#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csh s SER 2 N 0.00 -0.21 0.04 1.61 1.04 -1.26 -5.19 113.70 109.73 2csh s SER 2 Ca 0.00 -0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.01 2csh s SER 2 Cb 0.00 0.34 0.09 0.00 0.10 0.00 0.00 66.02 66.55 2csh s SER 2 CO 0.00 -0.59 1.22 -0.94 0.98 0.00 0.00 173.24 173.91 2csh s SER 3 N -2.67 -0.01 0.27 7.02 1.04 -1.26 -5.20 113.70 112.90 2csh s SER 3 Ca 0.10 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 2csh s SER 3 Cb -0.00 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.42 2csh s SER 3 CO -0.04 -0.48 0.89 -0.83 0.98 0.00 0.00 173.24 173.76 2csh s GLY 4 N -3.53 0.13 0.31 7.32 0.00 -1.26 -5.19 107.32 105.10 2csh s GLY 4 Ca 0.24 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.48 2csh s GLY 4 CO 0.00 0.66 0.48 -0.56 0.00 0.00 0.00 173.10 173.68 2csh s SER 5 N -3.14 0.49 0.33 1.64 0.01 -1.26 -5.19 113.70 106.59 2csh s SER 5 Ca 0.16 -1.29 -0.09 0.00 1.31 0.00 0.00 55.95 56.05 2csh s SER 5 Cb -0.04 0.64 0.02 0.00 0.21 0.00 0.00 66.02 66.85 2csh s SER 5 CO 0.07 -1.25 0.58 -0.55 0.41 0.00 0.00 173.24 172.50 2csh s SER 6 N -3.15 0.39 0.00 2.44 0.15 -1.26 -5.17 113.70 107.10 2csh s SER 6 Ca 0.27 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2csh s SER 6 Cb -0.00 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2csh s SER 6 CO 0.16 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.83 2csh n GLY 7 N -0.51 4.69 3.72 9.45 0.00 -1.26 -5.17 105.19 116.11 2csh n GLY 7 Ca -0.02 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2csh n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2csh s ASP 8 N 0.00 4.07 0.02 1.61 1.11 -1.26 -5.16 116.67 117.06 2csh s ASP 8 Ca 0.00 -1.56 -0.27 0.00 0.18 0.00 0.00 52.55 50.90 2csh s ASP 8 Cb 0.00 0.24 0.09 0.00 1.07 0.00 0.00 42.92 44.32 2csh s ASP 8 CO 0.00 -0.74 0.76 -1.59 1.18 0.00 0.00 175.17 174.78 2csh s LYS 9 N -3.84 1.00 0.27 8.23 -2.85 -1.26 -5.19 119.74 116.10 2csh s LYS 9 Ca 0.15 -0.18 0.06 0.00 -1.00 0.00 0.00 55.97 55.00 2csh s LYS 9 Cb 0.04 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 2csh s LYS 9 CO 0.08 -0.40 0.23 1.28 0.10 0.00 0.00 175.35 176.64 2csh n LEU 10 N 0.08 0.00 -3.77 2.77 4.77 -1.26 -4.88 117.00 114.72 2csh n LEU 10 Ca -0.14 -2.56 -0.29 0.00 -0.03 0.00 0.00 56.01 52.99 2csh n LEU 10 Cb 0.61 1.35 -0.15 0.00 -2.33 0.00 0.00 43.42 42.90 2csh n LEU 10 CO 0.15 -0.43 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.12 2csh s TYR 11 N -3.09 1.72 0.36 -1.77 1.51 0.24 -4.94 117.35 111.38 2csh s TYR 11 Ca 0.32 -1.61 -0.27 0.00 -1.01 0.00 0.00 57.07 54.50 2csh s TYR 11 Cb 0.02 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 40.17 2csh s TYR 11 CO 0.23 -0.82 1.21 -1.25 -1.11 0.00 0.00 175.55 173.81 2csh s PRO 12 N 1.61 4.23 0.31 -1.71 0.04 -1.26 -0.11 135.00 138.11 2csh s PRO 12 Ca 0.06 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2csh s PRO 12 Cb -0.17 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 2csh s PRO 12 CO -0.19 -0.20 0.31 0.00 0.04 0.00 0.00 177.00 176.96 2csh h GLN 14 N 1.23 0.23 -0.41 0.00 4.15 -1.90 0.14 115.11 118.55 2csh h GLN 14 Ca -0.47 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 58.99 2csh h GLN 14 Cb 1.25 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2csh h GLN 14 CO 0.58 0.15 0.27 0.00 -1.93 0.00 0.00 178.83 177.91 2csh n GLY 16 N -1.52 1.60 1.70 0.00 0.00 0.47 -5.13 105.19 102.31 2csh n GLY 16 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2csh n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2csh