#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cma s GLU 2 N 0.00 4.30 0.02 0.00 1.03 -1.26 -5.05 118.70 117.75 1cma s GLU 2 Ca 0.00 0.88 0.07 0.00 0.03 0.00 0.00 54.97 55.95 1cma s GLU 2 Cb 0.00 -3.55 -0.03 0.00 -0.80 0.00 0.00 34.13 29.75 1cma s GLU 2 CO 0.00 -0.22 -0.19 -0.46 -1.33 0.00 0.00 175.26 173.06 1cma s TRP 3 N 1.80 2.55 0.34 4.83 -0.00 -1.26 -4.80 118.94 122.38 1cma s TRP 3 Ca 0.36 -0.27 0.17 0.00 -0.00 0.00 0.00 56.10 56.36 1cma s TRP 3 Cb -0.17 -1.48 0.86 0.00 -0.00 0.00 0.00 33.47 32.68 1cma s TRP 3 CO 0.13 0.21 1.86 0.66 -0.00 0.00 0.00 176.95 179.81 1cma h SER 4 N 4.73 0.00 0.00 5.86 4.64 -1.97 -3.47 113.55 123.34 1cma h SER 4 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1cma h SER 4 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1cma h SER 4 CO 0.48 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1cma n GLY 5 N -0.36 2.76 3.64 -0.77 0.00 -1.26 -5.02 105.19 104.17 1cma n GLY 5 Ca -0.02 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 3.75 -0.07 1.61 2.02 -1.26 -4.70 118.70 120.06 1cma s GLU 6 Ca 0.00 2.40 -0.13 0.00 0.02 0.00 0.00 54.97 57.26 1cma s GLU 6 Cb 0.00 -4.25 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 1cma s GLU 6 CO 0.00 -1.40 0.32 -0.47 0.02 0.00 0.00 175.26 173.73 1cma s TYR 7 N 5.94 3.64 0.02 1.61 6.14 -1.26 -4.97 117.35 128.47 1cma s TYR 7 Ca 0.93 0.79 0.04 0.00 0.64 0.00 0.00 57.07 59.48 1cma s TYR 7 Cb -0.39 -2.21 -0.03 0.00 0.42 0.00 0.00 41.96 39.74 1cma s TYR 7 CO 0.39 0.58 -0.10 0.42 0.64 0.00 0.00 175.55 177.48 1cma s ILE 8 N -0.72 3.41 -0.40 3.14 1.01 -1.26 -4.88 121.20 121.50 1cma s ILE 8 Ca 0.20 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 1cma s ILE 8 Cb -0.15 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1cma s ILE 8 CO 0.09 0.36 0.48 -0.55 0.00 0.00 0.00 174.94 175.32 1cma s SER 9 N -1.47 6.23 0.07 3.58 0.15 -1.26 -4.88 113.70 116.13 1cma s SER 9 Ca 0.17 -0.45 0.18 0.00 0.70 0.00 0.00 55.95 56.54 1cma s SER 9 Cb -0.11 -2.24 0.74 0.00 -1.71 0.00 0.00 66.02 62.70 1cma s SER 9 CO 0.07 -0.57 1.55 -0.81 1.20 0.00 0.00 173.24 174.69 1cma n PRO 10 N 5.71 0.06 -3.72 5.44 -0.04 -1.26 -4.76 135.00 136.44 1cma n PRO 10 Ca -0.06 0.29 -0.21 0.00 -0.04 0.00 0.00 63.50 63.48 1cma n PRO 10 Cb 0.48 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.09 2.92 0.51 0.54 2.02 -1.26 -4.77 117.35 114.22 1cma s TYR 11 Ca 0.07 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 1cma s TYR 11 Cb 0.10 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1cma s TYR 11 CO 0.31 0.11 0.31 0.00 -1.57 0.00 0.00 175.55 174.72 1cma n ALA 12 N -1.44 0.72 -2.52 3.71 0.00 -1.26 -5.08 120.51 114.64 1cma n ALA 12 Ca -0.01 -2.08 -0.43 0.00 0.00 0.00 0.00 53.44 50.92 1cma n ALA 12 Cb 0.60 0.91 -0.08 0.00 0.00 0.00 0.00 19.45 20.87 1cma n ALA 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1cma s GLU 13 N -4.04 3.14 -0.00 0.00 2.02 -1.26 -5.00 118.70 113.56 1cma s GLU 13 Ca 0.24 -0.68 -0.37 0.00 0.02 0.00 0.00 54.97 54.18 1cma s GLU 13 Cb -0.02 -3.98 -0.16 0.00 0.10 0.00 0.00 34.13 30.07 1cma s GLU 13 CO 0.15 -0.93 1.46 1.58 0.02 0.00 0.00 175.26 177.55 1cma n HIS 14 N 5.81 1.70 0.00 1.61 -0.00 -1.26 -0.42 115.22 122.66 1cma n HIS 14 Ca -0.06 0.58 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1cma n HIS 14 Cb 0.47 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 