#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vcy h VAL 6 N 0.00 0.00 -3.54 2.41 -1.51 -1.95 -2.17 116.25 109.49 1vcy h VAL 6 Ca 0.00 -0.99 -0.44 0.00 -1.23 0.00 0.00 66.70 64.04 1vcy h VAL 6 Cb 0.00 1.81 -0.33 0.00 -2.13 0.00 0.00 31.29 30.64 1vcy h VAL 6 CO 0.00 0.00 -0.79 -0.36 -1.23 0.00 0.00 177.57 175.19 1vcy s PHE 7 N -3.26 0.99 -0.27 5.19 0.08 -1.26 -3.93 117.98 115.52 1vcy s PHE 7 Ca 0.04 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1vcy s PHE 7 Cb 0.07 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1vcy s PHE 7 CO 0.71 -0.19 1.35 -1.14 -0.10 0.00 0.00 175.22 175.85 1vcy s GLN 8 N 0.64 3.95 0.61 0.44 0.74 0.74 -4.77 119.66 122.01 1vcy s GLN 8 Ca -0.10 1.38 -0.16 0.00 0.05 0.00 0.00 55.36 56.52 1vcy s GLN 8 Cb -0.13 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 1vcy s GLN 8 CO 0.01 -1.08 1.08 -2.14 -0.55 0.00 0.00 175.29 172.61 1vcy s PRO 9 N 4.14 3.18 -0.31 1.67 0.02 -1.26 -0.56 135.00 141.88 1vcy s PRO 9 Ca 0.58 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1vcy s PRO 9 Cb -0.19 -2.01 0.19 0.00 0.02 0.00 0.00 34.50 32.52 1vcy s PRO 9 CO 0.23 -0.93 0.75 0.08 -0.33 0.00 0.00 177.00 176.79 1vcy s VAL 10 N -2.35 -0.74 0.00 3.83 1.01 -0.79 -4.85 120.40 116.50 1vcy s VAL 10 Ca 0.65 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1vcy s VAL 10 Cb -0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1vcy s VAL 10 CO 0.37 0.00 -0.06 1.51 0.00 0.00 0.00 175.10 176.92 1vcy s ASP 11 N 2.73 0.74 -0.51 3.32 3.84 -1.26 -1.87 116.67 123.65 1vcy s ASP 11 Ca 0.16 -0.15 0.03 0.00 -0.00 0.00 0.00 52.55 52.59 1vcy s ASP 11 Cb -0.06 -0.07 0.42 0.00 -1.38 0.00 0.00 42.92 41.83 1vcy s ASP 11 CO -0.23 0.05 1.44 0.00 -0.00 0.00 0.00 175.17 176.44 1vcy n GLN 12 N 2.78 3.24 -3.55 2.11 6.02 -0.80 -4.99 117.38 122.19 1vcy n GLN 12 Ca -0.14 -4.05 -0.33 0.00 -0.01 0.00 0.00 57.00 52.47 1vcy n GLN 12 Cb 0.58 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 1vcy n GLN 12 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vcy s LEU 13 N -3.70 4.27 1.20 1.08 1.43 -1.26 -4.40 118.68 117.30 1vcy s LEU 13 Ca 0.52 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.26 1vcy s LEU 13 Cb 0.43 -3.30 0.30 0.00 0.03 0.00 0.00 46.19 43.65 1vcy s LEU 13 CO -0.15 0.06 1.01 -2.84 0.23 0.00 0.00 176.35 174.67 1vcy s PRO 14 N -2.40 -1.24 0.18 1.29 0.02 -1.26 -4.84 135.00 126.74 1vcy s PRO 14 Ca 0.40 0.76 -0.11 0.00 0.02 0.00 0.00 61.00 62.07 1vcy s PRO 14 Cb -0.13 -1.52 0.08 0.00 0.02 0.00 0.00 34.50 32.95 1vcy s PRO 14 CO 0.21 -3.92 1.70 0.93 -0.33 0.00 0.00 177.00 175.60 1vcy h GLU 15 N -2.76 0.98 0.00 5.54 4.39 -2.03 -3.04 114.58 117.66 1vcy h GLU 15 Ca -0.62 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 58.86 1vcy h GLU 15 Cb 1.34 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1vcy h GLU 15 CO 0.50 0.87 0.00 -0.40 -1.16 0.00 0.00 179.01 178.81 1vcy n ASP 16 N -4.36 0.00 -0.00 1.42 3.85 -1.26 -2.77 116.55 113.42 1vcy n ASP 16 Ca 0.04 -0.67 0.01 0.00 -0.71 0.00 0.00 54.79 53.45 1vcy n ASP 16 Cb 0.22 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.98 1vcy n ASP 16 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1vcy n LEU 17 N -0.74 0.02 -0.18 -2.12 4.77 -1.15 -4.70 117.00 112.91 1vcy n LEU 17 Ca 0.05 -0.25 0.03 0.00 -0.03 0.00 0.00 56.01 55.80 1vcy n LEU 17 Cb 0.02 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.41 1vcy n LEU 17 CO 0.04 0.01 1.23 0.40 -1.33 0.00 0.00 177.39 177.73 1vcy h ILE 18 N 0.00 1.14 0.03 -0.08 2.04 -1.58 -2.05 117.51 117.01 1vcy h ILE 18 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1vcy h ILE 18 Cb 0.04 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1vcy h ILE 18 CO 0.00 0.16 -0.04 -0.65 0.00 0.00 0.00 178.15 177.62 1vcy h PRO 19 N 0.90 -0.08 -0.58 2.37 0.11 -1.84 0.98 132.00 133.86 1vcy h PRO 19 Ca 0.27 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.40 1vcy h PRO 19 Cb -0.01 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1vcy h PRO 19 CO -0.07 -0.06 0.38 0.77 -0.21 0.00 0.00 178.00 178.82 1vcy h SER 20 N -0.09 0.65 -0.27 -2.05 0.02 -1.77 -1.03 113.55 109.01 1vcy h SER 20 Ca 0.01 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1vcy h SER 20 Cb 0.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1vcy h SER 20 CO -0.02 0.46 -0.25 0.77 -1.14 0.00 0.00 176.83 176.65 1vcy h SER 21 N 0.76 0.77 -0.79 3.07 4.64 -0.78 -1.92 113.55 119.30 1vcy h SER 21 Ca 0.21 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1vcy h SER 21 Cb -0.06 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.78 1vcy h SER 21 CO -0.05 0.99 0.34 0.40 -0.87 0.00 0.00 176.83 177.64 1vcy h ILE 22 N 0.65 1.26 -0.18 0.95 1.08 0.39 -1.24 117.51 120.43 1vcy h ILE 22 Ca 0.09 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1vcy h ILE 22 Cb 0.77 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1vcy h ILE 22 CO 0.06 0.33 0.12 1.56 -0.69 0.00 0.00 178.15 179.53 1vcy h GLN 23 N 1.15 0.18 -0.13 2.37 1.08 -0.71 0.90 115.11 119.94 1vcy h GLN 23 Ca 0.27 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.27 1vcy h GLN 23 Cb 0.19 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1vcy h GLN 23 CO -0.03 0.12 -0.70 0.28 -0.95 0.00 0.00 178.83 177.56 1vcy h VAL 24 N 0.18 1.33 -0.01 -0.54 2.07 -0.50 -1.64 116.25 117.16 1vcy h VAL 24 Ca 0.07 -2.01 -0.08 0.00 0.82 0.00 0.00 66.70 65.51 1vcy h VAL 24 Cb 0.06 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1vcy h VAL 24 CO -0.01 0.62 -0.36 0.25 0.02 0.00 0.00 177.57 178.09 1vcy h LEU 25 N 0.39 0.02 -0.14 2.57 5.85 -0.23 -0.17 115.31 123.61 1vcy h LEU 25 Ca -0.03 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1vcy h LEU 25 Cb 1.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1vcy h LEU 25 CO 0.13 0.37 -0.30 0.50 -0.34 0.00 0.00 178.44 178.81 1vcy h LYS 26 N 0.02 0.44 0.71 1.25 3.64 -0.71 -1.43 116.57 120.49 1vcy h LYS 26 Ca -0.00 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1vcy h LYS 26 Cb 0.64 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1vcy h LYS 26 CO 0.05 0.90 -0.40 0.35 -2.27 0.00 0.00 179.45 178.07 1vcy h PHE 27 N 0.05 -1.07 -0.58 1.91 3.57 -1.00 -2.77 116.94 117.06 1vcy h PHE 27 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1vcy h PHE 27 Cb 0.89 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.91 1vcy h PHE 27 CO 0.10 -0.62 -0.02 0.77 -2.23 0.00 0.00 178.31 176.32 1vcy h SER 28 N -1.03 -0.29 -1.00 0.41 0.02 -1.13 -1.17 113.55 109.36 1vcy h SER 28 Ca -0.10 0.15 0.24 0.00 -0.84 0.00 0.00 61.79 61.24 1vcy h SER 28 Cb 0.81 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.53 1vcy h SER 28 CO 0.12 -0.11 0.65 1.23 -1.14 0.00 0.00 176.83 177.57 1vcy h GLY 29 N 0.10 1.15 2.00 -3.77 0.00 -1.11 0.06 103.07 101.51 1vcy h GLY 29 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1vcy h GLY 29 CO -0.51 -0.09 0.00 0.50 0.00 0.00 