#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 4.55 -0.24 0.00 1.01 -1.26 -5.03 116.67 115.70 1vln s ASP 2 Ca 0.00 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 54.89 1vln s ASP 2 Cb 0.00 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 1vln s ASP 2 CO 0.00 -1.99 0.06 -0.89 0.21 0.00 0.00 175.17 172.56 1vln s THR 3 N -2.95 4.26 -0.07 -1.27 2.01 -1.26 -5.01 115.64 111.35 1vln s THR 3 Ca 0.61 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1vln s THR 3 Cb -0.16 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1vln s THR 3 CO 0.56 0.36 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.03 1vln s ILE 4 N 1.49 1.61 -0.15 1.82 -1.09 -1.26 -3.54 121.20 120.08 1vln s ILE 4 Ca 0.06 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 1vln s ILE 4 Cb -0.15 -1.40 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1vln s ILE 4 CO 0.03 0.46 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 1vln s VAL 5 N 0.24 0.96 0.08 2.92 1.01 -1.06 -0.20 120.40 124.35 1vln s VAL 5 Ca -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1vln s VAL 5 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1vln s VAL 5 CO 0.05 0.13 -0.06 0.00 0.00 0.00 0.00 175.10 175.21 1vln s ALA 6 N 1.70 0.79 -0.23 5.51 0.00 -0.12 -1.57 121.76 127.84 1vln s ALA 6 Ca 0.01 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1vln s ALA 6 Cb -0.15 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1vln s ALA 6 CO -0.07 -0.24 -0.10 0.08 0.00 0.00 0.00 175.76 175.42 1vln s VAL 7 N -3.40 1.83 0.16 0.00 1.01 -0.74 -0.01 120.40 119.26 1vln s VAL 7 Ca 0.07 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1vln s VAL 7 Cb 0.04 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1vln s VAL 7 CO -0.05 0.04 0.44 -1.83 0.00 0.00 0.00 175.10 173.70 1vln s GLU 8 N 1.28 3.72 -0.70 2.72 -1.05 0.15 -2.38 118.70 122.44 1vln s GLU 8 Ca -0.05 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 54.91 1vln s GLU 8 Cb -0.18 -2.82 0.17 0.00 -0.44 0.00 0.00 34.13 30.86 1vln s GLU 8 CO -0.07 0.44 0.50 -0.51 0.95 0.00 0.00 175.26 176.57 1vln s LEU 9 N -2.51 4.90 -0.50 1.83 1.02 0.46 -1.78 118.68 122.10 1vln s LEU 9 Ca 0.41 -3.60 -0.25 0.00 0.02 0.00 0.00 54.13 50.70 1vln s LEU 9 Cb -0.12 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.41 1vln s LEU 9 CO 0.22 -0.15 0.95 -0.62 0.02 0.00 0.00 176.35 176.77 1vln s ASP 10 N -0.84 6.45 0.15 2.29 -1.08 0.05 -1.91 116.67 121.78 1vln s ASP 10 Ca 0.23 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 1vln s ASP 10 Cb -0.10 -2.45 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 1vln s ASP 10 CO -0.12 -1.14 1.60 0.35 0.52 0.00 0.00 175.17 176.38 1vln n THR 11 N 6.38 0.44 -4.98 1.71 -2.24 -0.92 -1.59 114.28 113.08 1vln n THR 11 Ca 0.05 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1vln n THR 11 Cb 0.48 -0.37 -0.17 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.11 2.43 -0.63 4.78 5.04 -1.23 -4.66 117.35 119.97 1vln s TYR 12 Ca 0.09 -1.06 -0.27 0.00 -2.44 0.00 0.00 57.07 53.39 1vln s TYR 12 Cb 0.13 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.80 1vln s TYR 12 CO 0.64 -0.45 1.55 -2.14 -1.34 0.00 0.00 175.55 173.81 1vln s PRO 13 N 0.53 3.01 -0.92 4.97 0.02 -1.26 -4.91 135.00 136.43 1vln s PRO 13 Ca -0.15 0.30 -0.00 0.00 0.02 0.00 0.00 61.00 61.17 1vln s PRO 13 Cb -0.17 -4.25 0.29 0.00 0.02 0.00 0.00 34.50 30.39 1vln s PRO 13 CO 0.05 -2.31 1.22 0.09 -0.33 0.00 0.00 177.00 175.72 1vln n ASN 14 N 10.73 5.48 0.32 2.53 4.13 -1.26 -4.87 115.26 132.32 1vln n ASN 14 Ca 0.12 -3.43 0.19 0.00 1.68 0.00 0.00 54.58 53.15 1vln n ASN 14 Cb 0.50 -1.06 1.04 0.00 -1.54 0.00 0.00 39.78 38.72 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 3.34 0.00 0.00 3.41 1.35 -1.82 -1.46 112.91 117.73 1vln h THR 15 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1vln h THR 15 Cb 0.63 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1vln h THR 15 CO 1.16 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.53 1vln n ASP 16 N -2.92 0.00 -0.74 5.36 5.75 -1.26 -2.70 116.55 120.04 1vln n ASP 16 Ca -0.03 0.03 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1vln n ASP 16 Cb 0.16 -0.31 0.10 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.31 1.13 -0.43 2.12 -5.35 -0.57 -4.99 119.36 109.96 1vln n ILE 17 Ca 0.10 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 1vln n ILE 17 Cb 0.19 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.52 0.79 3.78 3.28 0.00 -1.10 -4.76 105.19 106.65 1vln n GLY 18 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 7.21 1.28 1.61 1.11 -1.10 -4.92 116.67 119.83 1vln s ASP 19 Ca 0.00 1.92 -0.21 0.00 0.18 0.00 0.00 52.55 54.44 1vln s ASP 19 Cb 0.00 -2.58 0.32 0.00 1.07 0.00 0.00 42.92 41.72 1vln s ASP 19 CO 0.00 -0.16 1.07 -2.16 1.18 0.00 0.00 175.17 175.09 1vln s PRO 20 N -2.09 -1.84 -0.29 8.23 0.04 -1.26 -4.15 135.00 133.64 1vln s PRO 20 Ca 0.51 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.49 1vln s PRO 20 Cb -0.20 -1.52 0.37 0.00 0.04 0.00 0.00 34.50 33.18 1vln s PRO 20 CO 0.26 -4.12 1.64 0.43 0.04 0.00 0.00 177.00 175.25 1vln n SER 21 N -5.05 4.10 -3.62 6.66 7.64 -1.26 -4.58 113.62 117.51 1vln n SER 21 Ca 0.14 -3.00 -0.09 0.00 1.01 0.00 0.00 58.87 56.94 1vln n SER 21 Cb 0.60 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1vln s TYR 22 N -1.99 -0.34 0.49 1.43 -0.85 -1.26 -4.99 117.35 109.83 1vln s TYR 22 Ca 0.34 0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.71 1vln s TYR 22 Cb 0.28 0.61 -0.08 0.00 0.38 0.00 0.00 41.96 43.16 1vln s TYR 22 CO 0.05 -0.91 1.17 -2.30 -1.52 0.00 0.00 175.55 172.04 1vln n PRO 23 N -0.40 1.54 -3.67 -3.49 -0.02 -1.26 -4.70 135.00 123.01 1vln n PRO 23 Ca -0.10 0.56 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1vln n PRO 23 Cb 0.62 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.30 -0.20 -0.02 6.00 -3.43 -0.62 -2.03 115.29 113.69 1vln s HIS 24 Ca 0.67 -0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.84 1vln s HIS 24 Cb -0.48 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 31.04 1vln s HIS 24 CO 0.53 -0.87 -0.10 0.96 -2.00 0.00 0.00 174.74 173.27 1vln s ILE 25 N -3.84 3.43 0.20 -5.38 -4.36 -0.71 -0.77 121.20 109.77 1vln s ILE 25 Ca 0.07 -0.74 -0.13 0.00 -0.26 0.00 0.00 60.65 59.59 1vln s ILE 25 Cb -0.01 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1vln s ILE 25 CO -0.06 0.48 0.42 -0.83 0.24 0.00 0.00 174.94 175.19 1vln s GLY 26 N -1.13 0.34 -0.23 6.27 0.00 -0.73 -1.28 107.32 110.56 1vln s GLY 26 Ca 0.14 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1vln s GLY 26 CO 0.04 -0.60 0.03 -0.42 0.00 0.00 0.00 173.10 172.15 1vln s ILE 27 N -3.96 4.03 -0.19 0.90 -1.09 -0.66 -0.68 121.20 119.55 1vln s ILE 27 Ca 0.17 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1vln s ILE 27 Cb 0.01 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 1vln s ILE 27 CO 0.02 0.37 -0.06 -1.81 -1.23 0.00 0.00 174.94 172.24 1vln s ASP 28 N 1.48 4.29 -0.39 3.58 1.01 0.98 -0.90 116.67 126.73 1vln s ASP 28 Ca 0.06 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1vln s ASP 28 Cb -0.15 -1.72 0.11 0.00 1.01 0.00 0.00 42.92 42.18 1vln s ASP 28 CO 0.02 0.04 0.12 -0.63 0.21 0.00 0.00 175.17 174.93 1vln s ILE 29 N 1.11 2.57 0.00 0.77 -1.09 -1.26 -0.95 121.20 122.35 1vln s ILE 29 Ca 0.01 -2.45 0.00 0.00 -2.23 0.00 0.00 60.65 55.98 1vln s ILE 29 Cb -0.15 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1vln s ILE 29 CO -0.01 -0.66 0.00 0.29 -1.23 0.00 0.00 174.94 173.34 1vln n LYS 30 N 4.13 -1.45 -3.72 2.79 5.02 0.72 -4.94 118.16 120.71 1vln n LYS 30 Ca 0.03 0.36 -0.14 0.00 -2.02 0.00 0.00 58.31 56.55 1vln n LYS 30 Cb 0.40 -4.59 -0.09 0.00 -0.02 0.00 0.00 35.03 30.73 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 -2.02 -0.39 0.00 4.39 0.15 -1.26 -4.95 113.70 109.62 1vln s SER 31 Ca 0.00 0.61 0.13 0.00 0.70 0.00 0.00 55.95 57.39 1vln s SER 31 Cb 0.00 0.67 0.57 0.00 -1.71 0.00 0.00 66.02 65.55 1vln s SER 31 CO 0.00 -0.28 1.42 0.55 1.20 0.00 0.00 173.24 176.13 