.00 0.00 175.30 174.83 1vh9 s GLY 100 N 1.13 1.98 -0.20 8.12 0.00 -0.36 -0.64 107.32 117.34 1vh9 s GLY 100 Ca -0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 1vh9 s GLY 100 CO -0.03 -0.16 -0.14 0.14 0.00 0.00 0.00 173.10 172.91 1vh9 s VAL 101 N -0.22 2.46 -0.20 1.40 1.01 0.25 -2.53 120.40 122.57 1vh9 s VAL 101 Ca 0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1vh9 s VAL 101 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1vh9 s VAL 101 CO 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1vh9 s GLN 103 N 1.08 0.62 0.47 0.00 -0.21 -0.64 -2.23 119.66 118.75 1vh9 s GLN 103 Ca 0.02 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.31 1vh9 s GLN 103 Cb -0.14 -0.36 -0.08 0.00 1.00 0.00 0.00 33.01 33.42 1vh9 s GLN 103 CO 0.01 0.06 1.09 -1.25 -2.12 0.00 0.00 175.29 173.08 1vh9 s PRO 104 N -1.93 3.78 -0.03 2.91 0.04 -1.26 -0.85 135.00 137.66 1vh9 s PRO 104 Ca -0.06 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1vh9 s PRO 104 Cb -0.08 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1vh9 s PRO 104 CO 0.00 -0.48 -0.02 1.28 0.04 0.00 0.00 177.00 177.82 1vh9 n LEU 105 N -0.74 2.17 -3.69 -3.56 4.77 -0.11 -4.82 117.00 111.03 1vh9 n LEU 105 Ca 0.08 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1vh9 n LEU 105 Cb 0.51 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1vh9 n LEU 105 CO 0.43 0.42 0.02 -2.28 -1.33 0.00 0.00 177.39 174.65 1vh9 s HIS 106 N -2.07 -0.61 -0.32 -1.77 5.04 -1.08 -4.97 115.29 109.51 1vh9 s HIS 106 Ca -0.04 1.28 0.02 0.00 -1.54 0.00 0.00 55.06 54.78 1vh9 s HIS 106 Cb 0.01 0.24 0.08 0.00 0.04 0.00 0.00 32.58 32.95 1vh9 s HIS 106 CO 0.09 -0.37 0.01 -0.51 -2.34 0.00 0.00 174.74 171.62 1vh9 s LEU 107 N 1.75 4.26 0.18 8.88 1.43 -1.26 -1.00 118.68 132.92 1vh9 s LEU 107 Ca -0.07 -1.77 0.08 0.00 -1.03 0.00 0.00 54.13 51.34 1vh9 s LEU 107 Cb -0.10 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1vh9 s LEU 107 CO -0.12 -0.32 -0.04 -0.83 0.23 0.00 0.00 176.35 175.27 1vh9 s GLY 108 N 1.12 1.73 0.56 -3.19 0.00 0.12 -5.00 107.32 102.66 1vh9 s GLY 108 Ca 0.02 -1.42 0.28 0.00 0.00 0.00 0.00 44.72 43.60 1vh9 s GLY 108 CO -0.06 -1.44 2.19 0.07 0.00 0.00 0.00 173.10 173.87 1vh9 h ARG 109 N 2.75 0.00 0.00 2.90 -0.00 -2.01 -3.19 114.38 114.82 1vh9 h ARG 109 Ca -0.47 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.33 1vh9 h ARG 109 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.14 1vh9 h ARG 109 CO 0.57 0.04 -1.69 1.04 -0.00 0.00 0.00 179.97 179.93 1vh9 n GLN 110 N -3.86 1.62 -4.47 0.08 1.13 -1.26 -4.86 117.38 105.75 1vh9 n GLN 110 Ca -0.03 0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1vh9 n GLN 110 Cb 0.13 -1.25 -0.10 0.00 0.11 0.00 0.00 30.24 29.12 1vh9 n GLN 110 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1vh9 s ASN 111 N -4.59 2.48 0.03 1.08 0.02 -1.21 -2.47 114.94 110.28 1vh9 s ASN 111 Ca -0.09 -1.41 -0.19 0.00 -1.02 0.00 0.00 52.86 50.15 1vh9 s ASN 111 Cb 0.03 -0.03 0.04 0.00 0.02 0.00 0.00 41.25 41.31 1vh9 s ASN 111 CO 0.36 -0.64 0.43 -1.10 0.02 0.00 0.00 177.10 176.17 1vh9 s GLN 112 N -3.87 0.92 -0.04 -0.60 -0.21 -0.74 0.16 