0.00 176.54 176.44 1vcy h LYS 30 N 0.43 0.00 -0.66 4.80 1.57 -0.92 -1.99 116.57 119.79 1vcy h LYS 30 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1vcy h LYS 30 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1vcy h LYS 30 CO -0.27 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.27 1vcy n TYR 31 N -2.76 1.35 -2.59 -1.35 4.01 0.01 -4.89 117.16 110.95 1vcy n TYR 31 Ca -0.02 -0.55 -0.40 0.00 -0.16 0.00 0.00 57.90 56.76 1vcy n TYR 31 Cb 0.07 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 1vcy n TYR 31 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1vcy s LEU 32 N -1.65 4.59 -0.26 7.72 2.96 -0.75 -0.23 118.68 131.06 1vcy s LEU 32 Ca 0.48 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.55 1vcy s LEU 32 Cb 0.30 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 43.42 1vcy s LEU 32 CO 0.25 -0.02 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.42 1vcy s LYS 33 N -1.33 2.40 -0.23 1.98 2.20 0.13 -4.82 119.74 120.06 1vcy s LYS 33 Ca 0.43 -1.25 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1vcy s LYS 33 Cb -0.29 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1vcy s LYS 33 CO 0.37 -0.53 0.33 -1.17 -0.36 0.00 0.00 175.35 173.99 1vcy s LEU 34 N 1.17 4.11 -0.21 5.43 2.96 -1.26 -2.02 118.68 128.86 1vcy s LEU 34 Ca -0.06 0.35 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 1vcy s LEU 34 Cb -0.19 -2.39 0.10 0.00 0.50 0.00 0.00 46.19 44.22 1vcy s LEU 34 CO -0.05 -0.07 0.89 -0.70 -1.32 0.00 0.00 176.35 175.10 1vcy s GLU 35 N 1.46 0.70 -1.64 1.98 2.12 -0.36 -4.93 118.70 118.02 1vcy s GLU 35 Ca 0.15 0.51 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 1vcy s GLU 35 Cb -0.15 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1vcy s GLU 35 CO 0.08 -0.15 0.24 1.04 -0.54 0.00 0.00 175.26 175.93 1vcy n GLN 36 N 1.72 -2.99 -0.74 4.30 6.02 -1.26 -1.52 117.38 122.91 1vcy n GLN 36 Ca -0.13 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 1vcy n GLN 36 Cb 0.56 -5.67 0.00 0.00 1.02 0.00 0.00 30.24 26.15 1vcy n GLN 36 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1vcy n ASN 37 N -2.20 0.00 -4.67 1.08 5.03 -1.26 -4.98 115.26 108.26 1vcy n ASN 37 Ca -0.18 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 54.99 1vcy n ASN 37 Cb 0.65 -1.22 -0.08 0.00 -1.02 0.00 0.00 39.78 38.12 1vcy n ASN 37 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1vcy s LYS 38 N -0.48 2.45 -0.11 3.52 1.02 -0.58 -5.12 119.74 120.43 1vcy s LYS 38 Ca 0.00 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 54.97 1vcy s LYS 38 Cb 0.00 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1vcy s LYS 38 CO 0.00 0.47 -0.18 0.00 -0.92 0.00 0.00 175.35 174.73 1vcy s ALA 39 N -1.64 1.87 0.04 5.17 0.00 -1.26 -1.22 121.76 124.71 1vcy s ALA 39 Ca 0.27 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1vcy s ALA 39 Cb -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1vcy s ALA 39 CO 0.19 -0.02 -0.07 0.71 0.00 0.00 0.00 175.76 176.57 1vcy s TYR 40 N 0.86 0.58 0.15 0.00 2.02 -0.86 -4.71 117.35 115.39 1vcy s TYR 40 Ca -0.08 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 1vcy s TYR 40 Cb -0.15 -0.36 -0.08 0.00 -0.40 0.00 0.00 41.96 40.97 1vcy s TYR 40 CO -0.00 -0.12 1.26 0.12 -1.57 0.00 0.00 175.55 175.24 1vcy s PHE 41 N -1.52 3.35 -1.17 2.71 5.99 -1.26 0.17 117.98 126.25 1vcy s PHE 41 Ca -0.10 1.26 -0.14 0.00 0.00 0.00 0.00 56.93 57.94 1vcy s PHE 41 Cb -0.09 -3.52 0.17 0.00 0.00 0.00 0.00 43.02 39.58 1vcy s PHE 41 CO -0.00 -1.61 1.38 0.34 -0.00 0.00 0.00 175.22 175.33 1vcy s ASP 42 N 0.57 7.03 0.13 6.13 -1.08 0.68 -4.84 116.67 125.29 1vcy s ASP 42 Ca 0.57 -2.91 -0.25 0.00 -0.52 0.00 0.00 52.55 49.44 1vcy s ASP 42 Cb -0.34 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 1vcy s ASP 42 CO 0.34 -0.77 1.63 -0.50 0.52 0.00 0.00 175.17 176.40 1vcy h TRP 43 N 7.33 -0.69 -0.37 -5.34 4.06 -1.92 -1.42 115.95 117.60 1vcy h TRP 43 Ca 0.29 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.35 1vcy h TRP 43 Cb 0.89 0.32 -0.07 0.00 -1.00 0.00 0.00 29.16 29.29 1vcy h TRP 43 CO 1.10 -0.34 -0.12 -1.35 -3.56 0.00 0.00 178.44 174.17 1vcy h PRO 44 N -0.36 -0.03 -0.22 0.49 0.11 -1.98 0.20 132.00 130.21 1vcy h PRO 44 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1vcy h PRO 44 Cb 0.48 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1vcy h PRO 44 CO -0.27 -0.02 0.14 0.93 -0.21 0.00 0.00 178.00 178.57 1vcy h GLU 45 N -0.04 0.29 -0.44 1.05 4.39 -1.93 -1.69 114.58 116.21 1vcy h GLU 45 Ca 0.18 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1vcy h GLU 45 Cb 0.31 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1vcy h GLU 45 CO -0.40 0.21 0.22 0.35 -1.16 0.00 0.00 179.01 178.23 1vcy h PHE 46 N 0.28 0.40 -0.96 4.33 3.57 -0.46 0.16 116.94 124.27 1vcy h PHE 46 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1vcy h PHE 46 Cb -0.01 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 1vcy h PHE 46 CO -0.06 0.21 0.63 0.87 -2.23 0.00 0.00 178.31 177.73 1vcy h LYS 47 N 0.44 1.17 -0.24 1.11 1.57 -0.42 0.55 116.57 120.75 1vcy h LYS 47 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1vcy h LYS 47 Cb 0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1vcy h LYS 47 CO -0.13 0.78 0.11 1.15 -0.57 0.00 0.00 179.45 180.78 1vcy h THR 48 N 1.21 1.15 -0.93 -0.16 2.02 -0.31 0.13 112.91 116.02 1vcy h THR 48 Ca 0.39 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1vcy h THR 48 Cb 0.02 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 1vcy h THR 48 CO -0.13 0.15 0.58 0.00 0.37 0.00 0.00 175.52 176.50 1vcy h ALA 49 N 0.96 1.32 -0.16 6.16 0.00 0.03 0.22 119.26 127.79 1vcy h ALA 49 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1vcy h ALA 49 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vcy h ALA 49 CO -0.01 0.29 0.02 0.82 0.00 0.00 0.00 179.25 180.37 1vcy h ILE 50 N 1.01 1.23 -0.49 0.00 1.08 -0.33 -1.82 117.51 118.20 1vcy h ILE 50 Ca 0.42 -0.75 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1vcy h ILE 50 Cb 0.27 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1vcy h ILE 50 CO -0.20 0.22 0.19 0.44 -0.69 0.00 0.00 178.15 178.11 1vcy h ASP 51 N 0.03 0.68 0.00 1.72 3.45 -0.07 -2.59 116.42 119.64 1vcy h ASP 51 Ca 0.05 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.34 1vcy h ASP 51 Cb 0.32 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1vcy h ASP 51 CO 0.00 0.66 0.00 0.59 -1.57 0.00 0.00 179.24 178.93 1vcy n ASN 52 N -4.56 0.00 -4.78 6.45 4.13 0.70 -4.85 115.26 112.35 1vcy n ASN 52 Ca 0.02 -0.99 -0.37 0.00 1.68 0.00 0.00 54.58 54.91 1vcy n ASN 52 Cb 0.16 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 1vcy n ASN 52 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1vcy s TYR 53 N -2.00 3.43 -0.28 3.10 5.04 -0.69 -5.03 117.35 120.91 1vcy s TYR 53 Ca 0.39 1.69 -0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1vcy