#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cma n GLU 2 N 0.00 0.00 -2.31 0.00 0.00 -1.26 -5.16 120.64 111.91 1cma n GLU 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1cma n GLU 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 1cma n GLU 2 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1cma s TRP 3 N -0.16 3.21 0.20 -1.84 -0.00 -1.26 -5.00 118.94 114.07 1cma s TRP 3 Ca 0.00 1.51 0.06 0.00 -0.00 0.00 0.00 56.10 57.67 1cma s TRP 3 Cb 0.00 -2.91 0.09 0.00 -0.00 0.00 0.00 33.47 30.64 1cma s TRP 3 CO 0.00 -0.69 1.45 0.66 -0.00 0.00 0.00 176.95 178.36 1cma h SER 4 N 0.89 0.13 0.00 5.86 4.64 -1.98 -3.48 113.55 119.62 1cma h SER 4 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1cma h SER 4 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1cma h SER 4 CO 0.60 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 1cma n GLY 5 N 0.72 1.83 3.56 -0.77 0.00 -1.26 -4.96 105.19 104.31 1cma n GLY 5 Ca -0.02 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1cma n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cma s GLU 6 N 0.00 2.39 0.21 1.61 2.02 -1.26 -4.70 118.70 118.97 1cma s GLU 6 Ca 0.00 1.56 -0.23 0.00 0.02 0.00 0.00 54.97 56.33 1cma s GLU 6 Cb 0.00 -4.52 -0.08 0.00 0.10 0.00 0.00 34.13 29.63 1cma s GLU 6 CO 0.00 -2.95 0.76 -0.47 0.02 0.00 0.00 175.26 172.63 1cma s TYR 7 N 11.07 3.76 -0.05 1.61 5.04 -1.26 -4.99 117.35 132.53 1cma s TYR 7 Ca 0.98 1.52 0.06 0.00 -2.44 0.00 0.00 57.07 57.19 1cma s TYR 7 Cb -0.21 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 1cma s TYR 7 CO 0.28 0.40 -0.23 0.42 -1.34 0.00 0.00 175.55 175.08 1cma s ILE 8 N -1.37 1.93 -0.06 3.14 1.01 -1.26 -4.89 121.20 119.69 1cma s ILE 8 Ca 0.40 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1cma s ILE 8 Cb -0.19 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1cma s ILE 8 CO 0.23 0.54 0.47 -0.55 0.00 0.00 0.00 174.94 175.63 1cma s SER 9 N -0.12 6.77 0.00 3.58 0.15 -1.26 -4.91 113.70 117.91 1cma s SER 9 Ca -0.04 0.92 0.30 0.00 0.70 0.00 0.00 55.95 57.83 1cma s SER 9 Cb -0.13 -2.29 1.44 0.00 -1.71 0.00 0.00 66.02 63.33 1cma s SER 9 CO 0.03 0.13 1.99 -0.81 1.20 0.00 0.00 173.24 175.78 1cma n PRO 10 N 2.91 0.70 -4.46 5.44 -0.04 -1.26 -4.88 135.00 133.40 1cma n PRO 10 Ca -0.09 -0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 62.98 1cma n PRO 10 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1cma n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1cma s TYR 11 N -2.40 2.40 0.20 0.54 1.51 -1.26 -4.78 117.35 113.56 1cma s TYR 11 Ca 0.33 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1cma s TYR 11 Cb 0.21 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1cma s TYR 11 CO 0.45 0.63 0.13 0.00 -1.11 0.00 0.00 175.55 175.65 1cma s ALA 12 N -2.53 3.50 -0.78 3.71 0.00 -1.26 -5.05 121.76 119.35 1cma s ALA 12 Ca 0.32 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 1cma s ALA 12 Cb -0.02 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1cma s ALA 12 CO 0.17 0.39 1.41 -1.21 0.00 0.00 0.00 175.76 176.52 1cma s GLU 13 N -3.38 3.17 0.27 0.00 2.02 -1.26 -4.96 118.70 114.56 1cma s GLU 13 Ca 0.31 -0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 1cma s GLU 13 Cb -0.09 -4.46 -0.16 0.00 0.10 0.00 0.00 34.13 29.52 1cma s GLU 13 CO 0.23 -2.28 0.34 1.58 0.02 0.00 0.00 175.26 175.14 1cma n HIS 14 N 9.91 -1.11 0.00 1.61 -0.00 -1.26 -1.35 115.22 123.02 1cma n HIS 14 Ca 0.12 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 1cma n HIS 14 Cb 0.50 -1.84 0.00 0.00 -0.00 0.00 0.00 29.99 28.65 1cma