n LYS 17 N 0.00 -3.54 -3.67 1.61 5.02 -1.26 -4.48 118.16 111.84 2csh n LYS 17 Ca 0.00 -0.78 -0.08 0.00 -2.02 0.00 0.00 58.31 55.43 2csh n LYS 17 Cb 0.00 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 2csh n LYS 17 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2csh s SER 18 N -2.59 -0.65 0.29 4.39 0.01 -1.26 -0.15 113.70 113.73 2csh s SER 18 Ca 0.36 1.15 0.09 0.00 1.31 0.00 0.00 55.95 58.86 2csh s SER 18 Cb -0.06 1.21 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 2csh s SER 18 CO 0.30 -0.22 0.10 -0.36 0.41 0.00 0.00 173.24 173.47 2csh s PHE 19 N 1.85 2.79 0.24 2.43 0.40 0.84 -4.81 117.98 121.72 2csh s PHE 19 Ca -0.08 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2csh s PHE 19 Cb -0.08 -1.40 0.25 0.00 0.51 0.00 0.00 43.02 42.29 2csh s PHE 19 CO -0.15 0.49 1.55 1.15 0.70 0.00 0.00 175.22 178.96 2csh h THR 20 N 1.67 1.41 -1.97 0.64 2.02 -1.89 0.69 112.91 115.47 2csh h THR 20 Ca -0.45 -2.06 -0.58 0.00 0.77 0.00 0.00 66.41 64.08 2csh h THR 20 Cb 1.25 2.07 -0.11 0.00 -1.74 0.00 0.00 68.15 69.62 2csh h THR 20 CO 0.61 0.60 -0.63 -1.00 0.37 0.00 0.00 175.52 175.48 2csh s HIS 21 N -3.68 2.54 0.07 3.16 3.76 -1.26 -4.63 115.29 115.24 2csh s HIS 21 Ca -0.03 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2csh s HIS 21 Cb 0.12 -1.42 -0.28 0.00 1.11 0.00 0.00 32.58 32.11 2csh s HIS 21 CO 0.79 0.51 1.13 1.57 -0.85 0.00 0.00 174.74 177.89 2csh h LYS 22 N 1.85 0.34 -0.29 1.40 -0.00 -1.95 -3.08 116.57 114.85 2csh h LYS 22 Ca -0.43 -0.56 -0.06 0.00 -0.00 0.00 0.00 60.65 59.61 2csh h LYS 22 Cb 1.25 0.20 -0.02 0.00 -0.00 0.00 0.00 32.23 33.67 2csh h LYS 22 CO 0.66 1.26 -0.08 0.66 -0.00 0.00 0.00 179.45 181.94 2csh h SER 23 N 0.11 0.45 0.76 7.07 4.64 -1.99 0.18 113.55 124.76 2csh h SER 23 Ca -0.15 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 2csh h SER 23 Cb 1.97 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.92 2csh h SER 23 CO 0.21 0.58 -0.70 1.56 -0.87 0.00 0.00 176.83 177.61 2csh h GLN 24 N 0.44 0.00 0.03 4.77 1.08 -1.99 -2.93 115.11 116.52 2csh h GLN 24 Ca 0.09 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.03 2csh h GLN 24 Cb 0.42 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2csh h GLN 24 CO 0.02 0.70 -1.32 -0.09 -0.95 0.00 0.00 178.83 177.19 2csh h ARG 25 N 0.00 0.06 0.21 1.46 1.12 -1.34 -3.35 114.38 112.55 2csh h ARG 25 Ca -0.01 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 2csh h ARG 25 Cb 1.26 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.27 2csh h ARG 25 CO 0.09 0.89 -0.10 0.22 -3.11 0.00 0.00 179.97 177.96 2csh h ASP 26 N 0.02 -0.24 -1.01 -3.80 1.82 -0.66 -2.30 116.42 110.26 2csh h ASP 26 Ca -0.14 -0.16 0.29 0.00 -0.39 0.00 0.00 57.03 56.63 2csh h ASP 26 Cb 1.90 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.93 2csh h ASP 26 CO 0.13 0.03 0.76 0.08 -1.61 0.00 0.00 179.24 178.63 2csh h ARG 27 N -0.52 0.00 0.00 0.28 0.11 -1.66 1.12 114.38 113.71 2csh h ARG 27 Ca -0.03 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2csh h ARG 27 Cb 0.39 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 2csh h ARG 27 CO 0.05 0.00 -0.70 1.25 0.10 0.00 0.00 179.97 180.67 2csh h HIS 28 N 0.00 0.00 0.18 4.08 2.76 -1.61 -3.06 115.15 117.50 2csh h HIS 28 Ca 0.48 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.33 2csh h HIS 28 Cb 2.