s TYR 53 Cb 0.18 -3.10 0.12 0.00 0.35 0.00 0.00 41.96 39.51 1vcy s TYR 53 CO 0.30 -0.40 0.25 0.95 -1.34 0.00 0.00 175.55 175.31 1vcy s THR 54 N -1.57 -0.33 0.00 4.34 -4.23 -1.26 -5.04 115.64 107.55 1vcy s THR 54 Ca 0.54 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1vcy s THR 54 Cb -0.23 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1vcy s THR 54 CO 0.29 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1vcy n GLY 55 N 5.30 3.36 0.00 3.99 0.00 -1.26 -5.06 105.19 111.52 1vcy n GLY 55 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1vcy n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vcy n GLU 56 N 0.00 0.95 0.14 1.61 1.02 -1.26 -4.80 120.64 118.30 1vcy n GLU 56 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1vcy n GLU 56 Cb 0.00 -0.07 0.05 0.00 -0.02 0.00 0.00 31.44 31.40 1vcy n GLU 56 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1vcy h ASP 57 N 0.00 0.00 -4.29 1.62 5.19 -1.93 -3.43 116.42 113.58 1vcy h ASP 57 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 1vcy h ASP 57 Cb 0.00 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.25 1vcy h ASP 57 CO 0.00 0.12 -0.81 -0.22 -3.12 0.00 0.00 179.24 175.21 1vcy s LEU 58 N -5.83 2.13 -0.13 1.55 2.96 -1.26 -0.27 118.68 117.82 1vcy s LEU 58 Ca 0.02 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 1vcy s LEU 58 Cb 0.08 -0.75 0.03 0.00 0.50 0.00 0.00 46.19 46.05 1vcy s LEU 58 CO 0.75 0.11 0.34 -0.55 -1.32 0.00 0.00 176.35 175.67 1vcy s SER 59 N -0.92 -0.35 0.11 3.68 0.15 -0.70 -4.74 113.70 110.92 1vcy s SER 59 Ca 0.04 0.68 -0.28 0.00 0.70 0.00 0.00 55.95 57.09 1vcy s SER 59 Cb -0.07 0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1vcy s SER 59 CO 0.01 -0.12 0.90 0.12 1.20 0.00 0.00 173.24 175.35 1vcy s PHE 60 N 0.20 3.82 -0.09 3.44 5.36 -1.26 -0.23 117.98 129.21 1vcy s PHE 60 Ca -0.00 1.72 -0.07 0.00 -0.96 0.00 0.00 56.93 57.61 1vcy s PHE 60 Cb -0.02 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 1vcy s PHE 60 CO 0.00 0.27 -0.17 -3.47 -1.46 0.00 0.00 175.22 170.39 1vcy n ASP 61 N 2.59 1.17 -3.61 6.13 -0.08 -0.10 -4.85 116.55 117.80 1vcy n ASP 61 Ca 0.00 0.19 -0.05 0.00 -1.51 0.00 0.00 54.79 53.42 1vcy n ASP 61 Cb 0.49 -0.45 -0.04 0.00 2.34 0.00 0.00 41.12 43.47 1vcy n ASP 61 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1vcy s LYS 62 N -2.32 0.30 -0.06 -0.67 -2.85 -1.15 -5.01 119.74 107.97 1vcy s LYS 62 Ca -0.16 0.01 0.02 0.00 -1.00 0.00 0.00 55.97 54.83 1vcy s LYS 62 Cb 0.05 0.14 0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1vcy s LYS 62 CO 0.22 -0.10 -0.08 -0.47 0.10 0.00 0.00 175.35 175.01 1vcy s TYR 63 N -1.46 1.09 0.19 1.78 5.04 -1.26 -0.43 117.35 122.31 1vcy s TYR 63 Ca 0.06 -0.37 0.10 0.00 -2.44 0.00 0.00 57.07 54.42 1vcy s TYR 63 Cb -0.01 -0.86 -0.04 0.00 0.35 0.00 0.00 41.96 41.39 1vcy s TYR 63 CO -0.04 -0.24 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.20 1vcy s ASP 64 N 0.82 3.17 -0.08 4.32 1.11 0.01 -5.00 116.67 121.02 1vcy s ASP 64 Ca -0.12 -0.87 -0.11 0.00 0.18 0.00 0.00 52.55 51.63 1vcy s ASP 64 Cb -0.15 -0.22 0.02 0.00 1.07 0.00 0.00 42.92 43.64 1vcy s ASP 64 CO 0.02 0.06 0.27 -1.58 1.18 0.00 0.00 175.17 175.12 1vcy s GLN 65 N -2.75 0.41 -0.13 8.23 0.74 -1.26 -1.59 119.66 123.31 1vcy s GLN 65 Ca 0.19 0.20 -0.05 0.00 0.05 0.00 0.00 55.36 55.76 1vcy s GLN 65 Cb -0.07 0.19 0.06 0.00 1.10 0.00 0.00 33.01 34.30 1vcy s GLN 65 CO 0.09 -0.07 0.25 0.45 -0.55 0.00 0.00 175.29 175.45 1vcy s SER 66 N -0.29 0.45 -0.20 6.67 0.15 -0.65 -4.98 113.70 114.85 1vcy s SER 66 Ca -0.04 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 1vcy s SER 66 Cb -0.03 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1vcy s SER 66 CO 0.01 -0.24 -0.14 -0.89 1.20 0.00 0.00 173.24 173.18 1vcy s THR 67 N 2.40 2.56 -0.06 6.45 2.01 -1.26 -0.31 115.64 127.43 1vcy s THR 67 Ca 0.02 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1vcy s THR 67 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1vcy s THR 67 CO -0.08 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.53 1vcy s ILE 68 N 1.36 2.80 0.90 1.82 1.01 0.15 -4.99 121.20 124.24 1vcy s ILE 68 Ca 0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1vcy s ILE 68 Cb -0.14 -2.08 0.13 0.00 0.01 0.00 0.00 42.46 40.38 1vcy s ILE 68 CO -0.09 0.58 1.13 0.21 0.00 0.00 0.00 174.94 176.76 1vcy s ASN 69 N -0.51 3.57 0.08 3.58 3.04 -1.26 -1.86 114.94 121.59 1vcy s ASN 69 Ca 0.07 1.04 -0.36 0.00 0.04 0.00 0.00 52.86 53.64 1vcy s ASN 69 Cb -0.12 -1.64 -0.18 0.00 -1.54 0.00 0.00 41.25 37.77 1vcy s ASN 69 CO 0.01 -2.52 1.01 0.00 -3.04 0.00 0.00 177.10 172.57 1vcy n GLN 70 N -3.75 0.35 -3.51 0.43 1.13 -1.26 -4.57 117.38 106.20 1vcy n GLN 70 Ca 0.06 0.13 -0.11 0.00 -1.94 0.00 0.00 57.00 55.14 1vcy n GLN 70 Cb 0.59 -1.55 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 1vcy n GLN 70 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1vcy s ARG 71 N -0.21 0.28 -0.12 -1.09 0.52 -0.30 -4.91 118.95 113.13 1vcy s ARG 71 Ca 0.82 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.41 1vcy s ARG 71 Cb -1.09 -0.26 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 1vcy s ARG 71 CO 0.55 -0.47 2.11 -2.00 0.02 0.00 0.00 175.30 175.50 1vcy s GLU 72 N 2.51 3.54 0.31 3.54 2.56 -1.26 -1.92 118.70 127.99 1vcy s GLU 72 Ca 0.06 2.26 -0.18 0.00 0.00 0.00 0.00 54.97 57.10 1vcy s GLU 72 Cb -0.14 -4.28 0.03 0.00 2.00 0.00 0.00 34.13 31.73 1vcy s GLU 72 CO -0.13 -1.64 0.71 1.14 -0.56 0.00 0.00 175.26 174.78 1vcy s GLN 73 N 5.57 1.88 0.39 4.30 -2.07 -0.37 -4.95 119.66 124.42 1vcy s GLN 73 Ca 0.95 -1.15 -0.03 0.00 -1.82 0.00 0.00 55.36 53.31 1vcy s GLN 73 Cb -0.37 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1vcy s GLN 73 CO 0.38 -0.86 0.65 -1.21 -1.32 0.00 0.00 175.29 172.93 1vcy s GLU 74 N -3.50 3.55 0.12 9.60 2.02 -1.26 -1.35 118.70 127.88 1vcy s GLU 74 Ca 0.14 -0.03 -0.20 0.00 0.02 0.00 0.00 54.97 54.90 1vcy s GLU 74 Cb -0.05 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.56 1vcy s GLU 74 CO 0.09 0.02 1.76 0.28 0.02 0.00 0.00 175.26 177.43 1vcy h VAL 75 N 0.68 1.05 -0.92 2.63 2.07 -1.08 -2.09 116.25 118.59 1vcy h VAL 75 Ca -0.48 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1vcy h VAL 75 Cb 1.21 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1vcy h VAL 75 CO 0.62 0.05 0.58 1.23 0.02 0.00 0.00 177.57 180.07 1vcy h GLY 76 N 0.22 1.41 1.01 2.17 0.00 -0.77 0.55 103.07 107.67 1vcy h GLY 76 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1vcy h GLY 76 CO -0.01 0.27 0.28 0.23 0.00 0.00 0.00 176.54 177.30 1vcy h SER 77 N 1.03 0.88 0.54 0.19 0.87 -1.73 -1.11 113.55 114.23 1vcy h SER 77 Ca 0.41 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1vcy h SER 77 Cb 0.22 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1vcy h SER 77 CO -0.19 0.79 -0.26 -0.03 -0.53 0.00 0.00 176.83 176.62 1vcy h MET 78 N 0.91 -0.70 -1.02 2.24 -1.53 -0.47 -2.25 114.93 112.11 1vcy h MET 78 Ca 0.22 0.05 0.24 0.00 -3.44 0.00 0.00 59.70 56.77 1vcy h MET 78 Cb 0.17 0.16 -0.10 0.00 -0.55 0.00 0.00 31.60 31.28 1vcy h MET 78 CO -0.02 -0.46 0.64 0.28 0.14 0.00 0.00 176.91 177.48 1vcy h VAL 79 N -0.98 0.57 0.09 -5.77 2.07 0.01 -0.17 116.25 112.06 1vcy h VAL 79 Ca -0.07 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1vcy h VAL 79 Cb 0.55 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1vcy h VAL 79 CO 0.12 0.09 -0.04 0.44 0.02 0.00 0.00 177.57 178.20 1vcy h ASP 80 N 0.51 -0.10 -0.68 0.57 5.19 -1.18 0.23 116.42 120.95 1vcy h ASP 80 Ca 0.60 -0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.96 1vcy h ASP 80 Cb 1.31 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.79 1vcy h ASP 80 CO -0.35 0.04 0.38 0.11 -3.12 0.00 0.00 179.24 176.30 1vcy h LYS 81 N -0.25 0.69 -0.47 3.56 1.57 -0.46 0.24 116.57 121.45 1vcy h LYS 81 Ca -0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1vcy h LYS 81 Cb 0.20 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1vcy h LYS 81 CO 0.02 0.45 0.31 0.82 -0.57 0.00 0.00 179.45 180.48 1vcy h ILE 82 N 0.71 1.11 -0.62 1.86 2.04 -0.91 0.15 117.51 121.85 1vcy h ILE 82 Ca 0.30 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1vcy h ILE 82 Cb 0.18 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1vcy h ILE 82 CO -0.18 0.11 0.20 0.00 0.00 0.00 0.00 178.15 178.28 1vcy h ALA 83 N 1.18 0.81 -0.65 1.87 0.00 -0.05 -1.66 119.26 120.76 1vcy h ALA 83 Ca 0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1vcy h ALA 83 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1vcy h ALA 83 CO -0.05 0.47 0.18 -0.22 0.00 0.00 0.00 179.25 179.63 1vcy h LYS 84 N 0.88 1.00 -0.37 0.00 3.64 -0.07 -1.20 116.57 120.45 1vcy h LYS 84 Ca 0.20 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vcy h LYS 84 Cb 0.28 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1vcy h LYS 84 CO -0.01 0.87 0.22 0.35 -2.27 0.00 0.00 179.45 178.61 1vcy h PHE 85 N 0.96 0.49 0.54 1.91 3.57 -0.35 -2.04 116.94 122.02 1vcy h PHE 85 Ca 0.21 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1vcy h PHE 85 Cb 0.30 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.89 1vcy h PHE 85 CO 0.02 0.36 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.13 1vcy h LEU 86 N 0.48 -0.62 -0.82 0.59 3.38 -0.97 -2.37 115.31 114.98 1vcy h LEU 86 Ca 0.13 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.21 1vcy h LEU 86 Cb 0.01 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1vcy h LEU 86 CO -0.02 -0.30 0.38 -0.09 0.09 0.00 0.00 178.44 178.50 1vcy h ARG 87 N -0.95 0.51 0.00 1.13 2.43 -1.23 -0.01 114.38 116.26 1vcy h ARG 87 Ca -0.07 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1vcy h ARG 87 Cb 0.63 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1vcy h ARG 87 CO 0.12 0.34 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.94 1vcy h ASP 88 N 0.53 0.00 0.51 -3.80 3.32 -1.37 -3.30 116.42 112.32 1vcy h ASP 88 Ca 0.46 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.22 1vcy h ASP 88 Cb 0.70 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1vcy h ASP 88 CO -0.40 0.54 -1.63 0.00 -1.72 0.00 0.00 179.24 176.03 1vcy h ALA 89 N 1.46 0.63 -3.62 3.45 0.00 -0.77 -3.47 119.26 116.93 1vcy h ALA 89 Ca -0.01 -1.35 -0.68 0.00 0.00 0.00 0.00 54.91 52.87 1vcy h ALA 89 Cb 1.09 0.41 -0.32 0.00 0.00 0.00 0.00 17.79 18.97 1vcy h ALA 89 CO 0.07 1.47 -0.88 -0.06 0.00 0.00 0.00 179.25 179.85 1vcy s PHE 90 N -2.61 2.48 0.40 0.00 0.08 -0.10 -4.99 117.98 113.24 1vcy s PHE 90 Ca -0.06 -0.90 0.08 0.00 0.12 0.00 0.00 56.93 56.17 1vcy s PHE 90 Cb 0.08 -1.64 0.84 0.00 -0.57 0.00 0.00 43.02 41.73 1vcy s PHE 90 CO 0.82 -0.33 1.99 0.77 -0.10 0.00 0.00 175.22 178.37 1vcy h SER 91 N 6.44 0.34 0.05 1.36 0.02 -1.88 -1.57 113.55 118.31 1vcy h SER 91 Ca -0.25 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1vcy h SER 91 Cb 1.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1vcy h SER 91 CO 0.47 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 1vcy n ALA 92 N -2.49 1.65 -3.60 3.77 0.00 -1.26 -3.78 120.51 114.80 1vcy n ALA 92 Ca 0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1vcy n ALA 92 Cb 0.16 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 1vcy n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vcy s VAL 93 N -2.22 1.16 -0.13 0.00 1.01 -0.59 -4.83 120.40 114.80 1vcy s VAL 93 Ca 0.09 -2.86 -0.26 0.00 0.00 0.00 0.00 61.98 58.95 1vcy s VAL 93 Cb 0.05 -1.80 -0.26 0.00 0.00 0.00 0.00 36.38 34.37 1vcy s VAL 93 CO 0.09 -1.06 0.72 -0.37 0.00 0.00 0.00 175.10 174.48 1vcy h VAL 94 N 4.80 1.63 -4.02 2.92 -1.51 -1.78 -3.39 116.25 114.89 1vcy h VAL 94 Ca 0.14 -2.37 -0.47 0.00 -1.23 0.00 0.00 66.70 62.77 1vcy h VAL 94 Cb 0.89 3.21 0.02 0.00 -2.13 0.00 0.00 31.29 33.28 1vcy h VAL 94 CO 0.46 0.60 0.39 -0.62 -1.23 0.00 0.00 177.57 177.17 1vcy s ASP 95 N -6.45 6.59 -0.14 4.19 -1.08 -1.26 -4.97 116.67 113.55 1vcy s ASP 95 Ca -0.19 1.95 0.01 0.00 -0.52 0.00 0.00 52.55 53.79 1vcy s ASP 95 Cb -0.01 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.79 1vcy s ASP 95 CO 0.71 -0.61 -0.12 -0.11 0.52 0.00 0.00 175.17 175.56 1vcy n LEU 96 N -0.54 2.94 0.30 -1.34 -0.00 -1.26 -4.56 117.00 112.54 1vcy n LEU 96 Ca 0.07 -0.07 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1vcy n LEU 96 Cb 0.51 -0.47 -0.09 0.00 -0.00 0.00 0.00 43.42 43.37 1vcy n LEU 96 CO 0.42 0.72 0.52 0.77 -0.00 0.00 0.00 177.39 179.82 1vcy h SER 97 N -0.01 -1.29 -0.98 1.96 4.64 -1.98 -0.54 113.55 115.34 1vcy h SER 97 Ca -0.30 0.10 0.22 0.00 -0.47 0.00 0.00 61.79 61.34 1vcy h SER 97 Cb 1.47 0.42 -0.12 0.00 -0.31 0.00 0.00 62.40 63.85 1vcy h SER 97 CO -0.05 -0.65 0.57 0.11 -0.87 0.00 0.00 176.83 175.94 1vcy h LYS 98 N -0.99 0.59 0.00 4.77 1.57 -2.00 -0.86 116.57 119.65 1vcy h LYS 98 Ca -0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1vcy h LYS 98 Cb 0.85 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1vcy h LYS 98 CO -0.03 0.39 0.00 -0.11 -0.57 0.00 0.00 179.45 179.13 1vcy n LEU 99 N -4.87 0.09 -0.44 2.94 7.94 -0.97 -2.18 117.00 119.50 1vcy n LEU 99 Ca 0.25 0.82 0.36 0.00 -1.11 0.00 0.00 56.01 56.33 1vcy n LEU 99 Cb 0.67 -0.38 0.66 0.00 0.53 0.00 0.00 43.42 44.90 1vcy n LEU 99 CO 0.17 -0.38 1.28 1.23 -1.11 0.00 0.00 177.39 178.58 1vcy h GLY 100 N 0.00 0.92 0.90 -3.96 0.00 -0.87 0.55 103.07 100.61 1vcy h GLY 100 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1vcy h GLY 100 CO 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 176.54 176.05 1vcy h ALA 101 N 1.50 -0.72 -0.85 3.60 0.00 -1.12 -0.42 119.26 121.25 1vcy h ALA 101 Ca 0.75 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.60 1vcy h ALA 101 Cb 2.48 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 20.46 1vcy h ALA 101 CO -0.28 -0.85 0.47 0.82 0.00 0.00 0.00 179.25 179.41 1vcy h ILE 102 N -0.83 0.83 -0.26 0.00 2.04 -0.40 0.80 117.51 119.69 1vcy h ILE 102 Ca -0.07 -0.25 -0.19 0.00 1.00 0.00 0.00 64.86 65.35 1vcy h ILE 102 Cb 0.60 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1vcy h ILE 102 CO 0.12 0.13 -0.58 0.40 0.00 0.00 0.00 178.15 178.23 1vcy h ILE 103 N 0.73 1.28 -0.53 -0.67 2.04 -1.38 -2.53 117.51 116.46 1vcy h ILE 103 Ca 0.43 -1.