#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vln s ASP 2 N 0.00 5.64 -0.22 0.00 1.01 -1.26 -5.08 116.67 116.76 1vln s ASP 2 Ca 0.00 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1vln s ASP 2 Cb 0.00 -0.81 0.04 0.00 1.01 0.00 0.00 42.92 43.17 1vln s ASP 2 CO 0.00 -0.78 -0.15 0.42 0.21 0.00 0.00 175.17 174.88 1vln s THR 3 N -2.40 2.08 0.01 -1.27 -4.23 -1.26 -5.03 115.64 103.53 1vln s THR 3 Ca 0.54 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1vln s THR 3 Cb -0.10 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1vln s THR 3 CO 0.34 0.22 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.87 1vln s ILE 4 N 1.20 3.15 -0.13 2.99 -1.09 -1.26 -3.52 121.20 122.54 1vln s ILE 4 Ca -0.03 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1vln s ILE 4 Cb -0.17 -2.32 0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1vln s ILE 4 CO -0.08 0.42 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.33 1vln s VAL 5 N -0.90 0.71 0.12 2.92 1.01 -0.76 -1.82 120.40 121.66 1vln s VAL 5 Ca 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1vln s VAL 5 Cb -0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1vln s VAL 5 CO 0.05 0.13 -0.06 0.00 0.00 0.00 0.00 175.10 175.23 1vln s ALA 6 N 1.81 1.08 -0.39 5.51 0.00 -0.21 -1.47 121.76 128.10 1vln s ALA 6 Ca 0.02 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.61 1vln s ALA 6 Cb -0.14 0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.31 1vln s ALA 6 CO -0.07 -0.24 0.13 0.08 0.00 0.00 0.00 175.76 175.66 1vln s VAL 7 N -3.61 2.05 0.29 0.00 1.01 -0.70 -0.04 120.40 119.39 1vln s VAL 7 Ca 0.14 -2.46 -0.23 0.00 0.00 0.00 0.00 61.98 59.44 1vln s VAL 7 Cb 0.05 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 1vln s VAL 7 CO -0.03 -0.69 0.85 -1.83 0.00 0.00 0.00 175.10 173.40 1vln s GLU 8 N 0.67 4.41 -0.66 2.72 -1.05 -0.31 -2.36 118.70 122.11 1vln s GLU 8 Ca 0.13 1.11 0.03 0.00 -0.15 0.00 0.00 54.97 56.09 1vln s GLU 8 Cb -0.21 -2.78 0.16 0.00 -0.44 0.00 0.00 34.13 30.86 1vln s GLU 8 CO -0.08 0.30 0.45 -0.51 0.95 0.00 0.00 175.26 176.37 1vln s LEU 9 N -2.13 4.78 -0.44 1.83 1.02 0.12 -1.38 118.68 122.49 1vln s LEU 9 Ca 0.48 -3.49 -0.26 0.00 0.02 0.00 0.00 54.13 50.88 1vln s LEU 9 Cb -0.17 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.38 1vln s LEU 9 CO 0.22 -0.17 0.97 -0.62 0.02 0.00 0.00 176.35 176.78 1vln s ASP 10 N -0.75 6.57 0.22 2.29 -1.08 -0.42 -1.29 116.67 122.22 1vln s ASP 10 Ca 0.22 0.31 0.20 0.00 -0.52 0.00 0.00 52.55 52.75 1vln s ASP 10 Cb -0.13 -2.48 0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1vln s ASP 10 CO -0.10 -1.05 1.17 0.71 0.52 0.00 0.00 175.17 176.42 1vln h THR 11 N 6.06 0.29 -3.29 1.71 1.35 -1.63 -1.73 112.91 115.67 1vln h THR 11 Ca -0.24 -1.49 -0.67 0.00 -0.55 0.00 0.00 66.41 63.47 1vln h THR 11 Cb 1.07 1.91 -0.31 0.00 -1.73 0.00 0.00 68.15 69.09 1vln h THR 11 CO 1.04 0.17 -0.83 -0.47 -0.25 0.00 0.00 175.52 175.17 1vln s TYR 12 N -3.14 2.70 -0.46 4.73 5.04 -1.24 -4.55 117.35 120.42 1vln s TYR 12 Ca 0.01 -1.03 -0.29 0.00 -2.44 0.00 0.00 57.07 53.32 1vln s TYR 12 Cb 0.08 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.60 1vln s TYR 12 CO 0.76 -0.44 1.25 -2.14 -1.34 0.00 0.00 175.55 173.65 1vln s PRO 13 N 0.60 3.64 -0.98 4.97 0.02 -1.26 -4.96 135.00 137.03 1vln s PRO 13 Ca -0.11 0.68 -0.03 0.00 0.02 0.00 0.00 61.00 61.57 1vln s PRO 13 Cb -0.16 -3.97 0.27 0.00 0.02 0.00 0.00 34.50 30.67 1vln s PRO 13 CO 0.03 -1.49 1.14 0.09 -0.33 0.00 0.00 177.00 176.44 1vln n ASN 14 N 8.31 5.33 0.19 2.53 4.13 -1.26 -4.86 115.26 129.64 1vln n ASN 14 Ca 0.14 -3.28 0.16 0.00 1.68 0.00 0.00 54.58 53.27 1vln n ASN 14 Cb 0.49 -1.15 0.79 0.00 -1.54 0.00 0.00 39.78 38.36 1vln n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1vln h THR 15 N 3.57 0.61 0.00 3.41 1.35 -1.83 -1.46 112.91 118.56 1vln h THR 15 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1vln h THR 15 Cb 0.72 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1vln h THR 15 CO 1.09 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.12 1vln h ASP 16 N 0.00 0.00 0.00 5.36 2.03 -1.89 -2.70 116.42 119.23 1vln h ASP 16 Ca 0.09 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.34 1vln h ASP 16 Cb 0.42 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.83 1vln h ASP 16 CO -0.00 0.00 -0.50 2.30 -1.03 0.00 0.00 179.24 180.01 1vln n ILE 17 N -2.34 0.84 0.00 4.15 -5.35 -0.58 -5.02 119.36 111.07 1vln n ILE 17 Ca -0.01 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 1vln n ILE 17 Cb 0.06 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1vln n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vln n GLY 18 N -0.43 0.24 3.77 3.28 0.00 -1.02 -4.75 105.19 106.28 1vln n GLY 18 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1vln n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vln s ASP 19 N -2.13 6.37 1.07 1.61 1.11 -1.04 -4.93 116.67 118.72 1vln s ASP 19 Ca 0.00 2.50 -0.14 0.00 0.18 0.00 0.00 52.55 55.08 1vln s ASP 19 Cb 0.00 -2.63 0.22 0.00 1.07 0.00 0.00 42.92 41.59 1vln s ASP 19 CO 0.00 -0.79 1.09 -2.16 1.18 0.00 0.00 175.17 174.49 1vln s PRO 20 N -2.30 -0.11 -0.12 8.23 0.04 -1.26 -3.94 135.00 135.53 1vln s PRO 20 Ca 0.58 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1vln s PRO 20 Cb -0.34 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1vln s PRO 20 CO 0.43 -3.06 1.62 -1.13 0.04 0.00 0.00 177.00 174.90 1vln n SER 21 N -4.38 4.57 -3.62 6.66 3.41 -1.26 -4.53 113.62 114.48 1vln n SER 21 Ca 0.07 -2.53 -0.10 0.00 -0.26 0.00 0.00 58.87 56.05 1vln n SER 21 Cb 0.58 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vln s TYR 22 N -0.77 -0.37 0.56 7.33 -0.85 -1.26 -4.96 117.35 117.03 1vln s TYR 22 Ca 0.13 0.06 -0.21 0.00 -0.52 0.00 0.00 57.07 56.53 1vln s TYR 22 Cb 0.11 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 1vln s TYR 22 CO 0.01 -1.00 1.35 -2.14 -1.52 0.00 0.00 175.55 172.25 1vln s PRO 23 N -3.78 3.05 0.31 -3.49 0.02 -1.26 -4.60 135.00 125.25 1vln s PRO 23 Ca 0.06 2.21 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 1vln s PRO 23 Cb -0.03 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1vln s PRO 23 CO -0.04 -1.25 0.63 -3.38 -0.33 0.00 0.00 177.00 172.63 1vln s HIS 24 N -1.32 0.27 0.07 6.54 -3.43 -0.65 -1.21 115.29 115.57 1vln s HIS 24 Ca 0.73 -0.72 0.10 0.00 -0.80 0.00 0.00 55.06 54.36 1vln s HIS 24 Cb -0.40 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1vln s HIS 24 CO 0.47 -1.24 -0.26 0.96 -2.00 0.00 0.00 174.74 172.67 1vln s ILE 25 N -3.36 2.11 0.20 -5.38 -4.36 -0.38 -1.30 121.20 108.73 1vln s ILE 25 Ca 0.19 -1.48 -0.19 0.00 -0.26 0.00 0.00 60.65 58.90 1vln s ILE 25 Cb -0.03 -1.83 0.04 0.00 1.25 0.00 0.00 42.46 41.89 1vln s ILE 25 CO 0.11 0.26 0.57 -0.83 0.24 0.00 0.00 174.94 175.29 1vln s GLY 26 N -1.49 -0.23 -0.21 6.27 0.00 -0.48 -1.04 107.32 110.14 1vln s GLY 26 Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.71 1vln s GLY 26 CO 0.03 -0.13 0.06 -0.42 0.00 0.00 0.00 173.10 172.65 1vln s ILE 27 N -3.85 4.53 -0.18 0.90 -1.09 -1.04 -1.16 121.20 119.31 1vln s ILE 27 Ca 0.07 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1vln s ILE 27 Cb -0.02 -3.08 -0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1vln s ILE 27 CO -0.04 0.40 -0.12 -1.81 -1.23 0.00 0.00 174.94 172.13 1vln s ASP 28 N 1.00 3.82 -0.37 3.58 1.01 0.94 -1.11 116.67 125.53 1vln s ASP 28 Ca 0.04 -0.46 -0.00 0.00 0.71 0.00 0.00 52.55 52.84 1vln s ASP 28 Cb -0.14 -1.61 0.10 0.00 1.01 0.00 0.00 42.92 42.28 1vln s ASP 28 CO 0.03 0.05 0.13 -0.63 0.21 0.00 0.00 175.17 174.96 1vln s ILE 29 N 1.04 2.92 -0.36 0.77 -1.09 -1.26 -1.04 121.20 122.17 1vln s ILE 29 Ca -0.01 -2.08 0.00 0.00 -2.23 0.00 0.00 60.65 56.34 1vln s ILE 29 Cb -0.15 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1vln s ILE 29 CO -0.03 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.38 1vln n LYS 30 N 4.49 -1.82 -3.61 2.79 5.02 -0.76 -4.90 118.16 119.37 1vln n LYS 30 Ca -0.02 0.60 -0.14 0.00 -2.02 0.00 0.00 58.31 56.74 1vln n LYS 30 Cb 0.42 -5.02 -0.06 0.00 -0.02 0.00 0.00 35.03 30.35 1vln n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vln s SER 31 N -2.13 -0.39 0.43 4.39 0.15 -1.26 -4.96 113.70 109.92 1vln s SER 31 Ca 0.00 0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.04 1vln s SER 31 Cb 0.00 0.47 0.55 0.00 -1.71 0.00 0.00 66.02 65.33 1vln s SER 31 CO 0.00 -0.68 1.68 1.62 1.20 0.00 0.00 173.24 177.05 1vln h VAL 32 N 2.92 0.22 -2.42 4.45 3.04 -1.86 -3.41 116.25 119.20 1vln h VAL 32 Ca -0.31 -1.15 -0.58 0.00 -1.01 0.00 0.00 66.70 63.65 1vln h VAL 32 Cb 1.20 1.96 -0.11 0.00 -2.01 0.00 0.00 31.29 32.33 1vln h VAL 32 CO 0.42 0.12 0.87 -0.13 -1.01 0.00 0.00 177.57 177.83 1vln s ARG 33 N -3.30 3.19 0.38 4.17 0.52 -1.26 -4.99 118.95 117.66 1vln s ARG 33 Ca 0.05 -0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 54.44 1vln s ARG 33 Cb 0.07 -4.28 -0.13 0.00 0.52 0.00 0.00 34.95 31.13 1vln s ARG 33 CO 0.66 -2.01 0.74 0.43 0.02 0.00 0.00 175.30 175.14 1vln n SER 34 N 8.59 0.01 0.14 0.23 7.64 -1.26 -4.81 113.62 124.16 1vln n SER 34 Ca 0.02 1.00 0.06 0.00 1.01 0.00 0.00 58.87 60.97 1vln n SER 34 Cb 0.48 -1.19 0.05 0.00 -1.01 0.00 0.00 64.21 62.53 1vln n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1vln h LYS 35 N 1.20 0.00 -2.63 1.43 1.79 -1.48 -3.46 116.57 113.42 1vln h LYS 35 Ca -0.40 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.00 1vln h LYS 35 Cb 1.38 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.86 1vln h LYS 35 CO 0.55 0.27 0.04 0.21 -1.08 0.00 0.00 179.45 179.44 1vln s LYS 36 N -3.07 1.00 0.13 3.15 2.47 -1.25 -5.02 119.74 117.14 1vln s LYS 36 Ca 0.03 -0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 54.20 1vln s LYS 36 Cb 0.07 0.46 0.01 0.00 -1.46 0.00 0.00 37.83 36.91 1vln s LYS 36 CO 0.74 -0.35 0.31 0.95 0.16 0.00 0.00 175.35 177.17 1vln s THR 37 N -2.06 0.09 -0.03 3.43 -4.23 -1.26 -2.50 115.64 109.07 1vln s THR 37 Ca -0.07 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.39 1vln s THR 37 Cb -0.01 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.41 1vln s THR 37 CO 0.01 -0.41 0.13 0.00 -0.54 0.00 0.00 174.62 173.82 1vln s ALA 38 N -3.87 -0.32 0.20 3.99 0.00 -0.21 -4.97 121.76 116.58 1vln s ALA 38 Ca 0.08 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 1vln s ALA 38 Cb 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 1vln s ALA 38 CO -0.08 -0.13 1.50 0.21 0.00 0.00 0.00 175.76 177.26 1vln s LYS 39 N -0.59 4.24 -0.22 0.00 2.20 -1.26 -1.24 119.74 122.86 1vln s LYS 39 Ca -0.07 2.33 -0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1vln s LYS 39 Cb -0.04 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1vln s LYS 39 CO 0.01 -0.52 -0.11 -0.46 -0.36 0.00 0.00 175.35 173.91 1vln s TRP 40 N 0.59 2.98 -1.35 4.03 -0.00 -0.35 -4.81 118.94 120.03 1vln s TRP 40 Ca 0.65 -1.58 -0.09 0.00 -0.00 0.00 0.00 56.10 55.07 1vln s TRP 40 Cb -0.43 -2.01 0.12 0.00 -0.00 0.00 0.00 33.47 31.15 1vln s TRP 40 CO 0.37 -0.75 2.13 0.09 -0.00 0.00 0.00 176.95 178.79 1vln n ASN 41 N 4.65 5.82 -4.59 5.86 3.02 -1.26 -4.52 115.26 124.24 1vln n ASN 41 Ca -0.18 -3.03 -0.38 0.00 -0.03 0.00 0.00 54.58 50.96 1vln n ASN 41 Cb 0.48 -1.49 0.05 0.00 -0.61 0.00 0.00 39.78 38.21 1vln n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1vln n MET 42 N 3.72 0.86 -3.93 3.52 0.00 -1.26 -5.00 117.12 115.03 1vln n MET 42 Ca 0.50 0.33 -0.31 0.00 -0.00 0.00 0.00 57.70 58.22 1vln n MET 42 Cb 0.33 -2.06 -0.15 0.00 0.00 0.00 0.00 33.22 31.34 1vln n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1vln s GLN 43 N -2.55 1.45 0.19 2.12 -0.21 -1.26 -5.10 119.66 114.30 1vln s GLN 43 Ca 0.73 -1.26 -0.33 0.00 0.02 0.00 0.00 55.36 54.52 1vln s GLN 43 Cb -0.44 -2.66 -0.14 0.00 1.00 0.00 0.00 33.01 30.78 1vln s GLN 43 CO 0.49 -0.76 1.56 -1.71 -2.12 0.00 0.00 175.29 172.75 1vln n ASN 44 N 4.58 3.14 0.00 5.90 5.15 -1.26 -2.03 115.26 130.73 1vln n ASN 44 Ca -0.06 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1vln n ASN 44 Cb 0.43 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 1vln n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vln n GLY 45 N 3.15 1.21 3.63 8.20 0.00 -0.70 -5.00 105.19 115.68 1vln n GLY 45 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1vln n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vln s LYS 46 N -0.05 2.80 0.09 1.61 -0.14 -0.86 -4.98 119.74 118.21 1vln s LYS 46 Ca 0.00 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.77 1vln s LYS 46 Cb 0.00 -2.66 -0.06 0.00 -1.68 0.00 0.00 37.83 33.44 1vln s LYS 46 CO 0.00 0.66 1.10 0.08 -0.76 0.00 0.00 175.35 176.44 1vln s VAL 47 N -0.90 4.19 0.49 3.17 1.01 -1.26 -4.44 120.40 122.66 1vln s VAL 47 Ca 0.14 1.68 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1vln s VAL 47 Cb -0.11 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1vln s VAL 47 CO 0.04 0.19 0.02 -0.83 0.00 0.00 0.00 175.10 174.52 1vln s GLY 48 N 0.59 2.95 0.01 4.51 0.00 -0.62 -4.63 107.32 110.12 1vln s GLY 48 Ca 0.53 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1vln s GLY 48 CO 0.31 -2.14 -0.03 -1.59 0.00 0.00 0.00 173.10 169.65 1vln s THR 49 N -2.92 0.23 -0.09 0.90 2.01 -0.79 -1.72 115.64 113.26 1vln s THR 49 Ca 0.09 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1vln s THR 49 Cb 0.02 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1vln s THR 49 CO 0.05 -0.05 -0.20 0.00 -0.69 0.00 0.00 174.62 173.73 1vln s ALA 50 N -0.35 1.89 -0.19 7.40 0.00 -0.01 -2.05 121.76 128.44 1vln s ALA 50 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1vln s ALA 50 Cb -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1vln s ALA 50 CO -0.00 0.24 -0.14 -1.58 0.00 0.00 0.00 175.76 174.28 1vln s HIS 51 N 0.44 2.59 -0.08 0.00 2.46 0.22 -2.09 115.29 118.84 1vln s HIS 51 Ca -0.18 -1.65 0.02 0.00 0.47 0.00 0.00 55.06 53.73 1vln s HIS 51 Cb -0.17 -1.75 -0.02 0.00 -0.13 0.00 0.00 32.58 30.50 1vln s HIS 51 CO 0.07 -0.77 -0.13 0.42 -2.47 0.00 0.00 174.74 171.86 1vln s ILE 52 N 1.34 3.10 0.07 0.89 1.09 -0.60 -0.67 121.20 126.42 1vln s ILE 52 Ca 0.01 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.88 1vln s ILE 52 Cb -0.15 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.97 1vln s ILE 52 CO -0.10 0.57 -0.07 0.27 -0.10 0.00 0.00 174.94 175.52 1vln s ILE 53 N -0.40 0.59 -0.26 2.92 -4.36 0.06 -0.91 121.20 118.85 1vln s ILE 53 Ca 0.05 -1.60 -0.25 0.00 -0.26 0.00 0.00 60.65 58.58 1vln s ILE 53 Cb -0.12 -1.26 0.08 0.00 1.25 0.00 0.00 42.46 42.41 1vln s ILE 53 CO 0.02 -0.70 0.80 -0.47 0.24 0.00 0.00 174.94 174.83 1vln s TYR 54 N -2.81 -0.70 0.00 1.37 5.04 -0.85 -2.12 117.35 117.28 1vln s TYR 54 Ca 0.03 1.69 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1vln s TYR 54 Cb -0.00 0.30 -0.00 0.00 0.35 0.00 0.00 41.96 42.60 1vln s TYR 54 CO -0.03 -0.35 0.06 0.54 -1.34 0.00 0.00 175.55 174.43 1vln s ASN 55 N 0.27 0.08 0.00 4.32 2.20 -1.26 -1.03 114.94 119.52 1vln s ASN 55 Ca 0.00 -0.21 0.21 0.00 -0.94 0.00 0.00 52.86 51.92 1vln s ASN 55 Cb -0.05 0.15 1.09 0.00 -2.00 0.00 0.00 41.25 40.44 1vln s ASN 55 CO -0.01 -0.25 1.67 -1.54 -2.94 0.00 0.00 177.10 174.03 1vln n SER 56 N 1.96 0.00 -0.07 3.54 3.41 0.10 -0.72 113.62 121.84 1vln n SER 56 Ca -0.20 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.22 1vln n SER 56 Cb 0.56 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1vln n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1vln h VAL 57 N 0.00 0.61 0.04 -3.33 2.07 -1.92 -3.39 116.25 110.34 1vln h VAL 57 Ca 0.00 -1.54 -0.22 0.00 0.82 0.00 0.00 66.70 65.76 1vln h VAL 57 Cb 0.17 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1vln h VAL 57 CO 0.00 0.21 -1.04 0.44 0.02 0.00 0.00 177.57 177.20 1vln h ASP 58 N -1.00 0.16 -5.36 0.57 3.32 -1.98 -3.48 116.42 108.65 1vln h ASP 58 Ca -0.06 -0.16 -0.35 0.00 0.02 0.00 0.00 57.03 56.48 1vln h ASP 58 Cb 0.58 -0.05 0.13 0.00 0.22 0.00 0.00 39.33 40.21 1vln h ASP 58 CO -0.04 1.09 -0.63 0.29 -1.72 0.00 0.00 179.24 178.24 1vln n LYS 59 N -3.46 -7.01 -4.13 3.56 4.76 0.10 -4.92 118.16 107.06 1vln n LYS 59 Ca -0.03 0.75 -0.29 0.00 -2.87 0.00 0.00 58.31 55.87 1vln n LYS 59 Cb 0.93 -5.56 -0.17 0.00 -1.84 0.00 0.00 35.03 28.40 1vln n LYS 59 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1vln s ARG 60 N -6.02 2.23 -0.50 1.97 0.52 -1.26 -1.04 118.95 114.85 1vln s ARG 60 Ca 0.44 -0.54 -0.24 0.00 -0.52 0.00 0.00 55.73 54.87 1vln s ARG 60 Cb -0.19 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.29 1vln s ARG 60 CO 0.66 -0.19 0.89 -1.17 0.02 0.00 0.00 175.30 175.51 1vln s LEU 61 N 1.37 4.14 0.10 2.53 2.96 0.07 -4.46 118.68 125.38 1vln s LEU 61 Ca 0.02 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1vln