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.97 2csh h HIS 28 CO 0.00 0.44 -1.47 0.52 -1.30 0.00 0.00 177.93 176.13 2csh h MET 29 N 0.00 0.37 -0.15 5.26 2.86 0.17 -3.16 114.93 120.29 2csh h MET 29 Ca -0.04 -0.63 -0.13 0.00 -2.06 0.00 0.00 59.70 56.84 2csh h MET 29 Cb 1.37 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2csh h MET 29 CO 0.05 1.28 -0.46 0.77 1.06 0.00 0.00 176.91 179.61 2csh h SER 30 N 0.10 0.39 0.35 1.22 0.02 -0.95 -2.93 113.55 111.75 2csh h SER 30 Ca -0.23 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 2csh h SER 30 Cb 2.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.48 2csh h SER 30 CO 0.21 0.80 -0.46 0.00 -1.14 0.00 0.00 176.83 176.24 2csh h MET 31 N 0.30 0.15 -0.65 3.45 3.00 -1.63 -3.08 114.93 116.46 2csh h MET 31 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 59.70 59.71 2csh h MET 31 Cb 0.93 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 32.47 2csh h MET 31 CO 0.08 0.58 0.33 0.45 0.00 0.00 0.00 176.91 178.35 2csh h HIS 32 N 0.12 0.61 -2.50 -0.10 3.86 -1.47 -3.38 115.15 112.29 2csh h HIS 32 Ca 0.01 0.03 -0.54 0.00 -1.16 0.00 0.00 60.37 58.70 2csh h HIS 32 Cb 0.87 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 2csh h HIS 32 CO 0.01 0.26 1.25 -0.51 0.86 0.00 0.00 177.93 179.80 2csh s LEU 33 N -10.29 3.41 0.00 2.43 1.43 -1.17 -4.76 118.68 109.73 2csh s LEU 33 Ca -0.13 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2csh s LEU 33 Cb 0.16 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.33 2csh s LEU 33 CO 0.75 -1.94 0.00 0.61 0.23 0.00 0.00 176.35 176.01 2csh n GLY 34 N 5.46 3.54 0.00 -3.19 0.00 -1.26 -4.98 105.19 104.77 2csh n GLY 34 Ca 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2csh n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2csh n LEU 35 N 0.00 0.00 -3.85 0.99 4.77 -1.26 -4.79 117.00 112.85 2csh n LEU 35 Ca 0.00 0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2csh n LEU 35 Cb 0.00 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 2csh n LEU 35 CO 0.00 -0.23 -0.36 -0.13 -1.33 0.00 0.00 177.39 175.34 2csh s ARG 36 N -1.92 0.03 0.48 3.23 3.00 -1.26 -4.86 118.95 117.64 2csh s ARG 36 Ca 0.00 0.03 0.27 0.00 0.00 0.00 0.00 55.73 56.03 2csh s ARG 36 Cb 0.00 -0.09 1.13 0.00 0.00 0.00 0.00 34.95 35.99 2csh s ARG 36 CO 0.00 -0.03 1.91 -1.00 0.00 0.00 0.00 175.30 176.18 2csh h PRO 37 N 6.40 0.00 -6.22 3.54 0.13 -1.81 -3.45 132.00 130.59 2csh h PRO 37 Ca -0.29 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.36 2csh h PRO 37 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2csh h PRO 37 CO 0.50 0.16 -0.45 0.71 -0.23 0.00 0.00 178.00 178.70 2csh s TYR 38 N -3.76 3.18 -0.28 1.56 1.51 -1.21 -5.06 117.35 113.30 2csh s TYR 38 Ca -0.00 -0.14 -0.22 0.00 -1.01 0.00 0.00 57.07 55.70 2csh s TYR 38 Cb 0.11 -1.64 0.10 0.00 -0.11 0.00 0.00 41.96 40.42 2csh s TYR 38 CO 0.60 0.34 0.85 0.20 -1.11 0.00 0.00 175.55 176.43 2csh s GLY 39 N -3.98 -0.37 -0.57 0.71 0.00 -1.26 -3.65 107.32 98.20 2csh s GLY 39 Ca 0.37 2.47 -0.25 0.00 0.00 0.00 0.00 44.72 47.31 2csh s GLY 39 CO 0.28 2.03 1.01 0.00 0.00 0.00 0.00 173.10 176.42 2csh n GLY 41 N 5.13 2.46 0.79 0.00 0.00 -1.26 -2.18 105.19 110.14 2csh n GLY 41 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2csh n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2csh n VAL 42 N 1.19 0.00 -0.05 1.61 0.31 -1.26 -4.94 118.33 115.19 2csh n VAL 42 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 2csh n VAL 42 Cb 0.51 -0.68 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 2csh n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2csh n GLY 44 N 3.00 1.86 4.03 0.00 0.00 -0.93 -5.11 105.19 108.05 2csh n GLY 44 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2csh