#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cny n TRP 5 N 0.00 1.21 -1.79 4.41 4.27 -1.26 -4.81 117.44 119.47 1cny n TRP 5 Ca 0.00 0.49 0.00 0.00 -3.89 0.00 0.00 57.50 54.10 1cny n TRP 5 Cb 0.00 -2.22 0.00 0.00 -1.36 0.00 0.00 31.31 27.73 1cny n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1cny n GLY 6 N 1.15 2.61 0.00 -1.67 0.00 -0.18 -5.03 105.19 102.07 1cny n GLY 6 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1cny n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cny n TYR 7 N 0.00 0.00 -1.45 1.61 4.02 -1.26 -3.97 117.16 116.11 1cny n TYR 7 Ca 0.00 -0.36 -0.30 0.00 -0.01 0.00 0.00 57.90 57.23 1cny n TYR 7 Cb 0.00 -0.04 0.19 0.00 -0.02 0.00 0.00 39.34 39.48 1cny n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1cny s GLY 8 N -0.73 1.64 0.11 2.72 0.00 -1.26 -4.68 107.32 105.11 1cny s GLY 8 Ca 0.00 -0.89 0.22 0.00 0.00 0.00 0.00 44.72 44.05 1cny s GLY 8 CO 0.00 -0.13 1.68 1.17 0.00 0.00 0.00 173.10 175.82 1cny n LYS 9 N -4.19 0.10 -0.03 2.90 4.81 -1.26 -1.05 118.16 119.44 1cny n LYS 9 Ca 0.12 0.24 0.03 0.00 -0.87 0.00 0.00 58.31 57.83 1cny n LYS 9 Cb 0.59 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.86 1cny n LYS 9 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1cny n HIS 10 N -1.84 0.00 -0.37 5.64 8.25 -1.26 -4.52 115.22 121.13 1cny n HIS 10 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1cny n HIS 10 Cb 0.27 -0.53 0.02 0.00 1.12 0.00 0.00 29.99 30.87 1cny n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cny n ASN 11 N -2.26 1.60 -4.54 0.41 6.94 -1.24 -4.93 115.26 111.24 1cny n ASN 11 Ca -0.11 -1.93 -0.28 0.00 -0.02 0.00 0.00 54.58 52.23 1cny n ASN 11 Cb 0.65 -0.05 0.23 0.00 -2.36 0.00 0.00 39.78 38.24 1cny n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1cny s GLY 12 N -1.02 1.55 0.46 4.83 0.00 -0.21 -1.01 107.32 111.92 1cny s GLY 12 Ca 0.04 -0.17 0.28 0.00 0.00 0.00 0.00 44.72 44.87 1cny s GLY 12 CO 0.00 0.52 1.73 -2.55 0.00 0.00 0.00 173.10 172.80 1cny h PRO 13 N -2.43 0.18 0.00 2.90 0.11 -1.83 0.53 132.00 131.46 1cny h PRO 13 Ca -0.59 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1cny h PRO 13 Cb 1.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1cny h PRO 13 CO 0.52 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 1cny n GLU 14 N -4.48 0.16 -0.00 1.05 0.00 -1.26 -2.57 120.64 113.54 1cny n GLU 14 Ca 0.29 0.55 0.06 0.00 0.00 0.00 0.00 57.16 58.06 1cny n GLU 14 Cb 1.19 -1.91 -0.07 0.00 0.00 0.00 0.00 31.44 30.65 1cny n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1cny n HIS 15 N -2.22 0.00 -0.13 -1.84 8.25 0.18 -4.70 115.22 114.75 1cny n HIS 15 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1cny n HIS 15 Cb 0.11 -0.05 0.54 0.00 1.12 0.00 0.00 29.99 31.71 1cny n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cny h TRP 16 N 0.00 0.39 -0.06 4.41 6.55 -1.49 -2.49 115.95 123.26 1cny h TRP 16 Ca 0.00 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.87 1cny h TRP 16 Cb 0.32 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1cny h TRP 16 CO 0.00 0.16 0.05 1.12 -1.05 0.00 0.00 178.44 178.71 1cny h HIS 17 N 0.34 0.00 -0.54 0.49 2.07 -1.79 0.35 115.15 116.06 1cny h HIS 17 Ca 0.34 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.77 1cny h HIS 17 Cb 0.84 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.80 1cny h HIS 17 CO -0.00 0.00 -0.02 0.87 -3.07 0.00 0.00 177.93 175.71 1cny h LYS 18 N 0.00 0.94 0.00 5.12 1.57 -1.80 -2.59 116.57 119.81 1cny h LYS 18 Ca 0.03 -0.29 -0.16 0.00 -1.87 0.00 0.00 60.65 58.36 1cny h LYS 18 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1cny h LYS 18 CO -0.00 0.94 -2.14 -0.25 -0.57 0.00 0.00 179.45 177.43 1cny n ASP 19 N -4.18 0.03 -3.77 0.86 8.00 -0.65 -4.72 116.55 112.11 1cny n ASP 19 Ca 0.03 0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1cny n ASP 19 Cb 0.34 1.52 -0.12 0.00 -0.02 0.00 0.00 41.12 42.84 1cny n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cny s PHE 20 N -3.07 2.68 0.55 1.24 0.08 0.11 -4.98 117.98 114.59 1cny s PHE 20 Ca -0.09 -2.91 0.25 0.00 0.12 0.00 0.00 56.93 54.31 1cny s PHE 20 Cb 0.10 -2.21 1.48 0.00 -0.57 0.00 0.00 43.02 41.82 1cny s PHE 20 CO 0.87 -0.69 2.06 -1.35 -0.10 0.00 0.00 175.22 176.01 1cny h PRO 21 N 5.97 0.00 0.00 0.24 0.11 -1.69 -1.16 132.00 135.47 1cny h PRO 21 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1cny h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1cny h PRO 21 CO 0.59 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.89 1cny n ILE 22 N -4.16 1.34 0.05 4.15 3.06 -1.26 -2.34 119.36 120.20 1cny n ILE 22 Ca 0.04 0.33 0.20 0.00 -2.50 0.00 0.00 62.75 60.83 1cny n ILE 22 Cb 0.41 -1.18 0.73 0.00 0.54 0.00 0.00 39.64 40.14 1cny n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cny h ALA 23 N 2.31 2.28 -0.36 1.51 0.00 -1.53 0.90 119.26 124.36 1cny h ALA 23 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1cny h ALA 23 Cb 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1cny h ALA 23 CO 0.00 -0.63 0.02 1.63 0.00 0.00 0.00 179.25 180.27 1cny n LYS 24 N -4.04 2.45 -0.73 0.00 5.02 -0.99 -4.99 118.16 114.89 1cny n LYS 24 Ca 0.08 -3.01 -0.19 0.00 -2.02 0.00 0.00 58.31 53.17 1cny n LYS 24 Cb 0.59 -1.87 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 1cny n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cny n GLY 25 N -0.80 -2.49 0.09 0.72 0.00 0.31 -4.98 105.19 98.03 1cny n GLY 25 Ca 0.29 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.94 1cny n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cny n GLU 26 N -3.51 0.27 -3.16 1.61 -0.58 -1.26 -4.53 120.64 109.48 1cny n GLU 26 Ca 0.10 0.16 -0.20 0.00 -0.42 0.00 0.00 57.16 56.80 1cny n GLU 26 Cb 0.37 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 1cny n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1cny n ARG 27 N -2.19 0.85 -4.08 3.49 1.85 -1.26 -4.82 116.66 110.50 1cny n ARG 27 Ca 0.05 -3.20 -0.31 0.00 -1.00 0.00 0.00 57.85 53.39 1cny n ARG 27 Cb 0.43 -1.46 -0.07 0.00 -1.05 0.00 0.00 32.46 30.32 1cny n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cny s GLN 28 N -1.67 2.95 0.00 2.89 -1.52 -1.26 -2.22 119.66 118.83 1cny s GLN 28 Ca 0.37 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 53.17 1cny s GLN 28 Cb 0.26 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 1cny s GLN 28 CO -0.10 0.60 0.00 0.43 -0.25 0.00 0.00 175.29 175.97 1cny n SER 29 N 0.76 -0.63 -4.93 5.90 7.64 -1.26 -4.69 113.62 116.41 1cny n SER 29 Ca -0.10 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.56 1cny n SER 29 Cb 0.52 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 63.45 1cny n SER 29 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1cny s PRO 30 N -0.21 2.38 0.15 1.43 0.04 -1.26 -4.57 135.00 132.96 1cny s PRO 30 Ca 0.00 -0.81 -0.01 0.00 0.04 0.00 0.00 61.00 60.22 1cny s PRO 30 Cb 0.00 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1cny s PRO 30 CO 0.00 -0.86 0.08 0.14 0.04 0.00 0.00 177.00 176.39 1cny s VAL 31 N -2.85 0.08 -0.04 -0.36 -7.23 -1.26 0.35 120.40 109.09 1cny s VAL 31 Ca 0.59 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1cny s VAL 31 Cb -0.10 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1cny s VAL 31 CO 0.40 -0.35 0.49 -0.62 -0.31 0.00 0.00 175.10 174.70 1cny s ASP 32 N -3.07 6.82 -0.48 4.85 2.15 -1.26 -2.85 116.67 122.82 1cny s ASP 32 Ca 0.28 0.97 -0.18 0.00 0.43 0.00 0.00 52.55 54.05 1cny s ASP 32 Cb 0.07 -2.30 0.05 0.00 -0.30 0.00 0.00 42.92 40.45 1cny s ASP 32 CO 0.04 0.14 0.52 -0.63 -0.17 0.00 0.00 175.17 175.07 1cny s ILE 33 N -0.19 5.02 -0.52 4.11 1.01 0.20 -4.93 121.20 125.90 1cny s ILE 33 Ca 0.27 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1cny s ILE 33 Cb -0.17 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1cny s ILE 33 CO 0.13 -0.66 0.79 -0.62 0.00 0.00 0.00 174.94 174.59 1cny s ASP 34 N 2.48 6.31 0.42 3.58 -1.08 -1.26 0.11 116.67 127.22 1cny s ASP 34 Ca 0.11 -0.52 0.21 0.00 -0.52 0.00 0.00 52.55 51.84 1cny s ASP 34 Cb -0.20 -2.37 0.87 0.00 -1.46 0.00 0.00 42.92 39.75 1cny s ASP 34 CO 0.11 -1.04 1.82 0.71 0.52 0.00 0.00 175.17 177.28 1cny h THR 35 N 5.95 0.74 0.02 1.71 1.35 -1.95 -2.10 112.91 118.63 1cny h THR 35 Ca -0.26 -1.23 -0.20 0.00 -0.55 0.00 0.00 66.41 64.16 1cny h THR 35 Cb 1.08 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1cny h THR 35 CO 1.02 0.28 -0.93 0.45 -0.25 0.00 0.00 175.52 176.09 1cny h HIS 36 N 0.00 0.14 0.00 4.73 3.86 -2.03 -3.25 115.15 118.59 1cny h HIS 36 Ca -0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1cny h HIS 36 Cb 0.76 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1cny h HIS 36 CO 0.00 0.96 -0.70 2.41 0.86 0.00 0.00 177.93 181.46 1cny n THR 37 N -3.53 0.01 -2.09 2.45 -1.04 -1.18 -4.92 114.28 103.99 1cny n THR 37 Ca -0.02 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1cny n THR 37 Cb 0.86 0.51 -0.01 0.00 -1.82 0.00 0.00 70.33 69.87 1cny n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cny s ALA 38 N -3.01 3.36 -0.31 2.41 0.00 -0.80 -4.87 121.76 118.54 1cny s ALA 38 Ca 0.10 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1cny s ALA 38 Cb 0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1cny s ALA 38 CO 0.77 -0.74 0.49 0.21 0.00 0.00 0.00 175.76 176.48 1cny s LYS 39 N -2.06 3.81 -0.04 0.00 2.36 0.31 -4.83 119.74 119.29 1cny s LYS 39 Ca 0.54 0.01 -0.30 0.00 -2.55 0.00 0.00 55.97 53.67 1cny s LYS 39 Cb -0.39 -3.74 -0.06 0.00 -1.05 0.00 0.00 37.83 32.60 1cny s LYS 39 CO 0.50 -0.50 1.73 -0.47 1.55 0.00 0.00 175.35 178.16 1cny s TYR 40 N 2.31 1.82 -0.27 4.03 5.04 -1.26 0.27 117.35 129.30 1cny s TYR 40 Ca 0.19 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 1cny s TYR 40 Cb -0.16 -3.99 0.06 0.00 0.35 0.00 0.00 41.96 38.23 1cny s TYR 40 CO 0.12 -4.18 -0.09 0.34 -1.34 0.00 0.00 175.55 170.39 1cny s ASP 41 N 3.68 4.42 0.35 4.32 -1.08 -0.62 -4.88 116.67 122.86 1cny s ASP 41 Ca 0.77 -1.