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 3.01 2.42 0.30 1.57 0.00 -1.26 -4.86 105.19 106.37 1cma n GLY 15 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.55 1.43 0.18 1.61 5.02 0.43 -4.79 118.16 121.50 1cma n LYS 16 Ca 0.00 -2.89 0.02 0.00 -2.02 0.00 0.00 58.31 53.42 1cma n LYS 16 Cb 0.00 -1.56 0.33 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.44 0.00 0.00 1.97 1.57 -1.89 -2.28 116.57 116.37 1cma h LYS 17 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cma h LYS 17 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1cma h LYS 17 CO 0.01 0.40 0.00 -1.13 -0.57 0.00 0.00 179.45 178.16 1cma n SER 18 N -4.05 0.00 -0.05 0.86 3.41 -1.26 -0.99 113.62 111.53 1cma n SER 18 Ca -0.02 -0.65 -0.06 0.00 -0.26 0.00 0.00 58.87 57.88 1cma n SER 18 Cb 0.43 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.04 2.00 -0.00 4.33 2.13 -0.91 -4.72 120.64 122.43 1cma n GLU 19 Ca 0.17 0.01 0.01 0.00 0.66 0.00 0.00 57.16 58.00 1cma n GLU 19 Cb 0.10 -1.27 0.01 0.00 0.27 0.00 0.00 31.44 30.54 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 -2.46 -0.56 -4.36 5.31 6.02 -0.93 -5.03 117.38 115.36 1cma n GLN 20 Ca -0.18 -0.65 -0.28 0.00 -0.01 0.00 0.00 57.00 55.88 1cma n GLN 20 Cb 0.84 -1.03 -0.12 0.00 1.02 0.00 0.00 30.24 30.95 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 -0.17 2.56 0.00 5.09 1.01 -0.16 -5.01 120.40 123.71 1cma s VAL 21 Ca 0.02 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1cma s VAL 21 Cb 0.01 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1cma s VAL 21 CO 0.02 0.03 -0.06 -0.75 0.00 0.00 0.00 175.10 174.33 1cma s LYS 22 N -2.30 0.47 -0.18 2.72 2.20 -1.26 -4.78 119.74 116.60 1cma s LYS 22 Ca 0.18 -0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 55.41 1cma s LYS 22 Cb -0.10 -0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 1cma s LYS 22 CO 0.09 0.12 0.22 0.15 -0.36 0.00 0.00 175.35 175.56 1cma s LYS 23 N -0.27 4.22 0.13 4.03 1.02 -1.26 -5.09 119.74 122.52 1cma s LYS 23 Ca 0.01 -0.06 0.10 0.00 0.02 0.00 0.00 55.97 56.04 1cma s LYS 23 Cb -0.03 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1cma s LYS 23 CO -0.00 0.25 -0.24 0.96 -0.92 0.00 0.00 175.35 175.40 1cma s ILE 24 N 0.46 2.07 -0.88 2.17 -4.36 -1.26 -5.08 121.20 114.32 1cma s ILE 24 Ca 0.12 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.61 1cma s ILE 24 Cb -0.12 -1.87 0.16 0.00 1.25 0.00 0.00 42.46 41.89 1cma s ILE 24 CO 0.01 -0.00 0.97 -0.89 0.24 0.00 0.00 174.94 175.27 1cma s THR 25 N -1.22 5.07 0.37 8.37 2.01 -1.26 -5.04 115.64 123.95 1cma s THR 25 Ca 0.12 -1.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.00 1cma s THR 25 Cb -0.10 -4.65 -0.10 0.00 0.01 0.00 0.00 72.50 67.66 1cma s THR 25 CO 0.06 -1.31 0.96 0.68 -0.69 0.00 0.00 174.62 174.32 1cma s VAL 26 N 1.73 4.19 -0.22 3.82 -7.23 -1.26 -5.03 120.40 116.41 1cma s VAL 26 Ca 0.26 1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 61.99 1cma s VAL 26 Cb -0.08 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1cma s VAL 26 CO -0.09 -0.04 0.05 -0.44 -0.31 0.00 0.00 175.10 174.27 1cma s SER 27 N -1.81 5.14 -0.01 4.85 0.01 -1.26 -5.07 113.70 115.54 1cma s SER 27 Ca 0.56 -0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 1cma s SER 27 Cb -0.16 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.18 