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1vcy h ILE 103 Cb 0.50 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1vcy h ILE 103 CO -0.30 0.57 0.08 0.25 0.00 0.00 0.00 178.15 178.75 1vcy h LEU 104 N 0.62 0.85 0.06 1.44 5.85 -0.30 -2.59 115.31 121.24 1vcy h LEU 104 Ca 0.01 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1vcy h LEU 104 Cb 1.18 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1vcy h LEU 104 CO 0.12 0.90 -0.05 0.78 -0.34 0.00 0.00 178.44 179.85 1vcy h ASN 105 N 0.76 -0.13 -0.46 1.25 -0.26 -0.86 -0.55 115.58 115.34 1vcy h ASN 105 Ca 0.16 0.01 0.09 0.00 -0.56 0.00 0.00 56.30 56.00 1vcy h ASN 105 Cb 0.42 0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.65 1vcy h ASN 105 CO 0.01 -0.08 -0.00 0.74 -1.06 0.00 0.00 177.43 177.04 1vcy h THR 106 N -0.11 0.64 0.00 2.81 2.02 -1.35 0.42 112.91 117.34 1vcy h THR 106 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1vcy h THR 106 Cb 0.11 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1vcy h THR 106 CO -0.01 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1vcy n PHE 107 N -5.22 0.14 0.67 3.16 3.72 -0.99 -1.44 117.46 117.50 1vcy n PHE 107 Ca 0.04 0.04 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 1vcy n PHE 107 Cb 0.24 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.15 1vcy n PHE 107 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vcy n THR 108 N -1.61 0.05 -1.45 4.37 -2.24 -0.23 -4.24 114.28 108.92 1vcy n THR 108 Ca 0.07 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1vcy n THR 108 Cb 0.34 0.52 0.15 0.00 -2.10 0.00 0.00 70.33 69.24 1vcy n THR 108 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1vcy n ASN 109 N -1.79 1.83 -0.30 3.42 4.13 0.06 -4.17 115.26 118.43 1vcy n ASN 109 Ca 0.02 -3.30 0.10 0.00 1.68 0.00 0.00 54.58 53.08 1vcy n ASN 109 Cb 0.41 -0.45 0.26 0.00 -1.54 0.00 0.00 39.78 38.47 1vcy n ASN 109 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1vcy h LEU 110 N 0.49 0.49 -0.80 3.41 3.38 -1.42 -1.99 115.31 118.87 1vcy h LEU 110 Ca -0.02 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1vcy h LEU 110 Cb 1.09 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1vcy h LEU 110 CO 0.01 0.15 0.37 -0.08 0.09 0.00 0.00 178.44 178.97 1vcy h GLU 111 N 0.56 0.50 0.40 1.13 4.81 -1.88 0.51 114.58 120.62 1vcy h GLU 111 Ca 0.51 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1vcy h GLU 111 Cb 0.82 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1vcy h GLU 111 CO -0.42 0.33 -0.19 0.93 -0.73 0.00 0.00 179.01 178.93 1vcy h GLU 112 N 0.52 -0.52 0.00 1.92 5.08 -1.77 -3.22 114.58 116.58 1vcy h GLU 112 Ca 0.44 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1vcy h GLU 112 Cb 0.67 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1vcy h GLU 112 CO -0.39 -0.31 0.00 0.39 -1.00 0.00 0.00 179.01 177.70 1vcy n GLU 113 N -5.14 0.10 -0.19 2.33 1.02 -1.04 -3.76 120.64 113.95 1vcy n GLU 113 Ca -0.07 0.24 0.30 0.00 -0.02 0.00 0.00 57.16 57.60 1vcy n GLU 113 Cb 0.23 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 30.79 1vcy n GLU 113 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1vcy h SER 114 N 0.00 0.00 -0.54 1.62 0.87 0.01 0.36 113.55 115.87 1vcy h SER 114 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vcy h SER 114 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1vcy h SER 114 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1vcy n SER 115 N -3.64 3.60 -4.80 6.23 7.64 -1.25 -4.95 113.62 116.45 1vcy n SER 115 Ca 0.21 -1.98 -0.32 0.00 1.01 0.00 0.00 58.87 57.79 1vcy n SER 115 Cb 1.23 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 64.11 1vcy n SER 115 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vcy s SER 116 N -1.17 5.43 0.00 6.43 0.01 0.13 -4.95 113.70 119.58 1vcy s SER 116 Ca 0.41 1.75 0.29 0.00 1.31 0.00 0.00 55.95 59.71 1vcy s SER 116 Cb 0.22 -2.52 1.45 0.00 0.21 0.00 0.00 66.02 65.39 1vcy s SER 116 CO 0.30 -1.41 2.01 0.61 0.41 0.00 0.00 173.24 175.16 1vcy n GLY 117 N -1.37 -1.28 1.88 3.44 0.00 -1.16 -3.57 105.19 103.14 1vcy n GLY 117 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1vcy n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vcy n PHE 118 N -1.31 2.29 -3.82 1.61 1.16 -0.83 -4.25 117.46 112.32 1vcy n PHE 118 Ca 0.13 -1.22 -0.14 0.00 -1.87 0.00 0.00 57.45 54.35 1vcy n PHE 118 Cb 0.24 -0.66 -0.15 0.00 -1.61 0.00 0.00 39.48 37.30 1vcy n PHE 118 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1vcy s LEU 119 N -3.01 1.51 -0.08 5.98 1.43 -1.23 -0.31 118.68 122.96 1vcy s LEU 119 Ca 0.54 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1vcy s LEU 119 Cb 0.43 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.64 1vcy s LEU 119 CO 0.12 -0.07 -0.05 -1.58 0.23 0.00 0.00 176.35 175.01 1vcy s GLN 120 N 0.57 1.09 0.40 1.70 2.00 -0.08 -4.87 119.66 120.48 1vcy s GLN 120 Ca -0.05 -0.11 0.06 0.00 -2.00 0.00 0.00 55.36 53.27 1vcy s GLN 120 Cb -0.07 -1.24 0.00 0.00 0.80 0.00 0.00 33.01 32.51 1vcy s GLN 120 CO -0.02 -0.23 0.56 0.12 -0.50 0.00 0.00 175.29 175.22 1vcy s PHE 121 N 1.63 2.97 -0.27 1.67 5.36 -1.26 -0.44 117.98 127.64 1vcy s PHE 121 Ca 0.01 -0.23 -0.38 0.00 -0.96 0.00 0.00 56.93 55.37 1vcy s PHE 121 Cb -0.13 -2.26 0.16 0.00 -0.34 0.00 0.00 43.02 40.44 1vcy s PHE 121 CO -0.05 -0.30 1.39 -1.54 -1.46 0.00 0.00 175.22 173.25 1vcy s SER 122 N -4.28 -0.01 0.12 6.13 1.04 -1.10 -4.95 113.70 110.65 1vcy s SER 122 Ca 0.51 -0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.98 1vcy s SER 122 Cb -0.10 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1vcy s SER 122 CO 0.33 -0.03 -0.11 0.42 0.98 0.00 0.00 173.24 174.84 1vcy s THR 123 N -2.05 1.10 -0.40 2.02 -4.23 -1.26 -2.15 115.64 108.68 1vcy s THR 123 Ca 0.12 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1vcy s THR 123 Cb -0.00 -1.61 0.10 0.00 1.34 0.00 0.00 72.50 72.33 1vcy s THR 123 CO -0.03 -0.62 0.18 0.21 -0.54 0.00 0.00 174.62 173.82 1vcy s ASN 124 N -2.77 5.22 0.41 3.99 3.84 0.10 -4.97 114.94 120.76 1vcy s ASN 124 Ca 0.11 -1.95 0.12 0.00 0.21 0.00 0.00 52.86 51.35 1vcy s ASN 124 Cb -0.01 -1.82 0.96 0.00 -0.55 0.00 0.00 41.25 39.83 1vcy s ASN 124 CO 0.01 -0.51 1.94 0.78 -2.79 0.00 0.00 177.10 176.52 1vcy h ASN 125 N 8.04 0.47 0.09 -4.21 4.21 -1.99 0.29 115.58 122.48 1vcy h ASN 125 Ca -0.14 0.02 -0.15 0.00 1.21 0.00 0.00 56.30 57.24 1vcy h ASN 125 Cb 1.05 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 38.18 1vcy h ASN 125 CO 0.68 0.27 -0.71 0.58 -1.29 0.00 0.00 