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.61 1cny s ASP 41 Cb -0.35 -1.52 1.05 0.00 -1.46 0.00 0.00 42.92 40.64 1cny s ASP 41 CO 0.32 -0.21 1.79 -0.65 0.52 0.00 0.00 175.17 176.94 1cny h PRO 42 N 7.77 0.00 0.00 4.34 0.11 -1.92 -2.99 132.00 139.31 1cny h PRO 42 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1cny h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1cny h PRO 42 CO 0.46 0.00 -0.21 -1.13 -0.21 0.00 0.00 178.00 176.91 1cny n SER 43 N -2.53 0.22 -4.69 -2.05 3.41 -1.26 -4.83 113.62 101.89 1cny n SER 43 Ca 0.02 0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 1cny n SER 43 Cb 0.29 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1cny n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1cny s LEU 44 N -3.05 4.29 0.59 1.04 2.96 -1.13 -5.03 118.68 118.36 1cny s LEU 44 Ca 0.13 1.91 -0.08 0.00 -0.22 0.00 0.00 54.13 55.86 1cny s LEU 44 Cb 0.18 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1cny s LEU 44 CO 0.60 -0.62 0.95 -0.54 -1.32 0.00 0.00 176.35 175.42 1cny s LYS 45 N 2.22 3.31 0.35 1.98 1.02 -1.24 -5.00 119.74 122.39 1cny s LYS 45 Ca 0.58 0.39 -0.28 0.00 0.02 0.00 0.00 55.97 56.68 1cny s LYS 45 Cb -0.27 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1cny s LYS 45 CO 0.23 -0.57 1.27 -2.14 -0.92 0.00 0.00 175.35 173.22 1cny s PRO 46 N -5.05 4.24 0.46 -1.68 0.02 -1.26 -2.89 135.00 128.85 1cny s PRO 46 Ca 0.53 2.13 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 1cny s PRO 46 Cb -0.11 -2.96 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 1cny s PRO 46 CO 0.49 -0.25 1.13 -0.51 -0.33 0.00 0.00 177.00 177.53 1cny s LEU 47 N -2.01 3.98 -0.30 -5.54 1.43 -1.26 -2.47 118.68 112.51 1cny s LEU 47 Ca 0.51 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.85 1cny s LEU 47 Cb -0.38 -4.31 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1cny s LEU 47 CO 0.49 -0.87 -0.00 -0.55 0.23 0.00 0.00 176.35 175.65 1cny s SER 48 N -1.51 4.50 -0.30 2.29 0.15 0.17 -4.87 113.70 114.12 1cny s SER 48 Ca 0.64 -1.79 -0.08 0.00 0.70 0.00 0.00 55.95 55.42 1cny s SER 48 Cb -0.26 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1cny s SER 48 CO 0.31 -0.32 0.11 -0.69 1.20 0.00 0.00 173.24 173.85 1cny s VAL 49 N 1.08 4.23 -0.49 4.45 1.01 -1.26 -1.23 120.40 128.19 1cny s VAL 49 Ca 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1cny s VAL 49 Cb -0.19 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1cny s VAL 49 CO -0.09 0.07 0.23 -0.44 0.00 0.00 0.00 175.10 174.87 1cny s SER 50 N 1.55 4.32 -0.08 3.32 0.01 -0.21 -4.89 113.70 117.71 1cny s SER 50 Ca 0.03 -2.86 0.12 0.00 1.31 0.00 0.00 55.95 54.56 1cny s SER 50 Cb -0.17 -1.59 0.35 0.00 0.21 0.00 0.00 66.02 64.82 1cny s SER 50 CO 0.04 -0.25 1.27 -1.22 0.41 0.00 0.00 173.24 173.48 1cny n TYR 51 N 3.31 0.52 -0.21 2.43 4.01 -1.26 -1.22 117.16 124.74 1cny n TYR 51 Ca 0.05 -0.70 -0.02 0.00 -0.16 0.00 0.00 57.90 57.07 1cny n TYR 51 Cb 0.34 -0.15 0.20 0.00 -0.31 0.00 0.00 39.34 39.41 1cny n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cny h ASP 52 N 1.42 0.88 -0.53 7.72 2.03 -1.90 -2.67 116.42 123.37 1cny h ASP 52 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1cny h ASP 52 Cb 1.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1cny h ASP 52 CO 0.08 0.73 0.00 1.67 -1.03 0.00 0.00 179.24 180.69 1cny n GLN 53 N -4.35 3.23 -1.76 4.15 -0.06 -1.25 -5.02 117.38 112.32 1cny n GLN 53 Ca 0.07 -2.32 -0.41 0.00 -2.00 0.00 0.00 57.00 52.34 1cny n GLN 53 Cb 0.11 -1.78 -0.01 0.00 -4.06 0.00 0.00 30.24 24.51 1cny n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cny n ALA 54 N 0.87 2.43 -3.94 1.69 0.00 -1.01 -4.61 120.51 115.95 1cny n ALA 54 Ca 0.21 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 1cny n ALA 54 Cb 0.75 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.62 1cny n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cny s THR 55 N -0.73 2.27 0.43 0.00 2.01 -1.26 -4.88 115.64 113.47 1cny s THR 55 Ca 0.57 -2.79 -0.22 0.00 0.31 0.00 0.00 61.69 59.55 1cny s THR 55 Cb -0.48 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 1cny s THR 55 CO 0.59 -0.73 1.01 -0.94 -0.69 0.00 0.00 174.62 173.86 1cny s SER 56 N 0.30 6.72 0.03 3.53 1.04 -1.26 -1.41 113.70 122.65 1cny s SER 56 Ca 0.14 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1cny s SER 56 Cb -0.23 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1cny s SER 56 CO -0.04 -0.51 0.00 0.18 0.98 0.00 0.00 173.24 173.84 1cny n LEU 57 N -0.44 0.17 -3.80 2.42 4.77 -0.64 -4.11 117.00 115.38 1cny n LEU 57 Ca 0.07 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1cny n LEU 57 Cb 0.52 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1cny n LEU 57 CO 0.41 -0.23 0.52 0.00 -1.33 0.00 0.00 177.39 176.76 1cny s ARG 58 N -2.00 1.62 -0.03 3.23 1.04 -1.23 -0.43 118.95 121.15 1cny s ARG 58 Ca 0.00 -0.87 0.05 0.00 -1.04 0.00 0.00 55.73 53.86 1cny s ARG 58 Cb 0.00 0.56 -0.01 0.00 -2.04 0.00 0.00 34.95 33.47 1cny s ARG 58 CO 0.00 -0.74 -0.18 -1.50 -0.04 0.00 0.00 175.30 172.84 1cny s ILE 59 N -3.76 1.46 -0.02 4.99 2.07 -0.63 -0.70 121.20 124.61 1cny s ILE 59 Ca 0.10 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 58.59 1cny s ILE 59 Cb -0.05 -1.24 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1cny s ILE 59 CO 0.04 0.42 -0.00 -0.22 -1.91 0.00 0.00 174.94 173.27 1cny s LEU 60 N -0.12 1.42 -0.32 8.50 2.96 -0.14 -1.83 118.68 129.16 1cny s LEU 60 Ca -0.00 -0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 53.70 1cny s LEU 60 Cb -0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 1cny s LEU 60 CO 0.01 -0.06 0.54 0.21 -1.32 0.00 0.00 176.35 175.73 1cny s ASN 61 N 0.68 6.38 0.00 3.68 3.84 -0.45 -0.27 114.94 128.80 1cny s ASN 61 Ca -0.06 0.21 0.16 0.00 0.21 0.00 0.00 52.86 53.37 1cny s ASN 61 Cb -0.09 -2.29 0.42 0.00 -0.55 0.00 0.00 41.25 38.74 1cny s ASN 61 CO -0.01 -0.44 1.34 -0.46 -2.79 0.00 0.00 177.10 174.74 1cny n ASN 62 N 5.74 3.27 0.00 -4.21 0.23 -0.99 -0.02 115.26 119.28 1cny n ASN 62 Ca -0.04 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1cny n ASN 62 Cb 0.49 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1cny n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cny n GLY 63 N 1.02 1.16 0.00 4.83 0.00 -1.26 -4.79 105.19 106.15 1cny n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1cny n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cny n HIS 64 N -2.00 0.00 -3.61 1.61 -0.00 -1.26 -4.66 115.22 105.30 1cny n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1cny n HIS 64 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1cny n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cny n ALA 65 N -0.82 -1.25 -2.81 1.59 0.00 -1.26 -4.86 120.51 111.10 1cny n ALA 65 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 1cny n ALA 65 Cb 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1cny n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cny s PHE 66 N -4.37 2.12 -0.05 0.00 -0.12 -1.26 -2.35 117.98 111.94 1cny s PHE 66 Ca 0.11 -0.62 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 1cny s PHE 66 Cb -0.02 -1.40 -0.02 0.00 -0.63 0.00 0.00 43.02 40.95 1cny s PHE 66 CO 0.03 -0.20 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.99 1cny s ASN 67 N -0.08 3.35 -0.30 1.98 0.02 0.62 -4.06 114.94 116.47 1cny s ASN 67 Ca -0.04 -0.42 -0.09 0.00 -1.02 0.00 0.00 52.86 51.29 1cny s ASN 67 Cb -0.13 -0.77 -0.01 0.00 0.02 0.00 0.00 41.25 40.36 1cny s ASN 67 CO 0.03 0.28 0.14 -0.69 0.02 0.00 0.00 177.10 176.88 1cny s VAL 68 N -0.36 4.56 -0.07 1.60 1.01 -0.42 -0.96 120.40 125.75 1cny s VAL 68 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1cny s VAL 68 Cb -0.12 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1cny s VAL 68 CO 0.02 0.11 0.25 -1.61 0.00 0.00 0.00 175.10 173.87 1cny s GLU 69 N 