1vln n VAL 32 N 2.19 1.07 -2.99 4.45 3.14 -1.26 -4.32 118.33 120.61 1vln n VAL 32 Ca -0.16 0.27 -0.44 0.00 -2.96 0.00 0.00 64.34 61.05 1vln n VAL 32 Cb 0.57 -1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 32.26 1vln n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1vln s ARG 33 N -2.99 3.11 0.33 1.45 0.52 -1.26 -5.01 118.95 115.10 1vln s ARG 33 Ca 0.07 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 1vln s ARG 33 Cb 0.09 -4.21 -0.13 0.00 0.52 0.00 0.00 34.95 31.21 1vln s ARG 33 CO 0.24 -1.60 0.85 0.43 0.02 0.00 0.00 175.30 175.24 1vln n SER 34 N 6.95 0.52 0.13 0.23 7.64 -1.26 -4.77 113.62 123.06 1vln n SER 34 Ca -0.06 1.09 0.01 0.00 1.01 0.00 0.00 58.87 60.92 1vln n SER 34 Cb 0.44 -1.22 0.07 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.53 0.00 -2.26 1.43 1.79 -1.36 -3.46 116.57 114.25 1vln h LYS 35 Ca -0.39 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 1vln h LYS 35 Cb 1.36 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.80 1vln h LYS 35 CO 0.57 0.59 0.01 0.21 -1.08 0.00 0.00 179.45 179.76 1vln s LYS 36 N -3.07 0.74 0.26 3.15 2.47 -1.25 -5.02 119.74 117.03 1vln s LYS 36 Ca 0.02 0.76 0.02 0.00 -1.56 0.00 0.00 55.97 55.21 1vln s LYS 36 Cb 0.09 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.78 1vln s LYS 36 CO 0.75 -0.11 0.14 0.95 0.16 0.00 0.00 175.35 177.24 1vln s THR 37 N 0.13 0.30 -0.10 3.43 -4.23 -1.26 -1.65 115.64 112.26 1vln s THR 37 Ca -0.01 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 1vln s THR 37 Cb -0.04 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1vln s THR 37 CO 0.02 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.57 1vln s ALA 38 N -3.78 -1.19 0.12 3.99 0.00 -0.40 -4.97 121.76 115.52 1vln s ALA 38 Ca 0.37 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1vln s ALA 38 Cb 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1vln s ALA 38 CO 0.15 -0.27 1.49 0.21 0.00 0.00 0.00 175.76 177.34 1vln s LYS 39 N -0.57 4.26 -0.15 0.00 2.20 -1.26 -1.74 119.74 122.48 1vln s LYS 39 Ca -0.07 2.20 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 1vln s LYS 39 Cb -0.03 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1vln s LYS 39 CO 0.04 -0.55 -0.17 -0.46 -0.36 0.00 0.00 175.35 173.85 1vln s TRP 40 N 1.43 2.39 -1.28 4.03 -0.00 -0.86 -4.82 118.94 119.83 1vln s TRP 40 Ca 0.68 -1.33 -0.12 0.00 -0.00 0.00 0.00 56.10 55.32 1vln s TRP 40 Cb -0.39 -1.70 0.15 0.00 -0.00 0.00 0.00 33.47 31.52 1vln s TRP 40 CO 0.30 -0.69 1.75 0.09 -0.00 0.00 0.00 176.95 178.41 1vln n ASN 41 N 4.58 4.99 -4.54 5.86 3.02 -1.26 -4.41 115.26 123.50 1vln n ASN 41 Ca -0.19 -3.02 -0.40 0.00 -0.03 0.00 0.00 54.58 50.94 1vln n ASN 41 Cb 0.50 -1.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.14 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 5.10 0.87 -3.97 3.52 0.00 -1.26 -4.98 117.12 116.39 1vln n MET 42 Ca 0.41 0.32 -0.31 0.00 -0.00 0.00 0.00 57.70 58.12 1vln n MET 42 Cb 0.40 -1.85 -0.15 0.00 0.00 0.00 0.00 33.22 31.61 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 -2.07 1.67 0.14 2.12 -0.21 -1.26 -5.10 119.66 114.95 1vln s GLN 43 Ca 0.67 -1.31 -0.31 0.00 0.02 0.00 0.00 55.36 54.43 1vln s GLN 43 Cb -0.51 -2.76 -0.11 0.00 1.00 0.00 0.00 33.01 30.63 1vln s GLN 43 CO 0.55 -0.71 1.80 1.21 -2.12 0.00 0.00 175.29 176.02 1vln s ASN 44 N 1.22 6.42 0.00 5.90 2.47 -1.26 -2.46 114.94 127.23 1vln s ASN 44 Ca -0.01 2.77 0.00 0.00 0.42 0.00 0.00 52.86 56.04 1vln s ASN 44 Cb -0.19 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1vln s ASN 44 CO -0.08 -0.99 0.00 0.61 -3.72 0.00 0.00 177.10 172.92 1vln n GLY 45 N 4.17 1.38 3.86 1.21 0.00 -0.46 -4.99 105.19 110.35 1vln n GLY 45 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.21 3.24 -0.06 1.61 3.01 -1.03 -4.96 119.74 121.34 1vln s LYS 46 Ca 0.00 -0.47 -0.27 0.00 -1.01 0.00 0.00 55.97 54.22 1vln s LYS 46 Cb 0.00 -2.95 -0.03 0.00 -1.01 0.00 0.00 37.83 33.84 1vln s LYS 46 CO 0.00 0.63 0.86 0.08 0.51 0.00 0.00 175.35 177.43 1vln s VAL 47 N -1.37 4.93 0.48 3.17 1.01 -1.26 -4.25 120.40 123.11 1vln s VAL 47 Ca 0.29 1.78 0.04 0.00 0.00 0.00 0.00 61.98 64.08 1vln s VAL 47 Cb -0.13 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1vln s VAL 47 CO 0.21 0.16 0.06 -0.83 0.00 0.00 0.00 175.10 174.71 1vln s GLY 48 N 0.96 2.76 -0.02 4.51 0.00 -0.23 -4.67 107.32 110.64 1vln s GLY 48 Ca 0.45 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 44.05 1vln s GLY 48 CO 0.21 -2.12 -0.05 -1.59 0.00 0.00 0.00 173.10 169.55 1vln s THR 49 N -2.80 0.46 -0.02 0.90 2.01 -0.78 -1.59 115.64 113.83 1vln s THR 49 Ca 0.20 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1vln s THR 49 Cb 0.04 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1vln s THR 49 CO 0.11 0.16 -0.25 0.00 -0.69 0.00 0.00 174.62 173.94 1vln s ALA 50 N 0.22 2.19 -0.07 7.40 0.00 -0.15 -1.57 121.76 129.77 1vln s ALA 50 Ca -0.02 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1vln s ALA 50 Cb -0.06 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1vln s ALA 50 CO -0.00 0.53 -0.15 -1.01 0.00 0.00 0.00 175.76 175.13 1vln s HIS 51 N -0.62 1.72 -0.05 0.00 3.76 0.10 -2.01 115.29 118.19 1vln s HIS 51 Ca 0.10 -0.66 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1vln s HIS 51 Cb -0.10 -1.22 -0.00 0.00 1.11 0.00 0.00 32.58 32.37 1vln s HIS 51 CO -0.01 -0.31 -0.17 0.42 -0.85 0.00 0.00 174.74 173.82 1vln s ILE 52 N 0.57 1.45 0.03 0.60 1.09 0.60 -1.68 121.20 123.86 1vln s ILE 52 Ca -0.15 -0.72 -0.00 0.00 -1.10 0.00 0.00 60.65 58.67 1vln s ILE 52 Cb -0.16 -1.25 -0.03 0.00 -1.06 0.00 0.00 42.46 39.96 1vln s ILE 52 CO 0.05 0.42 -0.03 0.27 -0.10 0.00 0.00 174.94 175.55 1vln s ILE 53 N 0.09 0.15 -0.07 2.92 -4.36 -1.02 -0.45 121.20 118.46 1vln s ILE 53 Ca -0.05 -1.23 -0.31 0.00 -0.26 0.00 0.00 60.65 58.80 1vln s ILE 53 Cb -0.12 -0.70 0.08 0.00 1.25 0.00 0.00 42.46 42.96 1vln s ILE 53 CO 0.03 -0.68 0.72 -0.47 0.24 0.00 0.00 174.94 174.78 1vln s TYR 54 N -2.32 -0.62 -0.11 1.37 5.04 -0.57 -2.63 117.35 117.50 1vln s TYR 54 Ca -0.08 1.08 -0.20 0.00 -2.44 0.00 0.00 57.07 55.42 1vln s TYR 54 Cb -0.04 0.41 0.05 0.00 0.35 0.00 0.00 41.96 42.73 1vln s TYR 54 CO -0.04 -0.57 0.50 0.54 -1.34 0.00 0.00 175.55 174.64 1vln s ASN 55 N -1.16 -0.48 0.09 4.32 2.20 -1.26 -1.86 114.94 116.79 1vln s ASN 55 Ca -0.10 0.72 0.17 0.00 -0.94 0.00 0.00 52.86 52.72 1vln s ASN 55 Cb -0.00 0.75 0.72 0.00 -2.00 0.00 0.00 41.25 40.72 1vln s ASN 55 CO 0.09 -0.35 1.53 -1.54 -2.94 0.00 0.00 177.10 173.89 1vln n SER 56 N 1.96 0.23 -0.06 3.54 3.41 -0.26 -0.59 113.62 121.85 1vln n SER 56 Ca -0.17 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1vln n SER 56 Cb 0.56 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.49 0.04 -3.33 2.07 -1.90 -3.37 116.25 111.26 1vln h VAL 57 Ca 0.00 -2.02 -0.24 0.00 0.82 0.00 0.00 66.70 65.25 1vln h VAL 57 Cb 0.27 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1vln h VAL 57 CO 0.00 0.49 -1.21 0.44 0.02 0.00 0.00 177.57 177.31 1vln h ASP 58 N -0.95 0.12 -5.84 0.57 3.32 -1.97 -3.48 116.42 108.18 1vln h ASP 58 Ca -0.00 -0.14 -0.38 0.00 0.02 0.00 0.00 57.03 56.52 1vln h ASP 58 Cb 0.81 -0.04 0.13 0.00 0.22 0.00 0.00 39.33 40.45 1vln h ASP 58 CO 0.00 1.12 -0.74 0.29 -1.72 0.00 0.00 179.24 178.19 1vln n LYS 59 N -3.35 -6.92 -4.47 3.56 5.02 0.24 -4.92 118.16 107.32 1vln n LYS 59 Ca -0.06 0.79 -0.23 0.00 -2.02 0.00 0.00 58.31 56.79 1vln n LYS 59 Cb 0.98 -5.77 -0.16 0.00 -0.02 0.00 0.00 35.03 30.06 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 -5.95 1.43 -0.32 1.97 3.52 -1.26 -0.74 118.95 117.60 1vln s ARG 60 Ca 0.31 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 1vln s ARG 60 Cb -0.14 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 32.00 1vln s ARG 60 CO 0.75 0.01 0.21 -1.17 -0.81 0.00 0.00 175.30 174.29 1vln s LEU 61 N 0.67 4.34 0.26 -0.88 2.96 0.14 -4.29 118.68 121.88 1vln s LEU 61 Ca -0.13 -0.37 0.11 0.00 -0.22 0.00 0.00 54.13 53.52 1vln s LEU 61 Cb -0.15 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1vln s LEU 