s LEU 61 Cb -0.13 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1vln s LEU 61 CO -0.08 -1.09 -0.14 -0.44 -1.32 0.00 0.00 176.35 173.28 1vln s SER 62 N 2.50 4.17 -0.02 3.68 0.01 -0.90 -1.81 113.70 121.33 1vln s SER 62 Ca 0.32 -0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.07 1vln s SER 62 Cb -0.12 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1vln s SER 62 CO 0.22 0.19 0.13 0.00 0.41 0.00 0.00 173.24 174.19 1vln s ALA 63 N -1.16 -0.32 -0.03 1.44 0.00 -0.35 -0.76 121.76 120.59 1vln s ALA 63 Ca 0.19 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1vln s ALA 63 Cb -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1vln s ALA 63 CO 0.12 -0.16 -0.07 0.08 0.00 0.00 0.00 175.76 175.73 1vln s VAL 64 N -0.87 0.64 -0.05 0.00 1.01 0.15 -1.81 120.40 119.47 1vln s VAL 64 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1vln s VAL 64 Cb -0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1vln s VAL 64 CO 0.01 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 1vln s VAL 65 N 0.38 1.42 0.22 2.92 1.01 -0.33 -0.61 120.40 125.41 1vln s VAL 65 Ca -0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1vln s VAL 65 Cb -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1vln s VAL 65 CO 0.00 0.41 0.46 -0.94 0.00 0.00 0.00 175.10 175.03 1vln s SER 66 N 0.09 -0.11 0.04 3.32 1.04 -0.87 -0.92 113.70 116.28 1vln s SER 66 Ca -0.05 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 55.64 1vln s SER 66 Cb -0.12 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1vln s SER 66 CO 0.02 -1.07 -0.16 -0.31 0.98 0.00 0.00 173.24 172.70 1vln s TYR 67 N -3.97 1.38 0.16 5.02 2.02 -1.26 -1.89 117.35 118.80 1vln s TYR 67 Ca 0.18 -0.35 -0.34 0.00 -0.37 0.00 0.00 57.07 56.19 1vln s TYR 67 Cb -0.00 -0.82 -0.14 0.00 -0.40 0.00 0.00 41.96 40.59 1vln s TYR 67 CO 0.04 0.05 1.52 -0.35 -1.57 0.00 0.00 175.55 175.24 1vln n PRO 68 N 1.94 1.99 -0.87 -1.71 -0.04 -1.26 -1.72 135.00 133.33 1vln n PRO 68 Ca -0.18 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1vln n PRO 68 Cb 0.54 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1vln n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vln n ASN 69 N 3.12 -3.36 -1.63 3.54 4.13 -1.26 -4.96 115.26 114.85 1vln n ASN 69 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1vln n ASN 69 Cb 0.28 -2.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.12 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vln n ALA 70 N 1.00 0.00 -2.92 5.41 0.00 -0.70 -5.12 120.51 118.19 1vln n ALA 70 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1vln n ALA 70 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1vln n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vln s ASP 71 N -0.97 6.14 0.23 0.00 1.11 -1.26 -4.79 116.67 117.13 1vln s ASP 71 Ca 0.00 0.07 0.05 0.00 0.18 0.00 0.00 52.55 52.85 1vln s ASP 71 Cb 0.00 -1.79 -0.03 0.00 1.07 0.00 0.00 42.92 42.17 1vln s ASP 71 CO 0.00 0.03 0.34 -0.94 1.18 0.00 0.00 175.17 175.78 1vln s SER 72 N -3.39 6.28 -0.04 0.27 1.04 -1.26 -4.39 113.70 112.21 1vln s SER 72 Ca 0.34 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.88 1vln s SER 72 Cb -0.10 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 1vln s SER 72 CO 0.27 -0.06 -0.20 0.00 0.98 0.00 0.00 173.24 174.24 1vln s ALA 73 N -1.96 2.43 0.03 5.32 0.00 -0.10 -4.96 121.76 122.52 1vln s ALA 73 Ca 0.34 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1vln s ALA 73 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1vln s ALA 73 CO 0.29 0.53 -0.12 0.99 0.00 0.00 0.00 175.76 177.45 1vln s THR 74 N -0.62 0.95 -0.10 0.00 2.01 -1.26 -1.18 115.64 115.44 1vln s THR 74 Ca 0.09 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 1vln s THR 74 Cb -0.11 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.56 1vln s THR 74 CO 0.00 -0.01 0.26 0.54 -0.69 0.00 0.00 174.62 174.72 1vln s VAL 75 N -0.79 -0.01 0.02 3.82 0.11 -0.75 -4.76 120.40 118.04 1vln s VAL 75 Ca 0.00 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1vln s VAL 75 Cb -0.07 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1vln s VAL 75 CO 0.01 0.01 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.32 1vln s SER 76 N 0.30 0.26 -0.18 3.54 0.01 -1.26 -1.21 113.70 115.16 1vln s SER 76 Ca -0.01 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1vln s SER 76 Cb -0.03 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.38 1vln s SER 76 CO -0.01 -0.33 0.42 -0.47 0.41 0.00 0.00 173.24 173.26 1vln s TYR 77 N -1.70 -0.65 -0.40 2.43 5.04 -0.75 -4.94 117.35 116.38 1vln s TYR 77 Ca -0.14 1.35 -0.29 0.00 -2.44 0.00 0.00 57.07 55.55 1vln s TYR 77 Cb -0.08 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.53 1vln s TYR 77 CO -0.02 -0.37 1.24 -0.51 -1.34 0.00 0.00 175.55 174.55 1vln s ASP 78 N 1.58 6.61 -0.06 4.32 1.11 -1.26 -0.75 116.67 128.21 1vln s ASP 78 Ca -0.08 0.80 -0.06 0.00 0.18 0.00 0.00 52.55 53.39 1vln s ASP 78 Cb -0.09 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.37 1vln s ASP 78 CO -0.13 -1.21 0.18 0.54 1.18 0.00 0.00 175.17 175.73 1vln s VAL 79 N 4.58 0.00 -0.75 -1.27 0.11 -0.21 -4.98 120.40 117.89 1vln s VAL 79 Ca 0.53 -0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 1vln s VAL 79 Cb -0.12 -0.26 0.20 0.00 -1.53 0.00 0.00 36.38 34.67 1vln s VAL 79 CO 0.28 -0.01 0.66 -0.62 -3.33 0.00 0.00 175.10 172.08 1vln s ASP 80 N 0.05 6.37 0.60 3.54 -1.08 -1.26 -4.32 116.67 120.57 1vln s ASP 80 Ca -0.00 -2.60 0.33 0.00 -0.52 0.00 0.00 52.55 49.75 1vln s ASP 80 Cb -0.01 -2.13 1.78 0.00 -1.46 0.00 0.00 42.92 41.10 1vln s ASP 80 CO 0.00 -0.57 2.00 -0.07 0.52 0.00 0.00 175.17 177.05 1vln h LEU 81 N 7.77 0.00 -1.77 -1.34 3.38 -1.98 -1.32 115.31 120.05 1vln h LEU 81 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1vln h LEU 81 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vln h LEU 81 CO 0.78 0.00 -0.12 0.44 0.09 0.00 0.00 178.44 179.62 1vln h ASP 82 N 0.00 0.00 -0.37 -0.43 5.19 -1.92 0.49 116.42 119.38 1vln h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1vln h ASP 82 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1vln h ASP 82 CO 0.00 0.12 0.00 0.59 -3.12 0.00 0.00 179.24 176.83 1vln n ASN 83 N -3.49 3.33 0.00 6.45 5.03 -0.50 -4.57 115.26 121.51 1vln n ASN 83 Ca -0.01 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.49 1vln n ASN 83 Cb 0.27 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1vln n ASN 83 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1vln n VAL 84 N 1.34 0.00 -4.19 2.41 0.31 -0.80 -5.10 118.33 112.31 1vln n VAL 84 Ca 0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.28 1vln n VAL 84 Cb 0.57 -0.84 -0.06 0.00 -0.91 0.00 0.00 33.84 32.59 1vln n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1vln s LEU 85 N -5.33 3.53 1.11 7.52 1.43 0.10 -5.01 118.68 122.02 1vln s LEU 85 Ca 0.00 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1vln s LEU 85 Cb 0.00 -2.08 0.25 0.00 0.03 0.00 0.00 46.19 44.39 1vln s LEU 85 CO 0.00 0.00 1.06 -2.84 0.23 0.00 0.00 176.35 174.80 1vln s PRO 86 N -3.61 -0.48 0.15 1.29 0.02 -1.26 -4.74 135.00 126.36 1vln s PRO 86 Ca 0.31 0.60 -0.03 0.00 0.02 0.00 0.00 61.00 61.90 1vln s PRO 86 Cb -0.08 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 1vln s PRO 86 CO 0.22 -3.37 1.35 1.49 -0.33 0.00 0.00 177.00 176.37 1vln h GLU 87 N -2.36 0.39 -5.55 5.54 4.81 -1.95 -3.43 114.58 112.04 1vln h GLU 87 Ca -0.58 -0.39 -0.66 0.00 -0.13 0.00 0.00 59.36 57.60 1vln h GLU 87 Cb 1.34 0.10 -0.25 0.00 0.63 0.00 0.00 28.75 30.57 1vln h GLU 87 CO 0.53 1.05 -0.75 -1.58 -0.73 0.00 0.00 179.01 177.53 1vln s TRP 88 N -3.38 2.83 0.09 0.92 0.52 -1.26 -0.94 118.94 117.72 1vln s TRP 88 Ca -0.06 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 55.62 1vln s TRP 88 Cb 0.09 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1vln s TRP 88 CO 0.86 -0.08 0.07 1.33 0.02 0.00 0.00 176.95 179.15 1vln n VAL 89 N 3.21 0.00 -4.12 4.03 0.24 0.16 -4.43 118.33 117.42 1vln n VAL 89 Ca -0.18 -0.67 -0.15 0.00 -2.04 0.00 0.00 64.34 61.30 1vln n VAL 89 Cb 0.53 0.33 -0.12 0.00 -1.47 0.00 0.00 33.84 33.10 1vln n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vln s ARG 90 N -2.38 0.57 0.08 7.34 0.52 -0.03 -0.45 118.95 124.59 1vln s ARG 90 Ca 0.10 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 54.72 1vln s ARG 90 Cb 0.01 