n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1cma n GLY 15 N 2.08 3.24 1.14 1.57 0.00 -1.26 -4.75 105.19 107.22 1cma n GLY 15 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1cma n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cma n LYS 16 N -2.00 1.26 -0.00 1.61 5.02 -0.46 -4.85 118.16 118.73 1cma n LYS 16 Ca 0.00 -2.97 -0.11 0.00 -2.02 0.00 0.00 58.31 53.21 1cma n LYS 16 Cb 0.00 -1.15 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 1cma n LYS 16 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1cma h LYS 17 N 1.19 -0.09 0.00 1.97 1.57 -1.85 -3.05 116.57 116.31 1cma h LYS 17 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1cma h LYS 17 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1cma h LYS 17 CO 0.11 0.49 0.00 -1.13 -0.57 0.00 0.00 179.45 178.35 1cma n SER 18 N -4.81 0.00 -0.00 0.86 3.41 -1.26 0.23 113.62 112.04 1cma n SER 18 Ca -0.08 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.58 1cma n SER 18 Cb 0.31 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1cma n SER 18 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1cma n GLU 19 N -0.99 1.03 0.00 4.33 2.13 -1.23 -4.69 120.64 121.22 1cma n GLU 19 Ca 0.00 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1cma n GLU 19 Cb 0.00 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1cma n GLU 19 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1cma n GLN 20 N -1.70 1.30 -4.27 5.31 6.02 0.26 -5.07 117.38 119.23 1cma n GLN 20 Ca -0.01 -0.13 -0.23 0.00 -0.01 0.00 0.00 57.00 56.62 1cma n GLN 20 Cb 0.22 -0.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.89 1cma n GLN 20 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1cma s VAL 21 N -0.22 3.57 0.01 5.09 1.01 0.61 -5.03 120.40 125.44 1cma s VAL 21 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.13 1cma s VAL 21 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1cma s VAL 21 CO 0.00 -0.37 -0.00 -0.75 0.00 0.00 0.00 175.10 173.98 1cma s LYS 22 N -3.68 0.28 -0.30 2.72 2.20 -1.26 -4.74 119.74 114.96 1cma s LYS 22 Ca 0.31 -0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 55.35 1cma s LYS 22 Cb -0.07 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1cma s LYS 22 CO 0.20 -0.05 0.13 0.15 -0.36 0.00 0.00 175.35 175.43 1cma s LYS 23 N -1.22 3.36 0.37 4.03 1.02 -1.26 -5.09 119.74 120.95 1cma s LYS 23 Ca -0.13 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.24 1cma s LYS 23 Cb -0.08 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1cma s LYS 23 CO -0.01 -0.38 0.29 0.96 -0.92 0.00 0.00 175.35 175.29 1cma s ILE 24 N 1.60 3.08 -0.65 2.17 -4.36 -1.26 -5.09 121.20 116.69 1cma s ILE 24 Ca 0.05 -1.44 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1cma s ILE 24 Cb -0.17 -3.07 0.17 0.00 1.25 0.00 0.00 42.46 40.64 1cma s ILE 24 CO 0.05 -0.11 0.47 -0.89 0.24 0.00 0.00 174.94 174.71 1cma s THR 25 N -2.40 3.83 0.18 8.37 2.01 -1.26 -5.09 115.64 121.27 1cma s THR 25 Ca 0.43 -2.99 -0.18 0.00 0.31 0.00 0.00 61.69 59.26 1cma s THR 25 Cb -0.04 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 1cma s THR 25 CO 0.26 -0.90 0.64 0.68 -0.69 0.00 0.00 174.62 174.62 1cma s VAL 26 N -0.13 4.69 -0.26 3.82 -7.23 -1.26 -5.04 120.40 114.99 1cma s VAL 26 Ca 0.18 1.12 -0.08 0.00 -1.81 0.00 0.00 61.98 61.38 1cma s VAL 26 Cb -0.19 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 32.89 1cma s VAL 26 CO -0.04 0.27 0.10 -0.44 -0.31 0.00 0.00 175.10 174.68 1cma s SER 27 N -1.60 5.33 -0.07 4.85 0.01 -1.26 -5.06 113.70 115.89 1cma s SER 27 Ca 0.39 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.49 