#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 6.30 -0.27 0.00 1.01 -1.26 -5.07 116.67 117.38 1vln s ASP 2 Ca 0.00 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.63 1vln s ASP 2 Cb 0.00 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1vln s ASP 2 CO 0.00 -0.29 0.08 -0.89 0.21 0.00 0.00 175.17 174.28 1vln s THR 3 N -2.31 4.23 -0.11 -1.27 2.01 -1.26 -5.02 115.64 111.91 1vln s THR 3 Ca 0.40 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1vln s THR 3 Cb -0.10 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.37 1vln s THR 3 CO 0.36 0.25 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.69 1vln s ILE 4 N 1.58 1.89 -0.13 1.82 -1.09 -1.26 -3.57 121.20 120.45 1vln s ILE 4 Ca 0.05 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 1vln s ILE 4 Cb -0.16 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.08 1vln s ILE 4 CO 0.03 0.52 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.38 1vln s VAL 5 N 0.58 1.84 0.08 2.92 1.01 -0.83 -0.06 120.40 125.94 1vln s VAL 5 Ca -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1vln s VAL 5 Cb -0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1vln s VAL 5 CO 0.04 0.51 0.09 0.00 0.00 0.00 0.00 175.10 175.74 1vln s ALA 6 N 0.93 0.24 -0.26 5.51 0.00 0.12 -0.89 121.76 127.41 1vln s ALA 6 Ca -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1vln s ALA 6 Cb -0.15 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.50 1vln s ALA 6 CO -0.03 -0.46 -0.09 0.08 0.00 0.00 0.00 175.76 175.26 1vln s VAL 7 N -3.92 2.05 0.13 0.00 1.01 -0.46 -0.72 120.40 118.49 1vln s VAL 7 Ca 0.09 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1vln s VAL 7 Cb 0.06 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1vln s VAL 7 CO -0.08 -0.08 0.40 -1.83 0.00 0.00 0.00 175.10 173.51 1vln s GLU 8 N 1.14 3.68 -0.69 2.72 -1.05 -0.09 -1.82 118.70 122.60 1vln s GLU 8 Ca -0.07 0.03 0.04 0.00 -0.15 0.00 0.00 54.97 54.81 1vln s GLU 8 Cb -0.20 -2.88 0.17 0.00 -0.44 0.00 0.00 34.13 30.78 1vln s GLU 8 CO -0.05 0.49 0.49 -0.51 0.95 0.00 0.00 175.26 176.62 1vln s LEU 9 N -2.42 4.84 -0.54 1.83 1.02 0.21 -1.55 118.68 122.07 1vln s LEU 9 Ca 0.39 -3.68 -0.24 0.00 0.02 0.00 0.00 54.13 50.62 1vln s LEU 9 Cb -0.13 -1.68 0.04 0.00 0.02 0.00 0.00 46.19 44.45 1vln s LEU 9 CO 0.22 -0.13 0.92 -0.62 0.02 0.00 0.00 176.35 176.76 1vln s ASP 10 N -1.07 6.35 0.00 2.29 -1.08 0.40 -1.88 116.67 121.68 1vln s ASP 10 Ca 0.24 -0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.23 1vln s ASP 10 Cb -0.09 -2.43 1.24 0.00 -1.46 0.00 0.00 42.92 40.19 1vln s ASP 10 CO -0.13 -1.18 1.88 0.35 0.52 0.00 0.00 175.17 176.60 1vln n THR 11 N 6.18 0.00 -4.15 1.71 -2.24 -1.04 -1.15 114.28 113.60 1vln n THR 11 Ca 0.02 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 1vln n THR 11 Cb 0.47 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.38 1vln n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1vln s TYR 12 N -2.54 0.61 -0.62 4.78 5.04 -1.25 -4.57 117.35 118.80 1vln s TYR 12 Ca 0.27 -0.14 -0.24 0.00 -2.44 0.00 0.00 57.07 54.53 1vln s TYR 12 Cb 0.20 -0.52 0.05 0.00 0.35 0.00 0.00 41.96 42.04 1vln s TYR 12 CO 0.48 -0.12 0.98 -1.25 -1.34 0.00 0.00 175.55 174.31 1vln s PRO 13 N 0.58 3.22 -1.14 4.97 0.04 -1.26 -4.94 135.00 136.46 1vln s PRO 13 Ca -0.07 -0.51 -0.09 0.00 0.04 0.00 0.00 61.00 60.37 1vln s PRO 13 Cb -0.11 -4.14 0.26 0.00 0.04 0.00 0.00 34.50 30.55 1vln s PRO 13 CO -0.00 -1.70 1.32 0.09 0.04 0.00 0.00 177.00 176.76 1vln n ASN 14 N 7.76 5.63 0.33 6.66 4.13 -1.26 -4.82 115.26 133.69 1vln n ASN 14 Ca -0.01 -3.11 0.22 0.00 1.68 0.00 0.00 54.58 53.36 1vln n ASN 14 Cb 0.47 -1.40 1.19 0.00 -1.54 0.00 0.00 39.78 38.49 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 3.80 0.01 0.00 3.41 1.35 -1.86 -1.90 112.91 117.72 1vln h THR 15 Ca 0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1vln h THR 15 Cb 0.80 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1vln h THR 15 CO 1.18 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.55 1vln n ASP 16 N -3.10 0.00 -0.20 5.36 5.75 -1.26 -2.26 116.55 120.83 1vln n ASP 16 Ca -0.03 -0.14 0.03 0.00 -0.01 0.00 0.00 54.79 54.65 1vln n ASP 16 Cb 0.09 -0.21 0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1vln n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1vln n ILE 17 N -1.21 0.78 0.00 2.12 -5.35 -0.74 -5.00 119.36 109.95 1vln n ILE 17 Ca 0.10 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1vln n ILE 17 Cb 0.13 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.56 2.84 3.66 3.28 0.00 -0.96 -4.69 105.19 108.76 1vln n GLY 18 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 1vln n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vln n ASP 19 N 0.00 2.96 -4.70 1.61 9.92 -1.03 -4.93 116.55 120.38 1vln n ASP 19 Ca 0.00 1.08 -0.30 0.00 -0.53 0.00 0.00 54.79 55.04 1vln n ASP 19 Cb 0.00 -1.40 0.15 0.00 -0.64 0.00 0.00 41.12 39.23 1vln n ASP 19 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1vln s PRO 20 N 1.11 1.20 -1.48 -0.24 0.04 -1.26 -3.82 135.00 130.55 1vln s PRO 20 Ca 0.80 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 1vln s PRO 20 Cb -0.71 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1vln s PRO 20 CO 0.40 -2.34 2.36 0.45 0.04 0.00 0.00 177.00 177.91 1vln n SER 21 N -3.98 5.20 0.00 6.66 2.88 -1.26 -4.66 113.62 118.45 1vln n SER 21 Ca 0.08 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1vln n SER 21 Cb 0.54 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1vln n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vln n TYR 22 N 5.19 0.00 -1.67 0.66 0.18 -1.26 -5.06 117.16 115.20 1vln n TYR 22 Ca 0.57 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.96 1vln n TYR 22 Cb 0.35 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.35 1vln n TYR 22 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1vln n PRO 23 N -0.48 1.27 -3.98 -3.48 -0.02 -1.26 -4.64 135.00 122.40 1vln n PRO 23 Ca 0.00 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1vln n PRO 23 Cb 0.00 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 1vln n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1vln s HIS 24 N -1.39 0.31 -0.08 6.00 -3.43 -0.30 -1.67 115.29 114.73 1vln s HIS 24 Ca 0.73 -0.68 0.04 0.00 -0.80 0.00 0.00 55.06 54.35 1vln s HIS 24 Cb -0.44 0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 30.96 1vln s HIS 24 CO 0.49 -1.03 -0.22 -1.50 -2.00 0.00 0.00 174.74 170.48 1vln s ILE 25 N -3.97 2.31 0.15 -5.38 2.07 -0.62 -0.46 121.20 115.31 1vln s ILE 25 Ca 0.21 -0.96 -0.08 0.00 -1.41 0.00 0.00 60.65 58.41 1vln s ILE 25 Cb -0.01 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.69 1vln s ILE 25 CO 0.09 0.56 0.25 -0.83 -1.91 0.00 0.00 174.94 173.10 1vln s GLY 26 N 0.01 0.48 -0.27 1.50 0.00 -0.60 -0.92 107.32 107.53 1vln s GLY 26 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1vln s GLY 26 CO 0.05 -0.88 -0.01 -0.42 0.00 0.00 0.00 173.10 171.84 1vln s ILE 27 N -3.96 3.21 -0.28 0.90 1.01 -0.77 -0.91 121.20 120.40 1vln s ILE 27 Ca 0.16 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1vln s ILE 27 Cb 0.04 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1vln s ILE 27 CO -0.01 0.13 0.15 -1.81 0.00 0.00 0.00 174.94 173.39 1vln s ASP 28 N 1.37 5.67 -0.43 3.58 1.01 0.11 -0.53 116.67 127.45 1vln s ASP 28 Ca 0.00 -0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.10 1vln s ASP 28 Cb -0.17 -2.04 0.12 0.00 1.01 0.00 0.00 42.92 41.83 1vln s ASP 28 CO -0.02 -0.07 0.20 -0.63 0.21 0.00 0.00 175.17 174.86 1vln s ILE 29 N 1.69 3.09 0.00 0.77 -1.09 -1.26 -0.70 121.20 123.70 1vln s ILE 29 Ca 0.07 -2.31 0.00 0.00 -2.23 0.00 0.00 60.65 56.18 1vln s ILE 29 Cb -0.16 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1vln s ILE 29 CO 0.08 -0.70 0.00 0.29 -1.23 0.00 0.00 174.94 173.38 1vln n LYS 30 N 4.30 -0.16 -4.00 2.79 5.02 0.91 -4.92 118.16 122.10 1vln n LYS 30 Ca 0.01 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 1vln n LYS 30 Cb 0.40 -4.30 -0.10 0.00 -0.02 0.00 0.00 35.03 31.01 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 -2.11 0.29 0.45 4.39 0.15 -1.26 -4.92 113.70 110.69 1vln