1.61 3.63 0.11 2.72 2.02 0.12 -1.93 118.70 126.98 1cny s GLU 69 Ca 0.05 0.08 0.09 0.00 0.02 0.00 0.00 54.97 55.21 1cny s GLU 69 Cb -0.17 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1cny s GLU 69 CO 0.06 0.74 -0.20 -0.06 0.02 0.00 0.00 175.26 175.82 1cny s PHE 70 N -1.06 2.48 -0.28 1.61 0.40 -0.21 -1.61 117.98 119.31 1cny s PHE 70 Ca 0.19 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 55.93 1cny s PHE 70 Cb -0.14 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1cny s PHE 70 CO 0.08 0.36 1.14 0.34 0.70 0.00 0.00 175.22 177.84 1cny s ASP 71 N -2.04 6.92 -0.24 1.36 2.15 -0.50 -4.77 116.67 119.56 1cny s ASP 71 Ca 0.17 1.24 0.10 0.00 0.43 0.00 0.00 52.55 54.49 1cny s ASP 71 Cb -0.10 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.41 1cny s ASP 71 CO 0.08 -0.86 1.26 -0.90 -0.17 0.00 0.00 175.17 174.58 1cny n ASP 72 N 6.87 2.22 0.09 -0.34 5.75 -1.26 -4.68 116.55 125.20 1cny n ASP 72 Ca 0.13 -3.88 0.13 0.00 -0.01 0.00 0.00 54.79 51.16 1cny n ASP 72 Cb 0.46 -0.53 0.45 0.00 -1.03 0.00 0.00 41.12 40.48 1cny n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cny n SER 73 N -1.07 0.62 -3.64 -1.12 3.41 -1.26 -4.85 113.62 105.70 1cny n SER 73 Ca 0.24 0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1cny n SER 73 Cb 0.77 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1cny n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cny s GLN 74 N -3.11 1.05 -0.33 4.33 -0.21 -1.26 -5.06 119.66 115.07 1cny s GLN 74 Ca 0.10 -0.68 -0.02 0.00 0.02 0.00 0.00 55.36 54.78 1cny s GLN 74 Cb 0.13 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 34.57 1cny s GLN 74 CO 0.54 -0.40 1.42 -0.25 -2.12 0.00 0.00 175.29 174.48 1cny n ASP 75 N -0.14 1.90 -0.05 5.90 9.92 -1.26 -4.60 116.55 128.22 1cny n ASP 75 Ca -0.16 -2.08 -0.16 0.00 -0.53 0.00 0.00 54.79 51.86 1cny n ASP 75 Cb 0.63 -0.69 -0.13 0.00 -0.64 0.00 0.00 41.12 40.29 1cny n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1cny h LYS 76 N 7.07 0.06 -4.61 -1.24 1.57 -1.88 -3.43 116.57 114.10 1cny h LYS 76 Ca 0.18 -0.11 -0.65 0.00 -1.87 0.00 0.00 60.65 58.21 1cny h LYS 76 Cb 0.10 0.04 -0.38 0.00 0.08 0.00 0.00 32.23 32.06 1cny h LYS 76 CO 1.09 1.05 -0.77 0.00 -0.57 0.00 0.00 179.45 180.25 1cny s ALA 77 N -2.27 2.47 0.27 3.86 0.00 -1.26 -3.85 121.76 120.98 1cny s ALA 77 Ca -0.18 -1.92 0.06 0.00 0.00 0.00 0.00 51.96 49.92 1cny s ALA 77 Cb -0.02 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 1cny s ALA 77 CO 0.71 -1.39 -0.03 0.14 0.00 0.00 0.00 175.76 175.20 1cny s VAL 78 N 1.14 1.44 -0.05 0.00 -7.23 -0.35 -1.61 120.40 113.74 1cny s VAL 78 Ca -0.01 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1cny s VAL 78 Cb -0.19 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1cny s VAL 78 CO -0.08 -0.28 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.12 1cny s LEU 79 N -3.41 1.64 0.29 1.32 0.20 0.51 -1.04 118.68 118.19 1cny s LEU 79 Ca 0.30 -0.24 -0.15 0.00 0.69 0.00 0.00 54.13 54.73 1cny s LEU 79 Cb 0.05 -0.69 0.01 0.00 -0.43 0.00 0.00 46.19 45.13 1cny s LEU 79 CO 0.11 0.03 0.61 -1.59 -0.29 0.00 0.00 176.35 175.23 1cny s LYS 80 N 0.55 1.79 1.58 1.98 -2.85 -0.37 -1.83 119.74 120.60 1cny s LYS 80 Ca -0.11 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1cny s LYS 80 Cb -0.14 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1cny s LYS 80 CO 0.02 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.09 1cny n GLY 81 N -0.45 -1.59 7.00 0.59 0.00 -1.26 0.41 105.19 109.89 1cny n GLY 81 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1cny n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cny n GLY 82 N 0.00 2.49 0.56 -0.02 0.00 -1.03 -1.39 105.19 105.80 1cny n GLY 82 Ca 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1cny n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cny n PRO 83 N 13.51 1.75 -3.08 1.61 -0.04 -1.26 -3.63 135.00 143.86 1cny n PRO 83 Ca 0.00 -1.12 -0.31 0.00 -0.04 0.00 0.00 63.50 62.04 1cny n PRO 83 Cb 0.00 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1cny n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cny s LEU 84 N -1.71 3.97 -0.10 1.53 1.43 -0.48 -5.09 118.68 118.23 1cny s LEU 84 Ca 0.34 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1cny s LEU 84 Cb 0.19 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1cny s LEU 84 CO 0.29 -0.28 -0.21 -1.81 0.23 0.00 0.00 176.35 174.58 1cny s ASP 85 N -2.82 2.79 0.00 2.29 1.01 -1.26 -4.30 116.67 114.37 1cny s ASP 85 Ca 0.50 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1cny s ASP 85 Cb -0.10 -1.28 0.00 0.00 1.01 0.00 0.00 42.92 42.55 1cny s ASP 85 CO 0.26 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.36 1cny n GLY 86 N 3.73 -0.63 3.69 0.21 0.00 -1.26 -4.95 105.19 105.98 1cny n GLY 86 Ca -0.20 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1cny n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cny s THR 87 N -1.12 5.08 -0.15 2.61 2.01 -1.26 -4.60 115.64 118.21 1cny s THR 87 Ca 0.00 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1cny s THR 87 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 1cny s THR 87 CO 0.00 0.47 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.99 1cny s TYR 88 N 0.22 2.88 -0.10 4.92 1.51 -0.76 -1.20 117.35 124.82 1cny s TYR 88 Ca 0.06 -0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 55.37 1cny s TYR 88 Cb -0.12 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1cny s TYR 88 CO -0.00 -0.21 0.38 1.03 -1.11 0.00 0.00 175.55 175.64 1cny s ARG 89 N 0.48 4.16 0.12 -0.62 0.52 -0.17 -0.36 118.95 123.08 1cny s ARG 89 Ca -0.07 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 1cny s ARG 89 Cb -0.15 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 31.89 1cny s ARG 89 CO 0.04 0.36 1.19 -1.17 0.02 0.00 0.00 175.30 175.74 1cny s LEU 90 N 0.03 4.41 -0.02 2.53 2.96 -0.63 -0.80 118.68 127.16 1cny s LEU 90 Ca 0.21 2.11 0.01 0.00 -0.22 0.00 0.00 54.13 56.24 1cny s LEU 90 Cb -0.15 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1cny s LEU 90 CO 0.09 -0.41 -0.01 0.00 -1.32 0.00 0.00 176.35 174.70 1cny n ILE 91 N 3.22 0.15 -3.48 6.68 3.06 0.58 -4.57 119.36 125.00 1cny n ILE 91 Ca 0.07 -0.07 -0.09 0.00 -2.50 0.00 0.00 62.75 60.15 1cny n ILE 91 Cb 0.46 -0.75 -0.02 0.00 0.54 0.00 0.00 39.64 39.87 1cny n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cny s GLN 92 N -2.05 0.93 0.09 9.51 1.03 -1.23 -1.05 119.66 126.89 1cny s GLN 92 Ca -0.03 -0.34 0.06 0.00 0.04 0.00 0.00 55.36 55.10 1cny s GLN 92 Cb 0.01 0.43 -0.03 0.00 0.03 0.00 0.00 33.01 33.44 1cny s GLN 92 CO 0.07 -0.41 -0.16 -0.59 -2.54 0.00 0.00 175.29 171.66 1cny s PHE 93 N -3.26 1.45 0.31 9.60 -0.12 -0.81 0.24 117.98 125.37 1cny s PHE 93 Ca 0.04 -0.46 -0.13 0.00 -0.05 0.00 0.00 56.93 56.32 1cny s PHE 93 Cb -0.01 -0.79 0.02 0.00 -0.63 0.00 0.00 43.02 41.60 1cny s PHE 93 CO -0.10 0.13 0.61 -3.38 -0.05 0.00 0.00 175.22 172.43 1cny s HIS 94 N -1.38 0.31 0.23 3.49 -3.43 -0.78 -1.30 115.29 112.41 1cny s HIS 94 Ca 0.03 -0.75 0.02 0.00 -0.80 0.00 0.00 55.06 53.56 1cny s HIS 94 Cb -0.09 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 1cny s HIS 94 CO 0.03 -1.23 0.04 -0.06 -2.00 0.00 0.00 174.74 171.52 1cny s PHE 95 N -3.37 1.46 -0.06 0.38 0.40 -1.26 -1.27 117.98 114.26 1cny s PHE 95 Ca 0.20 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1cny s PHE 95 Cb -0.03 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.67 1cny s PHE 95 CO 0.11 -0.20 -0.08 -1.01 0.70 0.00 0.00 175.22 174.75 1cny s HIS 96 N -3.61 1.16 0.23 0.36 3.76 -0.68 -4.73 115.29 111.78 1cny s HIS 96 Ca 0.31 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1cny s HIS 96 Cb 0.07 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 1cny s HIS 96 CO 0.09 -0.28 0.22 1.67 -0.85 0.00 0.00 174.74 175.59 1cny s TRP 97 N 0.98 1.12 0.52 1.40 -2.14 -1.24 -0.04 118.94 119.54 1cny s TRP 97 Ca -0.09 -1.32 0.05 0.00 2.66 0.00 0.00 56.10 57.40 1cny s TRP 97 Cb -0.15 -0.45 0.01 0.00 -3.10 0.00 0.00 33.47 29.79 1cny s TRP 97 CO 0.00 -0.75 0.29 0.20 -2.66 0.00 0.00 176.95 174.03 1cny s GLY 98 N -3.17 2.51 0.11 3.67 0.00 -1.16 -1.83 107.32 107.46 1cny s GLY 98 Ca 0.36 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.99 1cny s GLY 98 CO 0.14 -1.99 1.26 1.48 0.00 0.00 0.00 173.10 173.99 1cny h SER 99 N 0.97 0.00 -2.37 1.64 4.64 -1.90 -3.40 113.55 113.13 1cny h SER 99 Ca -0.39 -0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 1cny h SER 99 Cb 1.30 -0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 1cny h SER 99 CO 0.63 1.00 -0.73 -0.76 -0.87 0.00 0.00 176.83 176.10 1cny s LEU 100 N -6.69 2.61 0.44 5.97 2.01 -1.26 -5.05 118.68 116.70 1cny s LEU 100 Ca 0.01 -1.08 0.23 0.00 0.01 0.00 0.00 54.13 53.30 1cny s LEU 100 Cb 0.10 -0.97 1.01 0.00 0.01 0.00 0.00 46.19 46.34 1cny s LEU 100 CO 0.82 -0.08 1.88 0.44 1.01 0.00 0.00 176.35 180.42 1cny h ASP 101 N 