1cma s SER 27 Cb -0.17 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1cma s SER 27 CO 0.20 -0.05 -0.14 -0.51 0.41 0.00 0.00 173.24 173.15 1cma s ILE 28 N 1.64 1.30 0.44 1.44 2.07 -1.26 -5.11 121.20 121.72 1cma s ILE 28 Ca 0.06 -0.57 -0.24 0.00 -1.41 0.00 0.00 60.65 58.49 1cma s ILE 28 Cb -0.15 -1.17 -0.08 0.00 0.13 0.00 0.00 42.46 41.19 1cma s ILE 28 CO 0.05 0.39 1.24 -2.16 -1.91 0.00 0.00 174.94 172.55 1cma s PRO 29 N 0.62 3.79 0.17 3.50 0.05 -1.26 -4.77 135.00 137.10 1cma s PRO 29 Ca -0.15 1.97 -0.26 0.00 0.05 0.00 0.00 61.00 62.61 1cma s PRO 29 Cb -0.16 -2.54 0.04 0.00 0.05 0.00 0.00 34.50 31.88 1cma s PRO 29 CO 0.04 -0.58 1.57 -0.07 0.05 0.00 0.00 177.00 178.01 1cma h LEU 30 N 2.27 -1.51 -0.87 -3.56 3.38 -1.99 0.04 115.31 113.06 1cma h LEU 30 Ca -0.49 0.25 0.18 0.00 0.09 0.00 0.00 57.88 57.90 1cma h LEU 30 Cb 1.25 0.69 -0.16 0.00 0.09 0.00 0.00 40.66 42.53 1cma h LEU 30 CO 0.61 -0.33 -0.20 0.11 0.09 0.00 0.00 178.44 178.72 1cma h LYS 31 N -0.22 0.00 -0.34 1.13 1.79 -2.01 0.95 116.57 117.88 1cma h LYS 31 Ca 0.18 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.49 1cma h LYS 31 Cb 0.56 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1cma h LYS 31 CO -0.70 0.00 -0.42 0.28 -1.08 0.00 0.00 179.45 177.53 1cma h VAL 32 N 0.00 1.28 -0.44 0.50 2.07 -1.42 -3.20 116.25 115.04 1cma h VAL 32 Ca 0.42 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1cma h VAL 32 Cb 0.66 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1cma h VAL 32 CO -0.89 0.53 0.20 0.25 0.02 0.00 0.00 177.57 177.68 1cma h LEU 33 N 0.69 0.28 0.27 2.57 5.85 0.59 -1.53 115.31 124.03 1cma h LEU 33 Ca 0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1cma h LEU 33 Cb 1.02 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1cma h LEU 33 CO 0.10 0.20 -0.50 0.50 -0.34 0.00 0.00 178.44 178.40 1cma h LYS 34 N 0.41 -0.81 -0.50 1.25 3.64 -1.23 1.19 116.57 120.52 1cma h LYS 34 Ca 0.20 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1cma h LYS 34 Cb 0.13 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 1cma h LYS 34 CO -0.16 -0.54 -0.12 0.82 -2.27 0.00 0.00 179.45 177.19 1cma h ILE 35 N -0.84 0.51 -0.24 2.00 2.04 -1.53 0.21 117.51 119.66 1cma h ILE 35 Ca -0.02 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1cma h ILE 35 Cb 0.80 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1cma h ILE 35 CO -0.19 0.00 0.08 0.25 0.00 0.00 0.00 178.15 178.29 1cma h LEU 36 N 0.01 0.09 -0.32 1.44 5.85 -0.51 -2.79 115.31 119.08 1cma h LEU 36 Ca 0.24 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1cma h LEU 36 Cb 0.37 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1cma h LEU 36 CO -0.51 0.08 0.11 0.74 -0.34 0.00 0.00 178.44 178.53 1cma h THR 37 N 0.19 0.92 0.12 1.05 2.02 0.30 -2.93 112.91 114.57 1cma h THR 37 Ca 0.10 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1cma h THR 37 Cb 0.07 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1cma h THR 37 CO -0.11 0.05 -0.43 0.44 0.37 0.00 0.00 175.52 175.83 1cma h ASP 38 N 0.25 -1.30 -1.04 4.18 5.19 -0.39 -1.75 116.42 121.56 1cma h ASP 38 Ca 0.14 0.14 0.28 0.00 -0.62 0.00 0.00 57.03 56.97 1cma h ASP 38 Cb 0.11 0.48 -0.12 0.00 0.18 0.00 0.00 39.33 39.98 1cma h ASP 38 CO -0.14 -0.46 0.63 -0.08 -3.12 0.00 0.00 179.24 176.06 1cma h GLU 39 N -0.63 0.43 -0.05 3.56 4.57 -1.47 0.40 114.58 121.40 1cma h GLU 39 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1cma h GLU 39 Cb 0.63 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1cma h GLU 39 CO -0.23 0.29 0.03 -0.09 -1.18 0.00 0.00 179.01 177.83 