n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2csh s LYS 45 N -0.06 2.25 0.05 1.61 1.02 -1.24 -4.89 119.74 118.49 2csh s LYS 45 Ca 0.00 -1.71 -0.25 0.00 0.02 0.00 0.00 55.97 54.04 2csh s LYS 45 Cb 0.00 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 2csh s LYS 45 CO 0.00 -0.91 0.58 0.15 -0.92 0.00 0.00 175.35 174.25 2csh s LYS 46 N -4.67 1.10 -0.05 1.68 1.02 -1.26 -0.17 119.74 117.39 2csh s LYS 46 Ca 0.61 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 56.37 2csh s LYS 46 Cb -0.05 0.51 0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2csh s LYS 46 CO 0.38 -0.41 0.14 -0.06 -0.92 0.00 0.00 175.35 174.48 2csh s PHE 47 N -2.47 -0.14 0.12 3.18 0.40 -1.24 -4.98 117.98 112.85 2csh s PHE 47 Ca -0.05 0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.46 2csh s PHE 47 Cb -0.01 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.53 2csh s PHE 47 CO -0.02 -0.09 1.54 -0.22 0.70 0.00 0.00 175.22 177.13 2csh h LYS 48 N 5.81 0.70 -6.22 0.44 1.63 -1.90 -3.20 116.57 113.83 2csh h LYS 48 Ca -0.25 -0.25 -0.53 0.00 -0.85 0.00 0.00 60.65 58.77 2csh h LYS 48 Cb 1.20 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2csh h LYS 48 CO 0.42 0.83 -0.35 -1.64 -3.45 0.00 0.00 179.45 175.26 2csh s MET 49 N -4.87 3.50 0.00 1.90 1.00 -1.26 -4.60 119.30 114.97 2csh s MET 49 Ca -0.13 -0.41 -0.23 0.00 0.00 0.00 0.00 55.69 54.93 2csh s MET 49 Cb 0.10 -2.85 -0.12 0.00 0.00 0.00 0.00 34.83 31.96 2csh s MET 49 CO 0.80 0.40 1.00 1.57 0.00 0.00 0.00 175.02 178.78 2csh h LYS 50 N 1.85 -0.78 0.00 2.03 2.10 -2.02 -2.88 116.57 116.86 2csh h LYS 50 Ca -0.48 0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2csh h LYS 50 Cb 1.20 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2csh h LYS 50 CO 0.67 -0.52 0.12 -2.39 -2.00 0.00 0.00 179.45 175.33 2csh n HIS 51 N -5.04 0.64 0.18 0.07 1.44 -1.26 -0.05 115.22 111.20 2csh n HIS 51 Ca -0.10 0.33 0.06 0.00 -2.01 0.00 0.00 57.72 56.00 2csh n HIS 51 Cb 0.32 -0.95 0.18 0.00 0.12 0.00 0.00 29.99 29.66 2csh n HIS 51 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2csh h HIS 52 N 0.00 0.00 0.17 -1.40 3.86 -1.91 -3.22 115.15 112.65 2csh h HIS 52 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 2csh h HIS 52 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2csh h HIS 52 CO 0.00 0.35 -1.80 1.25 0.86 0.00 0.00 177.93 178.59 2csh h LEU 53 N 0.00 0.57 0.27 2.43 5.85 -0.42 -3.38 115.31 120.63 2csh h LEU 53 Ca -0.00 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 2csh h LEU 53 Cb 1.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2csh h LEU 53 CO 0.05 1.79 -0.46 0.58 -0.34 0.00 0.00 178.44 180.06 2csh h VAL 54 N 0.10 0.00 -1.13 1.05 2.07 -1.58 0.26 116.25 117.01 2csh h VAL 54 Ca -0.36 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.49 2csh h VAL 54 Cb 2.09 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 2csh h VAL 54 CO 0.16 0.00 1.19 1.23 0.02 0.00 0.00 177.57 180.17 2csh h GLY 55 N -0.78 0.00 0.27 2.17 0.00 -1.75 0.53 103.07 103.52 2csh h GLY 55 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.94 2csh h GLY 55 CO -0.16 0.00 -2.03 1.57 0.00 0.00 0.00 176.54 175.92 2csh n HIS 56 N -3.39 0.76 -0.02 5.60 -0.00 -0.32 -4.17 115.22 113.68 2csh n HIS 56 Ca 0.25 0.21 0.23 0.00 -0.00 0.00 0.00 57.72 58.41 2csh n HIS 56 Cb 1.54 -1.09 0.72 0.00 -0.00 0.00 0.00 29.99 31.15 2csh n HIS 56 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2csh h MET 57 N -0.29 0.00 0.00 1.57 2.86 0.34 0.32 114.93 119.73 2csh h MET 57 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2csh h MET 57 Cb 1.