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1vln s ARG 90 CO 0.07 0.09 -0.12 0.14 0.02 0.00 0.00 175.30 175.51 1vln s VAL 91 N -1.07 3.25 0.16 3.52 -7.23 -1.26 -1.23 120.40 116.53 1vln s VAL 91 Ca -0.06 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.86 1vln s VAL 91 Cb -0.08 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1vln s VAL 91 CO 0.01 0.20 0.31 0.61 -0.31 0.00 0.00 175.10 175.91 1vln n GLY 92 N 1.01 1.67 3.07 2.32 0.00 0.05 -2.09 105.19 111.22 1vln n GLY 92 Ca -0.14 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 1vln n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vln s LEU 93 N 0.00 1.97 0.04 0.99 1.43 0.21 -1.55 118.68 121.77 1vln s LEU 93 Ca 0.07 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1vln s LEU 93 Cb -0.02 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 1vln s LEU 93 CO 0.05 0.14 -0.06 -0.55 0.23 0.00 0.00 176.35 176.16 1vln s SER 94 N -0.18 0.63 0.16 2.29 0.15 0.27 -0.61 113.70 116.40 1vln s SER 94 Ca 0.03 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 55.95 1vln s SER 94 Cb -0.06 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1vln s SER 94 CO -0.00 -0.26 0.45 0.00 1.20 0.00 0.00 173.24 174.63 1vln s ALA 95 N -1.57 -0.89 0.20 5.45 0.00 -0.92 -0.07 121.76 123.96 1vln s ALA 95 Ca -0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1vln s ALA 95 Cb -0.09 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1vln s ALA 95 CO -0.01 -0.72 0.54 -1.54 0.00 0.00 0.00 175.76 174.04 1vln s SER 96 N -2.84 -0.29 0.02 0.00 1.04 -1.16 -2.38 113.70 108.08 1vln s SER 96 Ca 0.07 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1vln s SER 96 Cb 0.01 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1vln s SER 96 CO -0.07 -1.07 -0.04 0.42 0.98 0.00 0.00 173.24 173.46 1vln s THR 97 N -3.87 0.18 0.00 2.02 -4.23 -0.00 -1.57 115.64 108.17 1vln s THR 97 Ca 0.09 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1vln s THR 97 Cb -0.01 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1vln s THR 97 CO -0.03 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1vln n GLY 98 N 1.64 2.43 0.28 3.99 0.00 -1.26 -2.53 105.19 109.75 1vln n GLY 98 Ca -0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1vln n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vln h LEU 99 N 0.00 0.79 -9.90 0.99 5.85 -1.96 -1.58 115.31 109.50 1vln h LEU 99 Ca 0.00 -0.23 -0.51 0.00 0.84 0.00 0.00 57.88 57.98 1vln h LEU 99 Cb 0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1vln h LEU 99 CO 0.00 0.91 -0.53 -0.31 -0.34 0.00 0.00 178.44 178.17 1vln s TYR 100 N -4.83 3.12 0.20 1.25 2.02 -1.26 -4.91 117.35 112.93 1vln s TYR 100 Ca -0.09 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.46 1vln s TYR 100 Cb 0.14 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1vln s TYR 100 CO 0.82 0.52 0.22 -1.59 -1.57 0.00 0.00 175.55 173.95 1vln s LYS 101 N -3.77 1.24 0.25 -0.62 0.00 -1.24 -4.42 119.74 111.18 1vln s LYS 101 Ca 0.33 -1.46 -0.20 0.00 0.00 0.00 0.00 55.97 54.64 1vln s LYS 101 Cb -0.08 0.32 0.02 0.00 0.00 0.00 0.00 37.83 38.10 1vln s LYS 101 CO 0.25 -0.43 0.65 -1.83 0.00 0.00 0.00 175.35 173.98 1vln s GLU 102 N -4.09 1.65 -0.09 1.78 -1.05 -1.17 -3.78 118.70 111.95 1vln s GLU 102 Ca 0.31 -0.95 -0.19 0.00 -0.15 0.00 0.00 54.97 53.98 1vln s GLU 102 Cb 0.05 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.27 1vln s GLU 102 CO 0.08 -0.74 0.54 0.95 0.95 0.00 0.00 175.26 177.05 1vln s THR 103 N -3.91 5.12 -0.85 1.83 -4.23 -0.76 -4.71 115.64 108.14 1vln s THR 103 Ca 0.11 1.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 1vln s THR 103 Cb -0.04 -3.88 0.25 0.00 1.34 0.00 0.00 72.50 70.17 1vln s THR 103 CO 0.04 0.33 0.93 0.59 -0.54 0.00 0.00 174.62 175.97 1vln n ASN 104 N 3.50 4.54 -4.76 3.99 4.13 -1.26 -3.58 115.26 121.83 1vln n ASN 104 Ca -0.06 -3.31 -0.37 0.00 1.68 0.00 0.00 54.58 52.51 1vln n ASN 104 Cb 0.51 -0.96 -0.06 0.00 -1.54 0.00 0.00 39.78 37.73 1vln n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1vln s THR 105 N -2.11 5.20 -0.27 3.41 2.01 -1.16 -1.83 115.64 120.89 1vln s THR 105 Ca 0.33 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 63.05 1vln s THR 105 Cb 0.03 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1vln s THR 105 CO -0.03 0.42 0.01 -0.63 -0.69 0.00 0.00 174.62 173.69 1vln s ILE 106 N 0.12 3.45 -0.11 1.82 -1.09 0.37 -1.54 121.20 124.22 1vln s ILE 106 Ca 0.22 -0.80 0.16 0.00 -2.23 0.00 0.00 60.65 58.00 1vln s ILE 106 Cb -0.15 -2.74 -0.17 0.00 -1.58 0.00 0.00 42.46 37.82 1vln s ILE 106 CO 0.09 0.17 0.73 0.18 -1.23 0.00 0.00 174.94 174.88 1vln n LEU 107 N 4.78 0.79 -3.51 2.97 4.32 -0.83 -1.46 117.00 124.06 1vln n LEU 107 Ca -0.16 0.35 -0.16 0.00 -0.02 0.00 0.00 56.01 56.03 1vln n LEU 107 Cb 0.48 0.12 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1vln n LEU 107 CO 0.29 0.22 0.50 -0.94 -1.22 0.00 0.00 177.39 176.24 1vln s SER 108 N -5.80 -0.59 -0.16 -1.43 1.04 -1.24 -4.42 113.70 101.11 1vln s SER 108 Ca -0.04 0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 1vln s SER 108 Cb 0.08 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1vln s SER 108 CO 0.82 -0.62 0.38 0.86 0.98 0.00 0.00 173.24 175.66 1vln s TRP 109 N -1.60 -0.53 0.06 5.02 -0.00 -0.41 -2.37 118.94 119.11 1vln s TRP 109 Ca -0.07 1.16 0.03 0.00 -0.00 0.00 0.00 56.10 57.22 1vln s TRP 109 Cb -0.00 0.21 -0.03 0.00 -0.00 0.00 0.00 33.47 33.65 1vln s TRP 109 CO 0.05 -0.30 -0.10 -1.12 -0.00 0.00 0.00 176.95 175.48 1vln s SER 110 N 1.14 1.17 -0.21 5.86 0.01 -0.08 0.04 113.70 121.64 1vln s SER 110 Ca -0.08 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.40 1vln s SER 110 Cb -0.08 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.22 1vln s SER 110 CO -0.09 -0.18 0.54 0.12 0.41 0.00 0.00 173.24 174.04 1vln s PHE 111 N -1.54 -0.67 -0.03 2.43 5.36 -0.67 -1.81 117.98 121.05 1vln s PHE 111 Ca -0.05 1.53 -0.01 0.00 -0.96 0.00 0.00 56.93 57.44 1vln s PHE 111 Cb -0.09 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.91 1vln s PHE 111 CO 0.01 -0.33 0.06 0.99 -1.46 0.00 0.00 175.22 174.48 1vln s THR 112 N 0.70 -0.06 -0.01 0.12 2.01 -0.27 -1.99 115.64 116.14 1vln s THR 112 Ca -0.03 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1vln s THR 112 Cb -0.05 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.33 1vln s THR 112 CO -0.05 0.09 -0.08 -0.94 -0.69 0.00 0.00 174.62 172.95 1vln s SER 113 N 1.17 0.93 -0.01 3.53 1.04 -0.63 -0.48 113.70 119.25 1vln s SER 113 Ca -0.08 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1vln s SER 113 Cb -0.13 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 1vln s SER 113 CO -0.04 0.09 -0.07 -0.54 0.98 0.00 0.00 173.24 173.66 1vln s LYS 114 N -0.11 0.56 -0.25 4.02 1.02 -0.64 -1.16 119.74 123.19 1vln s LYS 114 Ca 0.02 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.77 1vln s LYS 114 Cb -0.04 -0.55 0.07 0.00 -0.52 0.00 0.00 37.83 36.80 1vln s LYS 114 CO -0.00 0.13 0.01 -0.51 -0.92 0.00 0.00 175.35 174.06 1vln s LEU 115 N -0.10 2.28 -0.55 3.17 1.43 -0.22 -2.04 118.68 122.66 1vln s LEU 115 Ca 0.02 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 51.65 1vln s LEU 115 Cb -0.03 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.26 1vln s LEU 115 CO -0.00 -0.30 0.78 -0.54 0.23 0.00 0.00 176.35 176.51 1vln s LYS 116 N 1.53 3.18 -1.24 1.70 3.01 0.02 -1.97 119.74 125.97 1vln s LYS 116 Ca 0.00 -0.72 -0.10 0.00 -1.01 0.00 0.00 55.97 54.14 1vln s LYS 116 Cb -0.18 -4.11 0.18 0.00 -1.01 0.00 0.00 37.83 32.70 1vln s LYS 116 CO -0.11 -1.41 1.70 0.45 0.51 0.00 0.00 175.35 176.49 1vln n SER 117 N 6.79 5.22 0.00 2.83 2.88 -1.19 0.10 113.62 130.25 1vln n SER 117 Ca -0.04 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.41 1vln n SER 117 Cb 0.46 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1vln n SER 117 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1vln n ASN 118 N 4.22 0.00 -4.78 -3.46 5.15 -1.08 -4.76 115.26 110.56 1vln n ASN 118 Ca 0.38 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.99 1vln n ASN 118 Cb 0.38 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1vln s SER 119 N 0.00 6.56 0.00 1.20 0.01 -1.26 -4.96 113.70 115.25 1vln s SER 119 Ca 0.00 2.13 -0.30 0.00 1.31 0.00 0.00 55.95 59.08 1vln s SER 119 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1vln s SER 