119.66 115.27 1vh9 s GLN 112 Ca 0.35 -0.31 -0.00 0.00 0.02 0.00 0.00 55.36 55.42 1vh9 s GLN 112 Cb 0.08 0.41 0.03 0.00 1.00 0.00 0.00 33.01 34.53 1vh9 s GLN 112 CO 0.15 -0.31 0.01 0.45 -2.12 0.00 0.00 175.29 173.47 1vh9 s SER 113 N -1.90 0.81 0.02 5.90 0.15 -0.17 -1.49 113.70 117.02 1vh9 s SER 113 Ca -0.06 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1vh9 s SER 113 Cb -0.01 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 1vh9 s SER 113 CO -0.01 -0.14 -0.25 0.26 1.20 0.00 0.00 173.24 174.30 1vh9 s TRP 114 N 1.38 2.36 -0.15 3.44 0.52 -0.17 -0.93 118.94 125.40 1vh9 s TRP 114 Ca -0.05 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.60 1vh9 s TRP 114 Cb -0.13 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1vh9 s TRP 114 CO -0.03 0.08 0.13 -2.00 0.02 0.00 0.00 176.95 175.16 1vh9 s GLU 115 N -1.02 3.68 -0.11 4.98 2.12 -0.03 -1.18 118.70 127.15 1vh9 s GLU 115 Ca 0.11 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 1vh9 s GLU 115 Cb -0.10 -3.25 0.04 0.00 0.26 0.00 0.00 34.13 31.08 1vh9 s GLU 115 CO 0.01 0.61 0.02 0.42 -0.54 0.00 0.00 175.26 175.78 1vh9 s ILE 116 N -0.54 0.35 -0.10 -3.70 1.09 -0.56 -1.62 121.20 116.13 1vh9 s ILE 116 Ca 0.12 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 1vh9 s ILE 116 Cb -0.12 -0.63 -0.02 0.00 -1.06 0.00 0.00 42.46 40.63 1vh9 s ILE 116 CO 0.02 0.10 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.18 1vh9 s VAL 117 N 1.97 3.46 -0.17 2.92 1.01 -0.81 -0.62 120.40 128.15 1vh9 s VAL 117 Ca 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1vh9 s VAL 117 Cb -0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1vh9 s VAL 117 CO -0.06 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 1vh9 s VAL 118 N -0.25 3.26 0.10 2.92 1.01 -0.40 -0.58 120.40 126.47 1vh9 s VAL 118 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1vh9 s VAL 118 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1vh9 s VAL 118 CO 0.03 0.48 -0.08 -0.36 0.00 0.00 0.00 175.10 175.17 1vh9 s PHE 119 N 0.87 2.79 0.76 5.22 0.40 0.18 -0.92 117.98 127.29 1vh9 s PHE 119 Ca -0.02 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1vh9 s PHE 119 Cb -0.15 -1.45 0.17 0.00 0.51 0.00 0.00 43.02 42.10 1vh9 s PHE 119 CO 0.01 0.44 1.03 -0.40 0.70 0.00 0.00 175.22 177.00 1vh9 n ASP 120 N 0.66 0.47 0.29 1.36 3.85 -0.27 -1.51 116.55 121.41 1vh9 n ASP 120 Ca -0.13 -1.62 0.16 0.00 -0.71 0.00 0.00 54.79 52.50 1vh9 n ASP 120 Cb 0.52 -0.75 0.87 0.00 -1.35 0.00 0.00 41.12 40.41 1vh9 n ASP 120 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1vh9 h GLU 121 N 0.00 0.00 -0.08 0.11 5.08 -1.90 -2.00 114.58 115.79 1vh9 h GLU 121 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1vh9 h GLU 121 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1vh9 h GLU 121 CO 0.28 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.38 1vh9 n GLN 122 N -3.44 1.36 -0.97 2.33 6.02 -1.26 -4.88 117.38 116.53 1vh9 n GLN 122 Ca -0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1vh9 n GLN 122 Cb 0.18 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1vh9 n GLN 122 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vh9 