1cma h ARG 40 N 0.45 0.06 -0.90 1.92 2.43 -1.14 -0.03 114.38 117.17 1cma h ARG 40 Ca 0.66 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.94 1cma h ARG 40 Cb 1.48 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.93 1cma h ARG 40 CO -0.44 0.05 0.53 1.15 -1.51 0.00 0.00 179.97 179.74 1cma h THR 41 N 0.06 0.87 -0.43 0.20 2.02 0.09 0.11 112.91 115.83 1cma h THR 41 Ca 0.02 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1cma h THR 41 Cb -0.00 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 1cma h THR 41 CO -0.00 0.15 0.24 -0.09 0.37 0.00 0.00 175.52 176.19 1cma h ARG 42 N 0.83 0.47 -0.65 6.66 2.43 0.26 0.17 114.38 124.55 1cma h ARG 42 Ca 0.45 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.67 1cma h ARG 42 Cb 0.48 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1cma h ARG 42 CO -0.28 0.31 0.31 0.00 -1.51 0.00 0.00 179.97 178.80 1cma h ARG 43 N 0.48 0.53 -0.28 0.20 3.08 0.10 -0.27 114.38 118.22 1cma h ARG 43 Ca 0.18 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1cma h ARG 43 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1cma h ARG 43 CO -0.10 0.35 0.13 1.96 -1.07 0.00 0.00 179.97 181.24 1cma h GLN 44 N 0.54 0.27 0.10 0.04 4.20 0.04 0.24 115.11 120.54 1cma h GLN 44 Ca 0.31 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1cma h GLN 44 Cb 0.32 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1cma h GLN 44 CO -0.25 0.18 -0.26 0.28 -0.67 0.00 0.00 178.83 178.10 1cma h VAL 45 N 0.28 0.00 0.00 -0.54 2.07 0.77 0.18 116.25 119.01 1cma h VAL 45 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1cma h VAL 45 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1cma h VAL 45 CO -0.09 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.09 1cma n ASN 46 N -3.94 1.06 -2.88 0.57 4.13 -0.26 -4.83 115.26 109.11 1cma n ASN 46 Ca -0.05 -1.28 -0.23 0.00 1.68 0.00 0.00 54.58 54.70 1cma n ASN 46 Cb 0.21 -0.32 0.02 0.00 -1.54 0.00 0.00 39.78 38.15 1cma n ASN 46 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1cma n ASN 47 N 0.34 -4.50 -4.13 6.41 2.85 0.62 -4.99 115.26 111.86 1cma n ASN 47 Ca 0.00 -0.02 -0.27 0.00 -0.11 0.00 0.00 54.58 54.18 1cma n ASN 47 Cb 0.21 -1.24 -0.08 0.00 1.24 0.00 0.00 39.78 39.92 1cma n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1cma s LEU 48 N -1.62 2.01 0.67 1.20 1.43 0.02 -4.50 118.68 117.90 1cma s LEU 48 Ca 0.22 -1.73 0.03 0.00 -1.03 0.00 0.00 54.13 51.63 1cma s LEU 48 Cb -0.02 -0.14 0.12 0.00 0.03 0.00 0.00 46.19 46.18 1cma s LEU 48 CO 0.51 -0.98 0.92 -0.13 0.23 0.00 0.00 176.35 176.90 1cma s ARG 49 N -3.69 1.89 -1.43 1.70 0.52 -1.17 -4.43 118.95 112.35 1cma s ARG 49 Ca 0.19 -1.35 -0.10 0.00 -0.52 0.00 0.00 55.73 53.95 1cma s ARG 49 Cb 0.01 -2.45 0.07 0.00 0.52 0.00 0.00 34.95 33.10 1cma s ARG 49 CO 0.13 -1.25 0.67 0.72 0.02 0.00 0.00 175.30 175.60 1cma n HIS 50 N -2.62 -1.97 -2.85 -0.53 8.25 -1.26 -4.83 115.22 109.41 1cma n HIS 50 Ca 0.16 0.63 -0.44 0.00 -0.26 0.00 0.00 57.72 57.81 1cma n HIS 50 Cb 0.61 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 28.21 1cma n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cma n ALA 51 N -3.92 4.52 -3.47 -1.41 0.00 -1.26 -4.63 120.51 110.34 1cma n ALA 51 Ca -0.01 -4.41 -0.16 0.00 0.00 0.00 0.00 53.44 48.86 1cma n ALA 51 Cb 0.55 -2.85 -0.07 0.00 0.00 0.00 0.00 19.45 17.08 1cma n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cma s THR 52 N 0.22 0.01 0.11 0.00 -4.23 -1.26 -4.90 115.64 105.58 1cma s THR 52 Ca 0.38 -0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 1cma s THR 52 Cb 0.00 -0.90 -0.10 0.00 1.34 