119 CO 0.00 -0.63 1.14 0.28 0.41 0.00 0.00 173.24 174.43 1vln s THR 120 N -1.63 4.33 0.00 1.44 -1.32 -1.26 -3.25 115.64 113.96 1vln s THR 120 Ca 0.60 1.67 0.00 0.00 -1.21 0.00 0.00 61.69 62.74 1vln s THR 120 Cb -0.24 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 1vln s THR 120 CO 0.30 0.08 0.00 1.41 -2.21 0.00 0.00 174.62 174.20 1vln n HIS 121 N 4.38 0.00 -3.56 9.09 8.25 -1.26 -4.96 115.22 127.15 1vln n HIS 121 Ca 0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 1vln n HIS 121 Cb 0.47 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 1vln n HIS 121 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1vln s GLU 122 N -0.53 3.38 -0.06 -0.41 2.02 -1.20 -5.04 118.70 116.86 1vln s GLU 122 Ca 0.00 -3.08 0.06 0.00 0.02 0.00 0.00 54.97 51.97 1vln s GLU 122 Cb 0.00 -4.08 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 1vln s GLU 122 CO 0.00 -1.25 -0.25 0.99 0.02 0.00 0.00 175.26 174.77 1vln s THR 123 N -1.00 2.07 -0.15 3.63 2.01 -1.26 -3.17 115.64 117.77 1vln s THR 123 Ca 0.26 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1vln s THR 123 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1vln s THR 123 CO -0.10 0.57 0.11 0.20 -0.69 0.00 0.00 174.62 174.71 1vln s ASN 124 N -0.17 6.09 0.01 3.53 -0.87 -0.83 -4.97 114.94 117.73 1vln s ASN 124 Ca -0.04 0.30 -0.02 0.00 -1.57 0.00 0.00 52.86 51.53 1vln s ASN 124 Cb -0.14 -2.00 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1vln s ASN 124 CO 0.04 0.30 0.02 0.00 -2.57 0.00 0.00 177.10 174.89 1vln s ALA 125 N -0.35 -0.03 -0.01 0.60 0.00 -1.26 -1.05 121.76 119.66 1vln s ALA 125 Ca 0.11 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1vln s ALA 125 Cb -0.12 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1vln s ALA 125 CO 0.01 -0.16 -0.08 -1.17 0.00 0.00 0.00 175.76 174.36 1vln s LEU 126 N -1.34 2.02 -0.24 0.00 2.96 -0.31 -5.01 118.68 116.77 1vln s LEU 126 Ca -0.15 -0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 1vln s LEU 126 Cb -0.09 -0.41 0.07 0.00 0.50 0.00 0.00 46.19 46.27 1vln s LEU 126 CO -0.00 0.09 0.59 -2.28 -1.32 0.00 0.00 176.35 173.43 1vln s HIS 127 N -0.20 -0.83 0.04 5.38 5.65 -1.26 -1.61 115.29 122.45 1vln s HIS 127 Ca 0.03 1.76 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1vln s HIS 127 Cb -0.03 0.42 -0.03 0.00 -1.18 0.00 0.00 32.58 31.76 1vln s HIS 127 CO -0.00 -0.42 -0.04 -0.59 -0.65 0.00 0.00 174.74 173.04 1vln s PHE 128 N 1.21 0.41 -0.18 3.88 -0.12 -0.84 -5.02 117.98 117.32 1vln s PHE 128 Ca -0.07 -0.70 -0.04 0.00 -0.05 0.00 0.00 56.93 56.07 1vln s PHE 128 Cb -0.06 -0.29 0.09 0.00 -0.63 0.00 0.00 43.02 42.13 1vln s PHE 128 CO -0.12 -0.23 0.29 1.41 -0.05 0.00 0.00 175.22 176.52 1vln s MET 129 N -2.28 0.22 -0.34 1.99 1.75 -1.26 -1.67 119.30 117.70 1vln s MET 129 Ca -0.07 0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 54.88 1vln s MET 129 Cb -0.04 -0.41 0.03 0.00 2.84 0.00 0.00 34.83 37.25 1vln s MET 129 CO -0.04 -0.46 0.12 -0.06 -0.65 0.00 0.00 175.02 173.94 1vln s PHE 130 N 2.44 3.23 -2.22 4.11 0.08 0.11 -4.91 117.98 120.81 1vln s PHE 130 Ca 0.05 -1.23 0.18 0.00 0.12 0.00 0.00 56.93 56.05 1vln s PHE 130 Cb -0.14 -2.31 0.16 0.00 -0.57 0.00 0.00 43.02 40.17 1vln s PHE 130 CO -0.11 -0.68 1.09 0.09 -0.10 0.00 0.00 175.22 175.51 1vln n ASN 131 N 4.86 2.55 -3.64 1.36 3.02 -1.26 -1.28 115.26 120.87 1vln n ASN 131 Ca -0.13 -1.76 -0.06 0.00 -0.03 0.00 0.00 54.58 52.60 1vln n ASN 131 Cb 0.46 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 1vln n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1vln s GLN 132 N -1.48 0.54 -0.03 3.52 0.74 -1.26 -4.80 119.66 116.89 1vln s GLN 132 Ca 0.22 0.85 -0.01 0.00 0.05 0.00 0.00 55.36 56.47 1vln s GLN 132 Cb 0.15 0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 1vln s GLN 132 CO 0.23 -0.10 0.06 -0.06 -0.55 0.00 0.00 175.29 174.86 1vln s PHE 133 N 1.15 3.25 0.32 1.67 0.40 -0.02 -5.03 117.98 119.72 1vln s PHE 133 Ca -0.06 0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.56 1vln s PHE 133 Cb -0.04 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1vln s PHE 133 CO -0.14 0.54 0.17 -1.54 0.70 0.00 0.00 175.22 174.95 1vln s SER 134 N -1.44 4.94 0.48 1.36 1.04 -1.26 -3.88 113.70 114.94 1vln s SER 134 Ca 0.19 -0.61 0.24 0.00 0.48 0.00 0.00 55.95 56.26 1vln s SER 134 Cb -0.12 -0.90 1.28 0.00 0.10 0.00 0.00 66.02 66.38 1vln s SER 134 CO 0.10 -0.23 1.88 0.50 0.98 0.00 0.00 173.24 176.46 1vln h LYS 135 N 1.51 0.19 -2.28 4.02 3.11 -1.88 -3.09 116.57 118.15 1vln h LYS 135 Ca -0.45 -0.01 -0.59 0.00 -2.81 0.00 0.00 60.65 56.80 1vln h LYS 135 Cb 1.25 -0.04 -0.40 0.00 -1.00 0.00 0.00 32.23 32.04 1vln h LYS 135 CO 0.61 0.13 -0.85 -3.47 -2.81 0.00 0.00 179.45 173.06 1vln n ASP 136 N -4.40 1.60 -4.57 4.20 -0.08 -1.26 -4.78 116.55 107.25 1vln n ASP 136 Ca 0.18 -2.95 -0.34 0.00 -1.51 0.00 0.00 54.79 50.17 1vln n ASP 136 Cb 0.81 -0.65 -0.04 0.00 2.34 0.00 0.00 41.12 43.58 1vln n ASP 136 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1vln s GLN 137 N -1.42 3.14 0.00 -0.67 2.00 -1.17 -4.82 119.66 116.72 1vln s GLN 137 Ca 0.35 -1.19 0.07 0.00 -2.00 0.00 0.00 55.36 52.59 1vln s GLN 137 Cb 0.11 -5.31 0.36 0.00 0.80 0.00 0.00 33.01 28.97 1vln s GLN 137 CO -0.10 -3.02 1.01 1.63 -0.50 0.00 0.00 175.29 174.31 1vln n LYS 138 N 8.57 0.13 -0.54 1.67 5.02 -1.26 -2.42 118.16 129.33 1vln n LYS 138 Ca 0.42 0.16 0.08 0.00 -2.02 0.00 0.00 58.31 56.96 1vln n LYS 138 Cb 0.47 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.29 1vln n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1vln n ASP 139 N -1.21 4.38 -4.20 4.39 5.75 -1.26 -4.94 116.55 119.46 1vln n ASP 139 Ca 0.04 -2.64 -0.21 0.00 -0.01 0.00 0.00 54.79 51.97 1vln n ASP 139 Cb 0.04 -0.53 -0.13 0.00 -1.03 0.00 0.00 41.12 39.48 1vln n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1vln s LEU 140 N -2.18 2.24 -0.38 -2.12 1.43 -1.01 -0.86 118.68 115.79 1vln s LEU 140 Ca 0.45 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1vln s LEU 140 Cb 0.32 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.90 1vln s LEU 140 CO 0.17 0.02 0.20 -0.63 0.23 0.00 0.00 176.35 176.34 1vln s ILE 141 N -1.06 4.21 -0.06 -0.59 1.01 0.20 -4.82 121.20 120.09 1vln s ILE 141 Ca 0.02 -1.17 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 1vln s ILE 141 Cb -0.09 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1vln s ILE 141 CO 0.02 -0.34 0.54 -0.76 0.00 0.00 0.00 174.94 174.40 1vln s LEU 142 N 1.46 4.35 0.07 2.97 1.43 -1.26 -1.23 118.68 126.47 1vln s LEU 142 Ca 0.01 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1vln s LEU 142 Cb -0.21 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1vln s LEU 142 CO 0.04 0.06 -0.11 -1.10 0.23 0.00 0.00 176.35 175.46 1vln s GLN 143 N 0.17 0.77 7.50 1.70 -0.21 0.34 -4.98 119.66 124.95 1vln s GLN 143 Ca 0.29 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1vln s GLN 143 Cb -0.17 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.22 1vln s GLN 143 CO 0.14 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 1vln n GLY 144 N 1.06 2.66 1.55 3.09 0.00 -1.26 -0.97 105.19 111.33 1vln n GLY 144 Ca -0.20 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.63 1vln n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vln n ASP 145 N 7.43 4.90 -4.75 1.61 8.00 0.17 -4.93 116.55 128.99 1vln n ASP 145 Ca 0.00 -2.67 -0.41 0.00 0.71 0.00 0.00 54.79 52.42 1vln n ASP 145 Cb 0.00 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 1vln n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vln s ALA 146 N -2.25 3.40 0.00 2.24 0.00 -1.10 -4.18 121.76 119.87 1vln s ALA 146 Ca 0.50 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 1vln s ALA 146 Cb 0.35 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1vln s ALA 146 CO 0.19 -0.23 0.18 0.95 0.00 0.00 0.00 175.76 176.86 1vln s THR 147 N -0.54 0.08 0.36 0.00 -4.23 -0.28 -4.74 115.64 106.30 1vln s THR 147 Ca 0.48 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1vln s THR 147 Cb -0.31 -0.52 -0.06 0.00 1.34 0.00 0.00 72.50 72.95 1vln s THR 147 CO 0.37 -0.36 0.04 0.42 -0.54 0.00 0.00 174.62 174.55 1vln s THR 148 N -1.49 2.46 0.00 3.99 -4.23 -1.26 -0.59 115.64 114.51 1vln s THR 148 Ca -0.14 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1vln s THR 148 Cb -0.06 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1vln