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.47 2csh h MET 57 CO -0.08 0.00 0.07 1.63 1.06 0.00 0.00 176.91 179.60 2csh n LYS 58 N -3.88 0.12 0.17 1.72 5.02 -0.72 -0.04 118.16 120.54 2csh n LYS 58 Ca 0.12 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 57.15 2csh n LYS 58 Cb 0.79 -1.97 0.25 0.00 -0.02 0.00 0.00 35.03 34.07 2csh n LYS 58 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2csh h ILE 59 N 0.00 0.00 0.00 -0.18 3.07 -0.63 -3.38 117.51 116.39 2csh h ILE 59 Ca 0.00 -0.79 -0.20 0.00 1.55 0.00 0.00 64.86 65.42 2csh h ILE 59 Cb 0.15 1.76 -0.03 0.00 -0.27 0.00 0.00 36.82 38.42 2csh h ILE 59 CO 0.00 0.00 -1.66 1.41 -1.05 0.00 0.00 178.15 176.85 2csh n HIS 60 N -2.74 0.00 -1.63 0.16 8.25 0.94 -4.87 115.22 115.32 2csh n HIS 60 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 2csh n HIS 60 Cb 0.49 -0.42 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 2csh n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2csh s THR 61 N -2.22 3.06 0.39 1.59 -4.23 0.13 -4.63 115.64 109.73 2csh s THR 61 Ca -0.16 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2csh s THR 61 Cb 0.06 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2csh s THR 61 CO 0.21 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2csh n GLY 62 N 6.51 -3.35 2.94 3.99 0.00 -1.26 -4.82 105.19 109.20 2csh n GLY 62 Ca 0.44 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 2csh n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2csh s ILE 63 N -4.33 1.11 -0.40 -0.61 1.01 -1.26 -4.74 121.20 111.98 2csh s ILE 63 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 2csh s ILE 63 Cb 0.00 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.41 2csh s ILE 63 CO 0.00 0.38 0.26 -0.54 0.00 0.00 0.00 174.94 175.04 2csh s LYS 64 N 1.47 2.87 0.21 2.79 3.01 -1.26 -4.87 119.74 123.95 2csh s LYS 64 Ca 0.01 -1.11 -0.03 0.00 -1.01 0.00 0.00 55.97 53.83 2csh s LYS 64 Cb -0.13 -3.86 0.17 0.00 -1.01 0.00 0.00 37.83 32.99 2csh s LYS 64 CO -0.06 -0.77 1.57 -1.00 0.51 0.00 0.00 175.35 175.60 2csh h PRO 65 N 8.53 0.62 -6.16 -1.68 0.13 -1.88 -3.44 132.00 128.12 2csh h PRO 65 Ca -0.26 -0.32 -0.58 0.00 -0.87 0.00 0.00 66.00 63.96 2csh h PRO 65 Cb 1.11 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2csh h PRO 65 CO 0.71 0.92 -0.24 0.71 -0.23 0.00 0.00 178.00 179.88 2csh s TYR 66 N -4.24 3.55 -0.19 1.56 2.02 -1.25 -5.05 117.35 113.74 2csh s TYR 66 Ca -0.08 0.78 -0.16 0.00 -0.37 0.00 0.00 57.07 57.24 2csh s TYR 66 Cb 0.12 -2.16 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2csh s TYR 66 CO 0.83 0.48 0.50 -2.00 -1.57 0.00 0.00 175.55 173.79 2csh s GLU 67 N -2.11 0.55 1.15 -0.62 2.12 -1.26 -2.35 118.70 116.19 2csh s GLU 67 Ca 0.36 0.76 -0.13 0.00 0.36 0.00 0.00 54.97 56.32 2csh s GLU 67 Cb -0.13 0.21 0.28 0.00 0.26 0.00 0.00 34.13 34.74 2csh s GLU 67 CO 0.19 -0.10 1.03 0.00 -0.54 0.00 0.00 175.26 175.85 2csh n ASN 69 N -4.89 2.34 -0.02 0.00 6.94 -1.26 -3.83 115.26 114.53 2csh n ASN 69 Ca 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.58 2csh n ASN 69 Cb 0.54 1.17 -0.00 0.00 -2.36 0.00 0.00 39.78 39.13 2csh n ASN 69 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2csh h ILE 70 N 0.00 0.00 0.00 1.53 5.03 -1.94 -3.40 117.51 118.74 2csh h ILE 70 Ca -0.14 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 2csh h ILE 70 Cb 1.07 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2csh h ILE 70 CO 0.01 0.00 -0.24 0.00 -0.68 0.00 0.00 178.15 177.24 2csh n ALA 72 N -1.71 -0.81 -1.70 