s SER 31 Ca 0.00 -0.63 0.24 0.00 0.70 0.00 0.00 55.95 56.26 1vln s SER 31 Cb 0.00 0.15 0.52 0.00 -1.71 0.00 0.00 66.02 64.98 1vln s SER 31 CO 0.00 -0.41 1.67 1.62 1.20 0.00 0.00 173.24 177.32 1vln h VAL 32 N 4.09 0.06 -2.59 4.45 3.04 -1.85 -3.41 116.25 120.05 1vln h VAL 32 Ca -0.33 -0.99 -0.56 0.00 -1.01 0.00 0.00 66.70 63.82 1vln h VAL 32 Cb 1.19 1.93 -0.09 0.00 -2.01 0.00 0.00 31.29 32.31 1vln h VAL 32 CO 0.49 0.03 0.95 -0.13 -1.01 0.00 0.00 177.57 177.91 1vln s ARG 33 N -3.29 3.24 0.44 4.17 0.52 -1.26 -4.97 118.95 117.81 1vln s ARG 33 Ca 0.06 -0.23 -0.21 0.00 -0.52 0.00 0.00 55.73 54.82 1vln s ARG 33 Cb 0.06 -4.15 -0.13 0.00 0.52 0.00 0.00 34.95 31.25 1vln s ARG 33 CO 0.65 -1.99 0.37 0.43 0.02 0.00 0.00 175.30 174.79 1vln n SER 34 N 8.89 -1.63 0.09 0.23 7.64 -1.26 -4.83 113.62 122.75 1vln n SER 34 Ca 0.03 0.85 -0.13 0.00 1.01 0.00 0.00 58.87 60.63 1vln n SER 34 Cb 0.48 -1.04 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 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 0.55 0.18 -2.43 1.43 1.79 -1.17 -3.46 116.57 113.46 1vln h LYS 35 Ca -0.40 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 57.69 1vln h LYS 35 Cb 1.42 0.11 -0.21 0.00 -1.58 0.00 0.00 32.23 31.96 1vln h LYS 35 CO 0.49 1.13 -0.05 0.21 -1.08 0.00 0.00 179.45 180.15 1vln s LYS 36 N -2.73 0.74 0.27 3.15 2.20 -1.25 -5.02 119.74 117.10 1vln s LYS 36 Ca -0.02 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 1vln s LYS 36 Cb 0.08 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1vln s LYS 36 CO 0.86 -0.15 0.14 0.95 -0.36 0.00 0.00 175.35 176.79 1vln s THR 37 N -0.33 0.31 -0.02 3.43 -4.23 -1.26 -1.85 115.64 111.68 1vln s THR 37 Ca -0.05 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.32 1vln s THR 37 Cb -0.03 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1vln s THR 37 CO 0.03 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.42 1vln s ALA 38 N -3.77 -0.77 0.26 3.99 0.00 -0.10 -4.97 121.76 116.40 1vln s ALA 38 Ca 0.37 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1vln s ALA 38 Cb 0.06 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1vln s ALA 38 CO 0.16 -0.25 1.28 0.21 0.00 0.00 0.00 175.76 177.15 1vln s LYS 39 N -1.23 4.41 -0.21 0.00 2.20 -1.26 -1.59 119.74 122.07 1vln s LYS 39 Ca -0.13 2.08 -0.00 0.00 -0.36 0.00 0.00 55.97 57.56 1vln s LYS 39 Cb -0.05 -3.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1vln s LYS 39 CO 0.04 -0.16 -0.05 -0.46 -0.36 0.00 0.00 175.35 174.36 1vln s TRP 40 N -0.51 2.03 -1.31 4.03 -0.00 -0.67 -4.79 118.94 117.72 1vln s TRP 40 Ca 0.52 -1.44 -0.18 0.00 -0.00 0.00 0.00 56.10 55.01 1vln s TRP 40 Cb -0.37 -1.44 0.04 0.00 -0.00 0.00 0.00 33.47 31.70 1vln s TRP 40 CO 0.44 -0.71 1.86 0.09 -0.00 0.00 0.00 176.95 178.63 1vln n ASN 41 N 4.78 4.50 -4.74 5.86 5.03 -1.26 -4.42 115.26 125.00 1vln n ASN 41 Ca -0.12 -2.88 -0.40 0.00 0.87 0.00 0.00 54.58 52.05 1vln n ASN 41 Cb 0.46 -1.71 0.02 0.00 -1.02 0.00 0.00 39.78 37.53 1vln n ASN 41 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1vln n MET 42 N 7.87 1.99 -3.97 3.52 1.56 -1.26 -4.99 117.12 121.84 1vln n MET 42 Ca 0.49 0.72 -0.33 0.00 -0.27 0.00 0.00 57.70 58.31 1vln n MET 42 Cb 0.44 -2.55 -0.14 0.00 2.15 0.00 0.00 33.22 33.12 1vln n MET 42 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1vln s GLN 43 N -2.52 1.84 0.09 2.12 -0.21 -1.26 -5.09 119.66 114.62 1vln s GLN 43 Ca 0.64 -1.69 -0.33 0.00 0.02 0.00 0.00 55.36 54.00 1vln s GLN 43 Cb -0.45 -3.21 -0.12 0.00 1.00 0.00 0.00 33.01 30.23 1vln s GLN 43 CO 0.55 -0.86 1.77 -1.71 -2.12 0.00 0.00 175.29 172.93 1vln n ASN 44 N 4.39 3.63 0.00 5.90 2.85 -1.26 -2.18 115.26 128.59 1vln n ASN 44 Ca -0.03 1.01 0.00 0.00 -0.11 0.00 0.00 54.58 55.46 1vln n ASN 44 Cb 0.42 -1.47 0.00 0.00 1.24 0.00 0.00 39.78 39.97 1vln n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vln n GLY 45 N 4.03 1.29 3.82 8.20 0.00 -0.40 -5.00 105.19 117.13 1vln n GLY 45 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.53 3.15 -0.09 1.61 -0.14 -0.92 -4.91 119.74 117.90 1vln s LYS 46 Ca 0.00 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 1vln s LYS 46 Cb 0.00 -2.90 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 1vln s LYS 46 CO 0.00 0.63 1.02 0.08 -0.76 0.00 0.00 175.35 176.32 1vln s VAL 47 N -1.30 4.76 0.48 3.17 1.01 -1.26 -4.19 120.40 123.07 1vln s VAL 47 Ca 0.27 2.02 0.04 0.00 0.00 0.00 0.00 61.98 64.31 1vln s VAL 47 Cb -0.12 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1vln s VAL 47 CO 0.18 0.02 0.14 -0.83 0.00 0.00 0.00 175.10 174.62 1vln s GLY 48 N 1.11 2.65 -0.00 4.51 0.00 -0.50 -4.66 107.32 110.43 1vln s GLY 48 Ca 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1vln s GLY 48 CO 0.20 -2.06 -0.01 -1.59 0.00 0.00 0.00 173.10 169.64 1vln s THR 49 N -2.77 0.09 0.04 0.90 2.01 -0.07 -1.45 115.64 114.39 1vln s THR 49 Ca 0.24 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.27 1vln s THR 49 Cb 0.02 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.42 1vln s THR 49 CO 0.14 0.03 -0.22 0.00 -0.69 0.00 0.00 174.62 173.88 1vln s ALA 50 N -0.01 1.83 -0.06 7.40 0.00 -0.34 -1.26 121.76 129.32 1vln s ALA 50 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1vln s ALA 50 Cb -0.01 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1vln s ALA 50 CO -0.00 0.42 -0.04 -1.01 0.00 0.00 0.00 175.76 175.12 1vln s HIS 51 N -0.79 0.84 -0.09 0.00 3.76 -0.87 -2.06 115.29 116.07 1vln s HIS 51 Ca 0.08 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 1vln s HIS 51 Cb -0.09 -0.77 -0.01 0.00 1.11 0.00 0.00 32.58 32.83 1vln s HIS 51 CO 0.02 -0.25 -0.22 0.42 -0.85 0.00 0.00 174.74 173.86 1vln s ILE 52 N 1.19 2.27 0.07 0.60 1.09 -0.11 -2.48 121.20 123.84 1vln s ILE 52 Ca -0.07 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.57 1vln s ILE 52 Cb -0.14 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.36 1vln s ILE 52 CO -0.01 0.56 -0.12 0.27 -0.10 0.00 0.00 174.94 175.53 1vln s ILE 53 N 0.20 0.96 -0.19 2.92 -4.36 -0.86 -1.26 121.20 118.62 1vln s ILE 53 Ca -0.13 -1.34 -0.28 0.00 -0.26 0.00 0.00 60.65 58.64 1vln s ILE 53 Cb -0.16 -1.05 0.09 0.00 1.25 0.00 0.00 42.46 42.59 1vln s ILE 53 CO 0.07 -0.34 0.83 -0.47 0.24 0.00 0.00 174.94 175.27 1vln s TYR 54 N -1.58 -0.60 -0.02 1.37 6.14 -0.96 -2.26 117.35 119.44 1vln s TYR 54 Ca -0.02 1.28 -0.10 0.00 0.64 0.00 0.00 57.07 58.87 1vln s TYR 54 Cb -0.08 0.37 0.01 0.00 0.42 0.00 0.00 41.96 42.68 1vln s TYR 54 CO 0.01 -0.41 0.22 0.54 0.64 0.00 0.00 175.55 176.56 1vln s ASN 55 N -0.41 -0.11 0.16 4.32 2.20 -1.26 -1.61 114.94 118.24 1vln s ASN 55 Ca -0.03 0.03 0.21 0.00 -0.94 0.00 0.00 52.86 52.13 1vln s ASN 55 Cb -0.03 0.30 0.86 0.00 -2.00 0.00 0.00 41.25 40.38 1vln s ASN 55 CO 0.02 -0.35 1.64 -1.54 -2.94 0.00 0.00 177.10 173.93 1vln n SER 56 N 1.65 0.43 0.11 3.54 3.41 0.66 -1.12 113.62 122.29 1vln n SER 56 Ca -0.21 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1vln n SER 56 Cb 0.56 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.47 0.02 -3.33 2.07 -1.89 -3.37 116.25 110.21 1vln h VAL 57 Ca 0.00 -0.89 -0.24 0.00 0.82 0.00 0.00 66.70 66.40 1vln h VAL 57 Cb 0.35 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1vln h VAL 57 CO 0.00 0.12 -1.20 0.44 0.02 0.00 0.00 177.57 176.94 1vln h ASP 58 N -0.98 0.06 -5.79 0.57 3.32 -1.98 -3.48 116.42 108.14 1vln h ASP 58 Ca -0.04 -0.07 -0.38 0.00 0.02 0.00 0.00 57.03 56.56 1vln h ASP 58 Cb 0.47 -0.02 0.15 0.00 0.22 0.00 0.00 39.33 40.14 1vln h ASP 58 CO 0.06 1.06 -0.71 0.29 -1.72 0.00 0.00 179.24 178.21 1vln n LYS 59 N -3.31 -7.47 -4.73 3.56 5.02 -0.28 -4.93 118.16 106.03 1vln n LYS 59 Ca -0.05 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 56.81 1vln n LYS 59 Cb 0.98 -5.87 -0.16 0.00 -0.02 0.00 0.00 35.03 29.96 1vln n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vln s ARG 60 N -6.00 1.81 -0.26 1.97 3.52 -1.26 -0.66 118.95 118.07 1vln s ARG 60 Ca 0.39 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1vln s ARG 60 Cb -0.17 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 1vln s ARG 60 CO 0.73 0.13 0.13 -1.17 -0.81 0.00 0.00 175.30 174.31 1vln s LEU 61 N 0.36 3.72 0.20 -0.88 2.96 0.14 -4.24 118.68 120.94 1vln s LEU 61 Ca -0.10 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.80 1vln s LEU 61 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1vln s LEU 61 CO 0.03 -0.04 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.39 1vln s SER 62 N 1.65 3.09 -0.07 3.68 0.01 -0.96 -0.33 113.70 120.78 1vln s SER 62 Ca 0.07 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 1vln s SER 62 Cb -0.15 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1vln s SER 62 CO 0.07 0.02 0.28 0.00 0.41 0.00 0.00 173.24 174.02 1vln s ALA 63 N -2.09 -0.70 -0.03 1.44 0.00 -0.64 -2.03 121.76 117.72 1vln s ALA 63 Ca 0.21 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1vln s ALA 63 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1vln s ALA 63 CO 0.09 -0.18 -0.10 0.08 0.00 0.00 0.00 175.76 175.65 1vln s VAL 64 N -0.47 0.88 -0.06 0.00 1.01 -1.03 -2.07 120.40 118.65 1vln s VAL 64 Ca -0.06 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1vln s VAL 64 Cb -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1vln s VAL 64 CO 0.02 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1vln s VAL 65 N 0.20 1.24 0.27 2.92 1.01 -0.16 -2.05 120.40 123.83 1vln s VAL 65 Ca -0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1vln s VAL 65 Cb -0.09 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1vln s VAL 65 CO 0.01 0.37 0.48 -0.94 0.00 0.00 0.00 175.10 175.02 1vln s SER 66 N 0.48 0.13 0.01 3.32 1.04 -0.39 -1.20 113.70 117.09 1vln s SER 66 Ca -0.12 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.27 1vln s SER 66 Cb -0.15 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1vln s SER 66 CO 0.04 -1.19 -0.11 -0.31 0.98 0.00 0.00 173.24 172.65 1vln s TYR 67 N -3.72 0.94 0.28 5.02 2.02 -1.26 -0.89 117.35 119.74 1vln s TYR 67 Ca 0.24 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.39 1vln s TYR 67 Cb -0.01 -0.59 -0.13 0.00 -0.40 0.00 0.00 41.96 40.84 1vln s TYR 67 CO 0.12 -0.01 1.44 -2.30 -1.57 0.00 0.00 175.55 173.22 1vln n PRO 68 N 2.43 2.25 -1.07 -1.71 -0.02 -1.26 -2.05 135.00 133.57 1vln n PRO 68 Ca -0.16 0.80 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1vln n PRO 68 Cb 0.56 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1vln n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vln n ASN 69 N 1.83 -4.70 -4.71 2.55 4.13 -1.26 -4.98 115.26 108.11 1vln n ASN 69 Ca 0.09 0.06 -0.32 0.00 1.68 0.00 0.00 54.58 56.08 1vln n ASN 69 Cb 0.34 -2.41 -0.08 0.00 -1.54 0.00 0.00 39.78 36.09 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vln s ALA 70 N -1.61 4.02 0.99 5.41 0.00 -0.87 -5.14 121.76 124.56 1vln s ALA 70 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 1vln s ALA 70 Cb 0.00 0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.39 1vln s ALA 70 CO 0.00 -0.04 1.17 -0.51 0.00 0.00 0.00 175.76 176.38 1vln s ASP 71 N -3.86 2.82 0.22 0.00 1.01 -1.26 -4.74 116.67 110.87 1vln s ASP 71 Ca 0.07 0.72 0.12 0.00 0.71 0.00 0.00 52.55 54.17 1vln s ASP 71 Cb 0.02 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.81 1vln s ASP 71 CO 0.04 -2.96 -0.22 -0.44 0.21 0.00 0.00 175.17 171.80 1vln s SER 72 N -4.20 3.51 -0.12 0.27 0.01 -1.26 -4.25 113.70 107.66 1vln s SER 72 Ca 0.68 -0.91 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 1vln s SER 72 Cb -0.11 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1vln s SER 72 CO 0.54 0.09 -0.12 0.00 0.41 0.00 0.00 173.24 174.16 1vln s ALA 73 N -1.94 2.67 0.03 1.44 0.00 -0.34 -4.95 121.76 118.67 1vln s ALA 73 Ca 0.24 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1vln s ALA 73 Cb -0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1vln s ALA 73 CO 0.12 0.29 -0.21 0.99 0.00 0.00 0.00 175.76 176.95 1vln s THR 74 N 0.19 1.69 -0.13 0.00 2.01 -1.26 -0.99 115.64 117.15 1vln s THR 74 Ca -0.07 -1.13 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 1vln s THR 74 Cb -0.15 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 70.95 1vln s THR 74 CO 0.05 0.29 0.35 0.54 -0.69 0.00 0.00 174.62 175.16 1vln s VAL 75 N -0.71 -0.01 0.06 3.82 0.11 -0.88 -4.72 120.40 118.07 1vln s VAL 75 Ca 0.08 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1vln s VAL 75 Cb -0.09 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1vln s VAL 75 CO 0.01 0.01 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.28 1vln s SER 76 N 0.48 0.91 -0.12 3.54 0.01 -1.26 -1.62 113.70 115.63 1vln s SER 76 Ca -0.02 -0.69 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 1vln s SER 76 Cb -0.04 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.29 1vln s SER 76 CO -0.02 -0.29 0.30 -0.47 0.41 0.00 0.00 173.24 173.16 1vln s TYR 77 N -2.08 -0.40 -0.43 2.43 5.04 0.56 -4.92 117.35 117.54 1vln s TYR 77 Ca -0.04 0.92 -0.28 0.00 -2.44 0.00 0.00 57.07 55.23 1vln s TYR 77 Cb -0.05 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.40 1vln s TYR 77 CO -0.01 -0.25 1.06 -0.51 -1.34 0.00 0.00 175.55 174.50 1vln s ASP 78 N 1.10 6.67 -0.13 4.32 1.01 -1.26 0.29 116.67 128.66 1vln s ASP 78 Ca -0.08 0.52 -0.07 0.00 0.71 0.00 0.00 52.55 53.63 1vln s ASP 78 Cb -0.08 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1vln s ASP 78 CO -0.08 -1.10 0.32 0.54 0.21 0.00 0.00 175.17 175.06 1vln s VAL 79 N 4.07 -0.03 -0.80 -1.27 0.11 0.17 -4.96 120.40 117.69 1vln s VAL 79 Ca 0.44 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.42 1vln s VAL 79 Cb -0.09 -0.48 0.13 0.00 -1.53 0.00 0.00 36.38 34.40 1vln s VAL 79 CO 0.26 0.05 0.97 -0.62 -3.33 0.00 0.00 175.10 172.43 1vln s ASP 80 N 1.28 6.47 0.32 3.54 2.15 -1.26 -4.29 116.67 124.88 1vln s ASP 80 Ca -0.09 -1.81 0.22 0.00 0.43 0.00 0.00 52.55 51.30 1vln s ASP 80 Cb -0.09 -2.36 1.18 0.00 -0.30 0.00 0.00 42.92 41.35 1vln s ASP 80 CO -0.10 -1.08 1.68 0.18 -0.17 0.00 0.00 175.17 175.67 1vln n LEU 81 N 6.40 0.58 0.26 -1.34 4.77 -1.26 -1.92 117.00 124.49 1vln n LEU 81 Ca 0.11 0.76 0.11 0.00 -0.03 0.00 0.00 56.01 56.96 1vln n LEU 81 Cb 0.47 -0.82 0.70 0.00 -2.33 0.00 0.00 43.42 41.44 1vln n LEU 81 CO 0.52 -0.94 0.98 0.44 -1.33 0.00 0.00 177.39 177.07 1vln h ASP 82 N 0.00 0.00 0.07 -1.43 5.19 -1.90 -1.28 116.42 117.06 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 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1vln h ASP 82 CO 0.00 0.11 -0.67 0.59 -3.12 0.00 0.00 179.24 176.16 1vln n ASN 83 N -3.84 1.35 -0.10 6.45 3.02 -0.81 -4.56 115.26 116.79 1vln n ASN 83 Ca -0.02 -1.11 -0.17 0.00 -0.03 0.00 0.00 54.58 53.25 1vln n ASN 83 Cb 0.21 0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 39.93 1vln n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1vln n VAL 84 N -0.84 1.08 -4.08 2.41 0.31 -0.80 -5.06 118.33 111.36 1vln n VAL 84 Ca 0.07 -0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 63.84 1vln n VAL 84 Cb 0.39 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 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 -6.57 3.75 0.90 7.52 1.43 -0.55 -4.97 118.68 120.19 1vln s LEU 85 Ca -0.26 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1vln s LEU 85 Cb 0.09 -2.30 0.13 0.00 0.03 0.00 0.00 46.19 44.14 1vln s LEU 85 CO 0.39 -0.09 1.12 -2.84 0.23 0.00 0.00 176.35 175.16 1vln s PRO 86 N -3.86 1.26 0.29 1.29 0.02 -1.26 -4.81 135.00 127.93 1vln s PRO 86 Ca 0.34 0.43 0.09 0.00 0.02 0.00 0.00 61.00 61.88 1vln s PRO 86 Cb -0.07 -1.84 0.43 0.00 0.02 0.00 0.00 34.50 33.03 1vln s PRO 86 CO 0.25 -2.14 1.66 1.49 -0.33 0.00 0.00 177.00 177.93 1vln h GLU 87 N -1.46 0.08 -5.13 5.54 4.81 -1.94 -3.41 114.58 113.06 1vln h GLU 87 Ca -0.50 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 58.02 1vln h GLU 87 Cb 1.31 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.40 1vln h GLU 87 CO 0.60 0.60 -0.79 -1.58 -0.73 0.00 0.00 179.01 177.11 1vln s TRP 88 N -3.84 2.83 0.33 0.92 0.52 -1.26 -2.01 118.94 116.42 1vln s TRP 88 Ca -0.03 -1.08 0.03 0.00 0.02 0.00 0.00 56.10 55.05 1vln s TRP 88 Cb 0.13 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1vln s TRP 88 CO 0.76 -0.52 0.15 0.14 0.02 0.00 0.00 176.95 177.50 1vln s VAL 89 N 1.01 0.43 0.03 4.03 -7.23 0.20 -4.31 120.40 114.57 1vln s VAL 89 Ca -0.01 