s THR 148 CO 0.02 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1vln n GLY 149 N -1.00 3.21 3.57 3.99 0.00 -0.77 -4.42 105.19 109.77 1vln n GLY 149 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1vln n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vln s THR 150 N -2.72 3.11 -0.81 2.61 2.01 -1.22 -1.48 115.64 117.14 1vln s THR 150 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1vln s THR 150 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1vln s THR 150 CO 0.00 -0.22 0.00 -0.67 -0.69 0.00 0.00 174.62 173.04 1vln n ASP 151 N 18.01 -3.30 -0.60 3.53 2.03 -1.26 -2.30 116.55 132.66 1vln n ASP 151 Ca 0.44 0.03 -0.08 0.00 0.52 0.00 0.00 54.79 55.71 1vln n ASP 151 Cb 0.45 -2.42 -0.03 0.00 -0.72 0.00 0.00 41.12 38.40 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vln n GLY 152 N -1.16 0.97 3.88 0.27 0.00 -0.55 -4.99 105.19 103.61 1vln n GLY 152 Ca -0.10 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1vln n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vln s ASN 153 N -2.83 4.84 -0.23 1.61 0.01 -0.97 -0.84 114.94 116.53 1vln s ASN 153 Ca 0.00 -0.96 -0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1vln s ASN 153 Cb 0.00 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.51 1vln s ASN 153 CO 0.00 -0.84 -0.10 -0.22 -1.51 0.00 0.00 177.10 174.43 1vln s LEU 154 N -4.19 2.92 -0.42 0.60 2.96 -0.53 -1.85 118.68 118.17 1vln s LEU 154 Ca 0.44 -0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 53.38 1vln s LEU 154 Cb -0.02 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.09 1vln s LEU 154 CO 0.26 -0.09 0.31 -1.61 -1.32 0.00 0.00 176.35 173.90 1vln s GLU 155 N 1.31 2.95 0.17 1.98 0.41 0.24 -0.48 118.70 125.28 1vln s GLU 155 Ca 0.01 -1.09 -0.05 0.00 -0.41 0.00 0.00 54.97 53.42 1vln s GLU 155 Cb -0.16 -3.99 0.05 0.00 -1.78 0.00 0.00 34.13 28.25 1vln s GLU 155 CO -0.07 -0.80 1.46 -0.07 -0.49 0.00 0.00 175.26 175.30 1vln h LEU 156 N 8.63 0.71 -9.31 1.80 3.38 -1.63 -0.73 115.31 118.17 1vln h LEU 156 Ca -0.27 -0.39 -0.61 0.00 0.09 0.00 0.00 57.88 56.70 1vln h LEU 156 Cb 1.12 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 1vln h LEU 156 CO 0.75 1.13 -0.73 0.42 0.09 0.00 0.00 178.44 180.11 1vln s THR 157 N -3.98 2.47 0.00 0.22 -4.23 -1.26 -2.70 115.64 106.15 1vln s THR 157 Ca -0.08 -2.31 -0.33 0.00 -1.18 0.00 0.00 61.69 57.79 1vln s THR 157 Cb 0.11 -2.45 -0.12 0.00 1.34 0.00 0.00 72.50 71.39 1vln s THR 157 CO 0.86 -0.33 1.83 -1.14 -0.54 0.00 0.00 174.62 175.29 1vln n ARG 158 N -0.70 2.34 -4.31 3.99 0.63 -1.26 -4.80 116.66 112.56 1vln n ARG 158 Ca -0.05 0.85 -0.22 0.00 -0.92 0.00 0.00 57.85 57.51 1vln n ARG 158 Cb 0.61 -2.71 -0.16 0.00 0.45 0.00 0.00 32.46 30.65 1vln n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1vln s VAL 159 N 3.34 0.79 0.96 5.15 1.01 -1.26 -1.47 120.40 128.91 1vln s VAL 159 Ca 0.88 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1vln s VAL 159 Cb -0.63 -0.77 0.16 0.00 0.00 0.00 0.00 36.38 35.14 1vln s VAL 159 CO 0.46 0.28 1.09 -0.94 0.00 0.00 0.00 175.10 176.00 1vln s SER 160 N 0.88 2.97 0.26 3.32 1.04 0.15 -4.83 113.70 117.48 1vln s SER 160 Ca -0.11 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 1vln s SER 160 Cb -0.15 -1.95 0.54 0.00 0.10 0.00 0.00 66.02 64.57 1vln s SER 160 CO 0.01 -2.93 1.74 0.77 0.98 0.00 0.00 173.24 173.81 1vln h SER 161 N -1.75 0.39 -0.04 7.02 4.64 -2.01 0.36 113.55 122.16 1vln h SER 161 Ca -0.53 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1vln h SER 161 Cb 1.31 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1vln h SER 161 CO 0.57 0.13 0.03 -0.46 -0.87 0.00 0.00 176.83 176.23 1vln n ASN 162 N -4.96 2.97 -2.18 4.97 6.94 -1.26 -4.80 115.26 116.94 1vln n ASN 162 Ca 0.17 -2.07 -0.15 0.00 -0.02 0.00 0.00 54.58 52.51 1vln n ASN 162 Cb 0.47 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.36 1vln n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vln n GLY 163 N 0.42 -0.01 3.84 4.83 0.00 0.13 -4.97 105.19 109.43 1vln n GLY 163 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1vln n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vln s SER 164 N -2.10 6.39 0.48 1.61 0.01 -1.21 -4.81 113.70 114.06 1vln s SER 164 Ca 0.00 0.46 -0.23 0.00 1.31 0.00 0.00 55.95 57.49 1vln s SER 164 Cb 0.00 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 64.07 1vln s SER 164 CO 0.00 0.35 1.22 -2.84 0.41 0.00 0.00 173.24 172.38 1vln s PRO 165 N -0.70 3.63 0.08 12.44 0.02 -1.26 0.32 135.00 149.53 1vln s PRO 165 Ca 0.14 1.91 0.08 0.00 0.02 0.00 0.00 61.00 63.16 1vln s PRO 165 Cb -0.12 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1vln s PRO 165 CO 0.03 -0.70 -0.20 -0.65 -0.33 0.00 0.00 177.00 175.15 1vln s GLN 166 N -2.71 1.85 0.84 5.54 -0.21 -0.54 -4.85 119.66 119.58 1vln s GLN 166 Ca 0.65 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.79 1vln s GLN 166 Cb -0.32 -2.10 0.10 0.00 1.00 0.00 0.00 33.01 31.69 1vln s GLN 166 CO 0.39 0.50 1.20 0.20 -2.12 0.00 0.00 175.29 175.46 1vln s GLY 167 N -1.73 1.62 -1.36 3.09 0.00 -1.26 -4.38 107.32 103.29 1vln s GLY 167 Ca 0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 44.03 1vln s GLY 167 CO 0.07 -0.18 0.41 1.44 0.00 0.00 0.00 173.10 174.83 1vln n SER 168 N -3.42 -1.66 -4.33 1.64 7.64 -0.59 -4.91 113.62 107.99 1vln n SER 168 Ca 0.09 -1.18 -0.28 0.00 1.01 0.00 0.00 58.87 58.51 1vln n SER 168 Cb 0.61 -2.26 -0.14 0.00 -1.01 0.00 0.00 64.21 61.41 1vln n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vln s SER 169 N -4.02 3.00 -0.06 6.43 0.15 -1.05 -4.95 113.70 113.20 1vln s SER 169 Ca 0.20 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.20 1vln s SER 169 Cb -0.10 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1vln s SER 169 CO 0.94 0.21 0.14 0.54 1.20 0.00 0.00 173.24 176.28 1vln s VAL 170 N -0.87 -0.02 -0.18 4.45 0.11 -1.26 -0.82 120.40 121.80 1vln s VAL 170 Ca 0.11 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.04 1vln s VAL 170 Cb -0.10 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.58 1vln s VAL 170 CO 0.03 0.03 0.54 -0.83 -3.33 0.00 0.00 175.10 171.54 1vln s GLY 171 N 0.56 -0.40 0.08 6.54 0.00 -1.00 0.44 107.32 113.52 1vln s GLY 171 Ca -0.04 1.45 0.04 0.00 0.00 0.00 0.00 44.72 46.17 1vln s GLY 171 CO -0.03 1.22 -0.12 0.50 0.00 0.00 0.00 173.10 174.67 1vln s ARG 172 N 0.10 0.79 -0.12 2.90 0.52 -0.14 -2.17 118.95 120.83 1vln s ARG 172 Ca -0.01 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1vln s ARG 172 Cb -0.04 -0.70 0.03 0.00 0.52 0.00 0.00 34.95 34.76 1vln s ARG 172 CO 0.02 0.14 -0.08 0.00 0.02 0.00 0.00 175.30 175.40 1vln s ALA 173 N -1.57 1.39 -0.04 2.13 0.00 0.22 -0.50 121.76 123.39 1vln s ALA 173 Ca -0.01 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1vln s ALA 173 Cb -0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1vln s ALA 173 CO 0.02 -0.46 -0.24 -0.51 0.00 0.00 0.00 175.76 174.57 1vln s LEU 174 N 1.68 2.13 0.30 0.00 1.02 -0.37 -0.62 118.68 122.82 1vln s LEU 174 Ca 0.05 -0.46 -0.29 0.00 0.02 0.00 0.00 54.13 53.44 1vln s LEU 174 Cb -0.13 -1.38 -0.10 0.00 0.02 0.00 0.00 46.19 44.60 1vln s LEU 174 CO -0.08 0.29 1.33 0.12 0.02 0.00 0.00 176.35 178.02 1vln s PHE 175 N -0.40 3.07 0.21 0.29 5.36 -0.89 0.59 117.98 126.21 1vln s PHE 175 Ca 0.04 1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 57.23 1vln s PHE 175 Cb -0.12 -3.69 0.30 0.00 -0.34 0.00 0.00 43.02 39.17 1vln s PHE 175 CO 0.01 -2.01 1.72 -0.92 -1.46 0.00 0.00 175.22 172.56 1vln h TYR 176 N 3.96 0.27 -3.58 10.12 3.20 -1.32 -3.44 116.97 126.19 1vln h TYR 176 Ca -0.48 0.03 -0.52 0.00 3.14 0.00 0.00 58.73 60.91 1vln h TYR 176 Cb 1.22 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1vln h TYR 176 CO 0.57 0.00 0.28 0.00 -1.64 0.00 0.00 178.16 177.37 1vln s ALA 177 N -6.10 3.34 0.54 1.82 0.00 -1.26 -5.03 121.76 115.07 1vln s ALA 177 Ca -0.13 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 1vln s ALA 177 Cb 0.18 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1vln s ALA 177 CO 0.74 0.13 1.20 -2.14 0.00 0.00 0.00 175.76 175.69 1vln s PRO 178 N -0.60 3.28 -0.10 0.00 0.02 -1.26 -4.83 135.00 131.51 1vln s PRO 178 Ca 0.41 1.82 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1vln s PRO 178 Cb -0.23 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 1vln s PRO 178 CO 0.28 -0.96 -0.16 0.08 -0.33 0.00 0.00 177.00 175.92 1vln s VAL 179 N -1.58 2.86 -0.81 3.83 1.01 0.40 -4.92 120.40 121.19 1vln s VAL 179 Ca 0.72 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 1vln s VAL 179 Cb -0.30 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1vln s VAL 179 CO 0.34 0.55 1.21 -2.28 0.00 0.00 0.00 175.10 174.92 1vln s HIS 180 N 0.05 2.57 0.14 5.22 2.46 -1.26 -0.67 115.29 123.80 1vln s HIS 180 Ca -0.06 -0.57 -0.05 0.00 0.47 0.00 0.00 55.06 54.85 1vln s HIS 180 Cb -0.15 -4.50 -0.06 0.00 -0.13 0.00 0.00 32.58 27.74 1vln s HIS 180 CO 0.05 -1.84 1.35 0.97 -2.47 0.00 0.00 174.74 172.79 1vln h ILE 181 N 6.17 1.36 -3.89 0.89 6.09 -1.34 -3.48 117.51 123.31 1vln h ILE 181 Ca -0.11 -2.24 -0.16 0.00 -1.37 0.00 0.00 64.86 60.99 1vln h ILE 181 Cb 1.04 2.22 -0.09 0.00 0.47 0.00 0.00 36.82 40.47 1vln h ILE 181 CO 1.26 0.68 -0.17 -1.66 -3.07 0.00 0.00 178.15 175.19 1vln s TRP 182 N -3.48 0.71 0.09 2.19 1.48 -1.22 -4.84 118.94 113.86 1vln s TRP 182 Ca -0.07 -1.02 -0.26 0.00 -1.06 0.00 0.00 56.10 53.69 1vln s TRP 182 Cb 0.09 0.05 0.08 0.00 -1.16 0.00 0.00 33.47 32.53 1vln s TRP 182 CO 0.87 -1.05 0.84 -2.00 -4.06 0.00 0.00 176.95 171.54 1vln s GLU 183 N -3.53 1.08 -0.03 3.25 2.12 -1.26 -4.82 118.70 115.52 1vln s GLU 183 Ca 0.27 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 1vln s GLU 183 Cb -0.00 0.45 -0.31 0.00 0.26 0.00 0.00 34.13 34.52 1vln s GLU 183 CO 0.14 -0.48 0.74 0.66 -0.54 0.00 0.00 175.26 175.78 1vln h SER 184 N 2.00 0.64 0.71 -1.70 4.64 -2.03 -3.35 113.55 114.46 1vln h SER 184 Ca -0.25 -0.89 -0.02 0.00 -0.47 0.00 0.00 61.79 60.16 1vln h SER 184 Cb 1.25 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1vln h SER 184 CO 0.30 1.74 -0.11 0.77 -0.87 0.00 0.00 176.83 178.66 1vln h SER 185 N 0.11 0.00 -3.16 4.97 4.64 -1.97 -3.45 113.55 114.69 1vln h SER 185 Ca -0.32 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.47 1vln h SER 185 Cb 2.11 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 64.27 1vln h SER 185 CO 0.19 0.11 0.88 0.00 -0.87 0.00 0.00 176.83 177.15 1vln s ALA 186 N -3.86 3.76 -0.04 5.18 0.00 -1.26 -2.62 121.76 122.92 1vln s ALA 186 Ca -0.01 1.50 0.13 0.00 0.00 0.00 0.00 51.96 53.58 1vln s ALA 186 Cb 0.11 -3.64 -0.20 0.00 0.00 0.00 0.00 23.12 19.40 1vln s ALA 186 CO 0.58 -0.90 0.80 -0.24 0.00 0.00 0.00 175.76 176.00 1vln h VAL 187 N 3.57 0.87 -2.80 0.00 3.04 -0.65 -3.44 116.25 116.85 1vln h VAL 187 Ca -0.46 -2.61 -0.14 0.00 -1.01 0.00 0.00 66.70 62.48 1vln h VAL 187 Cb 1.21 2.38 -0.27 0.00 -2.01 0.00 0.00 31.29 32.61 1vln h VAL 187 CO 0.83 0.50 -0.35 -0.69 -1.01 0.00 0.00 177.57 176.85 1vln s VAL 188 N -2.70 -0.02 -0.00 1.51 1.01 -1.13 -4.93 120.40 114.14 1vln s VAL 188 Ca -0.03 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1vln s VAL 188 Cb 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1vln s VAL 188 CO 0.82 0.04 -0.07 0.00 0.00 0.00 0.00 175.10 175.88 1vln s ALA 189 N 1.10 0.58 0.08 5.51 0.00 -1.26 -0.80 121.76 126.97 1vln s ALA 189 Ca -0.07 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 1vln s ALA 189 Cb -0.08 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1vln s ALA 189 CO -0.09 0.13 0.63 -1.54 0.00 0.00 0.00 175.76 174.89 1vln s SER 190 N -0.25 -0.60 0.05 0.00 1.04 -0.87 0.01 113.70 113.09 1vln s SER 190 Ca 0.02 0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 1vln s SER 190 Cb -0.03 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1vln s SER 190 CO -0.00 -0.83 0.04 0.72 0.98 0.00 0.00 173.24 174.14 1vln s PHE 191 N -2.79 0.33 -0.07 5.02 -0.12 -0.19 -1.61 117.98 118.55 1vln s PHE 191 Ca -0.03 -0.74 -0.03 0.00 -0.05 0.00 0.00 56.93 56.07 1vln s PHE 191 Cb -0.01 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1vln s PHE 191 CO -0.04 -0.36 0.16 -2.00 -0.05 0.00 0.00 175.22 172.92 1vln s GLU 192 N -3.08 0.11 0.07 1.99 2.12 0.37 -2.01 118.70 118.27 1vln s GLU 192 Ca -0.01 0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.75 1vln s GLU 192 Cb 0.02 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1vln s GLU 192 CO -0.07 -0.16 -0.14 0.00 -0.54 0.00 0.00 175.26 174.35 1vln s ALA 193 N 1.12 1.18 -0.21 6.30 0.00 -0.08 -1.12 121.76 128.95 1vln s ALA 193 Ca -0.09 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1vln s ALA 193 Cb -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1vln s ALA 193 CO -0.06 0.17 0.55 0.99 0.00 0.00 0.00 175.76 177.41 1vln s THR 194 N -1.26 -0.00 0.07 0.00 2.01 -0.75 -1.55 115.64 114.15 1vln s THR 194 Ca -0.02 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 1vln s THR 194 Cb -0.10 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1vln s THR 194 CO 0.02 0.00 0.36 0.72 -0.69 0.00 0.00 174.62 175.04 1vln s PHE 195 N 0.31 -0.17 -0.04 4.92 -0.71 -0.89 -0.90 117.98 120.51 1vln s PHE 195 Ca -0.00 -0.00 0.07 0.00 -1.04 0.00 0.00 56.93 55.96 1vln s PHE 195 Cb -0.04 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1vln s PHE 195 CO 0.00 -0.59 -0.24 0.95 -1.34 0.00 0.00 175.22 174.01 1vln s THR 196 N -2.97 2.18 0.15 -4.49 -4.23 -1.00 -0.83 115.64 104.45 1vln s THR 196 Ca -0.02 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.47 1vln s THR 196 Cb 0.00 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1vln s THR 196 CO -0.06 0.58 -0.06 0.72 -0.54 0.00 0.00 174.62 175.26 1vln s PHE 197 N -0.46 1.19 -0.31 3.99 -0.71 -0.70 -1.96 117.98 119.02 1vln s PHE 197 Ca 0.05 -0.88 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 1vln s PHE 197 Cb -0.11 -0.65 0.10 0.00 -1.21 0.00 0.00 43.02 41.15 1vln s PHE 197 CO 0.01 -0.06 0.13 -1.17 -1.34 0.00 0.00 175.22 172.79 1vln s LEU 198 N -3.15 1.32 -0.30 -1.99 2.96 -0.59 -1.59 118.68 115.34 1vln s LEU 198 Ca 0.19 -1.55 -0.10 0.00 -0.22 0.00 0.00 54.13 52.45 1vln s LEU 198 Cb 0.04 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 1vln s LEU 198 CO 0.01 -0.41 0.16 -0.63 -1.32 0.00 0.00 176.35 174.15 1vln s ILE 199 N 1.76 4.73 -0.06 6.68 1.01 -1.25 -2.99 121.20 131.08 1vln s ILE 199 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1vln s ILE 199 Cb -0.17 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1vln s ILE 199 CO -0.28 0.11 0.15 -1.59 0.00 0.00 0.00 174.94 173.34 1vln s LYS 200 N 1.64 0.15 -0.10 2.79 -2.85 -1.23 -1.72 119.74 118.42 1vln s LYS 200 Ca 0.05 0.27 0.01 0.00 -1.00 0.00 0.00 55.97 55.30 1vln s LYS 200 Cb -0.17 -0.00 0.02 0.00 -2.06 0.00 0.00 37.83 35.62 1vln s LYS 200 CO 0.07 -0.07 -0.10 -1.54 0.10 0.00 0.00 175.35 173.81 1vln s SER 201 N 0.46 2.10 0.42 0.03 1.04 -1.26 -1.82 113.70 114.67 1vln s SER 201 Ca -0.03 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.17 1vln s SER 201 Cb -0.05 -0.89 0.93 0.00 0.10 0.00 0.00 66.02 66.12 1vln s SER 201 CO -0.02 -0.05 2.04 -0.65 0.98 0.00 0.00 173.24 175.54 1vln h PRO 202 N 7.69 0.47 0.00 4.02 0.11 -1.98 -1.66 132.00 140.64 1vln h PRO 202 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1vln h PRO 202 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1vln h PRO 202 CO 0.45 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 1vln n ASP 203 N -4.48 0.40 -1.53 -2.05 9.92 -1.26 -4.91 116.55 112.64 1vln n ASP 203 Ca 0.05 0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 54.73 1vln n ASP 203 Cb 0.16 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 39.97 1vln n ASP 203 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1vln n SER 204 N -1.89 -4.20 -3.27 -2.24 7.64 -0.63 -4.96 113.62 104.07 1vln n SER 204 Ca 0.05 -0.01 -0.24 0.00 1.01 0.00 0.00 58.87 59.68 1vln n SER 204 Cb 0.32 -3.37 -0.08 0.00 -1.01 0.00 0.00 64.21 60.07 1vln n SER 204 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1vln n HIS 205 N -3.98 -0.93 -1.66 1.43 -0.00 -1.26 -5.07 115.22 103.75 1vln n HIS 205 Ca -0.16 -3.27 -0.31 0.00 -0.00 0.00 0.00 57.72 53.98 1vln n HIS 205 Cb 0.62 0.13 0.04 0.00 -0.00 0.00 0.00 29.99 30.78 1vln n HIS 205 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1vln s PRO 206 N -0.35 2.97 -0.29 1.57 0.04 -1.26 -4.26 135.00 133.43 1vln s PRO 206 Ca 0.34 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1vln s PRO 206 Cb 0.09 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.81 1vln s PRO 206 CO -0.16 -1.08 1.33 0.00 0.04 0.00 0.00 177.00 177.13 1vln s ALA 207 N -2.89 -2.15 0.00 8.56 0.00 -1.25 -4.40 121.76 119.64 1vln s ALA 207 Ca 0.60 1.74 0.00 0.00 0.00 0.00 