0.00 0.00 -1.25 -4.99 120.51 110.06 2csh n ALA 72 Ca 0.05 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 2csh n ALA 72 Cb 0.41 -3.28 0.07 0.00 0.00 0.00 0.00 19.45 16.65 2csh n ALA 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2csh s LYS 73 N -5.46 2.47 -0.14 0.00 1.02 -1.26 -4.64 119.74 111.73 2csh s LYS 73 Ca 0.23 0.58 -0.01 0.00 0.02 0.00 0.00 55.97 56.79 2csh s LYS 73 Cb -0.10 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2csh s LYS 73 CO 0.28 -1.33 -0.11 1.03 -0.92 0.00 0.00 175.35 174.30 2csh s ARG 74 N -5.24 3.42 -0.24 1.68 0.52 -1.26 -0.58 118.95 117.25 2csh s ARG 74 Ca 0.59 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2csh s ARG 74 Cb -0.13 -2.71 0.08 0.00 0.52 0.00 0.00 34.95 32.71 2csh s ARG 74 CO 0.53 0.17 0.06 -0.06 0.02 0.00 0.00 175.30 176.02 2csh s PHE 75 N 0.49 1.17 0.41 -0.53 0.08 -0.99 -5.00 117.98 113.61 2csh s PHE 75 Ca -0.08 -1.13 0.09 0.00 0.12 0.00 0.00 56.93 55.93 2csh s PHE 75 Cb -0.15 -1.22 0.87 0.00 -0.57 0.00 0.00 43.02 41.95 2csh s PHE 75 CO 0.04 -0.72 2.01 0.00 -0.10 0.00 0.00 175.22 176.45 2csh h MET 76 N 8.21 0.35 -6.19 0.44 -0.00 -1.90 -3.34 114.93 112.51 2csh h MET 76 Ca -0.16 -0.04 -0.56 0.00 -0.00 0.00 0.00 59.70 58.94 2csh h MET 76 Cb 1.08 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 32.57 2csh h MET 76 CO 0.39 0.33 0.36 -1.58 -0.00 0.00 0.00 176.91 176.41 2csh s TRP 77 N -5.12 3.55 0.12 -0.10 0.52 -1.26 -4.83 118.94 111.83 2csh s TRP 77 Ca -0.07 1.48 -0.16 0.00 0.02 0.00 0.00 56.10 57.37 2csh s TRP 77 Cb 0.16 -3.05 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 2csh s TRP 77 CO 0.73 -0.09 1.64 -0.09 0.02 0.00 0.00 176.95 179.15 2csh h ARG 78 N 6.98 0.59 -0.04 4.98 2.43 -2.00 -0.77 114.38 126.56 2csh h ARG 78 Ca -0.36 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 2csh h ARG 78 Cb 1.18 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2csh h ARG 78 CO 0.80 0.61 -0.11 -0.44 -1.51 0.00 0.00 179.97 179.32 2csh h ASP 79 N 0.46 -0.34 -0.48 -3.80 3.32 -1.96 -1.83 116.42 111.80 2csh h ASP 79 Ca 0.12 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2csh h ASP 79 Cb 0.28 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2csh h ASP 79 CO -0.00 -0.16 0.24 0.28 -1.72 0.00 0.00 179.24 177.88 2csh h SER 80 N -0.18 0.61 -0.01 6.45 0.02 -1.94 0.35 113.55 118.86 2csh h SER 80 Ca 0.06 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2csh h SER 80 Cb 0.25 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 2csh h SER 80 CO -0.15 0.55 -0.46 0.15 -1.14 0.00 0.00 176.83 175.79 2csh h PHE 81 N 0.63 -1.31 -0.40 3.45 3.57 -0.78 0.40 116.94 122.50 2csh h PHE 81 Ca 0.17 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 2csh h PHE 81 Cb 0.09 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2csh h PHE 81 CO -0.01 -0.52 -0.22 0.45 -2.23 0.00 0.00 178.31 175.77 2csh h HIS 82 N -0.60 0.99 -0.28 0.41 3.86 -1.27 0.22 115.15 118.48 2csh h HIS 82 Ca 0.04 -0.26 0.06 0.00 -1.16 0.00 0.00 60.37 59.05 2csh h HIS 82 Cb 0.68 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2csh h HIS 82 CO -0.46 1.03 0.20 -0.09 0.86 0.00 0.00 177.93 179.47 2csh h ARG 83 N 0.67 0.12 0.00 2.45 2.43 0.15 0.34 114.38 120.54 2csh h ARG 83 Ca 0.09 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2csh h ARG 83 Cb 0.79 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2csh h ARG 83 CO 0.06 0.08 -0.93 1.25 -1.51 0.00 0.00 179.97 178.92 2csh h HIS 84 N 0.12 0.00 -0.76 2.20 2.76 0.01 -3.39 115.15 116.10 2csh h HIS 84 Ca 0.13 