177.43 176.95 1vcy h VAL 126 N 0.51 1.48 0.00 2.81 2.07 -1.96 -3.36 116.25 117.81 1vcy h VAL 126 Ca 0.34 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.39 1vcy h VAL 126 Cb 0.62 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1vcy h VAL 126 CO -0.11 0.66 -0.13 0.11 0.02 0.00 0.00 177.57 178.12 1vcy h LYS 127 N -0.57 0.00 -4.56 1.57 1.79 -1.93 -3.47 116.57 109.39 1vcy h LYS 127 Ca -0.14 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.05 1vcy h LYS 127 Cb 1.47 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 32.22 1vcy h LYS 127 CO 0.07 0.13 -0.51 1.63 -1.08 0.00 0.00 179.45 179.69 1vcy n LYS 128 N -3.16 -5.59 -4.11 3.15 4.76 0.99 -5.02 118.16 109.19 1vcy n LYS 128 Ca 0.03 0.61 -0.13 0.00 -2.87 0.00 0.00 58.31 55.95 1vcy n LYS 128 Cb 0.52 -4.96 -0.06 0.00 -1.84 0.00 0.00 35.03 28.68 1vcy n LYS 128 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1vcy s ASN 129 N -3.41 0.48 0.32 4.39 2.20 -1.23 -4.10 114.94 113.59 1vcy s ASN 129 Ca 0.33 -1.32 0.05 0.00 -0.94 0.00 0.00 52.86 50.98 1vcy s ASN 129 Cb -0.14 0.56 -0.03 0.00 -2.00 0.00 0.00 41.25 39.63 1vcy s ASN 129 CO 0.53 -1.11 0.21 -0.94 -2.94 0.00 0.00 177.10 172.85 1vcy s SER 130 N -3.16 1.58 0.18 3.54 1.04 -0.68 -0.73 113.70 115.47 1vcy s SER 130 Ca 0.31 -1.66 -0.17 0.00 0.48 0.00 0.00 55.95 54.92 1vcy s SER 130 Cb 0.02 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1vcy s SER 130 CO 0.15 -0.98 0.50 -0.94 0.98 0.00 0.00 173.24 172.96 1vcy s SER 131 N -3.38 -0.25 -0.00 7.02 1.04 -0.91 -1.76 113.70 115.45 1vcy s SER 131 Ca 0.37 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1vcy s SER 131 Cb 0.04 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 1vcy s SER 131 CO 0.22 -1.02 -0.05 0.26 0.98 0.00 0.00 173.24 173.63 1vcy s TRP 132 N -3.87 0.42 -0.20 5.02 0.52 0.05 -2.70 118.94 118.18 1vcy s TRP 132 Ca 0.09 -0.09 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 1vcy s TRP 132 Cb -0.00 -0.27 -0.01 0.00 -1.15 0.00 0.00 33.47 32.03 1vcy s TRP 132 CO -0.04 -0.01 -0.04 -2.00 0.02 0.00 0.00 176.95 174.88 1vcy s GLU 133 N -0.15 3.45 -0.20 4.98 2.12 0.42 -0.95 118.70 128.37 1vcy s GLU 133 Ca 0.01 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 1vcy s GLU 133 Cb -0.02 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 1vcy s GLU 133 CO -0.00 -0.09 -0.05 -0.47 -0.54 0.00 0.00 175.26 174.10 1vcy s TYR 134 N 1.21 2.95 -0.24 5.30 5.04 -0.05 -0.90 117.35 130.66 1vcy s TYR 134 Ca 0.03 -0.84 -0.05 0.00 -2.44 0.00 0.00 57.07 53.77 1vcy s TYR 134 Cb -0.14 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 1vcy s TYR 134 CO -0.01 -0.46 -0.01 1.03 -1.34 0.00 0.00 175.55 174.76 1vcy s ARG 135 N 1.24 3.32 0.02 4.97 0.52 0.57 -1.13 118.95 128.46 1vcy s ARG 135 Ca 0.03 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1vcy s ARG 135 Cb -0.14 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 1vcy s ARG 135 CO -0.02 -0.26 -0.08 0.54 0.02 0.00 0.00 175.30 175.51 1vcy s VAL 136 N 1.49 0.60 -0.18 3.52 0.11 -0.35 -0.18 120.40 125.40 1vcy s VAL 136 Ca 0.05 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1vcy s VAL 136 Cb -0.15 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1vcy s VAL 136 CO -0.01 -0.09 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.26 1vcy s LEU 137 N -0.86 2.13 -0.18 2.54 2.96 0.27 -1.38 118.68 124.17 1vcy s LEU 137 Ca -0.03 -0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 53.12 1vcy s LEU 137 Cb -0.06 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1vcy s LEU 137 CO 0.00 -0.02 0.15 -0.36 -1.32 0.00 0.00 176.35 174.81 1vcy s PHE 138 N 1.31 3.46 -0.05 5.38 0.08 -1.05 -1.89 117.98 125.21 1vcy s PHE 138 Ca 0.04 0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.51 1vcy s PHE 138 Cb -0.13 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1vcy s PHE 138 CO -0.12 0.38 -0.06 -1.12 -0.10 0.00 0.00 175.22 174.19 1vcy s SER 139 N 0.08 1.23 0.02 1.36 0.01 -0.78 0.34 113.70 115.96 1vcy s SER 139 Ca 0.10 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.16 1vcy s SER 139 Cb -0.11 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1vcy s SER 139 CO -0.00 -0.04 0.04 0.68 0.41 0.00 0.00 173.24 174.33 1vcy s VAL 140 N 0.92 0.12 0.00 3.43 -7.23 -1.08 -1.90 120.40 114.66 1vcy s VAL 140 Ca -0.11 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1vcy s VAL 140 Cb -0.15 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.23 1vcy s VAL 140 CO 0.01 -0.54 0.00 -0.81 -0.31 0.00 0.00 175.10 173.44 1vcy n PRO 141 N 1.23 -1.14 0.05 4.82 -0.04 -1.26 -0.06 135.00 138.60 1vcy n PRO 141 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1vcy n PRO 141 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1vcy n PRO 141 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1vcy n PHE 142 N -2.47 -0.43 -0.69 0.54 7.35 -0.95 -4.32 117.46 116.49 1vcy n PHE 142 Ca 0.00 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1vcy n PHE 142 Cb 0.00 0.13 0.00 0.00 0.35 0.00 0.00 39.48 39.96 1vcy n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1vcy n GLY 143 N 2.91 0.54 3.94 7.13 0.00 -1.26 -5.01 105.19 113.43 1vcy n GLY 143 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1vcy n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vcy n ALA 146 N -0.55 -2.65 0.02 4.61 0.00 -1.26 -5.13 120.51 115.55 1vcy n ALA 146 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.00 1vcy n ALA 146 Cb 0.23 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.06 1vcy n ALA 146 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vcy n PRO 147 N -3.90 0.01 -0.93 0.00 -0.02 -1.26 -1.31 135.00 127.58 1vcy n PRO 147 Ca -0.20 0.27 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 1vcy n PRO 147 Cb 0.60 -1.82 0.28 0.00 -0.02 0.00 0.00 33.50 32.54 1vcy n PRO 147 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vcy n SER 148 N -1.32 4.33 -4.08 2.55 3.41 -1.26 -4.93 113.62 112.33 1vcy n SER 148 Ca -0.00 -3.30 -0.13 0.00 -0.26 0.00 0.00 58.87 55.18 1vcy n SER 148 Cb 0.29 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 1vcy n SER 148 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1vcy s TYR 149 N -3.03 0.72 0.21 7.33 2.02 -0.43 -1.22 117.35 122.94 1vcy s TYR 149 Ca 0.52 -0.52 -0.14 0.00 -0.37 0.00 0.00 57.07 56.57 1vcy s TYR 149 Cb 0.43 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.57 1vcy s TYR 149 CO 0.11 -0.08 0.45 -0.59 -1.57 0.00 0.00 175.55 173.87 1vcy s PHE 150 N -1.49 0.19 0.19 2.71 -0.71 0.27 -2.25 117.98 116.89 1vcy s PHE 150 Ca -0.08 -0.55 0.03 0.00 -1.04 0.00 0.00 56.93 55.28 1vcy s PHE 150 Cb -0.09 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1vcy s PHE 150 CO 0.00 -0.90 0.33 0.71 -1.34 0.00 0.00 175.22 174.02 1vcy s TYR 151 N -3.95 3.48 -0.09 3.49 2.02 0.92 0.03 117.35 123.25 1vcy s TYR 151 Ca 0.16 0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.94 