0.00 51.96 54.30 1vln s ALA 207 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1vln s ALA 207 CO 0.51 -0.15 0.00 -0.25 0.00 0.00 0.00 175.76 175.87 1vln n ASP 208 N 1.58 4.06 0.00 0.00 8.00 -0.61 -3.05 116.55 126.53 1vln n ASP 208 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1vln n ASP 208 Cb 0.57 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.30 1vln n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vln n GLY 209 N 2.25 0.98 3.33 0.44 0.00 -1.24 -1.79 105.19 109.16 1vln n GLY 209 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1vln n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vln s ILE 210 N -1.57 1.87 -0.11 -0.61 1.01 -0.41 -3.00 121.20 118.37 1vln s ILE 210 Ca 0.00 -1.78 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 1vln s ILE 210 Cb 0.00 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.73 1vln s ILE 210 CO 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 174.94 175.04 1vln s ALA 211 N -1.62 -0.65 -0.16 9.38 0.00 0.90 0.15 121.76 129.75 1vln s ALA 211 Ca 0.13 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1vln s ALA 211 Cb -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1vln s ALA 211 CO 0.06 -0.17 0.33 0.12 0.00 0.00 0.00 175.76 176.10 1vln s PHE 212 N 0.78 3.45 0.14 0.00 5.36 -1.00 -0.57 117.98 126.14 1vln s PHE 212 Ca -0.05 0.62 0.01 0.00 -0.96 0.00 0.00 56.93 56.56 1vln s PHE 212 Cb -0.06 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1vln s PHE 212 CO -0.05 0.18 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.29 1vln s PHE 213 N 0.66 1.04 -0.07 10.12 -0.71 -0.59 -1.73 117.98 126.69 1vln s PHE 213 Ca 0.18 -1.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.08 1vln s PHE 213 Cb -0.14 -0.60 0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1vln s PHE 213 CO 0.05 -0.24 -0.16 0.42 -1.34 0.00 0.00 175.22 173.96 1vln s ILE 214 N -3.70 1.43 0.30 -4.49 1.01 -0.54 -0.77 121.20 114.44 1vln s ILE 214 Ca 0.20 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1vln s ILE 214 Cb 0.06 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1vln s ILE 214 CO 0.00 0.42 0.32 -0.94 0.00 0.00 0.00 174.94 174.74 1vln s SER 215 N 0.51 1.04 0.53 3.58 1.04 -0.36 -1.83 113.70 118.21 1vln s SER 215 Ca -0.15 -1.56 -0.21 0.00 0.48 0.00 0.00 55.95 54.52 1vln s SER 215 Cb -0.16 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 1vln s SER 215 CO 0.05 -1.09 1.19 0.54 0.98 0.00 0.00 173.24 174.91 1vln s ASN 216 N -3.27 5.64 0.35 7.02 4.22 -1.23 -0.85 114.94 126.83 1vln s ASN 216 Ca 0.36 2.35 0.16 0.00 -2.14 0.00 0.00 52.86 53.59 1vln s ASN 216 Cb 0.02 -2.60 1.08 0.00 1.28 0.00 0.00 41.25 41.04 1vln s ASN 216 CO 0.21 -1.28 1.69 0.40 -2.04 0.00 0.00 177.10 176.08 1vln h ILE 217 N 1.34 0.36 -0.45 0.54 2.04 -1.83 -2.31 117.51 117.20 1vln h ILE 217 Ca -0.50 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1vln h ILE 217 Cb 1.27 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1vln h ILE 217 CO 0.57 0.07 0.08 -0.90 0.00 0.00 0.00 178.15 177.97 1vln n ASP 218 N -4.93 4.21 -4.77 1.72 5.75 -1.26 -4.85 116.55 112.42 1vln n ASP 218 Ca 0.31 -2.73 -0.39 0.00 -0.01 0.00 0.00 54.79 51.96 1vln n ASP 218 Cb 0.97 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1vln n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1vln s SER 219 N -0.56 6.19 0.15 -1.12 0.15 -0.87 -5.04 113.70 112.61 1vln s SER 219 Ca 0.39 2.69 -0.01 0.00 0.70 0.00 0.00 55.95 59.72 1vln s SER 219 Cb 0.30 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1vln s SER 219 CO 0.11 -0.93 0.07 -0.94 1.20 0.00 0.00 173.24 172.74 1vln s SER 220 N -0.73 0.39 0.04 5.45 1.04 -1.26 -5.08 113.70 113.55 1vln s SER 220 Ca 0.58 -1.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 1vln s SER 220 Cb -0.39 0.29 -0.07 0.00 0.10 0.00 0.00 66.02 65.95 1vln s SER 220 CO 0.50 -0.74 1.62 -0.63 0.98 0.00 0.00 173.24 174.97 1vln s ILE 221 N -4.02 3.23 0.51 -1.02 1.01 -1.26 -4.98 121.20 114.66 1vln s ILE 221 Ca 0.28 0.61 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 1vln s ILE 221 Cb 0.07 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 1vln s ILE 221 CO 0.05 -0.01 1.12 -2.84 0.00 0.00 0.00 174.94 173.26 1vln s PRO 222 N 2.87 3.56 0.35 2.79 0.02 -1.26 -4.99 135.00 138.35 1vln s PRO 222 Ca 0.73 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 63.09 1vln s PRO 222 Cb -0.37 -2.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.89 1vln s PRO 222 CO 0.31 -0.68 1.23 -1.12 -0.33 0.00 0.00 177.00 176.41 1vln s SER 223 N -1.67 6.73 0.00 2.53 0.01 -1.26 -2.79 113.70 117.25 1vln s SER 223 Ca 0.69 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1vln s SER 223 Cb -0.24 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1vln s SER 223 CO 0.28 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1vln n GLY 224 N 0.81 0.49 0.87 3.44 0.00 -1.26 -4.83 105.19 104.70 1vln n GLY 224 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vln n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vln n SER 225 N -0.18 2.17 -4.82 1.61 3.41 -1.12 -4.88 113.62 109.81 1vln n SER 225 Ca 0.00 -2.20 -0.31 0.00 -0.26 0.00 0.00 58.87 56.10 1vln n SER 225 Cb 0.09 -0.54 0.05 0.00 -0.26 0.00 0.00 64.21 63.55 1vln n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1vln s THR 226 N -1.15 4.00 0.00 6.66 -4.23 -1.26 -0.97 115.64 118.68 1vln s THR 226 Ca 0.10 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1vln s THR 226 Cb 0.08 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1vln s THR 226 CO 0.03 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 1vln n GLY 227 N -2.02 2.15 0.08 3.99 0.00 -1.19 -3.54 105.19 104.67 1vln n GLY 227 Ca 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1vln n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vln n ARG 228 N 12.98 0.07 -0.13 1.61 1.85 -1.26 -1.79 116.66 129.99 1vln n ARG 228 Ca 0.00 0.55 0.10 0.00 -1.00 0.00 0.00 57.85 57.49 1vln n ARG 228 Cb 0.00 -1.77 0.30 0.00 -1.05 0.00 0.00 32.46 29.95 1vln n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1vln n LEU 229 N -1.85 2.06 -1.30 2.89 4.77 -1.23 -4.94 117.00 117.40 1vln n LEU 229 Ca -0.01 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.98 1vln n LEU 229 Cb 0.06 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1vln n LEU 229 CO 0.05 0.46 -0.08 0.18 -1.33 0.00 0.00 177.39 176.66 1vln n LEU 230 N 0.59 -0.59 -1.51 2.23 4.77 -0.74 -1.15 117.00 120.59 1vln n LEU 230 Ca 0.16 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1vln n LEU 230 Cb 0.37 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 1vln n LEU 230 CO 0.12 -0.40 -0.17 0.61 -1.33 0.00 0.00 177.39 176.22 1vln n GLY 231 N -0.18 0.17 0.00 -0.72 0.00 -0.14 -4.21 105.19 100.10 1vln n GLY 231 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1vln n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vln n LEU 232 N -1.96 0.96 -4.49 0.99 4.77 -0.30 -4.59 117.00 112.38 1vln n LEU 232 Ca -0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.52 1vln n LEU 232 Cb 0.59 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 1vln n LEU 232 CO 0.20 0.16 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.57 1vln s PHE 233 N -1.81 2.55 0.12 -1.77 0.08 -1.15 -4.86 117.98 111.14 1vln s PHE 233 Ca 0.00 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1vln s PHE 233 Cb 0.00 -1.37 -0.15 0.00 -0.57 0.00 0.00 43.02 40.93 1vln s PHE 233 CO 0.00 0.36 1.26 -1.00 -0.10 0.00 0.00 175.22 175.75 1vln h PRO 234 N 3.89 0.26 -4.83 0.24 0.13 -1.92 -3.40 132.00 126.37 1vln h PRO 234 Ca -0.49 -0.34 -0.33 0.00 -0.87 0.00 0.00 66.00 63.97 1vln h PRO 234 Cb 1.17 0.11 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1vln h PRO 234 CO 0.47 1.09 -0.62 0.16 -0.23 0.00 0.00 178.00 178.87 1vln s ASP 235 N -7.03 0.97 -0.32 1.44 1.47 -1.26 -4.76 116.67 107.18 1vln s ASP 235 Ca -0.04 -1.39 0.01 0.00 1.18 0.00 0.00 52.55 52.32 1vln s ASP 235 Cb 0.09 0.21 0.37 0.00 -0.34 0.00 0.00 42.92 43.24 1vln s ASP 235 CO 0.86 -0.76 1.71 0.00 0.68 0.00 0.00 175.17 177.66 1vln n ALA 236 N -0.42 4.74 1.03 2.11 0.00 -1.26 -4.77 120.51 121.93 1vln n ALA 236 Ca 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 53.44 51.67 1vln n ALA 236 Cb 0.66 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.89 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59