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1vln s VAL 89 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1vln s VAL 89 CO -0.03 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.43 1vln s ARG 90 N -3.79 1.42 0.09 4.82 0.52 -0.70 0.10 118.95 121.41 1vln s ARG 90 Ca 0.34 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1vln s ARG 90 Cb 0.05 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 1vln s ARG 90 CO 0.17 0.39 -0.04 0.14 0.02 0.00 0.00 175.30 175.98 1vln s VAL 91 N -0.74 3.75 0.21 3.52 -7.23 -1.26 -1.52 120.40 117.13 1vln s VAL 91 Ca 0.07 -1.07 -0.10 0.00 -1.81 0.00 0.00 61.98 59.08 1vln s VAL 91 Cb -0.09 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1vln s VAL 91 CO 0.01 0.14 0.50 0.61 -0.31 0.00 0.00 175.10 176.05 1vln n GLY 92 N 0.70 1.29 3.19 2.32 0.00 -0.61 -2.31 105.19 109.76 1vln n GLY 92 Ca -0.12 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 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 2.01 0.08 0.99 1.43 -0.81 -1.12 118.68 121.26 1vln s LEU 93 Ca 0.10 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1vln s LEU 93 Cb -0.03 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1vln s LEU 93 CO 0.06 0.22 -0.14 -0.55 0.23 0.00 0.00 176.35 176.18 1vln s SER 94 N -0.31 1.71 -0.00 2.29 0.15 0.71 -1.92 113.70 116.32 1vln s SER 94 Ca 0.04 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 55.79 1vln s SER 94 Cb -0.09 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1vln s SER 94 CO 0.00 -0.11 0.51 0.00 1.20 0.00 0.00 173.24 174.84 1vln s ALA 95 N -1.55 -1.30 0.13 5.45 0.00 -0.98 -0.33 121.76 123.18 1vln s ALA 95 Ca 0.01 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 1vln s ALA 95 Cb -0.08 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1vln s ALA 95 CO 0.02 -0.39 0.35 -1.54 0.00 0.00 0.00 175.76 174.20 1vln s SER 96 N -1.56 -0.12 0.08 0.00 1.04 -1.15 -2.57 113.70 109.41 1vln s SER 96 Ca -0.09 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1vln s SER 96 Cb -0.02 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1vln s SER 96 CO 0.04 -0.85 -0.08 0.42 0.98 0.00 0.00 173.24 173.75 1vln s THR 97 N -3.84 0.74 0.00 2.02 -4.23 -0.33 -1.48 115.64 108.52 1vln s THR 97 Ca 0.05 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1vln s THR 97 Cb 0.02 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.60 1vln s THR 97 CO -0.10 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 1vln n GLY 98 N 0.60 3.14 0.28 3.99 0.00 -1.26 -1.77 105.19 110.18 1vln n GLY 98 Ca -0.17 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 0.94-10.26 0.99 5.85 -1.96 -1.75 115.31 109.12 1vln h LEU 99 Ca 0.00 -0.35 -0.46 0.00 0.84 0.00 0.00 57.88 57.91 1vln h LEU 99 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1vln h LEU 99 CO 0.00 1.11 -0.35 -0.31 -0.34 0.00 0.00 178.44 178.56 1vln s TYR 100 N -4.65 2.84 0.33 1.25 2.02 -1.26 -4.96 117.35 112.92 1vln s TYR 100 Ca -0.11 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1vln s TYR 100 Cb 0.13 -2.14 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1vln s TYR 100 CO 0.86 -0.14 0.37 0.36 -1.57 0.00 0.00 175.55 175.43 1vln n LYS 101 N -1.62 0.54 -3.62 -0.62 0.00 -1.24 -4.56 118.16 107.03 1vln n LYS 101 Ca 0.03 -2.90 -0.02 0.00 -0.00 0.00 0.00 58.31 55.42 1vln n LYS 101 Cb 0.60 2.58 -0.01 0.00 -0.00 0.00 0.00 35.03 38.20 1vln n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1vln s GLU 102 N -3.01 0.50 0.37 -1.58 -1.05 -1.18 -3.41 118.70 109.34 1vln s GLU 102 Ca 0.33 -0.25 -0.11 0.00 -0.15 0.00 0.00 54.97 54.79 1vln s GLU 102 Cb 0.00 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.81 1vln s GLU 102 CO 0.23 -0.23 0.73 0.95 0.95 0.00 0.00 175.26 177.90 1vln s THR 103 N -2.58 4.80 -0.48 1.83 -4.23 0.92 -4.71 115.64 111.19 1vln s THR 103 Ca 0.12 0.61 0.08 0.00 -1.18 0.00 0.00 61.69 61.32 1vln s THR 103 Cb 0.02 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.42 1vln s THR 103 CO -0.04 -0.42 0.65 0.59 -0.54 0.00 0.00 174.62 174.86 1vln n ASN 104 N -1.05 1.68 -4.75 3.99 5.03 -1.26 -3.89 115.26 115.00 1vln n ASN 104 Ca 0.02 -3.04 -0.38 0.00 0.87 0.00 0.00 54.58 52.05 1vln n ASN 104 Cb 0.54 -0.64 -0.06 0.00 -1.02 0.00 0.00 39.78 38.60 1vln n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1vln s THR 105 N -2.00 5.10 -0.16 3.41 2.01 -1.15 -2.14 115.64 120.71 1vln s THR 105 Ca 0.38 0.97 -0.03 0.00 0.31 0.00 0.00 61.69 63.32 1vln s THR 105 Cb 0.20 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1vln s THR 105 CO -0.08 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 1vln s ILE 106 N 0.08 3.71 -0.18 1.82 -1.09 0.75 -1.65 121.20 124.65 1vln s ILE 106 Ca 0.26 -0.42 0.16 0.00 -2.23 0.00 0.00 60.65 58.42 1vln s ILE 106 Cb -0.16 -2.62 -0.23 0.00 -1.58 0.00 0.00 42.46 37.87 1vln s ILE 106 CO 0.12 0.49 0.06 0.18 -1.23 0.00 0.00 174.94 174.57 1vln n LEU 107 N 3.62 0.01 -3.62 2.97 4.32 -0.93 -1.67 117.00 121.69 1vln n LEU 107 Ca -0.18 -0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.71 1vln n LEU 107 Cb 0.52 0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 42.74 1vln n LEU 107 CO 0.32 0.46 0.19 -0.94 -1.22 0.00 0.00 177.39 176.21 1vln s SER 108 N -5.29 -0.27 -0.29 -1.43 1.04 -1.25 -4.39 113.70 101.83 1vln s SER 108 Ca -0.09 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1vln s SER 108 Cb 0.06 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.79 1vln s SER 108 CO 0.76 -0.89 0.66 0.86 0.98 0.00 0.00 173.24 175.62 1vln s TRP 109 N -3.81 -1.25 0.10 5.02 -0.00 0.21 -2.84 118.94 116.37 1vln s TRP 109 Ca 0.03 2.26 0.04 0.00 -0.00 0.00 0.00 56.10 58.43 1vln s TRP 109 Cb 0.01 0.75 -0.04 0.00 -0.00 0.00 0.00 33.47 34.20 1vln s TRP 109 CO -0.11 -0.62 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.58 1vln s SER 110 N 2.49 1.44 -0.17 5.86 1.04 -0.38 -0.18 113.70 123.79 1vln s SER 110 Ca -0.07 -0.83 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 1vln s SER 110 Cb -0.10 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.08 1vln s SER 110 CO -0.19 -0.27 0.51 0.12 0.98 0.00 0.00 173.24 174.38 1vln s PHE 111 N -2.52 -0.54 -0.03 5.02 5.36 -0.67 -1.45 117.98 123.15 1vln s PHE 111 Ca 0.06 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 1vln s PHE 111 Cb -0.02 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1vln s PHE 111 CO -0.00 -0.29 0.01 0.99 -1.46 0.00 0.00 175.22 174.46 1vln s THR 112 N 0.11 0.16 -0.05 0.12 2.01 -0.28 -2.09 115.64 115.62 1vln s THR 112 Ca -0.01 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1vln s THR 112 Cb -0.03 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 1vln s THR 112 CO 0.01 0.15 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.34 1vln s SER 113 N 1.14 2.50 -0.01 3.53 0.15 -0.22 -1.84 113.70 118.96 1vln s SER 113 Ca -0.08 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.17 1vln s SER 113 Cb -0.13 -0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1vln s SER 113 CO -0.02 0.18 -0.05 -0.54 1.20 0.00 0.00 173.24 174.02 1vln s LYS 114 N -0.02 0.41 -0.14 5.44 1.02 -0.58 -1.56 119.74 124.31 1vln s LYS 114 Ca -0.04 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 1vln s LYS 114 Cb -0.12 -0.40 0.06 0.00 -0.52 0.00 0.00 37.83 36.84 1vln s LYS 114 CO 0.03 0.10 0.10 -1.17 -0.92 0.00 0.00 175.35 173.49 1vln s LEU 115 N -0.07 0.23 -0.18 3.17 2.96 -0.73 -2.02 118.68 122.03 1vln s LEU 115 Ca 0.01 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1vln s LEU 115 Cb -0.02 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 1vln s LEU 115 CO -0.00 -0.32 0.39 -0.54 -1.32 0.00 0.00 176.35 174.56 1vln s LYS 116 N 2.17 4.23 0.70 1.98 3.01 -0.22 -1.61 119.74 129.99 1vln s LYS 116 Ca 0.03 0.22 -0.11 0.00 -1.01 0.00 0.00 55.97 55.10 1vln s LYS 116 Cb -0.15 -3.49 0.02 0.00 -1.01 0.00 0.00 37.83 33.20 1vln s LYS 116 CO -0.08 0.07 1.09 0.45 0.51 0.00 0.00 175.35 177.39 1vln s SER 117 N 0.82 5.43 0.15 2.83 0.15 -1.22 0.40 113.70 122.26 1vln s SER 117 Ca 0.20 1.10 -0.21 0.00 0.70 0.00 0.00 55.95 57.73 1vln s SER 117 Cb -0.14 -1.90 0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1vln s SER 117 CO 0.07 -1.34 1.65 -1.13 1.20 0.00 0.00 173.24 