61 CO 0.03 -0.19 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.30 1vln s SER 62 N 1.71 3.95 -0.12 3.68 0.01 -1.08 -1.22 113.70 120.63 1vln s SER 62 Ca 0.06 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.34 1vln s SER 62 Cb -0.17 -0.51 0.03 0.00 0.21 0.00 0.00 66.02 65.58 1vln s SER 62 CO 0.10 0.04 0.36 0.00 0.41 0.00 0.00 173.24 174.14 1vln s ALA 63 N -2.32 -0.89 -0.01 1.44 0.00 -0.60 -2.44 121.76 116.94 1vln s ALA 63 Ca 0.29 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1vln s ALA 63 Cb -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1vln s ALA 63 CO 0.16 -0.19 -0.12 0.08 0.00 0.00 0.00 175.76 175.70 1vln s VAL 64 N -0.07 0.94 0.01 0.00 1.01 -0.68 -1.69 120.40 119.92 1vln s VAL 64 Ca -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1vln s VAL 64 Cb -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1vln s VAL 64 CO 0.01 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.55 1vln s VAL 65 N -0.20 1.12 0.30 2.92 1.01 -0.01 -0.72 120.40 124.82 1vln s VAL 65 Ca 0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1vln s VAL 65 Cb -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1vln s VAL 65 CO -0.00 0.19 0.71 -0.94 0.00 0.00 0.00 175.10 175.05 1vln s SER 66 N -0.67 -0.19 0.02 3.32 1.04 -0.61 -1.16 113.70 115.46 1vln s SER 66 Ca 0.04 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1vln s SER 66 Cb -0.06 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1vln s SER 66 CO 0.00 -1.39 -0.07 -0.31 0.98 0.00 0.00 173.24 172.46 1vln s TYR 67 N -3.65 0.58 0.26 5.02 2.02 -1.26 -1.87 117.35 118.45 1vln s TYR 67 Ca 0.13 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.21 1vln s TYR 67 Cb -0.05 -0.36 -0.13 0.00 -0.40 0.00 0.00 41.96 41.01 1vln s TYR 67 CO 0.08 -0.05 1.30 -2.30 -1.57 0.00 0.00 175.55 173.01 1vln n PRO 68 N 2.11 1.86 -1.94 -1.71 -0.02 -1.26 -1.59 135.00 132.45 1vln n PRO 68 Ca -0.18 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 61.75 1vln n PRO 68 Cb 0.56 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.70 -5.61 -4.19 2.55 3.02 -1.26 -4.97 115.26 106.50 1vln n ASN 69 Ca 0.10 0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.72 1vln n ASN 69 Cb 0.32 -4.79 -0.09 0.00 -0.61 0.00 0.00 39.78 34.61 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vln s ALA 70 N -2.87 2.29 0.83 5.41 0.00 -0.62 -5.15 121.76 121.64 1vln s ALA 70 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 1vln s ALA 70 Cb 0.00 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.11 1vln s ALA 70 CO 0.00 -0.40 1.15 -0.51 0.00 0.00 0.00 175.76 176.00 1vln s ASP 71 N -3.46 4.33 0.22 0.00 1.01 -1.26 -4.65 116.67 112.86 1vln s ASP 71 Ca 0.33 0.91 0.08 0.00 0.71 0.00 0.00 52.55 54.58 1vln s ASP 71 Cb 0.06 -1.48 -0.04 0.00 1.01 0.00 0.00 42.92 42.47 1vln s ASP 71 CO 0.16 -2.03 0.01 -0.44 0.21 0.00 0.00 175.17 173.08 1vln s SER 72 N -4.35 4.71 -0.07 0.27 0.01 -1.26 -4.18 113.70 108.83 1vln s SER 72 Ca 0.62 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 57.43 1vln s SER 72 Cb -0.12 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 1vln s SER 72 CO 0.51 0.04 -0.24 0.00 0.41 0.00 0.00 173.24 173.96 1vln s ALA 73 N -2.03 2.23 0.02 1.44 0.00 -0.31 -4.96 121.76 118.15 1vln s ALA 73 Ca 0.30 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1vln s ALA 73 Cb -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1vln s ALA 73 CO 0.20 0.40 -0.09 0.99 0.00 0.00 0.00 175.76 177.26 1vln s THR 74 N -0.12 0.69 0.01 0.00 2.01 -1.26 -0.83 115.64 116.14 1vln s THR 74 Ca -0.04 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1vln s THR 74 Cb -0.14 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 1vln s THR 74 CO 0.04 -0.01 0.09 0.54 -0.69 0.00 0.00 174.62 174.59 1vln s VAL 75 N -0.64 0.09 0.04 3.82 0.11 -0.69 -4.81 120.40 118.32 1vln s VAL 75 Ca -0.01 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1vln s VAL 75 Cb -0.06 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1vln s VAL 75 CO 0.00 -0.39 0.08 -0.44 -3.33 0.00 0.00 175.10 171.02 1vln s SER 76 N -1.32 0.20 -0.24 3.54 0.01 -1.26 -1.55 113.70 113.08 1vln s SER 76 Ca -0.14 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 1vln s SER 76 Cb -0.08 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.45 1vln s SER 76 CO 0.01 -0.49 0.56 -0.47 0.41 0.00 0.00 173.24 173.26 1vln s TYR 77 N -2.53 -0.93 -0.41 2.43 5.04 -0.35 -4.93 117.35 115.66 1vln s TYR 77 Ca -0.06 1.82 -0.29 0.00 -2.44 0.00 0.00 57.07 56.10 1vln s TYR 77 Cb -0.02 0.50 0.02 0.00 0.35 0.00 0.00 41.96 42.81 1vln s TYR 77 CO -0.04 -0.49 1.25 -0.51 -1.34 0.00 0.00 175.55 174.42 1vln s ASP 78 N 1.90 6.57 -0.07 4.32 1.01 -1.26 -0.68 116.67 128.46 1vln s ASP 78 Ca -0.08 0.77 -0.03 0.00 0.71 0.00 0.00 52.55 53.92 1vln s ASP 78 Cb -0.08 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.34 1vln s ASP 78 CO -0.17 -1.25 0.14 0.54 0.21 0.00 0.00 175.17 174.65 1vln s VAL 79 N 4.70 -0.11 -0.74 -1.27 0.11 0.08 -4.97 120.40 118.21 1vln s VAL 79 Ca 0.54 0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 59.63 1vln s VAL 79 Cb -0.11 -0.24 0.12 0.00 -1.53 0.00 0.00 36.38 34.61 1vln s VAL 79 CO 0.29 0.10 0.90 -0.62 -3.33 0.00 0.00 175.10 172.43 1vln s ASP 80 N 1.48 6.38 0.18 3.54 2.15 -1.26 -4.29 116.67 124.85 1vln s ASP 80 Ca -0.06 -1.67 0.15 0.00 0.43 0.00 0.00 52.55 51.40 1vln s ASP 80 Cb -0.12 -2.35 0.72 0.00 -0.30 0.00 0.00 42.92 40.88 1vln s ASP 80 CO -0.06 -1.11 1.45 0.18 -0.17 0.00 0.00 175.17 175.46 1vln n LEU 81 N 6.42 0.34 -0.12 -1.34 4.77 -1.26 -1.84 117.00 123.97 1vln n LEU 81 Ca 0.05 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1vln n LEU 81 Cb 0.46 -0.65 0.31 0.00 -2.33 0.00 0.00 43.42 41.21 1vln n LEU 81 CO 0.54 -0.67 1.19 0.44 -1.33 0.00 0.00 177.39 177.57 1vln h ASP 82 N 0.00 0.70 -0.41 -1.43 3.32 -1.90 -0.04 116.42 116.66 1vln h ASP 82 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1vln h ASP 82 Cb 0.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1vln h ASP 82 CO 0.00 0.52 0.00 0.59 -1.72 0.00 0.00 179.24 178.63 1vln n ASN 83 N -4.43 2.52 0.00 6.45 3.02 -0.77 -4.51 115.26 117.55 1vln n ASN 83 Ca 0.06 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1vln n ASN 83 Cb 0.05 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 0.87 0.02 -3.97 2.41 0.31 -0.57 -5.09 118.33 112.32 1vln n VAL 84 Ca 0.17 0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.23 1vln n VAL 84 Cb 0.42 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 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 -5.91 4.22 1.17 7.52 1.43 -0.13 -4.97 118.68 122.01 1vln s LEU 85 Ca 0.00 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1vln s LEU 85 Cb 0.00 -2.82 0.28 0.00 0.03 0.00 0.00 46.19 43.68 1vln s LEU 85 CO 0.00 0.09 1.16 -2.84 0.23 0.00 0.00 176.35 174.99 1vln s PRO 86 N -2.99 -0.99 0.16 1.29 0.02 -1.26 -4.75 135.00 126.47 1vln s PRO 86 Ca 0.34 -0.21 -0.09 0.00 0.02 0.00 0.00 61.00 61.06 1vln s PRO 86 Cb -0.11 -1.64 -0.00 0.00 0.02 0.00 0.00 34.50 32.77 1vln s PRO 86 CO 0.27 -3.54 1.49 1.49 -0.33 0.00 0.00 177.00 176.39 1vln h GLU 87 N -2.45 0.87 -5.47 5.54 4.81 -1.95 -3.43 114.58 112.50 1vln h GLU 87 Ca -0.44 -0.47 -0.66 0.00 -0.13 0.00 0.00 59.36 57.67 1vln h GLU 87 Cb 1.27 0.02 -0.24 0.00 0.63 0.00 0.00 28.75 30.43 1vln h GLU 87 CO 0.32 1.11 -0.73 -1.58 -0.73 0.00 0.00 179.01 177.40 1vln s TRP 88 N -4.35 2.87 0.34 0.92 0.52 -1.26 -1.85 118.94 116.13 1vln s TRP 88 Ca -0.10 -0.45 0.06 0.00 0.02 0.00 0.00 56.10 55.62 1vln s TRP 88 Cb 0.11 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 1vln s TRP 88 CO 0.87 -0.08 0.33 1.33 0.02 0.00 0.00 176.95 179.42 1vln n VAL 89 N 3.30 0.00 -4.65 4.03 0.24 -0.54 -4.38 118.33 116.33 1vln n VAL 89 Ca -0.18 -2.29 -0.23 0.00 -2.04 0.00 0.00 64.34 59.60 1vln n VAL 89 Cb 0.53 1.19 -0.15 0.00 -1.47 0.00 0.00 33.84 33.94 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 -3.23 1.24 0.13 7.34 0.52 -0.64 -0.22 118.95 124.10 1vln s ARG 90 Ca 0.37 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 