0.00 0.00 72.50 72.84 1cma s THR 52 CO 0.00 -0.05 1.60 0.78 -0.54 0.00 0.00 174.62 176.42 1cma h ASN 53 N 3.62 -1.07 -0.85 3.99 4.21 -1.92 -1.08 115.58 122.49 1cma h ASN 53 Ca -0.28 0.12 0.18 0.00 1.21 0.00 0.00 56.30 57.53 1cma h ASN 53 Cb 1.15 0.40 -0.11 0.00 -1.12 0.00 0.00 38.32 38.64 1cma h ASN 53 CO 0.33 -0.46 0.37 0.28 -1.29 0.00 0.00 177.43 176.65 1cma h SER 54 N -0.63 0.34 -0.37 5.81 0.02 -1.97 0.44 113.55 117.18 1cma h SER 54 Ca 0.02 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1cma h SER 54 Cb 0.64 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1cma h SER 54 CO -0.19 0.07 0.16 -0.33 -1.14 0.00 0.00 176.83 175.40 1cma h GLU 55 N 0.45 0.55 0.25 3.45 5.08 -1.72 0.05 114.58 122.69 1cma h GLU 55 Ca 0.50 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1cma h GLU 55 Cb 0.85 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1cma h GLU 55 CO -0.46 0.51 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.84 1cma h LEU 56 N 0.45 -0.38 -0.43 1.33 3.38 0.88 0.38 115.31 120.92 1cma h LEU 56 Ca 0.12 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.20 1cma h LEU 56 Cb 0.16 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1cma h LEU 56 CO -0.01 -0.25 0.03 -0.07 0.09 0.00 0.00 178.44 178.22 1cma h LEU 57 N -0.39 -0.12 -0.68 1.67 3.38 -0.23 0.29 115.31 119.22 1cma h LEU 57 Ca -0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1cma h LEU 57 Cb 0.33 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1cma h LEU 57 CO 0.02 -0.03 0.30 0.00 0.09 0.00 0.00 178.44 178.83 1cma h GLU 59 N 0.95 0.60 0.19 0.00 5.08 0.73 -2.80 114.58 119.32 1cma h GLU 59 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1cma h GLU 59 Cb 0.16 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1cma h GLU 59 CO -0.02 0.40 -0.10 0.00 -1.00 0.00 0.00 179.01 178.28 1cma h ALA 60 N 1.16 -0.27 -0.17 3.43 0.00 -0.05 -2.38 119.26 120.98 1cma h ALA 60 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1cma h ALA 60 Cb -0.06 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1cma h ALA 60 CO -0.04 -0.65 -0.40 0.35 0.00 0.00 0.00 179.25 178.51 1cma h PHE 61 N -0.27 -1.16 -0.74 0.00 3.57 -0.80 0.70 116.94 118.23 1cma h PHE 61 Ca -0.02 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1cma h PHE 61 Cb 0.22 0.53 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 1cma h PHE 61 CO -0.08 -0.46 0.44 -0.07 -2.23 0.00 0.00 178.31 175.91 1cma h LEU 62 N -0.45 0.67 -0.21 0.59 3.38 -1.49 0.10 115.31 117.90 1cma h LEU 62 Ca 0.09 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1cma h LEU 62 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1cma h LEU 62 CO -0.42 0.43 0.06 -0.74 0.09 0.00 0.00 178.44 177.86 1cma h HIS 63 N 0.80 0.10 -0.29 1.13 2.76 -0.78 -1.01 115.15 117.86 1cma h HIS 63 Ca 0.33 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 1cma h HIS 63 Cb 0.17 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1cma h HIS 63 CO -0.06 0.05 0.12 0.00 -1.30 0.00 0.00 177.93 176.74 1cma h ALA 64 N 1.14 0.37 0.29 5.26 0.00 -0.11 -2.26 119.26 123.95 1cma h ALA 64 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cma h ALA 64 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1cma h ALA 64 CO -0.10 -0.04 -0.14 0.35 0.00 0.00 0.00 179.25 179.31 1cma h PHE 65 N 0.32 -0.36 -0.05 0.00 3.04 -0.67 -3.40 116.94 115.82 1cma h PHE 65 Ca 0.10 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 1cma h PHE 65 Cb 0.16 0.12 0.01 0.00 2.56 0.00 0.00 35.95 38.80 1cma h PHE 65 CO -0.01 -0.22 -0.42 1.79 -2.02 0.00 0.00 178.31 177.43 1cma h THR 66 