1cma s SER 27 CO 0.21 0.04 0.03 -0.51 0.41 0.00 0.00 173.24 173.42 1cma s ILE 28 N 1.16 -0.01 -0.04 1.44 2.07 -1.26 -5.11 121.20 119.45 1cma s ILE 28 Ca 0.04 0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 59.02 1cma s ILE 28 Cb -0.14 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 1cma s ILE 28 CO 0.03 0.02 1.18 -2.84 -1.91 0.00 0.00 174.94 171.41 1cma s PRO 29 N 0.20 4.38 0.13 3.50 0.02 -1.26 -4.83 135.00 137.14 1cma s PRO 29 Ca -0.02 1.66 -0.23 0.00 0.02 0.00 0.00 61.00 62.43 1cma s PRO 29 Cb -0.02 -3.52 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 1cma s PRO 29 CO -0.01 -0.39 1.21 1.28 -0.33 0.00 0.00 177.00 178.77 1cma n LEU 30 N 4.93 -0.79 -0.35 -5.54 4.77 -1.26 0.17 117.00 118.94 1cma n LEU 30 Ca 0.10 1.40 0.24 0.00 -0.03 0.00 0.00 56.01 57.72 1cma n LEU 30 Cb 0.47 -0.20 0.48 0.00 -2.33 0.00 0.00 43.42 41.84 1cma n LEU 30 CO 0.55 -1.16 1.15 0.50 -1.33 0.00 0.00 177.39 177.10 1cma h LYS 31 N 0.00 0.34 -0.03 3.23 3.64 -1.99 1.99 116.57 123.74 1cma h LYS 31 Ca 0.15 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.26 1cma h LYS 31 Cb 0.34 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1cma h LYS 31 CO -0.75 0.22 -0.95 0.28 -2.27 0.00 0.00 179.45 175.99 1cma h VAL 32 N 0.35 1.29 -0.65 2.00 2.07 0.14 -3.05 116.25 118.39 1cma h VAL 32 Ca 0.71 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 66.13 1cma h VAL 32 Cb 1.68 2.31 -0.06 0.00 -1.52 0.00 0.00 31.29 33.71 1cma h VAL 32 CO -0.53 0.67 0.35 0.25 0.02 0.00 0.00 177.57 178.34 1cma h LEU 33 N 0.39 0.52 0.21 2.57 5.85 0.48 -1.63 115.31 123.69 1cma h LEU 33 Ca -0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1cma h LEU 33 Cb 1.60 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 1cma h LEU 33 CO 0.19 0.33 -0.42 0.50 -0.34 0.00 0.00 178.44 178.70 1cma h LYS 34 N 0.65 -0.66 -0.62 1.25 1.63 0.13 0.17 116.57 119.13 1cma h LYS 34 Ca 0.29 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 60.26 1cma h LYS 34 Cb 0.20 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 31.88 1cma h LYS 34 CO -0.19 -0.44 0.07 0.82 -3.45 0.00 0.00 179.45 176.26 1cma h ILE 35 N -0.69 0.56 0.24 2.00 2.04 -1.37 -1.36 117.51 118.93 1cma h ILE 35 Ca -0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1cma h ILE 35 Cb 0.65 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1cma h ILE 35 CO -0.16 0.03 -0.11 0.25 0.00 0.00 0.00 178.15 178.16 1cma h LEU 36 N 0.19 -0.27 -0.66 1.44 5.85 -0.88 -2.82 115.31 118.16 1cma h LEU 36 Ca 0.33 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.09 1cma h LEU 36 Cb 0.52 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1cma h LEU 36 CO -0.47 -0.13 0.31 0.74 -0.34 0.00 0.00 178.44 178.55 1cma h THR 37 N -0.39 0.85 -0.66 1.05 2.02 -0.13 -1.38 112.91 114.28 1cma h THR 37 Ca -0.03 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1cma h THR 37 Cb 0.30 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1cma h THR 37 CO 0.05 0.10 0.43 0.44 0.37 0.00 0.00 175.52 176.92 1cma h ASP 38 N 0.55 0.67 -0.55 4.18 5.19 -1.13 0.14 116.42 125.47 1cma h ASP 38 Ca 0.32 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1cma h ASP 38 Cb 0.33 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1cma h ASP 38 CO -0.26 0.46 0.12 -0.08 -3.12 0.00 0.00 179.24 176.36 1cma h GLU 39 N 0.78 0.94 0.00 3.56 4.57 -1.01 0.19 114.58 