173.70 1vln h ASN 118 N -0.63 -0.57 -0.70 5.45 -0.73 -0.45 -2.39 115.58 115.55 1vln h ASN 118 Ca -0.45 0.12 -0.70 0.00 1.87 0.00 0.00 56.30 57.14 1vln h ASN 118 Cb 1.26 0.29 -0.08 0.00 0.27 0.00 0.00 38.32 40.06 1vln h ASN 118 CO 0.64 -0.22 2.43 -1.20 -0.37 0.00 0.00 177.43 178.71 1vln n SER 119 N -5.33 4.64 0.00 1.15 7.64 -1.26 -4.90 113.62 115.55 1vln n SER 119 Ca -0.01 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1vln n SER 119 Cb 0.25 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1vln n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1vln n THR 120 N 5.78 0.00 -0.75 0.44 -1.04 -0.90 -3.44 114.28 114.37 1vln n THR 120 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1vln n THR 120 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1vln n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1vln n HIS 121 N 0.00 0.00 -1.66 -1.42 8.25 -1.26 -4.94 115.22 114.20 1vln n HIS 121 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1vln n HIS 121 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1vln n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1vln n GLU 122 N -2.20 4.15 -2.31 -0.41 4.71 -1.22 -4.88 120.64 118.48 1vln n GLU 122 Ca 0.00 -2.84 -0.42 0.00 -0.01 0.00 0.00 57.16 53.88 1vln n GLU 122 Cb 0.00 -2.72 -0.03 0.00 -1.01 0.00 0.00 31.44 27.68 1vln n GLU 122 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1vln s THR 123 N 0.51 3.97 -0.06 2.62 2.01 -1.26 -3.42 115.64 120.01 1vln s THR 123 Ca 0.62 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.93 1vln s THR 123 Cb 0.18 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1vln s THR 123 CO -0.08 -0.04 -0.16 0.20 -0.69 0.00 0.00 174.62 173.85 1vln s ASN 124 N 1.94 3.84 0.04 3.53 -0.87 -0.64 -4.98 114.94 117.80 1vln s ASN 124 Ca 0.61 -0.28 -0.00 0.00 -1.57 0.00 0.00 52.86 51.61 1vln s ASN 124 Cb -0.28 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.25 39.96 1vln s ASN 124 CO 0.23 0.30 -0.03 0.00 -2.57 0.00 0.00 177.10 175.02 1vln s ALA 125 N -0.44 0.38 -0.02 0.60 0.00 -1.26 -1.78 121.76 119.24 1vln s ALA 125 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1vln s ALA 125 Cb -0.12 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1vln s ALA 125 CO 0.02 -0.27 -0.05 -1.17 0.00 0.00 0.00 175.76 174.29 1vln s LEU 126 N -2.31 1.73 -0.12 0.00 2.96 -0.60 -5.00 118.68 115.34 1vln s LEU 126 Ca -0.02 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 1vln s LEU 126 Cb 0.00 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.41 1vln s LEU 126 CO -0.06 0.02 0.27 -2.28 -1.32 0.00 0.00 176.35 172.98 1vln s HIS 127 N 0.27 -0.39 0.04 5.38 5.65 -1.26 -1.06 115.29 123.92 1vln s HIS 127 Ca -0.03 0.90 0.03 0.00 0.25 0.00 0.00 55.06 56.21 1vln s HIS 127 Cb -0.07 0.07 -0.02 0.00 -1.18 0.00 0.00 32.58 31.38 1vln s HIS 127 CO -0.00 -0.27 -0.10 -0.59 -0.65 0.00 0.00 174.74 173.12 1vln s PHE 128 N 1.50 0.89 -0.05 3.88 -0.12 -0.89 -5.02 117.98 118.17 1vln s PHE 128 Ca -0.07 -0.37 -0.02 0.00 -0.05 0.00 0.00 56.93 56.41 1vln s PHE 128 Cb -0.10 -0.53 0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1vln s PHE 128 CO -0.09 -0.01 0.08 1.41 -0.05 0.00 0.00 175.22 176.56 1vln s MET 129 N -1.19 -0.04 -0.32 1.99 1.75 -1.26 -1.67 119.30 118.56 1vln s MET 129 Ca -0.03 0.39 -0.01 0.00 -1.25 0.00 0.00 55.69 54.80 1vln s MET 129 Cb -0.08 -0.40 0.07 0.00 2.84 0.00 0.00 34.83 37.26 1vln s MET 129 CO 0.01 -0.29 0.03 -0.06 -0.65 0.00 0.00 175.02 174.05 1vln s PHE 130 N 1.98 3.39 -1.82 4.11 0.08 0.74 -4.90 117.98 121.56 1vln s PHE 130 Ca 0.02 -2.18 0.16 0.00 0.12 0.00 0.00 56.93 55.05 1vln s PHE 130 Cb -0.12 -2.39 0.23 0.00 -0.57 0.00 0.00 43.02 40.17 1vln s PHE 130 CO -0.04 -0.86 1.12 0.09 -0.10 0.00 0.00 175.22 175.43 1vln n ASN 131 N 4.54 2.66 -3.63 1.36 3.02 -1.26 -0.62 115.26 121.33 1vln n ASN 131 Ca -0.09 -1.78 -0.11 0.00 -0.03 0.00 0.00 54.58 52.57 1vln n ASN 131 Cb 0.43 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.24 0.65 -0.16 3.52 0.74 -1.26 -4.84 119.66 117.07 1vln s GLN 132 Ca 0.24 0.77 -0.01 0.00 0.05 0.00 0.00 55.36 56.41 1vln s GLN 132 Cb 0.15 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.57 1vln s GLN 132 CO 0.21 -0.08 -0.12 -0.06 -0.55 0.00 0.00 175.29 174.69 1vln s PHE 133 N 0.29 2.83 0.53 1.67 0.08 -0.40 -5.05 117.98 117.93 1vln s PHE 133 Ca 0.02 -0.89 -0.06 0.00 0.12 0.00 0.00 56.93 56.11 1vln s PHE 133 Cb -0.05 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1vln s PHE 133 CO -0.03 -0.40 0.85 -1.54 -0.10 0.00 0.00 175.22 173.99 1vln s SER 134 N 0.79 6.05 0.42 1.36 1.04 -1.26 -2.98 113.70 119.11 1vln s SER 134 Ca -0.05 0.91 0.09 0.00 0.48 0.00 0.00 55.95 57.39 1vln s SER 134 Cb -0.15 -2.10 0.91 0.00 0.10 0.00 0.00 66.02 64.78 1vln s SER 134 CO 0.01 -0.76 2.03 0.50 0.98 0.00 0.00 173.24 176.00 1vln h LYS 135 N 0.04 0.50 -2.89 4.02 1.63 -1.87 -3.18 116.57 114.82 1vln h LYS 135 Ca -0.46 -0.03 -0.61 0.00 -0.85 0.00 0.00 60.65 58.70 1vln h LYS 135 Cb 1.22 -0.11 -0.41 0.00 -0.60 0.00 0.00 32.23 32.33 1vln h LYS 135 CO 0.61 0.33 -0.69 0.34 -3.45 0.00 0.00 179.45 176.60 1vln s ASP 136 N -6.51 3.88 -1.02 4.20 2.15 -1.26 -4.75 116.67 113.36 1vln s ASP 136 Ca -0.08 -3.60 -0.20 0.00 0.43 0.00 0.00 52.55 49.09 1vln s ASP 136 Cb 0.18 -1.30 0.09 0.00 -0.30 0.00 0.00 42.92 41.59 1vln s ASP 136 CO 0.74 -0.11 1.35 -1.58 -0.17 0.00 0.00 175.17 175.39 1vln s GLN 137 N -0.99 3.65 0.00 4.34 2.00 -1.20 -4.86 119.66 122.59 1vln s GLN 137 Ca 0.27 -1.51 0.07 0.00 -2.00 0.00 0.00 55.36 52.18 1vln s GLN 137 Cb -0.03 -5.19 0.30 0.00 0.80 0.00 0.00 33.01 28.89 1vln s GLN 137 CO -0.17 -2.02 1.19 1.63 -0.50 0.00 0.00 175.29 175.42 1vln n LYS 138 N 7.78 0.02 -0.58 1.67 5.02 -1.26 -2.58 118.16 128.23 1vln n LYS 138 Ca 0.31 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1vln n LYS 138 Cb 0.49 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.46 4.66 -4.28 4.39 5.68 -1.26 -4.92 116.55 119.36 1vln n ASP 139 Ca 0.02 -2.36 -0.24 0.00 -0.50 0.00 0.00 54.79 51.71 1vln n ASP 139 Cb 0.08 -0.57 -0.13 0.00 -1.14 0.00 0.00 41.12 39.36 1vln n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1vln s LEU 140 N -1.68 2.28 -0.42 -2.12 1.43 -1.07 -0.98 118.68 116.12 1vln s LEU 140 Ca 0.52 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1vln s LEU 140 Cb 0.32 -0.90 0.08 0.00 0.03 0.00 0.00 46.19 45.72 1vln s LEU 140 CO 0.27 0.07 0.27 -0.63 0.23 0.00 0.00 176.35 176.57 1vln s ILE 141 N -1.10 4.35 -0.07 -0.59 1.01 0.98 -4.86 121.20 120.91 1vln s ILE 141 Ca 0.07 -1.35 -0.20 0.00 0.00 0.00 0.00 60.65 59.16 1vln s ILE 141 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1vln s ILE 141 CO 0.04 -0.51 0.56 -0.76 0.00 0.00 0.00 174.94 174.27 1vln s LEU 142 N 1.45 4.33 -0.01 2.97 1.43 -1.26 -1.06 118.68 126.54 1vln s LEU 142 Ca 0.03 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1vln s LEU 142 Cb -0.23 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1vln s LEU 142 CO 0.03 0.01 -0.20 -1.10 0.23 0.00 0.00 176.35 175.32 1vln s GLN 143 N 0.37 1.59 7.31 1.70 -0.21 0.30 -4.99 119.66 125.73 1vln s GLN 143 Ca 0.30 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1vln s GLN 143 Cb -0.17 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.28 1vln s GLN 143 CO 0.14 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 1vln n GLY 144 N 2.46 1.60 1.18 3.09 0.00 -1.26 -0.49 105.19 111.77 1vln n GLY 144 Ca -0.15 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 8.29 3.57 -4.73 1.61 8.00 0.38 -4.95 116.55 128.72 1vln n ASP 145 Ca 0.00 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.10 1vln n ASP 145 Cb 0.00 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.33 3.50 0.08 2.24 0.00 -1.24 -4.26 121.76 120.75 1vln s ALA 146 Ca 0.41 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 1vln s ALA 146 Cb 0.23 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1vln s ALA 146 CO 0.31 -0.49 0.03 0.95 0.00 0.00 0.00 175.76 176.56 1vln s THR 147 N 0.23 0.18 0.29 0.00 -4.23 -0.62 -4.73 115.64 106.76 1vln s THR 147 Ca 0.56 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1vln s THR 147 Cb -0.35 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1vln