n GLY 123 N 0.95 0.48 3.77 1.08 0.00 -0.75 -5.03 105.19 105.71 1vh9 n GLY 123 Ca 0.15 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1vh9 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vh9 s ARG 124 N -0.53 4.20 -0.01 1.61 0.52 -1.26 -4.83 118.95 118.64 1vh9 s ARG 124 Ca 0.00 0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 1vh9 s ARG 124 Cb 0.00 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 1vh9 s ARG 124 CO 0.00 0.42 1.65 0.50 0.02 0.00 0.00 175.30 177.89 1vh9 s ARG 125 N -0.26 4.19 -0.07 3.54 3.52 -1.26 -1.11 118.95 127.50 1vh9 s ARG 125 Ca 0.27 2.23 0.11 0.00 -0.13 0.00 0.00 55.73 58.21 1vh9 s ARG 125 Cb -0.17 -3.85 -0.16 0.00 -1.56 0.00 0.00 34.95 29.21 1vh9 s ARG 125 CO 0.14 -0.80 0.13 0.00 -0.81 0.00 0.00 175.30 173.95 1vh9 s THR 128 N 0.12 1.91 0.21 0.00 2.01 -0.97 -1.27 115.64 117.66 1vh9 s THR 128 Ca -0.01 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1vh9 s THR 128 Cb -0.03 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1vh9 s THR 128 CO 0.01 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.43 1vh9 s ARG 130 N -3.81 0.18 -0.10 0.00 3.52 -1.03 -1.49 118.95 116.22 1vh9 s ARG 130 Ca 0.25 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.32 1vh9 s ARG 130 Cb 0.04 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1vh9 s ARG 130 CO 0.07 -0.14 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.09 1vh9 s LEU 131 N 1.08 1.71 -0.03 -0.88 2.96 -0.33 -2.43 118.68 120.77 1vh9 s LEU 131 Ca -0.08 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1vh9 s LEU 131 Cb -0.09 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 1vh9 s LEU 131 CO -0.07 0.02 0.33 -0.83 -1.32 0.00 0.00 176.35 174.48 1vh9 s GLY 132 N 0.94 2.37 0.05 7.98 0.00 0.83 -0.99 107.32 118.50 1vh9 s GLY 132 Ca -0.08 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1vh9 s GLY 132 CO -0.01 -0.04 -0.11 -0.51 0.00 0.00 0.00 173.10 172.43 1vh9 s THR 133 N -1.10 0.80 -0.10 0.90 -4.23 -0.55 -1.47 115.64 109.89 1vh9 s THR 133 Ca 0.22 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1vh9 s THR 133 Cb -0.15 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 1vh9 s THR 133 CO 0.11 -0.23 -0.04 0.00 -0.54 0.00 0.00 174.62 173.92 1vh9 s ALA 134 N -1.16 3.06 -0.25 3.99 0.00 0.39 -1.79 121.76 126.00 1vh9 s ALA 134 Ca -0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1vh9 s ALA 134 Cb -0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1vh9 s ALA 134 CO 0.01 0.46 0.15 0.14 0.00 0.00 0.00 175.76 176.52 1vh9 s VAL 135 N -0.45 5.15 0.00 0.00 -7.23 -1.03 -0.42 120.40 116.42 1vh9 s VAL 135 Ca 0.07 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1vh9 s VAL 135 Cb -0.12 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1vh9 s VAL 135 CO 0.02 0.33 0.00 0.18 -0.31 0.00 0.00 175.10 175.32 1vh9 n LEU 136 N 4.54 0.00 0.00 1.32 4.77 0.38 -4.89 117.00 123.12 1vh9 n LEU 136 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1vh9 n LEU 136 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1vh9 n LEU 136 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01