2.26 0.00 0.00 2.29 3.32 -1.92 -3.16 116.42 119.22 1cny h ASP 101 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1cny h ASP 101 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1cny h ASP 101 CO 0.63 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 1cny n GLY 102 N -0.13 -0.95 3.34 2.75 0.00 -1.26 -3.35 105.19 105.58 1cny n GLY 102 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1cny n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cny s GLN 103 N -2.00 1.11 0.00 1.61 -2.07 -1.19 -4.68 119.66 112.43 1cny s GLN 103 Ca 0.30 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 52.93 1cny s GLN 103 Cb 0.14 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 1cny s GLN 103 CO 0.23 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1cny n GLY 104 N -0.21 4.46 3.76 2.60 0.00 -0.96 -3.36 105.19 111.48 1cny n GLY 104 Ca -0.12 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1cny n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cny s SER 105 N 0.00 5.08 -0.16 1.61 1.04 0.46 -3.68 113.70 118.05 1cny s SER 105 Ca 0.00 2.15 -0.15 0.00 0.48 0.00 0.00 55.95 58.43 1cny s SER 105 Cb 0.00 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.44 1cny s SER 105 CO 0.00 -1.65 0.10 -0.33 0.98 0.00 0.00 173.24 172.34 1cny h GLU 106 N 0.33 0.00 -6.91 4.02 5.08 -1.90 -3.46 114.58 111.75 1cny h GLU 106 Ca -0.48 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.41 1cny h GLU 106 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1cny h GLU 106 CO 0.54 0.48 0.37 -1.01 -1.00 0.00 0.00 179.01 178.38 1cny s HIS 107 N -2.18 3.58 0.19 4.33 3.76 -1.26 -4.39 115.29 119.32 1cny s HIS 107 Ca -0.18 1.74 0.08 0.00 -0.15 0.00 0.00 55.06 56.55 1cny s HIS 107 Cb 0.02 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 1cny s HIS 107 CO 0.38 -0.01 -0.15 0.95 -0.85 0.00 0.00 174.74 175.05 1cny s THR 108 N -1.63 1.74 -0.24 1.30 -4.23 -1.13 -4.71 115.64 106.74 1cny s THR 108 Ca 0.52 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1cny s THR 108 Cb -0.19 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 71.74 1cny s THR 108 CO 0.25 -0.52 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.04 1cny s VAL 109 N -2.69 1.75 -1.45 2.29 1.01 -0.66 0.59 120.40 121.25 1cny s VAL 109 Ca 0.20 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1cny s VAL 109 Cb -0.02 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1cny s VAL 109 CO 0.07 -0.03 0.92 0.47 0.00 0.00 0.00 175.10 176.53 1cny n ASP 110 N 4.60 -6.05 0.00 3.32 8.00 0.12 -1.00 116.55 125.52 1cny n ASP 110 Ca -0.13 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1cny n ASP 110 Cb 0.44 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 1cny n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cny n LYS 111 N -4.56 0.00 -2.63 -1.24 4.76 -1.26 -5.00 118.16 108.23 1cny n LYS 111 Ca -0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1cny n LYS 111 Cb 0.58 -1.94 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 1cny n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cny s LYS 112 N -0.02 4.55 -0.10 1.97 2.20 -0.17 -4.99 119.74 123.18 1cny s LYS 112 Ca 0.00 1.53 -0.03 0.00 -0.36 0.00 0.00 55.97 57.12 1cny s LYS 112 Cb 0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1cny s LYS 112 CO 0.00 -0.05 0.01 0.15 -0.36 0.00 0.00 175.35 175.11 1cny s LYS 113 N 0.74 3.14 0.33 4.03 1.02 -1.26 -1.65 119.74 126.10 1cny s LYS 113 Ca 0.53 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1cny s LYS 113 Cb -0.24 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1cny s LYS 113 CO 0.29 0.64 0.47 0.71 -0.92 0.00 0.00 175.35 176.55 1cny s TYR 114 N -0.71 3.17 -0.01 3.18 2.02 -1.26 -4.65 117.35 119.09 1cny s TYR 114 Ca 0.11 -0.15 0.32 0.00 -0.37 0.00 0.00 57.07 56.98 1cny s TYR 114 Cb -0.12 -1.97 1.26 0.00 -0.40 0.00 0.00 41.96 40.74 1cny s TYR 114 CO 0.02 0.02 1.93 0.00 -1.57 0.00 0.00 175.55 175.95 1cny h ALA 115 N 0.88 1.00 -2.69 3.71 0.00 -1.42 0.14 119.26 120.89 1cny h ALA 115 Ca -0.47 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1cny h ALA 115 Cb 1.25 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1cny h ALA 115 CO 0.54 0.00 0.35 0.00 0.00 0.00 0.00 179.25 180.14 1cny s ALA 116 N -3.60 -1.48 -0.14 0.00 0.00 -1.15 -3.01 121.76 112.39 1cny s ALA 116 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 1cny s ALA 116 Cb 0.09 0.74 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1cny s ALA 116 CO 0.53 -0.98 0.28 -2.00 0.00 0.00 0.00 175.76 173.59 1cny s GLU 117 N -3.59 0.17 -0.17 0.00 2.12 0.94 -1.82 118.70 116.35 1cny s GLU 117 Ca 0.10 0.78 -0.21 0.00 0.36 0.00 0.00 54.97 56.00 1cny s GLU 117 Cb -0.03 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 1cny s GLU 117 CO 0.02 -0.28 0.62 -1.17 -0.54 0.00 0.00 175.26 173.91 1cny s LEU 118 N 2.41 4.19 -0.19 2.70 2.96 0.45 -1.69 118.68 129.51 1cny s LEU 118 Ca 0.01 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 1cny s LEU 118 Cb -0.12 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1cny s LEU 118 CO -0.09 -0.21 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.55 1cny s HIS 119 N 1.56 2.82 -0.41 5.38 3.76 -0.39 -1.09 115.29 126.92 1cny s HIS 119 Ca 0.30 -1.75 -0.15 0.00 -0.15 0.00 0.00 55.06 53.31 1cny s HIS 119 Cb -0.16 -1.89 0.02 0.00 1.11 0.00 0.00 32.58 31.66 1cny s HIS 119 CO 0.12 -0.81 0.32 -0.51 -0.85 0.00 0.00 174.74 173.00 1cny s LEU 120 N 1.27 5.06 -0.11 0.89 1.43 -0.48 -1.87 118.68 124.86 1cny s LEU 120 Ca 0.02 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.11 1cny s LEU 120 Cb -0.14 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1cny s LEU 120 CO -0.11 -0.46 0.40 -0.69 0.23 0.00 0.00 176.35 175.71 1cny s VAL 121 N 1.75 5.20 0.06 -1.59 1.01 0.14 -1.85 120.40 125.12 1cny s VAL 121 Ca 0.06 0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1cny s VAL 121 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1cny s VAL 121 CO 0.11 0.39 -0.17 -1.00 0.00 0.00 0.00 175.10 174.43 1cny s HIS 122 N 0.26 1.45 0.03 5.22 3.76 -0.53 -0.31 115.29 125.17 1cny s HIS 122 Ca 0.22 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 1cny s HIS 122 Cb -0.15 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 1cny s HIS 122 CO 0.09 0.09 -0.20 1.67 -0.85 0.00 0.00 174.74 175.53 1cny s TRP 123 N -1.00 1.74 -0.15 1.40 1.48 0.02 -1.12 118.94 121.32 1cny s TRP 123 Ca 0.03 -0.36 -0.29 0.00 -1.06 0.00 0.00 56.10 54.42 1cny s TRP 123 Cb -0.09 -1.05 -0.05 0.00 -1.16 0.00 0.00 33.47 31.12 1cny s TRP 123 CO 0.02 0.06 1.89 1.21 -4.06 0.00 0.00 176.95 176.07 1cny s ASN 124 N -1.02 6.13 0.46 -2.66 3.84 0.04 -1.00 114.94 120.74 1cny s ASN 124 Ca 0.07 2.00 0.16 0.00 0.21 0.00 0.00 52.86 55.30 1cny s ASN 124 Cb -0.08 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.15 1cny s ASN 124 CO 0.01 -1.40 2.00 0.71 -2.79 0.00 0.00 177.10 175.63 1cny h THR 125 N 6.28 1.07 -0.12 -5.21 1.35 -1.50 -2.54 112.91 112.25 1cny h THR 125 Ca -0.40 -0.63 0.03 0.00 -0.55 0.00 0.00 66.41 64.86 1cny h THR 125 Cb 1.20 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1cny h THR 125 CO 0.97 0.18 0.25 0.07 -0.25 0.00 0.00 175.52 176.73 1cny h LYS 127 N 0.00 0.00 -0.00 4.72 2.10 -1.91 0.28 116.57 121.76 1cny h LYS 127 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cny h LYS 127 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1cny h LYS 127 CO 0.02 0.00 -0.33 0.66 -2.00 0.00 0.00 179.45 177.80 1cny n TYR 128 N -3.34 0.00 0.00 0.07 4.01 -0.95 -4.99 117.16 111.96 1cny n TYR 128 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1cny n TYR 128 Cb 0.34 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1cny n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cny n GLY 129 N 1.40 2.23 3.46 2.72 0.00 0.09 -4.61 105.19 110.48 1cny n GLY 129 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1cny n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cny s ASP 130 N 0.08 -0.16 0.12 1.61 1.47 -1.26 -5.05 116.67 113.48 1cny s ASP 130 Ca 0.00 -0.62 -0.19 0.00 1.18 0.00 0.00 52.55 52.92 1cny s ASP 130 Cb 0.00 0.53 -0.07 0.00 -0.34 0.00 0.00 42.92 43.05 1cny s ASP 130 CO 0.00 -1.00 1.77 0.15 0.68 0.00 0.00 175.17 176.77 1cny h PHE 131 N 2.32 0.27 -0.82 2.11 3.57 -1.94 -2.73 116.94 119.72 1cny h PHE 131 Ca -0.30 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.37 1cny h PHE 131 Cb 1.25 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.80 1cny h PHE 131 CO 0.37 0.18 0.37 0.78 -2.23 0.00 0.00 178.31 177.78 1cny h GLY 132 N 0.28 1.32 2.00 2.40 0.00 -1.97 -1.56 103.07 105.53 1cny h GLY 132 Ca 0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1cny h GLY 132 CO -0.02 -0.11 -0.61 0.50 0.00 0.00 0.00 176.54 176.30 1cny h LYS 133 N 0.50 0.00 -0.19 4.80 1.79 -1.82 -3.28 116.57 118.38 1cny h LYS 133 Ca 0.46 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.84 1cny h LYS 133 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1cny h LYS 133 CO -0.42 0.61 -0.30 0.00 -1.08 0.00 0.00 179.45 178.26 1cny h ALA 134 N 1.39 1.14 0.00 3.86 0.00 -0.99 -2.41 119.26 122.25 1cny h ALA 134 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cny h ALA 134 Cb 1.