N -0.81 1.43 0.00 4.41 1.35 -1.34 -3.48 112.91 114.47 1cma h THR 66 Ca -0.04 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1cma h THR 66 Cb 0.30 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1cma h THR 66 CO 0.07 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1cma n GLY 67 N 0.83 1.71 2.60 5.82 0.00 -0.85 -4.68 105.19 110.63 1cma n GLY 67 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1cma n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cma n GLN 68 N 0.00 0.00 -2.47 1.61 7.27 -1.26 -4.85 117.38 117.68 1cma n GLN 68 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1cma n GLN 68 Cb 0.00 -0.79 -0.04 0.00 2.41 0.00 0.00 30.24 31.83 1cma n GLN 68 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1cma s PRO 69 N -0.79 3.97 0.39 3.69 0.05 -1.26 -4.25 135.00 136.81 1cma s PRO 69 Ca 0.47 0.95 -0.05 0.00 0.05 0.00 0.00 61.00 62.42 1cma s PRO 69 Cb -0.51 -2.15 -0.04 0.00 0.05 0.00 0.00 34.50 31.84 1cma s PRO 69 CO 0.49 -0.23 0.67 -0.51 0.05 0.00 0.00 177.00 177.47 1cma s LEU 70 N -3.95 3.85 0.16 -3.56 1.43 -1.26 -4.94 118.68 110.41 1cma s LEU 70 Ca 0.59 0.80 -0.28 0.00 -1.03 0.00 0.00 54.13 54.22 1cma s LEU 70 Cb -0.10 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1cma s LEU 70 CO 0.29 -0.39 0.86 -2.16 0.23 0.00 0.00 176.35 175.18 1cma s PRO 71 N -4.20 4.67 0.16 1.29 0.04 -1.26 -4.98 135.00 130.72 1cma s PRO 71 Ca 0.45 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1cma s PRO 71 Cb -0.10 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1cma s PRO 71 CO 0.37 0.46 0.24 0.16 0.04 0.00 0.00 177.00 178.27 1cma s ASP 72 N -0.82 6.07 0.23 6.66 1.47 -1.26 -4.98 116.67 124.04 1cma s ASP 72 Ca 0.40 0.06 0.12 0.00 1.18 0.00 0.00 52.55 54.31 1cma s ASP 72 Cb -0.24 -1.75 0.80 0.00 -0.34 0.00 0.00 42.92 41.39 1cma s ASP 72 CO 0.28 0.05 0.97 0.47 0.68 0.00 0.00 175.17 177.62 1cma n ASP 73 N -0.57 0.19 0.08 2.11 9.92 -1.26 -0.46 116.55 126.56 1cma n ASP 73 Ca -0.08 1.03 -0.13 0.00 -0.53 0.00 0.00 54.79 55.08 1cma n ASP 73 Cb 0.55 -0.49 -0.08 0.00 -0.64 0.00 0.00 41.12 40.45 1cma n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cma h ALA 74 N 1.23 -0.18 0.00 2.24 0.00 -1.99 -3.02 119.26 117.54 1cma h ALA 74 Ca 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1cma h ALA 74 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1cma h ALA 74 CO -0.48 -0.47 0.18 -0.44 0.00 0.00 0.00 179.25 178.03 1cma h ASP 75 N -0.44 0.00 0.25 0.00 3.32 -1.14 -1.84 116.42 116.57 1cma h ASP 75 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1cma h ASP 75 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1cma h ASP 75 CO 0.03 0.00 -1.51 0.18 -1.72 0.00 0.00 179.24 176.22 1cma n LEU 76 N -2.65 0.39 -4.49 1.55 4.77 -1.15 -4.85 117.00 110.58 1cma n LEU 76 Ca -0.02 -0.01 -0.57 0.00 -0.03 0.00 0.00 56.01 55.38 1cma n LEU 76 Cb 0.23 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1cma n LEU 76 CO 0.13 0.01 0.51 0.54 -1.33 0.00 0.00 177.39 177.24 1cma n ARG 77 N -2.17 0.05 -0.25 3.23 1.74 -0.70 -3.03 116.66 115.54 1cma n ARG 77 Ca -0.01 0.02 0.17 0.00 -0.77 0.00 0.00 57.85 57.26 1cma n ARG 77 Cb 0.51 -1.46 0.47 0.00 -1.02 0.00 0.00 32.46 30.96 1cma n ARG 77 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1cma h LYS 78 N 2.79 0.47 -0.03 5.56 1.57 -1.91 -1.06 116.57 123.96 1cma h LYS 78 Ca -0.48 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1cma h LYS 78 Cb 1.43 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 1cma h LYS 78 CO 0.64 0.31 -0.23 0.93 -0.57 0.00 0.00 179.45 180.54 1cma h GLU 79 N 0.48 -0.33 -6.24 3.15 3.07 -1.96 -3.42 114.58 109.33 1cma h GLU 79 Ca 0.47 0.02 -0.63 0.00 -0.50 0.00 0.00 59.36 58.72 1cma h GLU 79 Cb 1.05 0.07 0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1cma h GLU 79 CO -0.19 -0.22 1.12 -2.13 -1.40 0.00 0.00 179.01 176.18 1cma n ARG 80 N -5.35 2.05 -1.76 2.33 0.63 -0.40 -4.94 116.66 109.21 1cma n ARG 80 Ca -0.04 0.74 -0.40 0.00 -0.92 0.00 0.00 57.85 57.23 1cma n ARG 80 Cb 0.27 -2.62 0.01 0.00 0.45 0.00 0.00 32.46 30.57 1cma n ARG 80 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1cma n SER 81 N 6.88 3.38 -4.53 6.15 2.88 -1.26 -4.80 113.62 122.31 1cma n SER 81 Ca 0.24 1.14 -0.44 0.00 -1.33 0.00 0.00 58.87 58.48 1cma n SER 81 Cb 0.28 -1.60 -0.05 0.00 -0.75 0.00 0.00 64.21 62.09 1cma n SER 81 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1cma n ASP 82 N -0.05 2.57 0.00 -3.46 -0.08 -1.26 -4.87 116.55 109.40 1cma n ASP 82 Ca 0.05 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1cma n ASP 82 Cb 0.41 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.43 1cma n ASP 82 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cma n GLU 83 N 8.61 0.00 -3.30 -0.67 1.02 -1.26 -5.17 120.64 119.87 1cma n GLU 83 Ca 0.37 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.18 1cma n GLU 83 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.74 1cma n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1cma s ILE 84 N -1.07 4.82 0.81 -3.67 1.01 -1.26 -5.07 121.20 116.78 1cma s ILE 84 Ca 0.00 0.72 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 1cma s ILE 84 Cb 0.00 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.90 1cma s ILE 84 CO 0.00 -0.04 1.11 -2.16 0.00 0.00 0.00 174.94 173.85 1cma s PRO 85 N -2.68 1.89 0.10 2.79 0.05 -1.26 -4.89 135.00 131.00 1cma s PRO 85 Ca 0.48 1.32 -0.33 0.00 0.05 0.00 0.00 61.00 62.51 1cma s PRO 85 Cb -0.12 -1.85 -0.14 0.00 0.05 0.00 0.00 34.50 32.45 1cma s PRO 85 CO 0.20 -1.94 1.58 0.93 0.05 0.00 0.00 177.00 177.82 1cma h GLU 86 N -1.28 -0.78 -0.53 4.56 5.08 -1.95 -2.70 114.58 116.98 1cma h GLU 86 Ca -0.44 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1cma h GLU 86 Cb 1.25 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.59 1cma h GLU 86 CO 0.48 -0.52 0.06 0.00 -1.00 0.00 0.00 179.01 178.04 1cma h ALA 87 N -0.48 0.56 -0.44 3.43 0.00 -1.93 -1.29 119.26 119.11 1cma h ALA 87 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1cma h ALA 87 Cb 0.76 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1cma h ALA 87 CO -0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 179.25 178.67 1cma h ALA 88 N 1.44 0.33 -0.63 0.00 0.00 -1.90 -0.59 119.26 117.91 1cma h ALA 88 Ca 0.27 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1cma h ALA 88 Cb 0.39 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1cma h ALA 88 CO -0.39 -0.43 0.17 0.87 0.00 0.00 0.00 179.25 179.47 1cma h LYS 89 N 0.04 0.30 0.13 0.00 1.57 -0.92 0.79 116.57 118.48 1cma h LYS 89 Ca 0.21 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1cma h LYS 89 Cb 0.32 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1cma h LYS 89 CO -0.42 0.20 -0.38 1.49 -0.57 0.00 0.00 179.45 179.78 1cma h GLU 90 N 0.31 -0.59 -0.80 3.15 4.81 -0.60 0.36 114.58 121.21 1cma h GLU 90 Ca 0.33 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1cma h GLU 90 Cb 0.48 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1cma h GLU 90 CO -0.39 -0.40 0.35 0.82 -0.73 0.00 0.00 179.01 178.67 1cma h ILE 91 N -0.62 1.26 -0.03 2.32 2.04 -0.95 -1.82 117.51 119.71 1cma h ILE 91 Ca 0.02 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1cma