1vcy s TYR 151 Cb 0.00 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.94 1vcy s TYR 151 CO 0.02 0.47 0.15 -1.12 -1.57 0.00 0.00 175.55 173.50 1vcy s SER 152 N -3.45 0.90 -0.68 2.29 0.01 -0.78 -2.64 113.70 109.36 1vcy s SER 152 Ca 0.35 0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.81 1vcy s SER 152 Cb -0.10 0.21 0.17 0.00 0.21 0.00 0.00 66.02 66.51 1vcy s SER 152 CO 0.29 -0.25 0.51 -0.22 0.41 0.00 0.00 173.24 173.98 1vcy s LEU 153 N 2.27 5.41 -0.06 2.44 2.96 0.15 -0.61 118.68 131.26 1vcy s LEU 153 Ca 0.04 -2.96 -0.30 0.00 -0.22 0.00 0.00 54.13 50.69 1vcy s LEU 153 Cb -0.12 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1vcy s LEU 153 CO -0.06 -0.36 1.84 -0.69 -1.32 0.00 0.00 176.35 175.76 1vcy s VAL 154 N -0.22 3.30 -0.01 1.68 1.01 -0.50 -2.53 120.40 123.13 1vcy s VAL 154 Ca 0.18 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1vcy s VAL 154 Cb -0.18 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1vcy s VAL 154 CO -0.05 -0.06 -0.09 -0.89 0.00 0.00 0.00 175.10 174.01 1vcy s THR 155 N 4.85 0.74 0.01 3.92 2.01 -0.48 -1.28 115.64 125.41 1vcy s THR 155 Ca 0.82 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.45 1vcy s THR 155 Cb -0.36 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 1vcy s THR 155 CO 0.35 0.21 -0.08 0.42 -0.69 0.00 0.00 174.62 174.83 1vcy s THR 156 N -0.21 0.64 -0.12 -0.82 -4.23 -0.18 -1.22 115.64 109.50 1vcy s THR 156 Ca 0.03 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1vcy s THR 156 Cb -0.04 -0.57 0.04 0.00 1.34 0.00 0.00 72.50 73.27 1vcy s THR 156 CO -0.00 0.06 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.49 1vcy s ILE 157 N -0.45 0.64 -0.26 2.99 1.01 -0.29 -1.31 121.20 123.53 1vcy s ILE 157 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1vcy s ILE 157 Cb -0.05 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1vcy s ILE 157 CO 0.00 0.18 0.09 -0.22 0.00 0.00 0.00 174.94 174.98 1vcy s LEU 158 N 1.85 3.60 -0.14 2.97 2.96 -0.10 -0.87 118.68 128.95 1vcy s LEU 158 Ca 0.03 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1vcy s LEU 158 Cb -0.14 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1vcy s LEU 158 CO -0.07 -0.08 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.15 1vcy s ILE 159 N 1.61 3.28 0.12 6.68 -1.09 -0.12 -1.37 121.20 130.30 1vcy s ILE 159 Ca 0.06 -0.58 0.11 0.00 -2.23 0.00 0.00 60.65 58.00 1vcy s ILE 159 Cb -0.16 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1vcy s ILE 159 CO 0.04 0.51 -0.26 -0.89 -1.23 0.00 0.00 174.94 173.12 1vcy s THR 160 N 0.39 2.32 0.16 2.92 2.01 -0.09 -0.77 115.64 122.58 1vcy s THR 160 Ca -0.09 -1.68 -0.17 0.00 0.31 0.00 0.00 61.69 60.06 1vcy s THR 160 Cb -0.15 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1vcy s THR 160 CO 0.05 0.13 0.47 0.00 -0.69 0.00 0.00 174.62 174.57 1vcy s ALA 161 N -1.04 -0.94 -1.59 7.40 0.00 -0.72 -1.42 121.76 123.44 1vcy s ALA 161 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1vcy s ALA 161 Cb -0.10 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 1vcy s ALA 161 CO 0.06 -0.73 2.85 -0.40 0.00 0.00 0.00 175.76 177.54 1vcy n ASP 162 N -0.29 8.15 -3.98 0.00 5.75 -1.22 -2.68 116.55 122.29 1vcy n ASP 162 Ca -0.13 -2.64 -0.31 0.00 -0.01 0.00 0.00 54.79 51.71 1vcy n ASP 162 Cb 0.63 -1.56 -0.15 0.00 -1.03 0.00 0.00 41.12 39.01 1vcy n ASP 162 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1vcy s ILE 163 N 2.10 1.73 0.10 2.12 1.01 -1.26 -4.94 121.20 122.07 1vcy s ILE 163 Ca 0.66 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1vcy s ILE 163 Cb 0.17 -1.94 -0.16 0.00 0.01 0.00 0.00 42.46 40.55 1vcy s ILE 163 CO -0.06 -0.06 1.30 -0.08 0.00 0.00 0.00 174.94 176.03 1vcy h GLU 164 N 7.90 0.76 -5.81 2.79 4.81 -1.85 -1.82 114.58 121.36 1vcy h GLU 164 Ca -0.19 -0.65 -0.64 0.00 -0.13 0.00 0.00 59.36 57.75 1vcy h GLU 164 Cb 1.06 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1vcy h GLU 164 CO 0.43 1.25 -0.38 -1.21 -0.73 0.00 0.00 179.01 178.38 1vcy s GLU 165 N -3.68 3.61 0.30 1.92 0.41 -1.26 -4.74 118.70 115.27 1vcy s GLU 165 Ca -0.10 0.04 -0.00 0.00 -0.41 0.00 0.00 54.97 54.50 1vcy s GLU 165 Cb 0.08 -3.17 0.51 0.00 -1.78 0.00 0.00 34.13 29.77 1vcy s GLU 165 CO 0.91 0.72 1.94 -0.22 -0.49 0.00 0.00 175.26 178.12 1vcy h LYS 166 N 4.67 1.02 0.00 1.61 3.64 -1.97 0.42 116.57 125.96 1vcy h LYS 166 Ca -0.53 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1vcy h LYS 166 Cb 1.22 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1vcy h LYS 166 CO 0.61 0.67 0.00 1.79 -2.27 0.00 0.00 179.45 180.25 1vcy h THR 167 N 1.05 0.00 0.00 1.00 1.35 -1.98 -0.86 112.91 113.47 1vcy h THR 167 Ca 0.35 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1vcy h THR 167 Cb 0.06 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1vcy h THR 167 CO -0.11 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.39 1vcy h GLY 168 N 0.49 0.00 0.26 5.82 0.00 -0.55 -2.04 103.07 107.05 1vcy h GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vcy h GLY 168 CO 0.00 0.00 -0.33 0.79 0.00 0.00 0.00 176.54 177.00 1vcy n TRP 169 N -2.90 0.00 -2.55 5.60 7.02 -0.33 -4.91 117.44 119.38 1vcy n TRP 169 Ca -0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.07 1vcy n TRP 169 Cb 0.21 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 28.92 1vcy n TRP 169 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1vcy s TRP 170 N -2.59 3.65 -0.68 -5.99 0.23 -0.77 -4.02 118.94 108.78 1vcy s TRP 170 Ca 0.21 1.67 -0.01 0.00 -2.03 0.00 0.00 56.10 55.95 1vcy s TRP 170 Cb 0.19 -3.23 -0.01 0.00 0.03 0.00 0.00 33.47 30.45 1vcy s TRP 170 CO 0.56 -0.42 0.57 0.41 0.96 0.00 0.00 176.95 179.03 1vcy n GLY 171 N 1.81 -0.08 3.68 0.98 0.00 -1.26 -5.01 105.19 105.30 1vcy n GLY 171 Ca 0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1vcy n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vcy s LEU 172 N -4.50 4.17 0.35 0.99 1.02 -1.26 -5.08 118.68 114.38 1vcy s LEU 172 Ca 0.06 0.52 0.07 0.00 0.02 0.00 0.00 54.13 54.80 1vcy s LEU 172 Cb -0.01 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.69 1vcy s LEU 172 CO 0.43 -0.04 0.39 0.42 0.02 0.00 0.00 176.35 177.56 1vcy s THR 173 N 1.15 3.63 0.40 5.49 -4.23 -1.26 -4.21 115.64 116.61 1vcy s THR 173 Ca 0.19 -1.19 0.15 0.00 -1.18 0.00 0.00 61.69 59.65 1vcy s THR 173 Cb -0.14 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 70.81 1vcy s THR 173 CO 0.07 -0.14 1.88 -1.28 -0.54 0.00 0.00 174.62 174.61 1vcy h SER 174 N 1.04 0.47 -0.33 3.99 0.87 -1.96 -1.17 113.55 116.46 1vcy h SER 174 Ca -0.44 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1vcy h SER 174 Cb 1.26 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1vcy h SER 174 CO 0.55 0.22 0.00 -1.54 -0.53 0.00 0.00 176.83 175.53 1vcy n SER 175 N -4.52 2.91 -4.74 6.23 3.41 -1.26 -0.09 113.62 115.56 1vcy n SER 175 Ca 0.17 