1vln s ARG 90 Cb 0.01 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 1vln s ARG 90 CO 0.27 0.33 0.02 0.14 0.02 0.00 0.00 175.30 176.08 1vln s VAL 91 N -0.56 3.98 0.07 3.52 -7.23 -1.26 -1.29 120.40 117.63 1vln s VAL 91 Ca 0.05 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.96 1vln s VAL 91 Cb -0.07 -2.96 0.03 0.00 0.56 0.00 0.00 36.38 33.95 1vln s VAL 91 CO 0.00 -0.00 0.46 0.61 -0.31 0.00 0.00 175.10 175.86 1vln n GLY 92 N 0.16 0.96 3.08 2.32 0.00 -0.09 -2.58 105.19 109.04 1vln n GLY 92 Ca -0.10 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 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 1.77 0.07 0.99 1.43 -0.33 -1.36 118.68 121.24 1vln s LEU 93 Ca 0.10 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1vln s LEU 93 Cb -0.01 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1vln s LEU 93 CO 0.02 0.07 -0.18 -0.55 0.23 0.00 0.00 176.35 175.95 1vln s SER 94 N 0.56 2.11 0.00 2.29 0.15 0.64 -1.17 113.70 118.27 1vln s SER 94 Ca -0.15 -0.58 -0.19 0.00 0.70 0.00 0.00 55.95 55.73 1vln s SER 94 Cb -0.16 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1vln s SER 94 CO 0.05 0.04 0.42 0.00 1.20 0.00 0.00 173.24 174.95 1vln s ALA 95 N -1.03 -1.05 0.13 5.45 0.00 -0.78 0.28 121.76 124.76 1vln s ALA 95 Ca 0.03 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1vln s ALA 95 Cb -0.09 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1vln s ALA 95 CO 0.03 -0.35 0.31 -1.54 0.00 0.00 0.00 175.76 174.20 1vln s SER 96 N -1.56 -0.05 0.11 0.00 1.04 -1.12 -2.14 113.70 109.98 1vln s SER 96 Ca -0.10 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1vln s SER 96 Cb -0.03 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1vln s SER 96 CO 0.03 -0.83 -0.04 0.42 0.98 0.00 0.00 173.24 173.79 1vln s THR 97 N -3.87 0.60 0.00 2.02 -4.23 -0.38 -0.82 115.64 108.97 1vln s THR 97 Ca 0.07 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1vln s THR 97 Cb 0.03 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1vln s THR 97 CO -0.08 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 1vln n GLY 98 N -0.07 4.37 0.28 3.99 0.00 -1.26 -0.96 105.19 111.54 1vln n GLY 98 Ca -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 0.80-10.36 0.99 5.85 -1.96 -1.83 115.31 108.79 1vln h LEU 99 Ca 0.00 -0.02 -0.43 0.00 0.84 0.00 0.00 57.88 58.27 1vln h LEU 99 Cb 0.00 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.84 1vln h LEU 99 CO 0.00 0.58 -0.31 -0.31 -0.34 0.00 0.00 178.44 178.06 1vln s TYR 100 N -6.14 3.01 0.28 1.25 2.02 -1.26 -4.89 117.35 111.62 1vln s TYR 100 Ca -0.13 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 1vln s TYR 100 Cb 0.14 -2.14 -0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1vln s TYR 100 CO 0.77 -0.16 0.46 -1.59 -1.57 0.00 0.00 175.55 173.46 1vln s LYS 101 N -4.24 1.68 0.02 -0.62 0.00 -1.23 -4.60 119.74 110.74 1vln s LYS 101 Ca 0.49 -1.48 -0.29 0.00 0.00 0.00 0.00 55.97 54.69 1vln s LYS 101 Cb -0.10 0.45 0.10 0.00 0.00 0.00 0.00 37.83 38.28 1vln s LYS 101 CO 0.32 -0.69 1.02 -1.83 0.00 0.00 0.00 175.35 174.17 1vln s GLU 102 N -3.60 0.81 0.19 1.78 -1.05 -1.17 -3.85 118.70 111.82 1vln s GLU 102 Ca 0.27 -0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 54.47 1vln s GLU 102 Cb -0.00 0.32 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 1vln s GLU 102 CO 0.13 -0.36 0.75 0.95 0.95 0.00 0.00 175.26 177.69 1vln s THR 103 N -2.97 4.45 -0.61 1.83 -4.23 -0.16 -4.74 115.64 109.21 1vln s THR 103 Ca 0.09 1.53 0.06 0.00 -1.18 0.00 0.00 61.69 62.20 1vln s THR 103 Cb -0.00 -4.02 0.26 0.00 1.34 0.00 0.00 72.50 70.08 1vln s THR 103 CO -0.04 0.39 0.75 0.59 -0.54 0.00 0.00 174.62 175.77 1vln n ASN 104 N 1.24 3.50 -4.71 3.99 4.13 -1.26 -3.54 115.26 118.61 1vln n ASN 104 Ca -0.04 -3.40 -0.39 0.00 1.68 0.00 0.00 54.58 52.43 1vln n ASN 104 Cb 0.50 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 38.02 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 -2.56 5.11 -0.21 3.41 2.01 -1.12 -2.17 115.64 120.11 1vln s THR 105 Ca 0.40 1.15 -0.06 0.00 0.31 0.00 0.00 61.69 63.49 1vln s THR 105 Cb 0.17 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1vln s THR 105 CO -0.03 0.25 0.03 -0.63 -0.69 0.00 0.00 174.62 173.56 1vln s ILE 106 N 0.97 4.26 -0.13 1.82 -1.09 0.56 -0.84 121.20 126.75 1vln s ILE 106 Ca 0.30 -0.21 0.15 0.00 -2.23 0.00 0.00 60.65 58.66 1vln s ILE 106 Cb -0.16 -2.94 -0.24 0.00 -1.58 0.00 0.00 42.46 37.54 1vln s ILE 106 CO 0.13 0.41 0.33 0.18 -1.23 0.00 0.00 174.94 174.76 1vln n LEU 107 N 4.23 0.49 -3.49 2.97 4.32 -0.73 -1.78 117.00 123.01 1vln n LEU 107 Ca -0.17 0.19 -0.15 0.00 -0.02 0.00 0.00 56.01 55.86 1vln n LEU 107 Cb 0.52 0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 42.57 1vln n LEU 107 CO 0.32 0.46 0.40 -0.94 -1.22 0.00 0.00 177.39 176.41 1vln s SER 108 N -5.80 -0.59 -0.20 -1.43 1.04 -1.23 -4.45 113.70 101.05 1vln s SER 108 Ca -0.08 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 1vln s SER 108 Cb 0.07 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.81 1vln s SER 108 CO 0.82 -0.77 0.47 0.86 0.98 0.00 0.00 173.24 175.61 1vln s TRP 109 N -2.39 -0.71 0.07 5.02 -0.00 -0.29 -2.17 118.94 118.46 1vln s TRP 109 Ca -0.05 1.49 0.05 0.00 -0.00 0.00 0.00 56.10 57.58 1vln s TRP 109 Cb -0.01 0.35 -0.03 0.00 -0.00 0.00 0.00 33.47 33.79 1vln s TRP 109 CO -0.01 -0.39 -0.13 -1.12 -0.00 0.00 0.00 176.95 175.30 1vln s SER 110 N 1.48 1.56 -0.09 5.86 0.01 -0.02 -0.64 113.70 121.86 1vln s SER 110 Ca -0.10 -0.61 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 1vln s SER 110 Cb -0.08 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.14 1vln s SER 110 CO -0.14 -0.10 0.27 0.12 0.41 0.00 0.00 173.24 173.80 1vln s PHE 111 N -1.30 -0.28 -0.08 2.43 5.36 -0.66 -2.12 117.98 121.33 1vln s PHE 111 Ca -0.03 0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 56.56 1vln s PHE 111 Cb -0.10 0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.72 1vln s PHE 111 CO 0.02 -0.17 0.20 0.99 -1.46 0.00 0.00 175.22 174.80 1vln s THR 112 N -0.02 -0.04 -0.02 0.12 2.01 -0.88 -1.73 115.64 115.08 1vln s THR 112 Ca -0.02 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1vln s THR 112 Cb -0.02 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1vln s THR 112 CO 0.01 0.06 -0.00 -0.94 -0.69 0.00 0.00 174.62 173.06 1vln s SER 113 N 1.14 0.34 0.05 3.53 1.04 -0.63 -1.48 113.70 117.69 1vln s SER 113 Ca -0.09 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1vln s SER 113 Cb -0.10 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1vln s SER 113 CO -0.07 -0.07 -0.23 -0.54 0.98 0.00 0.00 173.24 173.32 1vln s LYS 114 N 0.74 1.52 -0.19 4.02 1.02 -0.18 -1.88 119.74 124.79 1vln s LYS 114 Ca -0.07 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 1vln s LYS 114 Cb -0.10 -1.68 0.07 0.00 -0.52 0.00 0.00 37.83 35.60 1vln s LYS 114 CO -0.01 0.43 0.08 -1.17 -0.92 0.00 0.00 175.35 173.76 1vln s LEU 115 N -1.26 0.60 -0.24 3.17 2.96 -0.47 -1.22 118.68 122.22 1vln s LEU 115 Ca 0.09 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 1vln s LEU 115 Cb -0.09 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 1vln s LEU 115 CO 0.02 -0.35 0.37 -0.75 -1.32 0.00 0.00 176.35 174.32 1vln s LYS 116 N 2.06 4.09 0.00 1.98 2.20 0.56 -1.19 119.74 129.44 1vln s LYS 116 Ca 0.02 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1vln s LYS 116 Cb -0.16 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1vln s LYS 116 CO -0.12 -0.15 0.00 -1.13 -0.36 0.00 0.00 175.35 173.59 1vln n SER 117 N 4.88 0.19 -4.10 1.43 3.41 -0.68 0.66 113.62 119.42 1vln n SER 117 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.09 1vln n SER 117 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1vln n SER 117 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vln n ASN 118 N 0.00 5.69 -3.53 4.04 3.02 -0.88 -4.42 115.26 119.17 1vln n ASN 118 Ca 0.00 -3.19 -0.11 0.00 -0.03 0.00 0.00 54.58 51.25 1vln n ASN 118 Cb 0.00 -1.40 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1vln