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.46 2csh h HIS 84 Cb 0.36 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.21 2csh h HIS 84 CO -0.00 0.84 0.25 0.28 -1.30 0.00 0.00 177.93 178.00 2csh h VAL 85 N -1.00 0.56 -0.70 5.26 2.07 -0.48 0.38 116.25 122.34 2csh h VAL 85 Ca -0.20 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.41 2csh h VAL 85 Cb 0.95 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2csh h VAL 85 CO -0.12 0.06 0.67 0.00 0.02 0.00 0.00 177.57 178.20 2csh h THR 86 N 0.35 0.33 0.00 2.57 1.03 -1.12 -1.00 112.91 115.08 2csh h THR 86 Ca 0.43 0.00 -0.43 0.00 -0.01 0.00 0.00 66.41 66.40 2csh h THR 86 Cb 0.72 0.49 -0.07 0.00 -1.07 0.00 0.00 68.15 68.22 2csh h THR 86 CO -0.47 0.00 -2.41 -1.20 -0.01 0.00 0.00 175.52 171.42 2csh n SER 87 N -3.77 1.96 0.12 0.00 7.64 0.11 -3.74 113.62 115.94 2csh n SER 87 Ca 0.14 0.23 0.19 0.00 1.01 0.00 0.00 58.87 60.45 2csh n SER 87 Cb 0.92 -0.74 0.66 0.00 -1.01 0.00 0.00 64.21 64.04 2csh n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2csh h THR 89 N 0.00 1.00 -0.71 0.00 2.02 -1.40 -3.27 112.91 110.55 2csh h THR 89 Ca 0.18 -2.08 0.15 0.00 0.77 0.00 0.00 66.41 65.43 2csh h THR 89 Cb 1.35 2.22 -0.14 0.00 -1.74 0.00 0.00 68.15 69.84 2csh h THR 89 CO -0.00 0.34 -0.16 0.29 0.37 0.00 0.00 175.52 176.35 2csh n LYS 90 N -4.50 -0.06 -0.01 6.66 5.02 -0.39 0.84 118.16 125.72 2csh n LYS 90 Ca -0.24 1.11 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 2csh n LYS 90 Cb 0.58 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2csh n LYS 90 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2csh h SER 91 N 0.00 0.01 -0.26 4.39 0.02 -1.72 -1.78 113.55 114.22 2csh h SER 91 Ca 0.35 -0.44 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2csh h SER 91 Cb 0.55 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 2csh h SER 91 CO -0.73 0.45 -0.34 0.22 -1.14 0.00 0.00 176.83 175.29 2csh h TYR 92 N -0.43 -0.96 -0.86 3.45 5.03 0.40 -1.04 116.97 122.56 2csh h TYR 92 Ca 0.00 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 2csh h TYR 92 Cb 0.45 0.46 -0.04 0.00 1.55 0.00 0.00 36.73 39.14 2csh h TYR 92 CO 0.08 -0.40 0.52 0.93 -1.32 0.00 0.00 178.16 177.97 2csh h GLU 93 N -0.35 1.16 -0.43 1.82 4.39 -0.77 0.25 114.58 120.66 2csh h GLU 93 Ca 0.13 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.81 2csh h GLU 93 Cb 0.56 -0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 28.87 2csh h GLU 93 CO -0.45 0.81 -0.18 0.00 -1.16 0.00 0.00 179.01 178.04 2csh h ALA 94 N 1.28 0.17 -0.08 3.43 0.00 -0.29 0.18 119.26 123.95 2csh h ALA 94 Ca 0.31 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.26 2csh h ALA 94 Cb -0.05 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2csh h ALA 94 CO -0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 179.25 178.26 2csh h ALA 95 N 1.25 0.15 -0.74 0.00 0.00 -1.09 -3.27 119.26 115.57 2csh h ALA 95 Ca 0.21 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.79 2csh h ALA 95 Cb 0.41 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2csh h ALA 95 CO -0.49 0.27 0.28 -0.22 0.00 0.00 0.00 179.25 179.09 2csh h LYS 96 N -0.05 0.40 0.00 0.00 3.64 -0.45 0.46 116.57 120.57 2csh h LYS 96 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2csh h LYS 96 Cb 1.