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1cny h ALA 134 CO 0.08 0.55 0.00 1.33 0.00 0.00 0.00 179.25 181.21 1cny n VAL 135 N -4.10 0.00 0.27 0.00 0.24 -0.81 -1.96 118.33 111.97 1cny n VAL 135 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 1cny n VAL 135 Cb 0.42 -0.19 0.05 0.00 -1.47 0.00 0.00 33.84 32.65 1cny n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cny n GLN 136 N -0.57 0.62 -4.85 7.34 6.02 -0.91 -4.90 117.38 120.13 1cny n GLN 136 Ca 0.03 -1.15 -0.32 0.00 -0.01 0.00 0.00 57.00 55.55 1cny n GLN 136 Cb 0.01 -1.17 -0.13 0.00 1.02 0.00 0.00 30.24 29.98 1cny n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cny s GLN 137 N -0.74 2.39 0.46 -1.09 -1.52 -0.83 -5.02 119.66 113.30 1cny s GLN 137 Ca 0.11 -0.77 0.31 0.00 -1.95 0.00 0.00 55.36 53.06 1cny s GLN 137 Cb 0.07 -2.32 1.44 0.00 -0.22 0.00 0.00 33.01 31.98 1cny s GLN 137 CO 0.11 0.60 1.93 -1.00 -0.25 0.00 0.00 175.29 176.68 1cny h PRO 138 N 5.14 0.00 0.00 2.91 0.13 -1.85 -2.19 132.00 136.15 1cny h PRO 138 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cny h PRO 138 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1cny h PRO 138 CO 0.50 0.00 -0.08 -0.40 -0.23 0.00 0.00 178.00 177.79 1cny n ASP 139 N -2.72 2.20 0.06 1.44 5.75 -1.26 -4.35 116.55 117.67 1cny n ASP 139 Ca 0.00 -3.16 -0.12 0.00 -0.01 0.00 0.00 54.79 51.50 1cny n ASP 139 Cb 0.20 -0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 39.79 1cny n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cny h GLY 140 N 0.13 -0.07 -3.32 6.12 0.00 -1.25 -3.43 103.07 101.24 1cny h GLY 140 Ca -0.00 0.05 -0.64 0.00 0.00 0.00 0.00 47.33 46.73 1cny h GLY 140 CO 0.00 -0.05 -0.82 1.08 0.00 0.00 0.00 176.54 176.75 1cny s LEU 141 N -10.21 2.42 -0.08 3.11 1.43 0.10 -0.78 118.68 114.67 1cny s LEU 141 Ca -0.14 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1cny s LEU 141 Cb 0.06 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1cny s LEU 141 CO 0.66 0.11 -0.03 0.00 0.23 0.00 0.00 176.35 177.32 1cny s ALA 142 N -1.62 0.88 -0.15 4.21 0.00 -0.27 -1.50 121.76 123.31 1cny s ALA 142 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1cny s ALA 142 Cb -0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1cny s ALA 142 CO 0.09 -0.38 -0.07 0.08 0.00 0.00 0.00 175.76 175.48 1cny s VAL 143 N 1.74 3.53 -0.33 0.00 1.01 -1.01 -1.45 120.40 123.89 1cny s VAL 143 Ca 0.02 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1cny s VAL 143 Cb -0.13 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1cny s VAL 143 CO -0.05 0.50 0.51 -0.76 0.00 0.00 0.00 175.10 175.30 1cny s LEU 144 N 0.41 4.26 -0.14 3.92 1.43 -0.77 -1.60 118.68 126.19 1cny s LEU 144 Ca -0.06 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1cny s LEU 144 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1cny s LEU 144 CO 0.04 -0.43 0.05 -0.83 0.23 0.00 0.00 176.35 175.41 1cny s GLY 145 N 1.71 1.92 -0.09 -3.19 0.00 0.47 -1.38 107.32 106.76 1cny s GLY 145 Ca 0.19 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 1cny s GLY 145 CO 0.12 -0.22 -0.06 -0.42 0.00 0.00 0.00 173.10 172.53 1cny s ILE 146 N -0.25 0.84 0.28 0.90 1.01 -0.25 -0.99 121.20 122.74 1cny s ILE 146 Ca 0.08 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 1cny s ILE 146 Cb -0.12 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.38 1cny s ILE 146 CO 0.02 0.33 0.88 -0.36 0.00 0.00 0.00 174.94 175.80 1cny s PHE 147 N 1.52 3.72 -0.02 3.97 0.08 -1.26 -0.41 117.98 125.58 1cny s PHE 147 Ca 0.00 1.69 0.07 0.00 0.12 0.00 0.00 56.93 58.81 1cny s PHE 147 Cb -0.13 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1cny s PHE 147 CO -0.05 0.28 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.62 1cny s LEU 148 N -1.91 2.04 0.13 -0.37 1.02 -0.76 -0.08 118.68 118.76 1cny s LEU 148 Ca 0.47 -0.42 0.07 0.00 0.02 0.00 0.00 54.13 54.27 1cny s LEU 148 Cb -0.19 -1.18 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 1cny s LEU 148 CO 0.24 0.26 -0.15 -1.59 0.02 0.00 0.00 176.35 175.13 1cny s LYS 149 N -0.44 1.09 -0.10 1.70 -2.85 -0.47 -2.06 119.74 116.61 1cny s LYS 149 Ca 0.06 -1.28 -0.24 0.00 -1.00 0.00 0.00 55.97 53.52 1cny s LYS 149 Cb -0.10 -1.04 -0.03 0.00 -2.06 0.00 0.00 37.83 34.61 1cny s LYS 149 CO -0.00 0.20 0.72 0.08 0.10 0.00 0.00 175.35 176.46 1cny s VAL 150 N -2.07 5.01 0.00 1.79 1.01 -1.26 -1.40 120.40 123.47 1cny s VAL 150 Ca 0.11 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1cny s VAL 150 Cb -0.05 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1cny s VAL 150 CO 0.04 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1cny n GLY 151 N 3.27 1.66 3.80 4.51 0.00 0.30 -4.90 105.19 113.83 1cny n GLY 151 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1cny n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cny s SER 152 N 2.00 7.16 0.71 1.61 0.01 -1.26 -4.00 113.70 119.94 1cny s SER 152 Ca 0.00 1.78 -0.16 0.00 1.31 0.00 0.00 55.95 58.87 1cny s SER 152 Cb 0.00 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1cny s SER 152 CO 0.00 -0.20 1.27 0.00 0.41 0.00 0.00 173.24 174.72 1cny n ALA 153 N 0.04 0.75 -3.38 1.44 0.00 -1.26 -2.65 120.51 115.45 1cny n ALA 153 Ca 0.04 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1cny n ALA 153 Cb 0.52 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.55 1cny n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cny s LYS 154 N -3.65 2.49 0.20 0.00 2.47 -1.26 -4.77 119.74 115.23 1cny s LYS 154 Ca 0.80 -1.38 -0.12 0.00 -1.56 0.00 0.00 55.97 53.71 1cny s LYS 154 Cb -0.35 -3.55 0.24 0.00 -1.46 0.00 0.00 37.83 32.72 1cny s LYS 154 CO 0.44 -0.82 1.68 -1.35 0.16 0.00 0.00 175.35 175.46 1cny h PRO 155 N 8.23 0.14 -0.00 4.03 0.11 -1.92 -1.39 132.00 141.19 1cny h PRO 155 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1cny h PRO 155 Cb 1.07 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1cny h PRO 155 CO 0.66 0.09 0.02 0.78 -0.21 0.00 0.00 178.00 179.34 1cny h GLY 156 N 0.14 0.00 0.51 -0.55 0.00 -1.94 -2.94 103.07 98.29 1cny h GLY 156 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1cny h GLY 156 CO -0.45 0.00 -0.98 -0.10 0.00 0.00 0.00 176.54 175.01 1cny n LEU 157 N -3.14 0.65 -0.34 3.11 7.94 -0.53 -4.52 117.00 120.17 1cny n LEU 157 Ca -0.03 -0.11 -0.03 0.00 -1.11 0.00 0.00 56.01 54.73 1cny n LEU 157 Cb 0.09 -0.10 0.09 0.00 0.53 0.00 0.00 43.42 44.04 1cny n LEU 157 CO 0.20 0.10 1.26 -0.61 -1.11 0.00 0.00 177.39 177.22 1cny h GLN 158 N 0.00 1.21 -0.53 1.96 5.75 -1.50 -2.43 115.11 119.57 1cny h GLN 158 Ca 0.00 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1cny h GLN 158 Cb 0.66 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1cny h GLN 158 CO 0.00 0.80 0.36 0.87 -2.65 0.00 0.00 178.83 178.21 1cny h LYS 159 N 1.24 0.38 -0.19 1.69 1.57 -1.80 -1.15 116.57 118.31 1cny h LYS 159 Ca 0.33 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 1cny h LYS 159 Cb -0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1cny h LYS 159 CO -0.07 0.25 -0.25 0.28 -0.57 0.00 0.00 179.45 179.09 1cny h VAL 160 N 0.39 1.33 -0.67 0.50 2.07 -1.75 -3.19 116.25 114.93 1cny h VAL 160 Ca 0.24 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1cny h VAL 160 Cb 0.43 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1cny h VAL 160 CO -0.06 0.44 0.42 0.58 0.02 0.00 0.00 177.57 178.97 1cny h VAL 161 N 0.18 1.19 0.00 2.57 2.07 -1.08 -2.93 116.25 118.25 1cny h VAL 161 Ca 0.02 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1cny h VAL 161 Cb 0.82 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1cny h VAL 161 CO 0.06 0.19 -0.35 0.44 0.02 0.00 0.00 177.57 177.93 1cny h ASP 162 N 0.92 0.00 1.18 0.57 3.32 -1.30 -2.92 116.42 118.18 1cny h ASP 162 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1cny h ASP 162 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1cny h ASP 162 CO -0.05 0.35 -0.29 0.55 -1.72 0.00 0.00 179.24 178.08 1cny n VAL 163 N -3.69 0.47 0.17 -1.35 3.14 -1.12 -4.04 118.33 111.91 1cny n VAL 163 Ca -0.01 -0.27 0.18 0.00 -2.96 0.00 0.00 64.34 61.28 1cny n VAL 163 Cb 0.45 -0.36 0.80 0.00 -1.06 0.00 0.00 33.84 33.67 1cny n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cny h LEU 164 N 0.00 0.00 -1.30 6.55 3.38 -1.38 -1.99 115.31 120.57 1cny h LEU 164 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1cny h LEU 164 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1cny h LEU 164 CO 0.00 0.00 0.08 0.44 0.09 0.00 0.00 178.44 179.05 1cny h ASP 165 N 0.00 0.51 0.92 -0.43 3.32 -1.79 -2.72 116.42 116.22 1cny h ASP 165 Ca 0.12 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1cny