s SER 119 N 0.28 -0.42 -0.21 6.41 0.01 -1.26 -5.09 113.70 113.41 1vln s SER 119 Ca 0.35 0.29 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 1vln s SER 119 Cb 0.02 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.63 1vln s SER 119 CO 0.03 -0.51 1.15 -0.89 0.41 0.00 0.00 173.24 173.43 1vln s THR 120 N -1.96 4.47 0.00 1.44 2.01 -1.26 -3.12 115.64 117.21 1vln s THR 120 Ca -0.01 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1vln s THR 120 Cb -0.01 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1vln s THR 120 CO -0.02 -0.19 0.00 0.00 -0.69 0.00 0.00 174.62 173.72 1vln n HIS 121 N 6.54 0.00 -1.98 4.92 1.44 -1.26 -4.96 115.22 119.92 1vln n HIS 121 Ca 0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 1vln n HIS 121 Cb 0.46 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.49 1vln n HIS 121 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1vln n GLU 122 N -2.00 1.72 -4.64 -1.40 4.71 -1.18 -4.89 120.64 112.96 1vln n GLU 122 Ca 0.00 -2.45 -0.32 0.00 -0.01 0.00 0.00 57.16 54.37 1vln n GLU 122 Cb 0.00 -3.60 -0.12 0.00 -1.01 0.00 0.00 31.44 26.71 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 9.68 3.32 0.02 2.62 2.01 -1.26 -1.68 115.64 130.35 1vln s THR 123 Ca 0.66 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.92 1vln s THR 123 Cb 0.02 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1vln s THR 123 CO 0.13 0.46 -0.20 0.20 -0.69 0.00 0.00 174.62 174.52 1vln s ASN 124 N -1.16 3.59 0.03 3.53 -0.87 -0.34 -4.96 114.94 114.77 1vln s ASN 124 Ca 0.14 -0.43 -0.05 0.00 -1.57 0.00 0.00 52.86 50.95 1vln s ASN 124 Cb -0.11 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 40.57 1vln s ASN 124 CO 0.04 0.28 0.08 0.00 -2.57 0.00 0.00 177.10 174.93 1vln s ALA 125 N -0.83 -0.05 -0.01 0.60 0.00 -1.26 -1.37 121.76 118.84 1vln s ALA 125 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1vln s ALA 125 Cb -0.10 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1vln s ALA 125 CO 0.03 -0.28 -0.01 -1.17 0.00 0.00 0.00 175.76 174.33 1vln s LEU 126 N -1.97 1.77 -0.15 0.00 2.96 -0.79 -5.00 118.68 115.50 1vln s LEU 126 Ca -0.07 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1vln s LEU 126 Cb -0.03 -0.10 0.05 0.00 0.50 0.00 0.00 46.19 46.61 1vln s LEU 126 CO -0.03 -0.02 0.38 -2.28 -1.32 0.00 0.00 176.35 173.08 1vln s HIS 127 N 0.25 -0.48 -0.00 5.38 5.65 -1.26 -1.60 115.29 123.23 1vln s HIS 127 Ca -0.02 1.09 -0.04 0.00 0.25 0.00 0.00 55.06 56.34 1vln s HIS 127 Cb -0.04 0.18 -0.00 0.00 -1.18 0.00 0.00 32.58 31.54 1vln s HIS 127 CO -0.01 -0.26 0.08 -0.59 -0.65 0.00 0.00 174.74 173.32 1vln s PHE 128 N 0.74 0.06 -0.08 3.88 -0.12 -0.70 -5.01 117.98 116.74 1vln s PHE 128 Ca -0.04 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.68 1vln s PHE 128 Cb -0.05 -0.06 0.05 0.00 -0.63 0.00 0.00 43.02 42.32 1vln s PHE 128 CO -0.05 -0.20 0.17 1.41 -0.05 0.00 0.00 175.22 176.50 1vln s MET 129 N -1.00 0.07 -0.24 1.99 1.75 -1.26 -1.65 119.30 118.95 1vln s MET 129 Ca -0.11 0.50 0.00 0.00 -1.25 0.00 0.00 55.69 54.84 1vln s MET 129 Cb -0.06 -0.22 0.04 0.00 2.84 0.00 0.00 34.83 37.43 1vln s MET 129 CO 0.00 -0.25 -0.10 -0.06 -0.65 0.00 0.00 175.02 173.97 1vln s PHE 130 N 1.84 3.09 -1.75 4.11 0.08 0.19 -4.92 117.98 120.63 1vln s PHE 130 Ca -0.02 -1.85 0.14 0.00 0.12 0.00 0.00 56.93 55.32 1vln s PHE 130 Cb -0.12 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 1vln s PHE 130 CO -0.06 -0.80 0.94 0.09 -0.10 0.00 0.00 175.22 175.29 1vln n ASN 131 N 4.58 2.13 -3.61 1.36 3.02 -1.26 -1.14 115.26 120.34 1vln n ASN 131 Ca -0.16 -1.56 -0.15 0.00 -0.03 0.00 0.00 54.58 52.67 1vln n ASN 131 Cb 0.46 0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 1vln n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1vln s GLN 132 N -1.25 0.87 -0.11 3.52 -1.52 -1.26 -4.85 119.66 115.06 1vln s GLN 132 Ca 0.16 0.55 0.03 0.00 -1.95 0.00 0.00 55.36 54.16 1vln s GLN 132 Cb 0.12 0.42 0.00 0.00 -0.22 0.00 0.00 33.01 33.33 1vln s GLN 132 CO 0.20 -0.19 -0.22 -0.06 -0.25 0.00 0.00 175.29 174.76 1vln s PHE 133 N -0.42 2.46 0.55 0.91 0.40 -0.36 -5.03 117.98 116.50 1vln s PHE 133 Ca -0.06 -1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 55.19 1vln s PHE 133 Cb -0.03 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1vln s PHE 133 CO 0.05 -0.45 0.80 -1.54 0.70 0.00 0.00 175.22 174.78 1vln s SER 134 N 0.50 5.43 0.03 1.36 1.04 -1.26 -3.53 113.70 117.27 1vln s SER 134 Ca -0.15 0.28 0.21 0.00 0.48 0.00 0.00 55.95 56.77 1vln s SER 134 Cb -0.17 -1.26 0.89 0.00 0.10 0.00 0.00 66.02 65.58 1vln s SER 134 CO 0.06 -1.06 1.68 2.29 0.98 0.00 0.00 173.24 177.18 1vln n LYS 135 N -2.40 0.03 -3.20 4.02 0.00 -1.26 -3.20 118.16 112.15 1vln n LYS 135 Ca 0.05 0.16 -0.24 0.00 -0.00 0.00 0.00 58.31 58.29 1vln n LYS 135 Cb 0.59 -1.54 -0.06 0.00 -0.00 0.00 0.00 35.03 34.02 1vln n LYS 135 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1vln n ASP 136 N -1.58 2.09 -4.52 -5.58 2.03 -1.26 -4.83 116.55 102.90 1vln n ASP 136 Ca 0.05 -3.16 -0.38 0.00 0.52 0.00 0.00 54.79 51.82 1vln n ASP 136 Cb 0.25 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 1vln n ASP 136 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1vln n GLN 137 N 0.67 2.59 0.00 -0.67 -0.06 -1.22 -4.83 117.38 113.86 1vln n GLN 137 Ca 0.26 -2.93 0.01 0.00 -2.00 0.00 0.00 57.00 52.33 1vln n GLN 137 Cb 0.50 -3.56 0.03 0.00 -4.06 0.00 0.00 30.24 23.16 1vln n GLN 137 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1vln n LYS 138 N 8.22 0.01 -0.56 3.69 5.02 -1.26 -2.15 118.16 131.12 1vln n LYS 138 Ca 0.48 0.41 0.09 0.00 -2.02 0.00 0.00 58.31 57.26 1vln n LYS 138 Cb 0.46 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.43 4.53 -4.17 4.39 5.68 -1.26 -4.91 116.55 119.38 1vln n ASP 139 Ca 0.00 -2.46 -0.22 0.00 -0.50 0.00 0.00 54.79 51.62 1vln n ASP 139 Cb 0.02 -0.54 -0.14 0.00 -1.14 0.00 0.00 41.12 39.31 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 -1.86 2.16 -0.38 -2.12 1.43 -0.91 -0.90 118.68 116.09 1vln s LEU 140 Ca 0.48 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1vln s LEU 140 Cb 0.31 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.87 1vln s LEU 140 CO 0.22 0.08 0.21 -0.63 0.23 0.00 0.00 176.35 176.46 1vln s ILE 141 N -0.80 4.40 -0.11 -0.59 1.01 0.48 -4.84 121.20 120.75 1vln s ILE 141 Ca 0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 1vln s ILE 141 Cb -0.08 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1vln s ILE 141 CO 0.01 -0.31 0.36 -0.76 0.00 0.00 0.00 174.94 174.24 1vln s LEU 142 N 1.50 4.31 0.14 2.97 1.43 -1.26 -1.07 118.68 126.70 1vln s LEU 142 Ca 0.02 0.68 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 1vln s LEU 142 Cb -0.20 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1vln s LEU 142 CO 0.05 0.14 -0.22 -1.10 0.23 0.00 0.00 176.35 175.45 1vln s GLN 143 N 0.08 1.27 7.60 1.70 -0.21 0.36 -4.98 119.66 125.48 1vln s GLN 143 Ca 0.20 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1vln s GLN 143 Cb -0.14 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.33 1vln s GLN 143 CO 0.08 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 1vln n GLY 144 N 0.72 2.98 0.39 3.09 0.00 -1.26 -1.72 105.19 109.38 1vln n GLY 144 Ca -0.17 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 5.35 1.19 -4.77 1.61 8.00 0.12 -4.95 116.55 123.11 1vln n ASP 145 Ca 0.00 -1.48 -0.41 0.00 0.71 0.00 0.00 54.79 53.61 1vln n ASP 145 Cb 0.00 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.93 3.49 0.09 2.24 0.00 -1.17 -4.51 121.76 119.96 1vln s ALA 146 Ca 0.37 1.23 -0.10 0.00 0.00 0.00 0.00 51.96 53.46 1vln s ALA 146 Cb 0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1vln s ALA 146 CO 0.31 -0.60 0.22 0.95 0.00 0.00 0.00 175.76 176.64 1vln s THR 147 N -1.12 0.13 0.27 0.00 -4.23 -0.72 -4.71 115.64 105.25 1vln s THR 147 Ca 0.49 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1vln s THR 147 Cb -0.39 -1.26 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 1vln s THR 147 CO 0.52 -0.59 0.02 