s THR 147 CO 0.36 -0.80 0.10 0.35 -0.54 0.00 0.00 174.62 174.09 1vln n THR 148 N 0.03 0.00 -0.23 3.99 -2.24 -1.26 -1.42 114.28 113.15 1vln n THR 148 Ca -0.12 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1vln n THR 148 Cb 0.62 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1vln n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vln n GLY 149 N 0.21 1.58 3.53 3.38 0.00 -1.05 -4.66 105.19 108.18 1vln n GLY 149 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1vln n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vln n THR 150 N -2.00 2.28 -0.86 2.61 -1.04 -1.10 -2.70 114.28 111.48 1vln n THR 150 Ca 0.00 -2.34 0.00 0.00 -2.04 0.00 0.00 64.05 59.67 1vln n THR 150 Cb 0.00 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 1vln n THR 150 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1vln n ASP 151 N 12.68 -2.57 0.00 8.00 2.03 -1.26 -2.55 116.55 132.88 1vln n ASP 151 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1vln n ASP 151 Cb 0.46 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 -2.86 0.65 3.70 0.27 0.00 -1.10 -5.02 105.19 100.83 1vln n GLY 152 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.10 4.51 -0.29 1.61 0.01 -1.06 -1.28 114.94 116.35 1vln s ASN 153 Ca 0.00 -0.85 -0.08 0.00 -0.71 0.00 0.00 52.86 51.23 1vln s ASN 153 Cb 0.00 -0.66 -0.01 0.00 0.41 0.00 0.00 41.25 40.99 1vln s ASN 153 CO 0.00 -0.28 0.10 -0.22 -1.51 0.00 0.00 177.10 175.20 1vln s LEU 154 N -3.80 3.81 -0.31 0.60 2.96 -0.67 -2.53 118.68 118.74 1vln s LEU 154 Ca 0.37 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1vln s LEU 154 Cb -0.02 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1vln s LEU 154 CO 0.21 -0.15 0.18 -1.61 -1.32 0.00 0.00 176.35 173.67 1vln s GLU 155 N 1.57 3.51 0.23 1.98 0.41 -0.51 -0.18 118.70 125.72 1vln s GLU 155 Ca 0.04 -0.61 0.14 0.00 -0.41 0.00 0.00 54.97 54.13 1vln s GLU 155 Cb -0.16 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 1vln s GLU 155 CO 0.04 -0.37 1.36 -0.07 -0.49 0.00 0.00 175.26 175.74 1vln h LEU 156 N 8.39 0.00 -8.89 1.80 3.38 -1.70 -1.65 115.31 116.64 1vln h LEU 156 Ca -0.33 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.16 1vln h LEU 156 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 1vln h LEU 156 CO 0.61 0.59 -0.75 0.42 0.09 0.00 0.00 178.44 179.40 1vln s THR 157 N -2.91 1.81 0.16 0.22 -4.23 -1.26 -2.18 115.64 107.25 1vln s THR 157 Ca 0.03 -2.13 -0.31 0.00 -1.18 0.00 0.00 61.69 58.10 1vln s THR 157 Cb 0.08 -1.99 -0.11 0.00 1.34 0.00 0.00 72.50 71.82 1vln s THR 157 CO 0.76 -0.49 1.73 -0.60 -0.54 0.00 0.00 174.62 175.48 1vln s ARG 158 N -3.35 4.15 0.10 3.99 6.06 -1.26 -4.84 118.95 123.80 1vln s ARG 158 Ca 0.21 2.54 0.10 0.00 -2.50 0.00 0.00 55.73 56.07 1vln s ARG 158 Cb -0.03 -3.31 -0.04 0.00 0.06 0.00 0.00 34.95 31.63 1vln s ARG 158 CO 0.07 -0.76 -0.24 0.08 -2.50 0.00 0.00 175.30 171.95 1vln s VAL 159 N 1.84 2.41 0.71 7.11 1.01 -1.26 -1.74 120.40 130.48 1vln s VAL 159 Ca 0.76 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1vln s VAL 159 Cb -0.47 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1vln s VAL 159 CO 0.33 0.16 1.07 -0.44 0.00 0.00 0.00 175.10 176.22 1vln s SER 160 N -1.88 5.18 0.40 3.32 0.01 0.18 -4.89 113.70 116.03 1vln s SER 160 Ca 0.15 0.89 0.15 0.00 1.31 0.00 0.00 55.95 58.45 1vln s SER 160 Cb -0.10 -1.64 1.01 0.00 0.21 0.00 0.00 66.02 65.51 1vln s SER 160 CO 0.06 -1.45 1.87 0.28 0.41 0.00 0.00 173.24 174.41 1vln h SER 161 N -0.65 0.46 -0.32 2.44 0.02 -2.01 0.29 113.55 113.79 1vln h SER 161 Ca -0.45 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1vln h SER 161 Cb 1.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1vln h SER 161 CO 0.63 0.21 0.00 -0.46 -1.14 0.00 0.00 176.83 176.07 1vln n ASN 162 N -4.52 2.37 -0.02 3.07 6.94 -1.26 -4.90 115.26 116.94 1vln n ASN 162 Ca 0.18 -2.16 -0.00 0.00 -0.02 0.00 0.00 54.58 52.57 1vln n ASN 162 Cb 0.62 -0.37 -0.00 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.77 0.46 3.82 4.83 0.00 0.10 -5.04 105.19 110.12 1vln n GLY 163 Ca 0.12 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1vln n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vln s SER 164 N -2.41 6.69 0.92 1.61 1.04 -1.25 -4.72 113.70 115.59 1vln s SER 164 Ca 0.00 0.82 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 1vln s SER 164 Cb 0.00 -2.22 0.13 0.00 0.10 0.00 0.00 66.02 64.03 1vln s SER 164 CO 0.00 0.28 1.01 -2.65 0.98 0.00 0.00 173.24 172.87 1vln n PRO 165 N 2.21 -0.41 -4.42 4.02 -0.02 -1.26 0.50 135.00 135.62 1vln n PRO 165 Ca -0.14 -0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.02 1vln n PRO 165 Cb 0.53 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 1vln n PRO 165 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1vln s GLN 166 N -4.43 1.29 0.67 -0.52 -1.52 -0.71 -4.71 119.66 109.72 1vln s GLN 166 Ca 0.65 -1.17 -0.03 0.00 -1.95 0.00 0.00 55.36 52.86 1vln s GLN 166 Cb -0.23 -1.59 0.08 0.00 -0.22 0.00 0.00 33.01 31.05 1vln s GLN 166 CO 0.60 0.38 0.94 0.20 -0.25 0.00 0.00 175.29 177.16 1vln s GLY 167 N -1.78 1.76 -1.41 3.09 0.00 -1.26 -4.50 107.32 103.21 1vln s GLY 167 Ca 0.09 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 1vln s GLY 167 CO 0.04 -0.85 0.36 1.44 0.00 0.00 0.00 173.10 174.09 1vln n SER 168 N -2.74 -0.40 -4.35 1.64 7.64 -0.66 -4.89 113.62 109.86 1vln n SER 168 Ca 0.10 -1.07 -0.28 0.00 1.01 0.00 0.00 58.87 58.63 1vln n SER 168 Cb 0.60 -2.76 -0.13 0.00 -1.01 0.00 0.00 64.21 60.90 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 -4.31 3.06 -0.04 6.43 0.15 -1.03 -4.95 113.70 113.01 1vln s SER 169 Ca 0.04 -0.68 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 1vln s SER 169 Cb -0.02 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1vln s SER 169 CO 0.91 0.18 0.13 -0.69 1.20 0.00 0.00 173.24 174.96 1vln s VAL 170 N -0.99 0.02 -0.00 4.45 1.01 -1.26 -1.19 120.40 122.44 1vln s VAL 170 Ca 0.11 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1vln s VAL 170 Cb -0.10 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1vln s VAL 170 CO 0.04 -0.07 0.58 -0.83 0.00 0.00 0.00 175.10 174.82 1vln s GLY 171 N -0.19 -0.49 0.05 4.51 0.00 -0.92 -0.47 107.32 109.81 1vln s GLY 171 Ca -0.03 0.94 -0.06 0.00 0.00 0.00 0.00 44.72 45.57 1vln s GLY 171 CO 0.00 0.62 0.10 0.50 0.00 0.00 0.00 173.10 174.32 1vln s ARG 172 N -1.73 0.66 -0.05 2.90 0.52 0.36 -2.31 118.95 119.29 1vln s ARG 172 Ca -0.09 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1vln s ARG 172 Cb -0.01 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.75 1vln s ARG 172 CO 0.04 -0.17 0.03 0.00 0.02 0.00 0.00 175.30 175.22 1vln s ALA 173 N -3.14 0.45 -0.01 2.13 0.00 -0.81 -0.54 121.76 119.84 1vln s ALA 173 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.07 1vln s ALA 173 Cb 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1vln s ALA 173 CO -0.07 -0.44 -0.22 -0.51 0.00 0.00 0.00 175.76 174.52 1vln s LEU 174 N 1.99 2.30 0.42 0.00 1.02 -0.22 -1.93 118.68 122.26 1vln s LEU 174 Ca 0.04 -0.41 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 1vln s LEU 174 Cb -0.12 -1.41 -0.08 0.00 0.02 0.00 0.00 46.19 44.60 1vln s LEU 174 CO -0.04 0.31 1.27 0.12 0.02 0.00 0.00 176.35 178.03 1vln s PHE 175 N -0.70 2.82 0.22 0.29 5.36 -0.98 -0.01 117.98 124.97 1vln s PHE 175 Ca 0.11 1.44 -0.09 0.00 -0.96 0.00 0.00 56.93 57.43 1vln s PHE 175 Cb -0.10 -3.61 0.19 0.00 -0.34 0.00 0.00 43.02 39.16 1vln s PHE 175 CO 0.00 -1.98 1.88 -0.92 -1.46 0.00 0.00 175.22 172.74 1vln h TYR 176 N 2.50 0.96 -3.32 10.12 3.20 -1.39 -3.44 116.97 125.59 1vln h TYR 176 Ca -0.50 0.02 -0.56 0.00 3.14 0.00 0.00 58.73 60.84 1vln h TYR 176 Cb 1.25 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1vln h TYR 176 CO 0.53 0.59 0.03 0.00 -1.64 0.00 0.00 178.16 177.66 1vln s ALA 177 N -6.13 3.52 0.67 1.82 0.00 -1.26 -5.04 121.76 115.34 1vln s ALA 177 Ca -0.13 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 1vln s ALA 177 Cb 0.16 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1vln s ALA 177 CO 0.78 0.29 1.22 -2.14 0.00 0.00 0.00 175.76 175.91 1vln s PRO 178 N -0.79 2.52 -0.03 0.00 