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 1vcy n SER 175 Cb 0.59 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1vcy n SER 175 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vcy s THR 176 N -1.57 2.52 -0.16 6.66 2.01 -0.44 -4.74 115.64 119.91 1vcy s THR 176 Ca 0.37 0.42 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 1vcy s THR 176 Cb 0.21 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1vcy s THR 176 CO 0.30 0.06 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.49 1vcy s LYS 177 N -0.03 3.59 0.13 4.92 2.20 -1.26 -1.44 119.74 127.85 1vcy s LYS 177 Ca 0.63 -0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 1vcy s LYS 177 Cb -0.44 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1vcy s LYS 177 CO 0.41 0.16 0.33 0.15 -0.36 0.00 0.00 175.35 176.05 1vcy s LYS 178 N 0.57 1.07 -1.02 4.03 -0.14 -0.46 -4.94 119.74 118.85 1vcy s LYS 178 Ca -0.03 -0.90 -0.23 0.00 -1.36 0.00 0.00 55.97 53.45 1vcy s LYS 178 Cb -0.15 0.42 0.04 0.00 -1.68 0.00 0.00 37.83 36.47 1vcy s LYS 178 CO 0.03 -0.40 1.49 1.21 -0.76 0.00 0.00 175.35 176.92 1vcy s ASN 179 N -2.86 6.42 -0.14 2.83 2.47 -1.26 -1.23 114.94 121.16 1vcy s ASN 179 Ca 0.07 -1.43 -0.15 0.00 0.42 0.00 0.00 52.86 51.77 1vcy s ASN 179 Cb 0.03 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 37.21 1vcy s ASN 179 CO -0.08 -1.58 0.35 -0.36 -3.72 0.00 0.00 177.10 171.71 1vcy s PHE 180 N 5.31 3.50 0.05 0.43 0.08 -0.81 -3.37 117.98 123.17 1vcy s PHE 180 Ca 0.48 0.71 0.07 0.00 0.12 0.00 0.00 56.93 58.31 1vcy s PHE 180 Cb -0.00 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1vcy s PHE 180 CO -0.09 0.25 -0.17 0.00 -0.10 0.00 0.00 175.22 175.11 1vcy s ALA 181 N 0.39 2.64 -0.01 5.36 0.00 -0.51 -1.15 121.76 128.49 1vcy s ALA 181 Ca 0.20 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 1vcy s ALA 181 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1vcy s ALA 181 CO 0.06 0.58 0.15 0.14 0.00 0.00 0.00 175.76 176.69 1vcy s VAL 182 N -0.97 0.07 -0.07 0.00 -7.23 -0.77 -0.91 120.40 110.51 1vcy s VAL 182 Ca 0.15 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1vcy s VAL 182 Cb -0.11 -0.41 0.02 0.00 0.56 0.00 0.00 36.38 36.44 1vcy s VAL 182 CO 0.06 -0.32 -0.05 -1.58 -0.31 0.00 0.00 175.10 172.91 1vcy s GLN 183 N -1.16 1.02 -0.15 4.82 0.74 -0.47 0.31 119.66 124.76 1vcy s GLN 183 Ca -0.12 -0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1vcy s GLN 183 Cb -0.07 -1.13 -0.02 0.00 1.10 0.00 0.00 33.01 32.89 1vcy s GLN 183 CO 0.01 -0.19 -0.07 0.42 -0.55 0.00 0.00 175.29 174.92 1vcy s ILE 184 N 1.43 3.58 -0.12 -2.34 -1.09 0.58 -0.93 121.20 122.32 1vcy s ILE 184 Ca -0.02 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1vcy s ILE 184 Cb -0.13 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.21 1vcy s ILE 184 CO -0.03 0.50 -0.13 -1.81 -1.23 0.00 0.00 174.94 172.24 1vcy s ASP 185 N 0.37 2.41 -0.05 3.58 1.11 -0.43 -1.64 116.67 122.03 1vcy s ASP 185 Ca -0.06 -0.41 -0.02 0.00 0.18 0.00 0.00 52.55 52.23 1vcy s ASP 185 Cb -0.15 -1.05 0.03 0.00 1.07 0.00 0.00 42.92 42.83 1vcy s ASP 185 CO 0.04 -0.03 0.10 0.00 1.18 0.00 0.00 175.17 176.47 1vcy s ALA 186 N 1.22 -0.16 -0.10 5.23 0.00 -0.62 -1.01 121.76 126.32 1vcy s ALA 186 Ca -0.02 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1vcy s ALA 186 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1vcy s ALA 186 CO -0.05 -0.13 -0.16 -1.17 0.00 0.00 0.00 175.76 174.25 1vcy s LEU 187 N 1.02 1.77 -0.24 0.00 0.20 -0.41 -0.81 118.68 120.22 1vcy s LEU 187 Ca -0.08 -0.43 -0.10 0.00 0.69 0.00 0.00 54.13 54.21 1vcy s LEU 187 Cb -0.11 -1.10 -0.05 0.00 -0.43 0.00 0.00 46.19 44.50 1vcy s LEU 187 CO -0.04 0.04 0.14 -0.70 -0.29 0.00 0.00 176.35 175.49 1vcy s GLU 188 N 0.85 3.99 0.21 1.98 2.12 0.43 -1.41 118.70 126.87 1vcy s GLU 188 Ca -0.09 -0.31 0.08 0.00 0.36 0.00 0.00 54.97 55.01 1vcy s GLU 188 Cb -0.15 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1vcy s GLU 188 CO 0.00 0.02 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.22 1vcy s LEU 189 N 1.15 3.23 -0.29 2.70 1.43 0.22 -0.92 118.68 126.19 1vcy s LEU 189 Ca 0.07 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1vcy s LEU 189 Cb -0.14 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1vcy s LEU 189 CO 0.05 0.06 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 1vcy s VAL 190 N -1.92 2.87 -0.09 -1.59 1.01 0.68 -1.86 120.40 119.50 1vcy s VAL 190 Ca 0.28 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1vcy s VAL 190 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1vcy s VAL 190 CO 0.19 -0.10 -0.01 -0.69 0.00 0.00 0.00 175.10 174.49 1vcy s VAL 191 N 1.23 4.20 -0.13 2.92 1.01 0.10 -1.72 120.40 128.02 1vcy s VAL 191 Ca -0.06 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1vcy s VAL 191 Cb -0.20 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1vcy s VAL 191 CO -0.02 0.60 0.10 -0.75 0.00 0.00 0.00 175.10 175.03 1vcy s LYS 192 N -0.81 3.47 -0.02 2.72 2.20 0.62 -0.57 119.74 127.35 1vcy s LYS 192 Ca 0.12 -0.23 -0.37 0.00 -0.36 0.00 0.00 55.97 55.14 1vcy s LYS 192 Cb -0.11 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 32.93 1vcy s LYS 192 CO 0.02 0.66 1.57 1.17 -0.36 0.00 0.00 175.35 178.41 1vcy n LYS 193 N 2.35 1.49 0.00 4.03 4.81 -0.36 -1.80 118.16 128.67 1vcy n LYS 193 Ca -0.19 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1vcy n LYS 193 Cb 0.54 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.34 1vcy n LYS 193 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vcy n GLY 194 N 3.42 1.54 3.40 3.14 0.00 -1.26 -5.05 105.19 110.37 1vcy n GLY 194 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1vcy n GLY 194 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vcy n PHE 195 N 0.00 -0.91 -3.95 1.61 7.35 -0.75 -5.00 117.46 115.82 1vcy n PHE 195 Ca 0.00 0.70 -0.18 0.00 -0.76 0.00 0.00 57.45 57.21 1vcy n PHE 195 Cb 0.00 -1.93 -0.16 0.00 0.35 0.00 0.00 39.48 37.74 1vcy n PHE 195 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1vcy s LYS 196 N -1.26 0.38 -0.12 -4.13 -0.14 -1.26 -4.69 119.74 108.52 1vcy s LYS 196 Ca 0.62 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 55.00 1vcy s LYS 196 Cb -0.69 -0.56 -0.07 0.00 -1.68 0.00 0.00 37.83 34.83 1vcy s LYS 196 CO 0.59 -0.14 2.12 0.00 -0.76 0.00 0.00 175.35 177.16 1vcy n ALA 197 N 4.22 1.67 -1.68 5.17 0.00 -1.26 -4.87 120.51 123.76 1vcy n ALA 197 Ca -0.24 -0.06 -0.47 0.00 0.00 0.00 0.00 53.44 52.67 1vcy n ALA 197 Cb 0.50 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 1vcy n ALA 197 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vcy n PRO 198 N 8.23 2.33 -0.47 0.00 -0.04 -1.26 -4.98 135.00 138.82 1vcy n PRO 198 Ca 0.26 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1vcy n PRO 198 Cb 0.42 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1vcy n PRO 198 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55