0.35 -0.54 0.00 0.00 174.62 174.38 1vln n THR 148 N 0.02 0.00 0.00 3.99 -2.24 -1.26 -1.22 114.28 113.57 1vln n THR 148 Ca -0.16 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1vln n THR 148 Cb 0.62 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.39 2.98 3.57 3.38 0.00 -0.93 -4.64 105.19 110.93 1vln n GLY 149 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1vln n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vln s THR 150 N -0.99 3.25 -0.84 2.61 -4.23 -1.22 -2.15 115.64 112.06 1vln s THR 150 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1vln s THR 150 Cb 0.00 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1vln s THR 150 CO 0.00 -0.49 0.00 0.47 -0.54 0.00 0.00 174.62 174.06 1vln n ASP 151 N 16.68 -3.49 -0.08 3.99 8.00 -1.26 -2.34 116.55 138.05 1vln n ASP 151 Ca 0.43 0.08 -0.01 0.00 0.71 0.00 0.00 54.79 56.00 1vln n ASP 151 Cb 0.46 -2.38 -0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vln n GLY 152 N -1.35 0.50 3.83 0.44 0.00 -0.91 -5.00 105.19 102.69 1vln n GLY 152 Ca -0.10 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.40 4.73 -0.22 1.61 0.01 -0.99 -1.22 114.94 116.46 1vln s ASN 153 Ca 0.00 -0.98 -0.02 0.00 -0.71 0.00 0.00 52.86 51.16 1vln s ASN 153 Cb 0.00 -0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.35 1vln s ASN 153 CO 0.00 -0.71 -0.10 -0.22 -1.51 0.00 0.00 177.10 174.56 1vln s LEU 154 N -4.08 2.75 -0.37 0.60 2.96 -0.73 -2.20 118.68 117.61 1vln s LEU 154 Ca 0.42 -0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1vln s LEU 154 Cb -0.00 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.06 1vln s LEU 154 CO 0.24 -0.05 0.26 -1.61 -1.32 0.00 0.00 176.35 173.88 1vln s GLU 155 N 1.37 3.19 0.19 1.98 0.41 -0.36 -0.33 118.70 125.15 1vln s GLU 155 Ca 0.04 -0.86 0.05 0.00 -0.41 0.00 0.00 54.97 53.79 1vln s GLU 155 Cb -0.15 -3.86 0.06 0.00 -1.78 0.00 0.00 34.13 28.40 1vln s GLU 155 CO -0.07 -0.60 1.43 -0.07 -0.49 0.00 0.00 175.26 175.46 1vln h LEU 156 N 8.54 0.16 -9.30 1.80 3.38 -1.71 -1.93 115.31 116.25 1vln h LEU 156 Ca -0.29 -0.12 -0.51 0.00 0.09 0.00 0.00 57.88 57.04 1vln h LEU 156 Cb 1.14 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1vln h LEU 156 CO 0.68 0.90 -0.62 0.42 0.09 0.00 0.00 178.44 179.91 1vln s THR 157 N -3.26 1.49 0.26 0.22 -4.23 -1.26 -2.48 115.64 106.38 1vln s THR 157 Ca -0.02 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.16 1vln s THR 157 Cb 0.11 -2.75 -0.11 0.00 1.34 0.00 0.00 72.50 71.09 1vln s THR 157 CO 0.81 -0.08 1.52 -0.13 -0.54 0.00 0.00 174.62 176.20 1vln s ARG 158 N -3.81 4.20 -0.05 3.99 1.81 -1.26 -4.85 118.95 118.98 1vln s ARG 158 Ca 0.34 2.43 0.00 0.00 -1.72 0.00 0.00 55.73 56.79 1vln s ARG 158 Cb 0.08 -3.07 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 1vln s ARG 158 CO 0.15 -0.53 -0.03 0.08 -0.68 0.00 0.00 175.30 174.29 1vln s VAL 159 N 0.08 0.48 1.10 3.52 1.01 -1.26 -0.54 120.40 124.79 1vln s VAL 159 Ca 0.62 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1vln s VAL 159 Cb -0.45 -0.55 0.25 0.00 0.00 0.00 0.00 36.38 35.62 1vln s VAL 159 CO 0.44 0.24 1.06 -0.94 0.00 0.00 0.00 175.10 175.90 1vln s SER 160 N 1.28 1.66 0.32 3.32 1.04 0.24 -4.83 113.70 116.73 1vln s SER 160 Ca -0.05 1.32 0.21 0.00 0.48 0.00 0.00 55.95 57.90 1vln s SER 160 Cb -0.14 -2.05 1.12 0.00 0.10 0.00 0.00 66.02 65.05 1vln s SER 160 CO -0.02 -3.75 1.62 -1.20 0.98 0.00 0.00 173.24 170.87 1vln n SER 161 N -4.60 0.54 -1.30 7.02 7.64 -1.26 -1.27 113.62 120.39 1vln n SER 161 Ca 0.04 0.74 0.08 0.00 1.01 0.00 0.00 58.87 60.74 1vln n SER 161 Cb 0.56 -0.80 0.31 0.00 -1.01 0.00 0.00 64.21 63.27 1vln n SER 161 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1vln n ASN 162 N -2.23 4.39 0.00 6.43 0.23 -1.26 -4.94 115.26 117.88 1vln n ASN 162 Ca -0.01 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 1vln n ASN 162 Cb 0.07 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 1vln n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vln n GLY 163 N 0.53 0.42 3.69 4.83 0.00 -0.40 -5.04 105.19 109.22 1vln n GLY 163 Ca 0.23 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.94 6.35 0.35 1.61 0.01 -1.24 -4.85 113.70 112.98 1vln s SER 164 Ca 0.00 0.40 -0.27 0.00 1.31 0.00 0.00 55.95 57.39 1vln s SER 164 Cb 0.00 -2.18 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1vln s SER 164 CO 0.00 0.03 1.15 -2.16 0.41 0.00 0.00 173.24 172.67 1vln s PRO 165 N 0.92 4.31 -0.01 12.44 0.04 -1.26 0.79 135.00 152.24 1vln s PRO 165 Ca 0.15 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 1vln s PRO 165 Cb -0.14 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1vln s PRO 165 CO 0.05 -0.10 0.11 -0.65 0.04 0.00 0.00 177.00 176.45 1vln s GLN 166 N -1.97 3.16 0.75 4.56 1.11 0.29 -4.84 119.66 122.72 1vln s GLN 166 Ca 0.52 -0.44 -0.09 0.00 0.01 0.00 0.00 55.36 55.36 1vln s GLN 166 Cb -0.31 -2.92 0.07 0.00 -1.01 0.00 0.00 33.01 28.84 1vln s GLN 166 CO 0.40 0.65 1.08 0.20 0.01 0.00 0.00 175.29 177.64 1vln s GLY 167 N -1.79 1.65 -1.39 3.09 0.00 -1.26 -4.41 107.32 103.21 1vln s GLY 167 Ca 0.24 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1vln s GLY 167 CO 0.15 -0.38 0.62 1.44 0.00 0.00 0.00 173.10 174.93 1vln n SER 168 N -3.09 -1.29 -4.26 1.64 7.64 -0.69 -4.85 113.62 108.73 1vln n SER 168 Ca 0.08 -0.90 -0.26 0.00 1.01 0.00 0.00 58.87 58.81 1vln n SER 168 Cb 0.61 -3.58 -0.14 0.00 -1.01 0.00 0.00 64.21 60.09 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 -4.21 2.51 -0.01 6.43 0.15 -1.17 -4.95 113.70 112.45 1vln s SER 169 Ca 0.11 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.22 1vln s SER 169 Cb -0.06 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1vln s SER 169 CO 0.85 0.15 -0.02 0.68 1.20 0.00 0.00 173.24 176.10 1vln s VAL 170 N -0.84 0.21 0.03 4.45 -7.23 -1.26 -1.25 120.40 114.51 1vln s VAL 170 Ca 0.07 -0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 1vln s VAL 170 Cb -0.09 -0.22 0.03 0.00 0.56 0.00 0.00 36.38 36.66 1vln s VAL 170 CO 0.02 0.08 0.36 -0.83 -0.31 0.00 0.00 175.10 174.43 1vln s GLY 171 N 0.20 -0.21 0.06 2.32 0.00 -0.91 0.16 107.32 108.95 1vln s GLY 171 Ca -0.02 0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.84 1vln s GLY 171 CO -0.01 -0.00 0.20 0.50 0.00 0.00 0.00 173.10 173.79 1vln s ARG 172 N -2.26 0.77 -0.09 2.90 0.52 -0.70 -1.87 118.95 118.22 1vln s ARG 172 Ca -0.07 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 1vln s ARG 172 Cb -0.02 0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.82 1vln s ARG 172 CO -0.01 -0.23 0.17 0.00 0.02 0.00 0.00 175.30 175.24 1vln s ALA 173 N -3.15 -0.18 -0.04 2.13 0.00 -0.32 -0.49 121.76 119.72 1vln s ALA 173 Ca -0.01 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1vln s ALA 173 Cb 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1vln s ALA 173 CO -0.07 -0.61 -0.23 -0.51 0.00 0.00 0.00 175.76 174.34 1vln s LEU 174 N 2.30 2.23 0.27 0.00 1.02 -0.23 -1.19 118.68 123.08 1vln s LEU 174 Ca 0.03 -0.42 -0.30 0.00 0.02 0.00 0.00 54.13 53.47 1vln s LEU 174 Cb -0.12 -1.40 -0.10 0.00 0.02 0.00 0.00 46.19 44.58 1vln s LEU 174 CO -0.06 0.30 1.43 0.12 0.02 0.00 0.00 176.35 178.16 1vln s PHE 175 N -0.50 2.97 0.19 0.29 5.36 -1.06 -0.39 117.98 124.84 1vln s PHE 175 Ca 0.06 1.08 -0.12 0.00 -0.96 0.00 0.00 56.93 56.99 1vln s PHE 175 Cb -0.11 -3.83 0.22 0.00 -0.34 0.00 0.00 43.02 38.96 1vln s PHE 175 CO 0.01 -2.64 1.71 -0.92 -1.46 0.00 0.00 175.22 171.92 1vln h TYR 176 N 4.60 0.17 -3.74 10.12 3.20 -1.34 -3.43 116.97 126.55 1vln h TYR 176 Ca -0.47 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 60.94 1vln h TYR 176 Cb 1.22 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1vln h TYR 176 CO 0.59 -0.02 0.38 0.00 -1.64 0.00 0.00 178.16 177.47 1vln s ALA 177 N -6.13 3.35 0.51 1.82 0.00 -1.26 -5.04 121.76 115.01 1vln s ALA 177 Ca -0.13 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1vln s ALA 177 Cb 0.16 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1vln s ALA 177 CO 0.73 0.09 1.14 -2.14 0.00 0.00 0.00 175.76 175.59 1vln