h ASP 165 Cb 0.66 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1cny h ASP 165 CO -0.00 0.52 -0.16 0.28 -1.72 0.00 0.00 179.24 178.17 1cny h SER 166 N 0.54 0.00 -0.94 6.45 0.02 -1.66 -3.30 113.55 114.66 1cny h SER 166 Ca 0.12 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.62 1cny h SER 166 Cb 0.23 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.36 1cny h SER 166 CO -0.00 0.16 -0.93 2.30 -1.14 0.00 0.00 176.83 177.21 1cny n ILE 167 N -3.33 1.93 -0.08 3.27 -5.35 -1.03 -4.75 119.36 110.02 1cny n ILE 167 Ca 0.00 -3.92 0.05 0.00 -0.27 0.00 0.00 62.75 58.61 1cny n ILE 167 Cb 0.38 -0.31 0.39 0.00 -1.74 0.00 0.00 39.64 38.36 1cny n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cny h LYS 168 N 2.54 0.64 -6.08 6.28 3.64 -1.63 -3.42 116.57 118.53 1cny h LYS 168 Ca 0.15 -0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.93 1cny h LYS 168 Cb 1.24 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1cny h LYS 168 CO 0.61 0.42 -0.58 0.95 -2.27 0.00 0.00 179.45 178.58 1cny s THR 169 N -5.58 2.93 0.18 1.00 -4.23 -1.26 -0.99 115.64 107.69 1cny s THR 169 Ca -0.09 -1.83 -0.32 0.00 -1.18 0.00 0.00 61.69 58.27 1cny s THR 169 Cb 0.18 -2.89 -0.11 0.00 1.34 0.00 0.00 72.50 71.02 1cny s THR 169 CO 0.75 -0.22 1.67 -0.75 -0.54 0.00 0.00 174.62 175.53 1cny s LYS 170 N -3.77 4.16 0.00 3.99 2.20 -0.50 -2.35 119.74 123.48 1cny s LYS 170 Ca 0.36 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 1cny s LYS 170 Cb -0.02 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1cny s LYS 170 CO 0.21 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 1cny n GLY 171 N 3.91 0.83 3.77 5.54 0.00 0.98 -4.56 105.19 115.67 1cny n GLY 171 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1cny n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cny s LYS 172 N -0.78 4.55 0.05 1.61 -0.14 -0.99 -4.91 119.74 119.13 1cny s LYS 172 Ca 0.00 1.14 -0.00 0.00 -1.36 0.00 0.00 55.97 55.75 1cny s LYS 172 Cb 0.00 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 1cny s LYS 172 CO 0.00 0.53 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.55 1cny s SER 173 N -1.00 0.56 -0.03 2.83 1.04 -1.26 -1.34 113.70 114.51 1cny s SER 173 Ca 0.36 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1cny s SER 173 Cb -0.23 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1cny s SER 173 CO 0.26 -0.48 0.10 0.00 0.98 0.00 0.00 173.24 174.09 1cny s ALA 174 N -3.15 -0.23 0.32 5.32 0.00 -0.76 -4.97 121.76 118.30 1cny s ALA 174 Ca 0.01 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1cny s ALA 174 Cb 0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.93 1cny s ALA 174 CO -0.06 -0.09 1.42 -0.25 0.00 0.00 0.00 175.76 176.78 1cny n ASP 175 N 2.63 3.24 -3.01 0.00 8.00 -1.26 -1.61 116.55 124.54 1cny n ASP 175 Ca -0.15 1.19 -0.17 0.00 0.71 0.00 0.00 54.79 56.37 1cny n ASP 175 Cb 0.58 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.14 1cny n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1cny n PHE 176 N 1.00 -1.46 -2.89 1.24 7.35 0.43 -4.75 117.46 118.39 1cny n PHE 176 Ca 0.06 -2.90 -0.23 0.00 -0.76 0.00 0.00 57.45 53.62 1cny n PHE 176 Cb 0.36 0.44 0.02 0.00 0.35 0.00 0.00 39.48 40.64 1cny n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cny s THR 177 N -0.65 3.88 -1.49 -2.13 -4.23 -1.26 -2.69 115.64 107.06 1cny s THR 177 Ca 0.33 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1cny s THR 177 Cb 0.23 -3.45 0.07 0.00 1.34 0.00 0.00 72.50 70.69 1cny s THR 177 CO -0.14 -0.33 1.00 0.59 -0.54 0.00 0.00 174.62 175.20 1cny n ASN 178 N -2.16 -4.86 -4.65 3.99 4.13 -1.26 -4.97 115.26 105.48 1cny n ASN 178 Ca 0.02 -0.74 -0.38 0.00 1.68 0.00 0.00 54.58 55.16 1cny n ASN 178 Cb 0.58 -4.09 -0.09 0.00 -1.54 0.00 0.00 39.78 34.64 1cny n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cny s PHE 179 N -3.33 3.32 -0.37 3.10 5.36 -1.26 -5.03 117.98 119.78 1cny s PHE 179 Ca 0.61 0.41 -0.10 0.00 -0.96 0.00 0.00 56.93 56.90 1cny s PHE 179 Cb -0.30 -2.43 0.04 0.00 -0.34 0.00 0.00 43.02 39.98 1cny s PHE 179 CO 0.81 -0.03 0.18 0.34 -1.46 0.00 0.00 175.22 175.07 1cny s ASP 180 N 1.19 5.61 0.34 6.13 -1.08 -1.26 -4.41 116.67 123.19 1cny s ASP 180 Ca 0.14 -1.10 0.26 0.00 -0.52 0.00 0.00 52.55 51.33 1cny s ASP 180 Cb -0.15 -1.98 1.12 0.00 -1.46 0.00 0.00 42.92 40.46 1cny s ASP 180 CO 0.07 -0.39 1.79 1.55 0.52 0.00 0.00 175.17 178.71 1cny h PRO 181 N 8.37 0.00 -0.27 4.34 0.13 -1.96 -2.86 132.00 139.74 1cny h PRO 181 Ca -0.24 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1cny h PRO 181 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1cny h PRO 181 CO 0.66 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.79 1cny h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 0.18 114.38 116.57 1cny h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cny h ARG 182 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1cny h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1cny n GLY 183 N -1.41 -0.99 0.77 0.04 0.00 -1.08 -2.90 105.19 99.62 1cny n GLY 183 Ca 0.04 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1cny n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cny n LEU 184 N -1.46 2.65 -4.82 0.99 4.77 0.64 -4.37 117.00 115.41 1cny n LEU 184 Ca 0.04 -1.15 -0.36 0.00 -0.03 0.00 0.00 56.01 54.51 1cny n LEU 184 Cb 0.17 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1cny n LEU 184 CO 0.14 0.50 0.41 -0.76 -1.33 0.00 0.00 177.39 176.35 1cny s LEU 185 N -1.42 4.35 0.00 2.23 1.43 -1.14 -4.93 118.68 119.18 1cny s LEU 185 Ca 0.23 1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.59 1cny s LEU 185 Cb 0.16 -3.57 0.23 0.00 0.03 0.00 0.00 46.19 43.04 1cny s LEU 185 CO 0.23 0.04 0.88 -0.81 0.23 0.00 0.00 176.35 176.91 1cny n PRO 186 N 0.74 -2.40 0.11 1.29 -0.04 -1.26 -4.98 135.00 128.46 1cny n PRO 186 Ca -0.02 -1.39 -0.23 0.00 -0.04 0.00 0.00 63.50 61.82 1cny n PRO 186 Cb 0.51 -1.23 -0.15 0.00 -0.04 0.00 0.00 33.50 32.58 1cny n PRO 186 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1cny h GLU 187 N 0.00 0.44 -5.78 0.54 4.81 -1.93 -3.46 114.58 109.21 1cny h GLU 187 Ca -0.32 -0.76 -0.66 0.00 -0.13 0.00 0.00 59.36 57.49 1cny h GLU 187 Cb 0.96 0.28 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 1cny h GLU 187 CO 0.21 1.35 -0.52 0.45 -0.73 0.00 0.00 179.01 179.77 1cny s SER 188 N -7.40 6.08 -0.24 1.04 0.15 -1.26 -5.02 113.70 107.05 1cny s SER 188 Ca -0.10 0.34 0.14 0.00 0.70 0.00 0.00 55.95 57.03 1cny s SER 188 Cb 0.05 -1.89 0.72 0.00 -1.71 0.00 0.00 66.02 63.19 1cny s SER 188 CO 0.90 0.36 1.66 0.18 1.20 0.00 0.00 173.24 177.55 1cny n LEU 189 N 1.71 5.26 -4.77 3.45 4.77 -1.26 -4.67 117.00 121.48 1cny n LEU 189 Ca -0.17 -3.05 -0.41 0.00 -0.03 0.00 0.00 56.01 52.35 1cny n LEU 189 Cb 0.54 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1cny n LEU 189 CO 0.34 0.70 1.05 -1.81 -1.33 0.00 0.00 177.39 176.34 1cny s ASP 190 N -1.23 6.51 0.23 -1.43 1.01 -1.26 -4.76 116.67 115.74 1cny s ASP 190 Ca 0.51 2.85 -0.11 0.00 0.71 0.00 0.00 52.55 56.50 1cny s ASP 190 Cb 0.40 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1cny s ASP 190 CO 0.13 -0.73 0.42 -0.72 0.21 0.00 0.00 175.17 174.48 1cny s TYR 191 N -1.15 0.41 0.05 4.23 -0.85 -1.26 -1.46 117.35 117.32 1cny s TYR 191 Ca 0.52 -0.76 0.09 0.00 -0.52 0.00 0.00 57.07 56.40 1cny s TYR 191 Cb -0.43 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 41.98 1cny s TYR 191 CO 0.57 -0.92 -0.26 -1.58 -1.52 0.00 0.00 175.55 171.85 1cny s TRP 192 N -4.01 2.34 -0.03 -3.49 0.51 0.04 -1.03 118.94 113.27 1cny s TRP 192 Ca 0.22 -0.40 -0.07 0.00 -2.12 0.00 0.00 56.10 53.74 1cny s TRP 192 Cb 0.01 -1.40 0.01 0.00 -0.81 0.00 0.00 33.47 31.28 1cny s TRP 192 CO 0.07 0.14 0.16 -0.08 -0.51 0.00 0.00 176.95 176.73 1cny s THR 193 N -0.82 0.04 0.07 2.01 -1.32 -0.22 -1.12 115.64 114.28 1cny s THR 193 Ca 0.12 -0.32 -0.25 0.00 -1.21 0.00 0.00 61.69 60.03 1cny s THR 193 Cb -0.10 -0.34 0.07 0.00 -1.51 0.00 0.00 72.50 70.62 1cny s THR 193 CO 0.02 -0.18 0.61 -0.72 -2.21 0.00 0.00 174.62 172.14 1cny s TYR 194 N -0.60 -0.55 -0.28 9.09 1.13 -1.12 -1.62 117.35 123.40 1cny s TYR 194 Ca -0.07 0.60 -0.29 0.00 -1.41 0.00 0.00 57.07 55.91 1cny s TYR 194 Cb -0.04 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1cny s TYR 194 CO 0.01 -0.73 1.11 -1.25 -2.51 0.00 0.00 175.55 172.17 1cny s PRO 195 N -2.68 4.12 0.00 -3.49 0.05 -1.26 -0.99 135.00 130.75 1cny s PRO 195 Ca -0.04 1.22 0.00 0.00 0.05 0.00 0.00 61.00 62.23 1cny s PRO 195 Cb -0.01 -3.73 0.00 0.00 0.05 0.00 0.00 34.50 30.82 1cny s PRO 195 CO -0.03 -0.83 0.00 0.41 0.05 0.00 0.00 177.00 176.59 1cny n GLY 196 N 3.74 5.41 1.35 0.56 0.00 0.30 -4.78 105.19 111.77 1cny n GLY 196 Ca 0.12 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1cny n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cny n SER 197 N 0.00 0.55 -4.82 1.61 3.41 -0.94 -2.54 113.62 110.89 1cny n SER 197 Ca 0.00 -1.89 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 1cny n SER 197 Cb 0.00 0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1cny n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cny s LEU 198 N 0.00 3.79 0.00 1.04 1.43 -0.87 -4.76 118.68 119.31 1cny s LEU 198 Ca 0.11 1.71 0.22 0.00 -1.03 0.00 0.00 54.13 55.15 1cny s LEU 198 Cb 0.01 -4.53 0.50 0.00 0.03 0.00 0.00 46.19 42.19 1cny s LEU 198 CO 0.08 -0.58 1.44 0.35 0.23 0.00 0.00 176.35 177.87 1cny n THR 199 N -1.10 0.44 -4.11 5.49 -2.24 -1.26 -4.45 114.28 107.05 1cny n THR 199 Ca 0.07 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1cny n THR 199 Cb 0.54 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 1cny n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cny s THR 200 N -1.56 0.72 0.48 4.28 -4.23 -1.26 -4.74 115.64 109.33 1cny s THR 200 Ca 0.37 -1.31 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1cny s THR 200 Cb 0.21 -0.93 -0.09 0.00 1.34 0.00 0.00 72.50 73.03 1cny s THR 200 CO 0.30 -0.44 0.88 -2.65 -0.54 0.00 0.00 174.62 172.17 1cny n PRO 201 N 1.11 1.04 0.00 3.99 -0.02 -1.26 -1.02 135.00 138.84 1cny n PRO 201 Ca -0.20 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1cny n PRO 201 Cb 0.56 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1cny n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cny n PRO 202 N -0.10 0.93 -3.09 0.52 -0.04 -1.26 -5.00 135.00 126.96 1cny n PRO 202 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1cny n PRO 202 Cb 0.42 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1cny n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cny n LEU 203 N -0.39 -1.60 -4.72 1.53 4.77 -0.19 -4.91 117.00 111.50 1cny n LEU 203 Ca 0.00 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1cny n LEU 203 Cb 0.05 -2.24 -0.03 0.00 -2.33 0.00 0.00 43.42 38.87 1cny n LEU 203 CO 0.00 0.10 1.25 -0.76 -1.33 0.00 0.00 177.39 176.65 1cny s LEU 204 N -6.29 4.37 -1.38 2.23 1.43 -1.26 -4.37 118.68 113.40 1cny s LEU 204 Ca 0.29 2.71 -0.10 0.00 -1.03 0.00 0.00 54.13 56.00 1cny s LEU 204 Cb -0.15 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.56 1cny s LEU 204 CO 0.35 -0.86 2.17 -0.62 0.23 0.00 0.00 176.35 177.63 1cny n GLU 205 N 3.65 3.49 -0.26 1.70 1.02 -1.26 -2.05 120.64 126.93 1cny n GLU 205 Ca 0.13 -3.07 0.04 0.00 -0.02 0.00 0.00 57.16 54.24 1cny n GLU 205 Cb 0.38 -3.00 0.05 0.00 -0.02 0.00 0.00 31.44 28.85 1cny n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cny s VAL 207 N -1.18 4.56 -0.33 0.00 1.01 -1.05 -0.72 120.40 122.68 1cny s VAL 207 Ca 0.12 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1cny s VAL 207 Cb 0.11 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1cny s VAL 207 CO 0.01 0.51 0.48 -0.89 0.00 0.00 0.00 175.10 175.21 1cny s THR 208 N -0.02 5.06 -0.05 3.92 2.01 -0.56 0.11 115.64 126.11 1cny s THR 208 Ca 0.05 0.38 -0.10 0.00 0.31 0.00 0.00 61.69 62.33 1cny s THR 208 Cb -0.12 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1cny s THR 208 CO 0.01 -0.13 0.26 0.26 -0.69 0.00 0.00 174.62 174.33 1cny s TRP 209 N 2.31 3.64 -0.30 4.92 0.52 -0.16 -2.40 118.94 127.46 1cny s TRP 209 Ca 0.18 0.70 -0.01 0.00 0.02 0.00 0.00 56.10 56.99 1cny s TRP 209 Cb -0.16 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.19 1cny s TRP 209 CO 0.12 0.68 0.09 0.42 0.02 0.00 0.00 176.95 178.28 1cny s ILE 210 N -1.11 0.90 -0.36 2.03 1.01 -0.63 -2.81 121.20 120.23 1cny s ILE 210 Ca 0.21 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 1cny s ILE 210 Cb -0.14 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1cny s ILE 210 CO 0.10 -0.65 0.25 -0.69 0.00 0.00 0.00 174.94 173.96 1cny s VAL 211 N 1.61 5.19 0.23 2.92 1.01 -0.28 0.18 120.40 131.26 1cny s VAL 211 Ca 0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1cny s VAL 211 Cb -0.17 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1cny s VAL 211 CO -0.24 -0.12 1.23 -0.76 0.00 0.00 0.00 175.10 175.21 1cny s LEU 212 N 1.69 4.46 0.06 3.92 1.43 -0.16 -0.78 118.68 129.30 1cny s LEU 212 Ca 0.05 2.35 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 1cny s LEU 212 Cb -0.18 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.29 1cny s LEU 212 CO 0.10 -0.40 1.55 0.50 0.23 0.00 0.00 176.35 178.33 1cny h LYS 213 N 4.74 0.19 -5.90 1.70 3.64 -1.58 -3.43 116.57 115.93 1cny h LYS 213 Ca -0.46 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.29 1cny h LYS 213 Cb 1.22 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1cny h LYS 213 CO 0.72 0.36 0.58 -2.00 -2.27 0.00 0.00 179.45 176.85 1cny s GLU 214 N -5.27 4.19 0.33 1.90 2.12 -1.26 -5.03 118.70 115.68 1cny s GLU 214 Ca -0.14 1.05 -0.22 0.00 0.36 0.00 0.00 54.97 56.02 1cny s GLU 214 Cb 0.06 -3.65 -0.10 0.00 0.26 0.00 0.00 34.13 30.70 1cny s GLU 214 CO 0.70 -0.58 0.87 -2.14 -0.54 0.00 0.00 175.26 173.57 1cny s PRO 215 N 2.99 4.34 0.14 4.30 0.02 -1.26 -4.70 135.00 140.83 1cny s PRO 215 Ca 0.38 1.09 -0.07 0.00 0.02 0.00 0.00 61.00 62.42 1cny s PRO 215 Cb -0.15 -2.59 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 1cny s PRO 215 CO 0.08 0.20 0.41 0.96 -0.33 0.00 0.00 177.00 178.31 1cny s ILE 216 N -1.81 5.11 -0.05 2.83 -4.36 0.88 -4.94 121.20 118.88 1cny s ILE 216 Ca 0.53 0.21 -0.02 0.00 -0.26 0.00 0.00 60.65 61.11 1cny s ILE 216 Cb -0.14 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 1cny s ILE 216 CO 0.19 0.09 0.06 -0.94 0.24 0.00 0.00 174.94 174.58 1cny s SER 217 N -2.24 5.58 0.14 4.36 1.04 -1.26 -1.36 113.70 119.96 1cny s SER 217 Ca 0.40 0.17 0.04 0.00 0.48 0.00 0.00 55.95 57.05 1cny s SER 217 Cb -0.12 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 1cny s SER 217 CO 0.22 0.33 -0.10 0.68 0.98 0.00 0.00 173.24 175.35 1cny s VAL 218 N -1.06 1.14 0.53 5.02 -7.23 -0.49 -4.04 120.40 114.26 1cny s VAL 218 Ca 0.18 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1cny s VAL 218 Cb -0.12 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1cny s VAL 218 CO 0.09 -0.75 0.85 -0.94 -0.31 0.00 0.00 175.10 174.03 1cny s SER 219 N -3.16 6.01 0.19 4.85 1.04 -1.16 -0.54 113.70 120.93 1cny s SER 219 Ca 0.16 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.36 1cny s SER 219 Cb 0.03 -2.06 0.20 0.00 0.10 0.00 0.00 66.02 64.29 1cny s SER 219 CO 0.00 -0.78 1.74 -1.28 0.98 0.00 0.00 173.24 173.91 1cny h SER 220 N 0.04 0.17 0.97 7.02 0.87 -1.93 -0.68 113.55 120.00 1cny h SER 220 Ca -0.46 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1cny h SER 220 Cb 1.22 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1cny h SER 220 CO 0.61 0.12 -0.02 1.05 -0.53 0.00 0.00 176.83 178.06 1cny h GLU 221 N 0.36 0.00 -0.02 2.24 9.09 -1.94 -0.74 114.58 123.56 1cny h GLU 221 Ca 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.65 1cny h GLU 221 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1cny h GLU 221 CO -0.27 0.02 -0.06 1.96 0.05 0.00 0.00 179.01 180.71 1cny h GLN 222 N 0.00 0.08 -0.28 1.06 4.20 -1.53 -3.15 115.11 115.49 1cny h GLN 222 Ca -0.00 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1cny h GLN 222 Cb 0.51 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1cny h GLN 222 CO 0.00 0.68 -0.08 0.28 -0.67 0.00 0.00 178.83 179.04 1cny h VAL 223 N -0.50 1.21 -0.95 -0.54 2.07 -1.16 -2.80 116.25 113.58 1cny h VAL 223 Ca -0.00 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 66.75 1cny h VAL 223 Cb 0.68 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1cny h VAL 223 CO 0.01 0.29 0.60 -0.07 0.02 0.00 0.00 177.57 178.43 1cny h LEU 224 N 0.43 0.80 -0.88 2.57 3.38 -1.16 -2.09 115.31 118.36 1cny h LEU 224 Ca 0.09 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1cny h LEU 224 Cb 0.41 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1cny h LEU 224 CO 0.02 0.42 -0.55 0.11 0.09 0.00 0.00 178.44 178.53 1cny h LYS 225 N 0.86 0.02 -0.93 1.13 1.57 -1.45 -2.64 116.57 115.12 1cny h LYS 225 Ca 0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1cny h LYS 225 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1cny h LYS 225 CO -0.24 0.56 0.60 0.74 -0.57 0.00 0.00 179.45 180.54 1cny h PHE 226 N 0.01 1.19 0.00 -1.35 -1.00 -1.45 -2.56 116.94 111.78 1cny h PHE 226 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1cny h PHE 226 Cb 0.98 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1cny h PHE 226 CO 0.00 0.76 0.00 0.54 -1.61 0.00 0.00 178.31 178.01 1cny n ARG 227 N -4.41 0.11 0.00 1.51 1.74 -1.00 -2.57 116.66 112.04 1cny n ARG 227 Ca 0.10 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 1cny n ARG 227 Cb 0.03 -1.69 0.52 0.00 -1.02 0.00 0.00 32.46 30.30 1cny n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cny n LYS 228 N -1.89 1.53 -1.70 5.56 5.02 -0.96 -4.39 118.16 121.33 1cny n LYS 228 Ca 0.04 -0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 55.16 1cny n LYS 228 Cb 0.26 