0.02 -1.26 -4.83 135.00 130.63 1vln s PRO 178 Ca 0.32 1.81 0.06 0.00 0.02 0.00 0.00 61.00 63.20 1vln s PRO 178 Cb -0.20 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1vln s PRO 178 CO 0.20 -1.56 -0.22 0.08 -0.33 0.00 0.00 177.00 175.18 1vln s VAL 179 N -1.79 1.75 -0.89 3.83 1.01 0.12 -4.93 120.40 119.50 1vln s VAL 179 Ca 0.76 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1vln s VAL 179 Cb -0.30 -1.47 0.14 0.00 0.00 0.00 0.00 36.38 34.75 1vln s VAL 179 CO 0.40 0.49 1.06 -2.28 0.00 0.00 0.00 175.10 174.78 1vln s HIS 180 N -0.37 3.17 0.24 5.22 2.46 -1.26 -0.63 115.29 124.12 1vln s HIS 180 Ca 0.04 -1.40 0.12 0.00 0.47 0.00 0.00 55.06 54.30 1vln s HIS 180 Cb -0.10 -4.22 0.41 0.00 -0.13 0.00 0.00 32.58 28.54 1vln s HIS 180 CO 0.00 -1.43 1.63 0.97 -2.47 0.00 0.00 174.74 173.44 1vln h ILE 181 N 5.72 1.31 -3.28 0.89 6.09 -1.71 -3.47 117.51 123.05 1vln h ILE 181 Ca 0.11 -2.02 -0.00 0.00 -1.37 0.00 0.00 64.86 61.57 1vln h ILE 181 Cb 1.03 2.12 -0.09 0.00 0.47 0.00 0.00 36.82 40.36 1vln h ILE 181 CO 1.07 0.56 0.06 -1.66 -3.07 0.00 0.00 178.15 175.11 1vln s TRP 182 N -3.57 -0.06 0.09 2.19 1.48 -1.25 -4.79 118.94 113.03 1vln s TRP 182 Ca -0.01 -0.31 -0.18 0.00 -1.06 0.00 0.00 56.10 54.54 1vln s TRP 182 Cb 0.12 0.44 0.04 0.00 -1.16 0.00 0.00 33.47 32.91 1vln s TRP 182 CO 0.75 -1.01 0.42 -2.00 -4.06 0.00 0.00 176.95 171.05 1vln s GLU 183 N -3.91 1.01 0.13 3.25 2.12 -1.26 -4.80 118.70 115.24 1vln s GLU 183 Ca 0.12 -0.51 0.27 0.00 0.36 0.00 0.00 54.97 55.20 1vln s GLU 183 Cb -0.02 0.45 0.87 0.00 0.26 0.00 0.00 34.13 35.69 1vln s GLU 183 CO 0.02 -0.38 1.75 0.43 -0.54 0.00 0.00 175.26 176.54 1vln n SER 184 N 0.13 0.55 0.00 -1.70 7.64 -1.26 -3.74 113.62 115.25 1vln n SER 184 Ca -0.17 0.46 0.11 0.00 1.01 0.00 0.00 58.87 60.28 1vln n SER 184 Cb 0.62 -0.55 -0.15 0.00 -1.01 0.00 0.00 64.21 63.12 1vln n SER 184 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1vln n SER 185 N -1.99 0.16 -4.74 6.43 3.41 -1.26 -5.00 113.62 110.63 1vln n SER 185 Ca 0.06 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1vln n SER 185 Cb 0.40 1.77 -0.02 0.00 -0.26 0.00 0.00 64.21 66.10 1vln n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vln n ALA 186 N -2.19 2.44 0.03 7.33 0.00 -1.24 0.33 120.51 127.20 1vln n ALA 186 Ca -0.03 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 1vln n ALA 186 Cb 0.55 -2.45 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 1vln n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vln h VAL 187 N 3.30 1.46 -3.53 0.00 2.07 -0.24 -3.46 116.25 115.85 1vln h VAL 187 Ca -0.47 -2.50 -0.24 0.00 0.82 0.00 0.00 66.70 64.32 1vln h VAL 187 Cb 1.23 3.14 -0.29 0.00 -1.52 0.00 0.00 31.29 33.84 1vln h VAL 187 CO 0.78 0.70 -0.66 -0.69 0.02 0.00 0.00 177.57 177.71 1vln s VAL 188 N -2.41 -0.02 0.00 2.57 1.01 -1.24 -4.87 120.40 115.44 1vln s VAL 188 Ca -0.15 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1vln s VAL 188 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1vln s VAL 188 CO 0.80 0.03 -0.06 0.00 0.00 0.00 0.00 175.10 175.87 1vln s ALA 189 N 0.42 0.49 -0.08 5.51 0.00 -1.26 -1.06 121.76 125.77 1vln s ALA 189 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1vln s ALA 189 Cb -0.05 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.07 1vln s ALA 189 CO -0.01 0.10 0.84 -1.54 0.00 0.00 0.00 175.76 175.15 1vln s SER 190 N -0.28 -0.50 0.12 0.00 1.04 -0.86 -0.25 113.70 112.98 1vln s SER 190 Ca 0.01 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.92 1vln s SER 190 Cb -0.03 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1vln s SER 190 CO -0.00 -0.51 -0.03 0.72 0.98 0.00 0.00 173.24 174.40 1vln s PHE 191 N -1.47 0.95 -0.19 5.02 -0.12 -0.63 -1.53 117.98 120.01 1vln s PHE 191 Ca -0.05 -1.00 -0.10 0.00 -0.05 0.00 0.00 56.93 55.73 1vln s PHE 191 Cb -0.00 -0.55 0.06 0.00 -0.63 0.00 0.00 43.02 41.90 1vln s PHE 191 CO 0.03 -0.24 0.45 -2.00 -0.05 0.00 0.00 175.22 173.42 1vln s GLU 192 N -3.90 0.44 0.06 1.99 2.12 -0.76 -2.26 118.70 116.39 1vln s GLU 192 Ca 0.17 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.41 1vln s GLU 192 Cb 0.06 0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 1vln s GLU 192 CO -0.02 -0.16 -0.15 0.00 -0.54 0.00 0.00 175.26 174.39 1vln s ALA 193 N 1.45 1.28 -0.07 6.30 0.00 -0.39 -1.12 121.76 129.21 1vln s ALA 193 Ca -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 1vln s ALA 193 Cb -0.08 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1vln s ALA 193 CO -0.14 0.22 0.18 0.99 0.00 0.00 0.00 175.76 177.01 1vln s THR 194 N -1.10 -0.02 -0.02 0.00 2.01 -0.53 -0.93 115.64 115.05 1vln s THR 194 Ca 0.01 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 1vln s THR 194 Cb -0.09 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1vln s THR 194 CO 0.02 0.03 0.19 0.72 -0.69 0.00 0.00 174.62 174.89 1vln s PHE 195 N 0.62 -0.07 0.04 4.92 -0.71 -0.88 -1.26 117.98 120.65 1vln s PHE 195 Ca -0.04 0.11 0.04 0.00 -1.04 0.00 0.00 56.93 56.00 1vln s PHE 195 Cb -0.06 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1vln s PHE 195 CO -0.03 -0.26 -0.05 0.95 -1.34 0.00 0.00 175.22 174.48 1vln s THR 196 N -1.01 3.72 0.16 -4.49 -4.23 -1.13 -1.20 115.64 107.45 1vln s THR 196 Ca -0.11 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1vln s THR 196 Cb -0.06 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1vln s THR 196 CO 0.02 0.29 0.21 0.72 -0.54 0.00 0.00 174.62 175.32 1vln s PHE 197 N -1.10 0.56 -0.13 3.99 -0.71 -0.53 -2.20 117.98 117.85 1vln s PHE 197 Ca 0.20 -0.92 -0.02 0.00 -1.04 0.00 0.00 56.93 55.14 1vln s PHE 197 Cb -0.11 -0.20 0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1vln s PHE 197 CO 0.11 -0.66 0.02 -1.17 -1.34 0.00 0.00 175.22 172.18 1vln s LEU 198 N -3.00 0.86 -0.28 -1.99 2.96 -0.66 -1.41 118.68 115.17 1vln s LEU 198 Ca 0.20 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1vln s LEU 198 Cb 0.05 -0.51 0.03 0.00 0.50 0.00 0.00 46.19 46.25 1vln s LEU 198 CO 0.01 -0.25 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.15 1vln s ILE 199 N 1.92 3.08 -0.05 6.68 1.01 -1.26 -2.93 121.20 129.66 1vln s ILE 199 Ca 0.02 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.61 1vln s ILE 199 Cb -0.14 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1vln s ILE 199 CO -0.07 0.05 -0.23 -0.54 0.00 0.00 0.00 174.94 174.16 1vln s LYS 200 N 1.32 2.24 -0.01 2.79 1.02 -1.25 -1.27 119.74 124.57 1vln s LYS 200 Ca -0.02 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1vln s LYS 200 Cb -0.18 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1vln s LYS 200 CO -0.02 0.38 -0.01 0.45 -0.92 0.00 0.00 175.35 175.22 1vln s SER 201 N -0.20 0.30 0.05 2.83 0.15 -1.26 -0.05 113.70 115.52 1vln s SER 201 Ca -0.01 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.84 1vln s SER 201 Cb -0.12 -0.09 0.22 0.00 -1.71 0.00 0.00 66.02 64.32 1vln s SER 201 CO 0.02 -0.02 1.19 -0.81 1.20 0.00 0.00 173.24 174.83 1vln n PRO 202 N 3.42 0.20 -2.93 5.44 -0.04 -1.26 -4.99 135.00 134.84 1vln n PRO 202 Ca -0.18 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1vln n PRO 202 Cb 0.56 -1.59 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1vln n PRO 202 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1vln s ASP 203 N -3.71 4.93 0.23 3.54 1.47 -1.26 -5.02 116.67 116.85 1vln s ASP 203 Ca 0.06 -0.74 -0.13 0.00 1.18 0.00 0.00 52.55 52.93 1vln s ASP 203 Cb 0.15 0.22 0.30 0.00 -0.34 0.00 0.00 42.92 43.25 1vln s ASP 203 CO 0.76 -1.46 1.60 0.28 0.68 0.00 0.00 175.17 177.03 1vln h SER 204 N 0.02 -0.78 -3.71 2.11 0.02 -1.98 -3.41 113.55 105.82 1vln h SER 204 Ca -0.31 0.23 -0.23 0.00 -0.84 0.00 0.00 61.79 60.64 1vln h SER 204 Cb 1.28 0.49 -0.28 0.00 0.14 0.00 0.00 62.40 64.03 1vln h SER 204 CO 0.40 -0.26 -0.68 -2.28 -1.14 0.00 0.00 176.83 172.88 1vln s HIS 205 N -6.21 -0.04 0.69 3.45 5.65 -1.26 -5.15 115.29 112.42 1vln s HIS 205 Ca -0.15 0.11 -0.14 0.00 0.25 0.00 0.00 55.06 55.14 1vln s HIS 205 Cb 0.21 -0.01 0.02 0.00 -1.18 0.00 0.00 32.58 31.62 1vln s HIS 205 CO 0.75 -0.03 1.11 -2.14 -0.65 0.00 0.00 174.74 173.77 1vln s PRO 206 N 0.15 2.63 -0.28 2.88 0.02 -1.26 -4.44 135.00 