s PRO 178 N -1.09 3.50 -0.07 0.00 0.02 -1.26 -4.83 135.00 131.27 1vln s PRO 178 Ca 0.43 1.67 0.04 0.00 0.02 0.00 0.00 61.00 63.15 1vln s PRO 178 Cb -0.27 -2.15 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 1vln s PRO 178 CO 0.34 -0.74 -0.18 0.08 -0.33 0.00 0.00 177.00 176.17 1vln s VAL 179 N -1.69 2.69 -0.94 3.83 1.01 0.69 -4.94 120.40 121.05 1vln s VAL 179 Ca 0.69 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1vln s VAL 179 Cb -0.25 -2.05 0.12 0.00 0.00 0.00 0.00 36.38 34.20 1vln s VAL 179 CO 0.29 0.57 1.17 -2.28 0.00 0.00 0.00 175.10 174.86 1vln s HIS 180 N -0.28 3.03 0.25 5.22 2.46 -1.26 -1.47 115.29 123.24 1vln s HIS 180 Ca 0.01 -1.31 0.05 0.00 0.47 0.00 0.00 55.06 54.28 1vln s HIS 180 Cb -0.13 -4.34 0.28 0.00 -0.13 0.00 0.00 32.58 28.26 1vln s HIS 180 CO 0.03 -1.55 1.58 0.97 -2.47 0.00 0.00 174.74 173.29 1vln h ILE 181 N 5.97 1.39 -3.57 0.89 6.09 -1.69 -3.47 117.51 123.12 1vln h ILE 181 Ca 0.16 -1.96 -0.05 0.00 -1.37 0.00 0.00 64.86 61.64 1vln h ILE 181 Cb 1.02 2.00 -0.10 0.00 0.47 0.00 0.00 36.82 40.21 1vln h ILE 181 CO 1.15 0.58 -0.11 -1.66 -3.07 0.00 0.00 178.15 175.04 1vln s TRP 182 N -3.77 0.20 -0.10 2.19 1.48 -1.23 -4.79 118.94 112.92 1vln s TRP 182 Ca -0.04 -0.56 -0.21 0.00 -1.06 0.00 0.00 56.10 54.23 1vln s TRP 182 Cb 0.12 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.69 1vln s TRP 182 CO 0.79 -0.91 0.51 -2.00 -4.06 0.00 0.00 176.95 171.28 1vln s GLU 183 N -3.96 0.77 -1.18 3.25 2.12 -1.26 -4.79 118.70 113.65 1vln s GLU 183 Ca 0.17 0.32 -0.07 0.00 0.36 0.00 0.00 54.97 55.75 1vln s GLU 183 Cb -0.00 0.36 0.24 0.00 0.26 0.00 0.00 34.13 34.99 1vln s GLU 183 CO 0.03 -0.18 1.66 0.43 -0.54 0.00 0.00 175.26 176.66 1vln n SER 184 N 1.78 5.73 0.00 -1.70 7.64 -1.26 -3.36 113.62 122.46 1vln n SER 184 Ca -0.18 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1vln n SER 184 Cb 0.56 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 2.70 0.00 -4.63 6.43 3.41 -1.26 -5.13 113.62 115.14 1vln n SER 185 Ca 0.33 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.59 1vln n SER 185 Cb 0.35 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 1vln n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vln s ALA 186 N 0.00 3.33 -0.06 7.33 0.00 -1.21 -2.08 121.76 129.07 1vln s ALA 186 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1vln s ALA 186 Cb 0.00 -1.77 -0.22 0.00 0.00 0.00 0.00 23.12 21.13 1vln s ALA 186 CO 0.00 0.28 1.11 0.28 0.00 0.00 0.00 175.76 177.43 1vln h VAL 187 N 4.76 1.49 -3.83 0.00 2.07 0.02 -3.46 116.25 117.31 1vln h VAL 187 Ca -0.39 -1.50 -0.26 0.00 0.82 0.00 0.00 66.70 65.37 1vln h VAL 187 Cb 1.18 2.51 -0.27 0.00 -1.52 0.00 0.00 31.29 33.19 1vln h VAL 187 CO 0.66 0.39 -0.73 -0.69 0.02 0.00 0.00 177.57 177.21 1vln s VAL 188 N -3.62 0.19 -0.01 2.57 1.01 -1.22 -4.88 120.40 114.44 1vln s VAL 188 Ca -0.17 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1vln s VAL 188 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1vln s VAL 188 CO 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 175.10 175.73 1vln s ALA 189 N -0.23 0.30 0.20 5.51 0.00 -1.26 -0.32 121.76 125.95 1vln s ALA 189 Ca -0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 1vln s ALA 189 Cb -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1vln s ALA 189 CO -0.00 0.03 0.63 -1.54 0.00 0.00 0.00 175.76 174.88 1vln s SER 190 N 0.26 -0.47 -0.00 0.00 1.04 -0.36 -1.11 113.70 113.06 1vln s SER 190 Ca -0.02 -0.19 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1vln s SER 190 Cb -0.05 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1vln s SER 190 CO -0.01 -1.08 0.39 0.72 0.98 0.00 0.00 173.24 174.24 1vln s PHE 191 N -3.80 -0.27 -0.02 5.02 -0.12 -0.78 -1.01 117.98 117.00 1vln s PHE 191 Ca 0.04 0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 57.29 1vln s PHE 191 Cb -0.02 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1vln s PHE 191 CO -0.07 -0.47 0.05 -1.83 -0.05 0.00 0.00 175.22 172.84 1vln s GLU 192 N -1.65 0.02 -0.02 1.99 -1.05 -0.55 -1.51 118.70 115.94 1vln s GLU 192 Ca -0.11 0.13 0.03 0.00 -0.15 0.00 0.00 54.97 54.88 1vln s GLU 192 Cb -0.03 -0.09 -0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1vln s GLU 192 CO 0.03 -0.08 -0.10 0.00 0.95 0.00 0.00 175.26 176.06 1vln s ALA 193 N 0.49 0.90 -0.00 -0.84 0.00 0.41 -2.07 121.76 120.64 1vln s ALA 193 Ca -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1vln s ALA 193 Cb -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1vln s ALA 193 CO -0.02 0.19 -0.04 0.99 0.00 0.00 0.00 175.76 176.88 1vln s THR 194 N -0.07 0.30 -0.01 0.00 2.01 -0.90 -0.29 115.64 116.69 1vln s THR 194 Ca 0.01 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 1vln s THR 194 Cb -0.06 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.21 1vln s THR 194 CO 0.00 0.05 0.38 0.72 -0.69 0.00 0.00 174.62 175.08 1vln s PHE 195 N -0.18 -0.26 0.02 4.92 -0.71 -0.85 -0.84 117.98 120.08 1vln s PHE 195 Ca 0.00 0.37 0.05 0.00 -1.04 0.00 0.00 56.93 56.32 1vln s PHE 195 Cb -0.02 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1vln s PHE 195 CO -0.00 -0.45 -0.10 0.95 -1.34 0.00 0.00 175.22 174.27 1vln s THR 196 N -1.53 3.36 0.08 -4.49 -4.23 -0.92 -0.98 115.64 106.93 1vln s THR 196 Ca -0.12 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1vln s THR 196 Cb -0.04 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1vln s THR 196 CO 0.04 0.36 0.03 0.72 -0.54 0.00 0.00 174.62 175.23 1vln s PHE 197 N -0.99 0.58 -0.26 3.99 -0.71 -0.62 -1.77 117.98 118.19 1vln s PHE 197 Ca 0.17 -1.05 -0.02 0.00 -1.04 0.00 0.00 56.93 54.98 1vln s PHE 197 Cb -0.11 -0.36 0.08 0.00 -1.21 0.00 0.00 43.02 41.42 1vln s PHE 197 CO 0.07 -0.46 0.08 -1.17 -1.34 0.00 0.00 175.22 172.40 1vln s LEU 198 N -2.95 1.55 -0.33 -1.99 2.96 -0.02 -1.06 118.68 116.83 1vln s LEU 198 Ca 0.12 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.66 1vln s LEU 198 Cb 0.07 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 1vln s LEU 198 CO -0.06 -0.37 0.21 -0.63 -1.32 0.00 0.00 176.35 174.18 1vln s ILE 199 N 1.79 5.05 -0.06 6.68 1.01 -1.26 -2.79 121.20 131.62 1vln s ILE 199 Ca 0.05 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1vln s ILE 199 Cb -0.17 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1vln s ILE 199 CO -0.20 0.01 -0.20 -0.54 0.00 0.00 0.00 174.94 174.02 1vln s LYS 200 N 1.68 2.15 -0.27 2.79 1.02 -1.23 -1.36 119.74 124.53 1vln s LYS 200 Ca 0.06 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1vln s LYS 200 Cb -0.17 -1.80 0.08 0.00 -0.52 0.00 0.00 37.83 35.42 1vln s LYS 200 CO 0.09 0.24 0.04 0.45 -0.92 0.00 0.00 175.35 175.25 1vln s SER 201 N 0.11 3.77 0.32 2.83 0.15 -1.26 -0.99 113.70 118.63 1vln s SER 201 Ca -0.07 -1.37 0.09 0.00 0.70 0.00 0.00 55.95 55.31 1vln s SER 201 Cb -0.14 -0.94 0.96 0.00 -1.71 0.00 0.00 66.02 64.19 1vln s SER 201 CO 0.04 -0.34 1.62 -0.65 1.20 0.00 0.00 173.24 175.11 1vln h PRO 202 N 8.05 0.15 -0.55 5.44 0.11 -1.97 0.34 132.00 143.58 1vln h PRO 202 Ca -0.14 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 1vln h PRO 202 Cb 1.05 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.06 1vln h PRO 202 CO 0.43 0.10 0.12 -0.40 -0.21 0.00 0.00 178.00 178.04 1vln n ASP 203 N -5.24 4.44 -3.94 -2.05 5.68 -1.26 -4.97 116.55 109.22 1vln n ASP 203 Ca 0.28 -3.20 -0.27 0.00 -0.50 0.00 0.00 54.79 51.11 1vln n ASP 203 Cb 0.91 -0.67 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1vln n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1vln n SER 204 N -0.26 -1.34 -3.06 -1.12 7.64 0.11 -4.94 113.62 110.64 1vln n SER 204 Ca 0.33 -0.95 -0.17 0.00 1.01 0.00 0.00 58.87 59.10 1vln n SER 204 Cb 1.19 -3.29 -0.04 0.00 -1.01 0.00 0.00 64.21 61.06 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 -4.40 -2.03 -1.85 1.43 -0.00 -1.26 -5.10 115.22 102.00 1vln n HIS 205 Ca -0.22 -2.56 -0.32 0.00 -0.00 0.00 0.00 57.72 54.62 1vln n HIS 205 Cb 0.64 0.69 0.03 0.00 -0.00 0.00 0.00 29.99 31.35 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 