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2csh h LYS 96 CO 0.08 0.27 0.21 0.00 -2.27 0.00 0.00 179.45 177.74 2csh h ALA 97 N 1.55 1.19 0.12 5.00 0.00 -0.71 -0.60 119.26 125.81 2csh h ALA 97 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.06 2csh h ALA 97 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2csh h ALA 97 CO -0.41 -0.19 -1.30 1.49 0.00 0.00 0.00 179.25 178.84 2csh h GLU 98 N 0.00 0.26 -1.39 0.00 4.81 -0.20 -3.34 114.58 114.72 2csh h GLU 98 Ca 0.00 -0.45 -0.47 0.00 -0.13 0.00 0.00 59.36 58.31 2csh h GLU 98 Cb 0.42 0.17 -0.20 0.00 0.63 0.00 0.00 28.75 29.77 2csh h GLU 98 CO 0.00 1.21 0.59 0.00 -0.73 0.00 0.00 179.01 180.09 2csh n GLN 99 N -3.96 2.17 -2.83 1.92 10.64 -0.26 -4.96 117.38 120.10 2csh n GLN 99 Ca -0.23 -2.26 -0.34 0.00 -1.83 0.00 0.00 57.00 52.35 2csh n GLN 99 Cb 0.89 -1.90 -0.07 0.00 -0.86 0.00 0.00 30.24 28.30 2csh n GLN 99 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2csh s ASN 100 N -0.53 7.01 0.11 2.61 3.84 -1.07 -5.01 114.94 121.91 2csh s ASN 100 Ca 0.45 1.69 0.06 0.00 0.21 0.00 0.00 52.86 55.28 2csh s ASN 100 Cb 0.35 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.48 2csh s ASN 100 CO -0.03 -0.29 -0.16 -0.89 -2.79 0.00 0.00 177.10 172.94 2csh s THR 101 N -2.05 1.42 -0.21 -5.21 2.01 -1.26 -5.10 115.64 105.24 2csh s THR 101 Ca 0.59 -1.63 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 2csh s THR 101 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2csh s THR 101 CO 0.15 -0.30 1.69 0.42 -0.69 0.00 0.00 174.62 175.90 2csh s THR 102 N -1.78 3.59 0.05 -0.82 -4.23 -1.26 -4.98 115.64 106.21 2csh s THR 102 Ca 0.07 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 2csh s THR 102 Cb -0.07 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 2csh s THR 102 CO 0.04 -0.26 -0.10 -1.83 -0.54 0.00 0.00 174.62 171.92 2csh s GLU 103 N 4.84 0.65 -0.14 3.99 1.03 -1.26 -5.15 118.70 122.67 2csh s GLU 103 Ca 0.75 -0.80 -0.01 0.00 0.03 0.00 0.00 54.97 54.94 2csh s GLU 103 Cb -0.26 -0.52 -0.02 0.00 -0.80 0.00 0.00 34.13 32.53 2csh s GLU 103 CO 0.31 0.11 -0.11 0.00 -1.33 0.00 0.00 175.26 174.24 2csh s ALA 104 N -1.25 2.70 -0.42 -0.84 0.00 -1.26 -5.07 121.76 115.62 2csh s ALA 104 Ca -0.06 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 2csh s ALA 104 Cb -0.09 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2csh s ALA 104 CO 0.01 0.24 1.71 -1.54 0.00 0.00 0.00 175.76 176.18 2csh s SER 105 N 0.35 5.86 0.39 0.00 1.04 -1.26 -4.94 113.70 115.15 2csh s SER 105 Ca -0.10 0.94 -0.22 0.00 0.48 0.00 0.00 55.95 57.05 2csh s SER 105 Cb -0.16 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.28 2csh s SER 105 CO 0.05 -1.80 0.23 0.61 0.98 0.00 0.00 173.24 173.31 2csh n GLY 106 N 5.41 -2.37 3.66 7.32 0.00 -1.26 -4.93 105.19 113.02 2csh n GLY 106 Ca 0.20 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2csh n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2csh s PRO 107 N -1.14 0.12 0.05 1.61 0.04 -1.26 -5.09 135.00 129.33 2csh s PRO 107 Ca 0.61 0.41 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 2csh s PRO 107 Cb -0.65 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.27 2csh s PRO 107 CO 0.61 -2.92 0.98 0.45 0.04 0.00 0.00 177.00 176.16 2csh s SER 108 N -3.51 -0.24 0.20 6.66 0.15 -1.26 -5.19 113.70 110.51 2csh s SER 108 Ca 0.66 -0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.89 2csh s SER 108 Cb -0.18 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2csh s SER 108 CO 0.57 -0.69 0.85 -0.94 1.20 0.00 0.00 173.24 174.24 2csh s SER 109 N -2.71 -0.22 0.00 5.45 1.04 -1.26 -5.33 113.70 110.67 2csh s SER 109 Ca 0.09 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2csh s SER 109 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2csh s SER 109 CO -0.03 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.71