134.69 1vln s PRO 206 Ca -0.01 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.11 1vln s PRO 206 Cb -0.02 -1.93 0.14 0.00 0.02 0.00 0.00 34.50 32.72 1vln s PRO 206 CO -0.00 -1.38 1.16 0.00 -0.33 0.00 0.00 177.00 176.44 1vln s ALA 207 N -2.46 -2.05 0.00 -1.55 0.00 -1.22 -4.15 121.76 110.33 1vln s ALA 207 Ca 0.66 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.43 1vln s ALA 207 Cb -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1vln s ALA 207 CO 0.45 -0.20 0.00 -0.25 0.00 0.00 0.00 175.76 175.77 1vln n ASP 208 N 1.99 3.72 0.00 0.00 8.00 -0.55 -3.13 116.55 126.58 1vln n ASP 208 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1vln n ASP 208 Cb 0.56 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 42.29 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 2.02 2.75 3.38 0.44 0.00 -1.24 -2.50 105.19 110.05 1vln n GLY 209 Ca 0.00 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.97 2.11 -0.17 -0.61 1.01 -0.79 -2.94 121.20 117.85 1vln s ILE 210 Ca 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 60.65 58.55 1vln s ILE 210 Cb 0.00 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.53 1vln s ILE 210 CO 0.00 -0.20 0.43 0.00 0.00 0.00 0.00 174.94 175.16 1vln s ALA 211 N -1.82 -1.07 -0.20 9.38 0.00 0.55 -0.62 121.76 127.98 1vln s ALA 211 Ca 0.18 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 1vln s ALA 211 Cb -0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1vln s ALA 211 CO 0.08 -0.23 0.37 0.12 0.00 0.00 0.00 175.76 176.10 1vln s PHE 212 N 0.75 3.38 0.21 0.00 5.36 -0.75 -0.21 117.98 126.72 1vln s PHE 212 Ca -0.04 0.59 0.05 0.00 -0.96 0.00 0.00 56.93 56.56 1vln s PHE 212 Cb -0.05 -2.48 -0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1vln s PHE 212 CO -0.05 0.03 -0.06 -0.59 -1.46 0.00 0.00 175.22 173.08 1vln s PHE 213 N 1.17 1.54 -0.09 10.12 -0.71 -0.28 -1.36 117.98 128.38 1vln s PHE 213 Ca 0.18 -0.78 0.01 0.00 -1.04 0.00 0.00 56.93 55.29 1vln s PHE 213 Cb -0.14 -0.83 0.02 0.00 -1.21 0.00 0.00 43.02 40.86 1vln s PHE 213 CO 0.07 0.11 -0.09 0.42 -1.34 0.00 0.00 175.22 174.39 1vln s ILE 214 N -3.26 1.01 0.20 -4.49 1.01 -0.07 -1.58 121.20 114.01 1vln s ILE 214 Ca 0.24 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1vln s ILE 214 Cb 0.03 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1vln s ILE 214 CO 0.06 0.35 0.15 -1.54 0.00 0.00 0.00 174.94 173.96 1vln n SER 215 N 4.42 -0.14 -4.75 3.58 3.41 -0.58 -1.96 113.62 117.60 1vln n SER 215 Ca -0.18 -2.25 -0.40 0.00 -0.26 0.00 0.00 58.87 55.78 1vln n SER 215 Cb 0.51 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 1vln n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vln s ASN 216 N -2.35 7.34 0.32 4.04 4.22 -1.23 -1.72 114.94 125.57 1vln s ASN 216 Ca 0.21 2.17 0.19 0.00 -2.14 0.00 0.00 52.86 53.29 1vln s ASN 216 Cb 0.01 -2.62 1.16 0.00 1.28 0.00 0.00 41.25 41.08 1vln s ASN 216 CO 0.15 -0.10 1.33 -0.38 -2.04 0.00 0.00 177.10 176.06 1vln n ILE 217 N 1.52 -0.33 -1.26 0.54 5.41 -1.26 -1.16 119.36 122.81 1vln n ILE 217 Ca -0.00 1.68 -0.27 0.00 1.00 0.00 0.00 62.75 65.16 1vln n ILE 217 Cb 0.46 -2.74 0.15 0.00 -0.71 0.00 0.00 39.64 36.80 1vln n ILE 217 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1vln n ASP 218 N -4.82 4.78 -4.77 4.38 5.75 -1.26 -4.84 116.55 115.78 1vln n ASP 218 Ca 0.32 -3.66 -0.38 0.00 -0.01 0.00 0.00 54.79 51.06 1vln n ASP 218 Cb 1.13 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.47 6.08 0.12 -1.12 0.15 -0.31 -5.05 113.70 112.10 1vln s SER 219 Ca 0.59 2.54 0.02 0.00 0.70 0.00 0.00 55.95 59.80 1vln s SER 219 Cb 0.49 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1vln s SER 219 CO 0.08 -0.99 -0.04 -0.44 1.20 0.00 0.00 173.24 173.04 1vln s SER 220 N -1.01 1.14 0.03 5.45 0.01 -1.26 -5.09 113.70 112.98 1vln s SER 220 Ca 0.62 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1vln s SER 220 Cb -0.35 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 1vln s SER 220 CO 0.43 -0.50 1.59 -0.63 0.41 0.00 0.00 173.24 174.54 1vln s ILE 221 N -3.64 3.31 0.44 1.44 1.01 -1.26 -4.96 121.20 117.54 1vln s ILE 221 Ca 0.16 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.24 1vln s ILE 221 Cb 0.06 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 1vln s ILE 221 CO -0.02 -0.01 1.36 -2.84 0.00 0.00 0.00 174.94 173.43 1vln s PRO 222 N 2.80 3.73 0.21 2.79 0.02 -1.26 -4.92 135.00 138.38 1vln s PRO 222 Ca 0.71 2.26 -0.32 0.00 0.02 0.00 0.00 61.00 63.67 1vln s PRO 222 Cb -0.36 -2.64 -0.13 0.00 0.02 0.00 0.00 34.50 31.39 1vln s PRO 222 CO 0.30 -0.72 1.48 0.45 -0.33 0.00 0.00 177.00 178.18 1vln n SER 223 N -0.18 2.93 -1.87 2.53 2.88 -1.26 -2.32 113.62 116.34 1vln n SER 223 Ca 0.05 1.12 -0.20 0.00 -1.33 0.00 0.00 58.87 58.51 1vln n SER 223 Cb 0.43 -1.44 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1vln n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vln n GLY 224 N 2.61 1.12 1.52 0.46 0.00 -1.26 -4.84 105.19 104.79 1vln n GLY 224 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.55 4.65 -3.65 1.61 3.41 -0.98 -4.86 113.62 112.24 1vln n SER 225 Ca -0.22 -2.58 -0.22 0.00 -0.26 0.00 0.00 58.87 55.59 1vln n SER 225 Cb 0.68 -0.85 0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1vln n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vln n THR 226 N 0.52 0.00 -2.49 6.66 -2.24 -1.26 -0.22 114.28 115.26 1vln n THR 226 Ca 0.15 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1vln n THR 226 Cb 0.66 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1vln n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vln n GLY 227 N -1.62 3.32 0.00 3.38 0.00 -0.73 -3.09 105.19 106.44 1vln n GLY 227 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 14.00 0.08 0.00 1.61 -4.01 -1.26 -2.54 116.66 124.53 1vln n ARG 228 Ca 0.00 0.21 0.12 0.00 -1.04 0.00 0.00 57.85 57.14 1vln n ARG 228 Cb 0.00 -1.50 0.11 0.00 -3.04 0.00 0.00 32.46 28.03 1vln n ARG 228 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1vln n LEU 229 N -1.25 2.54 -2.10 2.89 4.77 -1.18 -4.99 117.00 117.68 1vln n LEU 229 Ca 0.03 -0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 55.03 1vln n LEU 229 Cb 0.04 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1vln n LEU 229 CO 0.04 0.44 -0.13 0.18 -1.33 0.00 0.00 177.39 176.58 1vln n LEU 230 N 0.79 -0.95 -0.48 2.23 4.77 -1.05 -1.52 117.00 120.79 1vln n LEU 230 Ca 0.13 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 56.29 1vln n LEU 230 Cb 0.54 -1.93 -0.03 0.00 -2.33 0.00 0.00 43.42 39.67 1vln n LEU 230 CO 0.20 -0.26 -0.06 0.61 -1.33 0.00 0.00 177.39 176.55 1vln n GLY 231 N -0.59 0.82 0.00 -0.72 0.00 0.69 -4.09 105.19 101.30 1vln n GLY 231 Ca -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.71 0.27 -4.34 0.99 4.77 -0.58 -4.45 117.00 112.95 1vln n LEU 232 Ca -0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.62 1vln n LEU 232 Cb 0.29 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 1vln n LEU 232 CO 0.09 0.04 -0.57 -0.36 -1.33 0.00 0.00 177.39 175.27 1vln s PHE 233 N -1.88 2.31 -0.24 -1.77 0.08 -1.11 -4.83 117.98 110.54 1vln s PHE 233 Ca 0.00 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 56.82 1vln s PHE 233 Cb 0.00 -1.38 0.12 0.00 -0.57 0.00 0.00 43.02 41.19 1vln s PHE 233 CO 0.00 0.13 1.41 -1.00 -0.10 0.00 0.00 175.22 175.66 1vln h PRO 234 N 4.78 0.00 -4.27 0.24 0.13 -1.92 -3.42 132.00 127.55 1vln h PRO 234 Ca -0.46 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 1vln h PRO 234 Cb 1.14 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1vln h PRO 234 CO 0.43 0.30 -0.37 0.16 -0.23 0.00 0.00 178.00 178.30 1vln s ASP 235 N -6.25 0.45 -0.24 1.44 1.47 -1.26 -4.93 116.67 107.35 1vln s ASP 235 Ca 0.04 -1.33 0.08 0.00 1.18 0.00 0.00 52.55 52.52 1vln s ASP 235 Cb 0.07 0.52 0.60 0.00 -0.34 0.00 0.00 42.92 43.77 1vln s ASP 235 CO 0.73 -1.05 1.56 0.00 0.68 0.00 0.00 175.17 177.09 1vln n ALA 236 N -0.41 4.04 1.82 2.11 0.00 -1.26 -4.73 120.51 122.07 1vln n ALA 236 Ca 0.01 -1.75 0.15 0.00 0.00 0.00 0.00 53.44 51.86 1vln n ALA 236 Cb 0.63 -1.18 0.79 0.00 0.00 0.00 0.00 19.45 19.69 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59