h ILE 91 Cb 0.64 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1cma h ILE 91 CO -0.21 0.32 0.01 0.24 0.00 0.00 0.00 178.15 178.51 1cma h MET 92 N 1.15 0.05 -0.71 2.37 2.86 -0.39 -3.02 114.93 117.25 1cma h MET 92 Ca 0.27 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 58.00 1cma h MET 92 Cb 0.17 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 1cma h MET 92 CO -0.03 0.16 0.35 0.00 1.06 0.00 0.00 176.91 178.45 1cma h ARG 93 N -0.08 0.57 -0.83 1.72 3.08 -0.09 -1.40 114.38 117.34 1cma h ARG 93 Ca 0.01 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.14 1cma h ARG 93 Cb 0.13 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1cma h ARG 93 CO -0.00 0.37 0.46 0.93 -1.07 0.00 0.00 179.97 180.66 1cma h GLU 94 N 0.58 0.71 -0.93 0.04 5.08 -1.23 0.28 114.58 119.12 1cma h GLU 94 Ca 0.35 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1cma h GLU 94 Cb 0.39 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1cma h GLU 94 CO -0.28 0.47 0.01 -1.33 -1.00 0.00 0.00 179.01 176.89 1cma n MET 95 N -4.78 1.68 -3.18 2.33 2.81 -0.55 -4.89 117.12 110.55 1cma n MET 95 Ca 0.15 -0.59 -0.08 0.00 -1.81 0.00 0.00 57.70 55.37 1cma n MET 95 Cb 0.33 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1cma n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cma n GLY 96 N 0.13 -1.19 2.72 3.03 0.00 0.97 -5.04 105.19 105.82 1cma n GLY 96 Ca 0.06 0.69 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 1cma n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cma s ILE 97 N -2.84 0.19 -0.53 -0.61 1.01 -1.09 -4.99 121.20 112.34 1cma s ILE 97 Ca 0.07 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 1cma s ILE 97 Cb -0.02 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1cma s ILE 97 CO 0.79 0.13 1.57 0.21 0.00 0.00 0.00 174.94 177.63 1cma s ASN 98 N 2.04 5.92 0.33 3.58 3.84 -1.26 -4.08 114.94 125.31 1cma s ASN 98 Ca 0.04 0.48 0.02 0.00 0.21 0.00 0.00 52.86 53.62 1cma s ASN 98 Cb -0.13 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.60 1cma s ASN 98 CO -0.05 -1.83 1.90 1.55 -2.79 0.00 0.00 177.10 175.87 1cma h PRO 99 N 12.13 0.67 0.00 0.43 0.13 -1.95 0.44 132.00 143.85 1cma h PRO 99 Ca -0.28 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1cma h PRO 99 Cb 1.12 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1cma h PRO 99 CO 1.16 0.60 0.00 0.39 -0.23 0.00 0.00 178.00 179.91 1cma n GLU 100 N -4.32 0.35 -0.01 0.86 -0.58 -1.26 -2.07 120.64 113.61 1cma n GLU 100 Ca 0.03 0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 1cma n GLU 100 Cb 0.19 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 1cma n GLU 100 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1cma n THR 101 N -1.19 0.08 -1.52 2.62 -1.04 0.59 -4.98 114.28 108.84 1cma n THR 101 Ca 0.10 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.57 1cma n THR 101 Cb 0.11 0.09 -0.09 0.00 -1.82 0.00 0.00 70.33 68.62 1cma n THR 101 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1cma n TRP 102 N -1.81 0.96 -2.22 -1.42 -0.00 0.12 -4.88 117.44 108.21 1cma n TRP 102 Ca -0.03 0.26 -0.41 0.00 -0.00 0.00 0.00 57.50 57.32 1cma n TRP 102 Cb 0.26 -2.50 -0.03 0.00 -0.00 0.00 0.00 31.31 29.05 1cma n TRP 102 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 1cma s GLU 103 N 8.67 4.42 0.00 5.87 1.03 -1.26 -5.02 118.70 132.42 1cma s GLU 103 Ca 1.18 2.09 0.00 0.00 0.03 0.00 0.00 54.97 58.27 1cma s GLU 103 Cb -0.75 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 29.45 1cma s GLU 103 CO 0.38 -0.12 0.00 2.48 -1.33 0.00 0.00 175.26 176.68