0.11 3.13 -0.29 1.57 0.04 -1.26 -4.21 135.00 134.10 1vln s PRO 206 Ca 0.32 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1vln s PRO 206 Cb 0.09 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.80 1vln s PRO 206 CO -0.15 -0.96 1.38 0.00 0.04 0.00 0.00 177.00 177.31 1vln s ALA 207 N -2.65 -2.18 -0.01 8.56 0.00 -1.25 -4.34 121.76 119.89 1vln s ALA 207 Ca 0.62 1.72 0.01 0.00 0.00 0.00 0.00 51.96 54.31 1vln s ALA 207 Cb -0.16 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1vln s ALA 207 CO 0.43 -0.13 0.02 -0.25 0.00 0.00 0.00 175.76 175.84 1vln n ASP 208 N 1.56 4.66 0.00 0.00 8.00 0.00 -3.04 116.55 127.73 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 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 42.53 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 2.61 3.51 3.57 0.44 0.00 -1.23 -2.16 105.19 111.94 1vln n GLY 209 Ca -0.01 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.00 3.21 -0.17 -0.61 1.01 -0.80 -2.78 121.20 119.05 1vln s ILE 210 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.90 1vln s ILE 210 Cb 0.00 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.94 1vln s ILE 210 CO 0.00 -0.10 0.43 0.00 0.00 0.00 0.00 174.94 175.27 1vln s ALA 211 N -1.68 -1.10 -0.16 9.38 0.00 0.14 -0.40 121.76 127.94 1vln s ALA 211 Ca 0.25 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 1vln s ALA 211 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1vln s ALA 211 CO 0.15 -0.25 0.42 0.12 0.00 0.00 0.00 175.76 176.20 1vln s PHE 212 N 1.07 3.45 0.17 0.00 5.36 -1.00 -0.26 117.98 126.77 1vln s PHE 212 Ca -0.07 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 1vln s PHE 212 Cb -0.07 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.06 1vln s PHE 212 CO -0.09 0.11 0.03 -0.59 -1.46 0.00 0.00 175.22 173.22 1vln s PHE 213 N 0.86 1.18 -0.05 10.12 -0.71 -0.46 -1.79 117.98 127.12 1vln s PHE 213 Ca 0.22 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 55.03 1vln s PHE 213 Cb -0.15 -0.67 0.02 0.00 -1.21 0.00 0.00 43.02 41.01 1vln s PHE 213 CO 0.08 -0.29 -0.07 0.42 -1.34 0.00 0.00 175.22 174.02 1vln s ILE 214 N -3.75 0.73 0.19 -4.49 1.01 -0.61 -0.92 121.20 113.36 1vln s ILE 214 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.68 1vln s ILE 214 Cb 0.07 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 1vln s ILE 214 CO 0.05 0.27 0.24 -1.54 0.00 0.00 0.00 174.94 173.96 1vln n SER 215 N 4.01 -0.66 -4.77 3.58 3.41 -0.41 -2.56 113.62 116.22 1vln n SER 215 Ca -0.24 -2.12 -0.37 0.00 -0.26 0.00 0.00 58.87 55.88 1vln n SER 215 Cb 0.51 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 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 -2.25 5.94 0.45 4.04 4.22 -1.23 -1.61 114.94 124.49 1vln s ASN 216 Ca 0.18 2.43 0.28 0.00 -2.14 0.00 0.00 52.86 53.61 1vln s ASN 216 Cb -0.00 -2.61 1.34 0.00 1.28 0.00 0.00 41.25 41.26 1vln s ASN 216 CO 0.13 -1.08 1.72 0.40 -2.04 0.00 0.00 177.10 176.22 1vln h ILE 217 N 1.78 0.34 -0.87 0.54 2.04 -1.85 -2.08 117.51 117.41 1vln h ILE 217 Ca -0.50 -0.06 -0.50 0.00 1.00 0.00 0.00 64.86 64.80 1vln h ILE 217 Cb 1.26 0.13 -0.27 0.00 -0.74 0.00 0.00 36.82 37.20 1vln h ILE 217 CO 0.59 0.03 0.49 -0.90 0.00 0.00 0.00 178.15 178.37 1vln n ASP 218 N -4.51 4.64 -4.77 1.72 5.75 -1.26 -4.83 116.55 113.28 1vln n ASP 218 Ca 0.30 -3.70 -0.39 0.00 -0.01 0.00 0.00 54.79 50.99 1vln n ASP 218 Cb 1.20 -0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1vln n ASP 218 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1vln s SER 219 N -1.81 6.39 0.20 -1.12 0.01 -0.78 -5.05 113.70 111.54 1vln s SER 219 Ca 0.57 2.61 0.04 0.00 1.31 0.00 0.00 55.95 60.47 1vln s SER 219 Cb 0.47 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 1vln s SER 219 CO 0.05 -0.79 -0.04 -0.44 0.41 0.00 0.00 173.24 172.43 1vln s SER 220 N -0.77 1.83 0.07 2.44 0.01 -1.26 -5.10 113.70 110.92 1vln s SER 220 Ca 0.56 -1.15 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 1vln s SER 220 Cb -0.37 0.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 1vln s SER 220 CO 0.48 -0.45 1.43 -0.63 0.41 0.00 0.00 173.24 174.48 1vln s ILE 221 N -3.38 3.40 0.55 1.44 1.01 -1.26 -4.99 121.20 117.97 1vln s ILE 221 Ca 0.24 0.93 -0.20 0.00 0.00 0.00 0.00 60.65 61.63 1vln s ILE 221 Cb 0.04 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1vln s ILE 221 CO 0.06 0.04 1.18 -2.84 0.00 0.00 0.00 174.94 173.38 1vln s PRO 222 N 1.75 3.23 0.25 2.79 0.02 -1.26 -4.95 135.00 136.83 1vln s PRO 222 Ca 0.66 1.77 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 1vln s PRO 222 Cb -0.35 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.00 1vln s PRO 222 CO 0.29 -0.98 1.54 0.45 -0.33 0.00 0.00 177.00 177.96 1vln n SER 223 N -1.29 3.37 -0.94 2.53 2.88 -1.26 -2.44 113.62 116.47 1vln n SER 223 Ca 0.12 1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 58.66 1vln n SER 223 Cb 0.50 -1.51 -0.05 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 2.48 1.21 1.36 0.46 0.00 -1.26 -4.85 105.19 104.59 1vln n GLY 224 Ca 0.11 -0.07 -0.03 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 -0.99 4.35 -4.14 1.61 3.41 -1.02 -4.84 113.62 111.99 1vln n SER 225 Ca -0.12 -2.36 -0.27 0.00 -0.26 0.00 0.00 58.87 55.86 1vln n SER 225 Cb 0.56 -0.83 0.17 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.79 0.00 0.00 6.66 -2.24 -1.26 -0.68 114.28 117.54 1vln n THR 226 Ca 0.07 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1vln n THR 226 Cb 0.57 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -3.21 3.32 0.06 3.38 0.00 -0.13 -3.42 105.19 105.19 1vln n GLY 227 Ca 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 13.73 0.09 -0.06 1.61 1.85 -1.26 -3.01 116.66 129.61 1vln n ARG 228 Ca 0.00 0.33 0.12 0.00 -1.00 0.00 0.00 57.85 57.30 1vln n ARG 228 Cb 0.00 -1.68 0.35 0.00 -1.05 0.00 0.00 32.46 30.08 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 2.13 -2.20 2.89 4.77 -1.22 -4.97 117.00 116.55 1vln n LEU 229 Ca 0.03 -0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 55.11 1vln n LEU 229 Cb 0.20 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1vln n LEU 229 CO 0.17 0.41 -0.10 0.18 -1.33 0.00 0.00 177.39 176.72 1vln n LEU 230 N 0.64 -0.73 0.00 2.23 4.77 -1.16 -1.42 117.00 121.33 1vln n LEU 230 Ca 0.17 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1vln n LEU 230 Cb 0.43 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1vln n LEU 230 CO 0.15 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1vln n GLY 231 N -0.58 0.44 0.04 -0.72 0.00 0.14 -4.19 105.19 100.31 1vln n GLY 231 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.53 -4.42 0.99 4.77 -0.51 -4.36 117.00 114.00 1vln n LEU 232 Ca 0.00 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1vln n LEU 232 Cb 0.11 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1vln n LEU 232 CO 0.00 0.26 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.42 1vln s PHE 233 N -2.17 2.35 0.14 -1.77 0.08 -1.08 -4.81 117.98 110.73 1vln s PHE 233 Ca -0.05 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.70 1vln s PHE 233 Cb 0.02 -1.21 -0.10 0.00 -0.57 0.00 0.00 43.02 41.16 1vln s PHE 233 CO 0.27 0.42 1.33 -1.35 -0.10 0.00 0.00 175.22 175.79 1vln h PRO 234 N 3.52 0.09 0.00 0.24 0.11 -1.91 -3.42 132.00 130.63 1vln h PRO 234 Ca -0.49 -0.12 -0.35 0.00 0.11 0.00 0.00 66.00 65.15 1vln h PRO 234 Cb 1.19 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1vln h PRO 234 CO 0.44 0.97 -0.25 -0.40 -0.21 0.00 0.00 178.00 178.56 1vln n ASP 235 N -3.52 -1.20 -1.65 -2.05 5.68 -1.26 -4.92 116.55 107.64 1vln n ASP 235 Ca -0.02 -3.03 0.07 0.00 -0.50 0.00 0.00 54.79 51.31 1vln n ASP 235 Cb 0.88 2.34 0.37 0.00 -1.14 0.00 0.00 41.12 43.57 1vln n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vln n ALA 236 N -0.65 3.67 1.28 2.12 0.00 -1.26 -4.73 120.51 120.94 1vln n ALA 236 Ca -0.13 -2.03 0.10 0.00 0.00 0.00 0.00 53.44 51.38 1vln n ALA 236 Cb 0.61 -1.02 0.61 0.00 0.00 0.00 0.00 19.45 19.64 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59