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1cny n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cny s LEU 229 N -2.07 2.72 0.04 -0.35 1.02 -1.06 -4.90 118.68 114.08 1cny s LEU 229 Ca 0.36 1.22 0.09 0.00 0.02 0.00 0.00 54.13 55.82 1cny s LEU 229 Cb 0.21 -3.90 -0.03 0.00 0.02 0.00 0.00 46.19 42.49 1cny s LEU 229 CO 0.36 -1.71 -0.25 0.20 0.02 0.00 0.00 176.35 174.97 1cny s ASN 230 N -4.11 2.98 0.05 2.29 0.02 -0.17 0.16 114.94 116.17 1cny s ASN 230 Ca 0.60 -0.57 -0.13 0.00 -1.02 0.00 0.00 52.86 51.73 1cny s ASN 230 Cb -0.13 -0.27 -0.31 0.00 0.02 0.00 0.00 41.25 40.56 1cny s ASN 230 CO 0.53 0.24 1.07 -0.26 0.02 0.00 0.00 177.10 178.70 1cny h PHE 231 N 4.84 0.93 -4.32 2.20 0.04 -1.39 -3.37 116.94 115.87 1cny h PHE 231 Ca -0.45 -0.63 -0.50 0.00 2.80 0.00 0.00 57.97 59.18 1cny h PHE 231 Cb 1.15 -0.06 0.10 0.00 2.20 0.00 0.00 35.95 39.34 1cny h PHE 231 CO 0.48 1.48 0.36 0.54 -0.60 0.00 0.00 178.31 180.57 1cny s ASN 232 N -7.45 5.08 0.50 2.17 4.22 -1.26 -4.48 114.94 113.72 1cny s ASN 232 Ca -0.08 1.50 -0.02 0.00 -2.14 0.00 0.00 52.86 52.11 1cny s ASN 232 Cb 0.05 -2.33 -0.00 0.00 1.28 0.00 0.00 41.25 40.25 1cny s ASN 232 CO 0.93 -1.62 0.76 -0.83 -2.04 0.00 0.00 177.10 174.30 1cny s GLY 233 N -3.85 1.57 0.31 0.45 0.00 -1.26 -1.40 107.32 103.15 1cny s GLY 233 Ca 0.59 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 1cny s GLY 233 CO 0.55 -0.68 1.38 -2.21 0.00 0.00 0.00 173.10 172.14 1cny n GLU 234 N -2.27 2.24 -0.96 2.90 2.13 -1.26 -2.56 120.64 120.86 1cny n GLU 234 Ca 0.02 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1cny n GLU 234 Cb 0.57 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1cny n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cny n GLY 235 N 1.27 0.43 3.53 8.31 0.00 -1.26 -5.04 105.19 112.43 1cny n GLY 235 Ca 0.07 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1cny n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cny s GLU 236 N -1.54 1.79 0.34 1.61 2.02 -1.06 -5.10 118.70 116.76 1cny s GLU 236 Ca 0.00 -1.95 -0.29 0.00 0.02 0.00 0.00 54.97 52.75 1cny s GLU 236 Cb 0.00 -1.52 -0.11 0.00 0.10 0.00 0.00 34.13 32.60 1cny s GLU 236 CO 0.00 0.05 1.54 -2.30 0.02 0.00 0.00 175.26 174.57 1cny n PRO 237 N -0.79 2.72 -2.62 0.39 -0.02 -1.26 -4.92 135.00 128.50 1cny n PRO 237 Ca -0.05 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1cny n PRO 237 Cb 0.65 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1cny n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cny s GLU 238 N -1.43 4.51 -0.22 -0.52 2.12 -1.26 -4.75 118.70 117.15 1cny s GLU 238 Ca 0.58 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 57.40 1cny s GLU 238 Cb -0.48 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.54 1cny s GLU 238 CO 0.57 -0.14 0.05 -2.00 -0.54 0.00 0.00 175.26 173.21 1cny s GLU 239 N 1.13 0.63 0.27 4.30 2.12 -1.26 -5.07 118.70 120.81 1cny s GLU 239 Ca 0.54 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 1cny s GLU 239 Cb -0.23 -2.03 -0.10 0.00 0.26 0.00 0.00 34.13 32.03 1cny s GLU 239 CO 0.27 -0.72 1.38 -0.51 -0.54 0.00 0.00 175.26 175.15 1cny s LEU 240 N 1.84 4.40 -1.00 2.70 1.43 -1.26 -1.11 118.68 125.68 1cny s LEU 240 Ca 0.01 2.64 -0.23 0.00 -1.03 0.00 0.00 54.13 55.52 1cny s LEU 240 Cb -0.17 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1cny s LEU 240 CO -0.13 -0.63 1.65 -0.32 0.23 0.00 0.00 176.35 177.15 1cny s MET 241 N -0.77 3.22 0.07 1.70 -2.45 0.12 -4.71 119.30 116.48 1cny s MET 241 Ca 0.56 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1cny s MET 241 Cb -0.41 -5.26 -0.04 0.00 1.25 0.00 0.00 34.83 30.38 1cny s MET 241 CO 0.46 -2.67 -0.05 0.14 1.05 0.00 0.00 175.02 173.95 1cny s VAL 242 N 6.89 0.50 -1.38 10.11 -7.23 -1.26 -4.48 120.40 123.55 1cny s VAL 242 Ca 0.55 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1cny s VAL 242 Cb -0.02 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1cny s VAL 242 CO -0.05 -0.84 0.68 0.47 -0.31 0.00 0.00 175.10 175.05 1cny n ASP 243 N 0.27 -1.62 -2.62 4.85 8.00 -0.76 -4.88 116.55 119.79 1cny n ASP 243 Ca -0.15 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.18 1cny n ASP 243 Cb 0.60 -3.75 -0.02 0.00 -0.02 0.00 0.00 41.12 37.92 1cny n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cny n ASN 244 N -2.99 6.83 -4.30 -2.24 6.94 -1.15 -4.89 115.26 113.45 1cny n ASN 244 Ca -0.23 -3.42 -0.20 0.00 -0.02 0.00 0.00 54.58 50.71 1cny n ASN 244 Cb 0.65 -1.17 -0.11 0.00 -2.36 0.00 0.00 39.78 36.78 1cny n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cny s TRP 245 N -2.51 1.67 -0.14 -2.53 1.48 -1.26 -4.64 118.94 111.01 1cny s TRP 245 Ca 0.56 -0.51 -0.06 0.00 -1.06 0.00 0.00 56.10 55.04 1cny s TRP 245 Cb 0.40 -0.84 -0.04 0.00 -1.16 0.00 0.00 33.47 31.83 1cny s TRP 245 CO -0.28 0.27 0.06 0.50 -4.06 0.00 0.00 176.95 173.43 1cny s ARG 246 N -2.82 3.59 0.83 3.25 3.52 -1.26 -5.00 118.95 121.06 1cny s ARG 246 Ca 0.14 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.29 1cny s ARG 246 Cb -0.05 -3.09 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1cny s ARG 246 CO 0.05 0.50 0.90 -2.30 -0.81 0.00 0.00 175.30 173.64 1cny n PRO 247 N 2.82 0.05 -1.88 5.12 -0.02 -1.26 -4.70 135.00 135.13 1cny n PRO 247 Ca -0.18 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 1cny n PRO 247 Cb 0.53 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1cny n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cny s ALA 248 N -2.18 3.57 0.27 3.55 0.00 -1.26 -4.44 121.76 121.28 1cny s ALA 248 Ca 0.68 1.49 0.07 0.00 0.00 0.00 0.00 51.96 54.21 1cny s ALA 248 Cb -0.28 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1cny s ALA 248 CO 0.56 -0.94 0.21 -0.65 0.00 0.00 0.00 175.76 174.93 1cny s GLN 249 N -1.83 2.83 0.25 0.00 -1.52 0.16 -4.94 119.66 114.61 1cny s GLN 249 Ca 0.53 -1.14 -0.31 0.00 -1.95 0.00 0.00 55.36 52.49 1cny s GLN 249 Cb -0.45 -2.51 -0.12 0.00 -0.22 0.00 0.00 33.01 29.72 1cny s GLN 249 CO 0.59 0.32 1.64 -2.14 -0.25 0.00 0.00 175.29 175.45 1cny s PRO 250 N -3.87 4.13 0.12 2.91 0.02 -1.26 -4.49 135.00 132.56 1cny s PRO 250 Ca 0.35 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.82 1cny s PRO 250 Cb -0.07 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.30 1cny s PRO 250 CO 0.25 -0.68 1.39 1.25 -0.33 0.00 0.00 177.00 178.88 1cny h LEU 251 N 5.68 0.95 -2.91 -5.54 5.85 -1.95 -3.44 115.31 113.95 1cny h LEU 251 Ca -0.45 -0.54 -0.36 0.00 0.84 0.00 0.00 57.88 57.37 1cny h LEU 251 Cb 1.21 -0.27 0.13 0.00 0.37 0.00 0.00 40.66 42.10 1cny h LEU 251 CO 0.86 1.31 -0.91 0.29 -0.34 0.00 0.00 178.44 179.65 1cny n LYS 252 N -4.04 -1.63 -0.02 1.25 5.02 -1.26 -3.23 118.16 114.25 1cny n LYS 252 Ca -0.05 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1cny n LYS 252 Cb 0.62 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 1cny n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1cny n ASN 253 N -2.89 0.00 -4.72 4.39 4.05 -1.26 -5.00 115.26 109.83 1cny n ASN 253 Ca -0.08 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.62 1cny n ASN 253 Cb 0.60 -0.35 0.10 0.00 1.23 0.00 0.00 39.78 41.36 1cny n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1cny s ARG 254 N -0.00 2.00 -0.06 1.20 0.52 -1.20 -5.03 118.95 116.38 1cny s ARG 254 Ca 0.00 1.64 0.05 0.00 -0.52 0.00 0.00 55.73 56.90 1cny s ARG 254 Cb 0.00 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1cny s ARG 254 CO 0.00 -1.92 -0.22 -1.14 0.02 0.00 0.00 175.30 172.04 1cny s GLN 255 N -4.15 2.53 -0.28 3.54 0.74 -1.26 -5.02 119.66 115.77 1cny s GLN 255 Ca 0.71 -0.86 -0.13 0.00 0.05 0.00 0.00 55.36 55.13 1cny s GLN 255 Cb -0.26 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.59 1cny s GLN 255 CO 0.48 0.44 0.29 0.42 -0.55 0.00 0.00 175.29 176.37 1cny s ILE 256 N -0.30 5.24 0.01 -2.34 1.01 -1.26 -4.66 121.20 118.90 1cny s ILE 256 Ca 0.01 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1cny s ILE 256 Cb -0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1cny s ILE 256 CO 0.02 0.19 0.14 -0.54 0.00 0.00 0.00 174.94 174.75 1cny s LYS 257 N 1.92 3.25 0.04 2.79 1.02 -0.64 -0.53 119.74 127.58 1cny s LYS 257 Ca 0.11 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.72 1cny s LYS 257 Cb -0.16 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1cny s LYS 257 CO 0.11 0.65 -0.07 0.00 -0.92 0.00 0.00 175.35 175.11 1cny s ALA 258 N -1.30 3.03 -2.21 5.17 0.00 0.14 -1.05 121.76 125.53 1cny s ALA 258 Ca 0.27 -1.08 0.28 0.00 0.00 0.00 0.00 51.96 51.42 1cny s ALA 258 Cb -0.12 -1.08 1.00 0.00 0.00 0.00 0.00 23.12 22.91 1cny s ALA 258 CO 0.18 0.63 1.71 -1.13 0.00 0.00 0.00 175.76 177.15 1cny n SER 259 N 1.26 1.26 0.00 0.00 3.41 -0.19 -1.59 113.62 117.77 1cny n SER 259 Ca -0.14 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1cny n SER 259 Cb 0.52 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1cny n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10