123.61 1cma h GLU 39 Ca 0.26 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1cma h GLU 39 Cb 0.08 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1cma h GLU 39 CO -0.07 0.86 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.41 1cma h ARG 40 N 0.89 -0.19 -0.23 1.92 2.43 -0.64 -0.44 114.38 118.12 1cma h ARG 40 Ca 0.19 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1cma h ARG 40 Cb 0.36 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1cma h ARG 40 CO 0.00 -0.13 -0.09 1.15 -1.51 0.00 0.00 179.97 179.40 1cma h THR 41 N -0.20 0.71 -0.48 0.20 2.02 -0.86 0.13 112.91 114.43 1cma h THR 41 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1cma h THR 41 Cb 0.26 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 1cma h THR 41 CO -0.12 0.00 0.03 -0.09 0.37 0.00 0.00 175.52 175.71 1cma h ARG 42 N -0.04 0.14 -0.17 6.66 2.43 -0.43 0.44 114.38 123.40 1cma h ARG 42 Ca 0.12 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1cma h ARG 42 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1cma h ARG 42 CO -0.26 0.09 0.01 0.00 -1.51 0.00 0.00 179.97 178.31 1cma h ARG 43 N 0.15 0.07 0.14 0.20 3.08 -0.41 -1.62 114.38 115.99 1cma h ARG 43 Ca 0.24 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1cma h ARG 43 Cb 0.35 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1cma h ARG 43 CO -0.37 0.05 -0.22 1.96 -1.07 0.00 0.00 179.97 180.31 1cma h GLN 44 N 0.08 -0.41 0.00 0.04 4.20 0.90 -0.22 115.11 119.69 1cma h GLN 44 Ca 0.08 0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1cma h GLN 44 Cb 0.09 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1cma h GLN 44 CO -0.12 -0.27 -0.42 -0.39 -0.67 0.00 0.00 178.83 176.95 1cma h VAL 45 N -0.43 1.17 -0.34 -0.54 -1.51 -0.16 -1.68 116.25 112.76 1cma h VAL 45 Ca 0.02 -1.50 -0.15 0.00 -1.23 0.00 0.00 66.70 63.84 1cma h VAL 45 Cb 0.44 1.84 -0.09 0.00 -2.13 0.00 0.00 31.29 31.35 1cma h VAL 45 CO -0.11 0.41 0.19 0.59 -1.23 0.00 0.00 177.57 177.42 1cma n ASN 46 N -3.85 3.18 -3.91 4.19 4.13 -0.61 -4.88 115.26 113.51 1cma n ASN 46 Ca -0.01 -2.55 -0.26 0.00 1.68 0.00 0.00 54.58 53.43 1cma n ASN 46 Cb 0.47 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 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 -0.04 0.04 -4.94 6.41 2.85 -0.63 -4.93 115.26 114.02 1cma n ASN 47 Ca 0.20 -0.98 -0.19 0.00 -0.11 0.00 0.00 54.58 53.50 1cma n ASN 47 Cb 0.87 -1.21 -0.01 0.00 1.24 0.00 0.00 39.78 40.67 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 -6.45 3.47 0.48 1.20 1.43 -0.12 -4.50 118.68 114.19 1cma s LEU 48 Ca 0.07 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1cma s LEU 48 Cb -0.04 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1cma s LEU 48 CO 0.76 -0.74 0.78 -0.13 0.23 0.00 0.00 176.35 177.24 1cma s ARG 49 N -4.25 3.43 -1.26 1.70 0.52 -0.91 -4.48 118.95 113.69 1cma s ARG 49 Ca 0.51 0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.80 1cma s ARG 49 Cb -0.06 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 1cma s ARG 49 CO 0.30 -0.25 0.78 0.72 0.02 0.00 0.00 175.30 176.87 1cma n HIS 50 N -2.26 -1.99 -3.19 -0.53 8.25 -1.26 -4.89 115.22 109.35 1cma n HIS 50 Ca 0.01 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 57.91 1cma n HIS 50 Cb 0.56 -4.49 -0.01 0.00 1.12 0.00 0.00 29.99 27.16 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 -4.19 4.73 -3.01 -1.41 0.00 -1.26 -4.69 120.51 110.67 1cma n ALA 51 Ca -0.28 -4.76 -0.10 0.00 0.00 0.00 0.00 53.44 48.30 1cma n ALA 51 Cb 0.67 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.33 0.09 0.25 0.00 -4.23 -1.26 -4.89 115.64 103.27 1cma s THR 52 Ca 0.32 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1cma s THR 52 Cb 0.02 -0.30 0.17 0.00 1.34 0.00 0.00 72.50 73.73 1cma s THR 52 CO 0.03 -0.41 1.82 0.78 -0.54 0.00 0.00 174.62 176.30 1cma h ASN 53 N 4.67 0.94 -0.47 3.99 2.35 -1.94 -2.58 115.58 122.55 1cma h ASN 53 Ca -0.31 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.34 1cma h ASN 53 Cb 1.20 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.29 1cma h ASN 53 CO 0.41 0.85 0.22 0.28 -1.65 0.00 0.00 177.43 177.54 1cma h SER 54 N 0.99 0.31 -0.65 5.81 0.02 -1.98 -1.79 113.55 116.27 1cma h SER 54 Ca 0.23 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1cma h SER 54 Cb 0.21 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1cma h SER 54 CO -0.02 0.22 0.30 -0.33 -1.14 0.00 0.00 176.83 175.86 1cma h GLU 55 N 0.44 0.94 -0.02 3.45 5.08 -1.81 -0.89 114.58 121.78 1cma h GLU 55 Ca 0.21 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1cma h GLU 55 Cb 0.13 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cma h GLU 55 CO -0.16 0.76 0.01 -0.07 -1.00 0.00 0.00 179.01 178.55 1cma h LEU 56 N 0.90 0.03 0.23 1.33 3.38 -1.16 -0.12 115.31 119.89 1cma h LEU 56 Ca 0.22 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1cma h LEU 56 Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1cma h LEU 56 CO -0.03 0.12 -0.35 -0.07 0.09 0.00 0.00 178.44 178.21 1cma h LEU 57 N -0.07 -0.98 -0.59 1.67 3.38 -1.18 0.15 115.31 117.69 1cma h LEU 57 Ca 0.01 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1cma h LEU 57 Cb 0.10 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1cma h LEU 57 CO -0.00 -0.46 0.30 0.00 0.09 0.00 0.00 178.44 178.37 1cma h GLU 59 N 0.57 0.96 0.09 0.00 5.08 -0.73 -2.38 114.58 118.17 1cma h GLU 59 Ca 0.26 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1cma h GLU 59 Cb 0.18 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1cma h GLU 59 CO -0.18 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 1cma h ALA 60 N 1.31 -0.12 -0.31 3.43 0.00 0.68 -2.69 119.26 121.55 1cma h ALA 60 Ca 0.30 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1cma h ALA 60 Cb -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1cma h ALA 60 CO -0.10 -0.45 -0.17 0.35 0.00 0.00 0.00 179.25 178.89 1cma h PHE 61 N -0.36 -0.42 -0.97 0.00 3.57 -0.44 -0.38 116.94 117.94 1cma h PHE 61 Ca -0.01 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1cma h PHE 61 Cb 0.31 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1cma h PHE 61 CO 0.01 -0.24 0.63 -0.07 -2.23 0.00 0.00 178.31 176.40 1cma h LEU 62 N -0.13 1.04 0.29 0.59 3.38 -1.45 -0.76 115.31 118.27 1cma h LEU 62 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1cma h LEU 62 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cma h LEU 62 CO -0.39 0.69 -0.14 -0.74 0.09 0.00 0.00 178.44 177.95 1cma h HIS 63 N 1.19 -0.36 -0.55 1.13 2.76 -0.91 0.30 115.15 118.71 1cma h HIS 63 Ca 0.40 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1cma h HIS 63 Cb 0.06 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1cma h HIS 63 CO -0.01 -0.11 0.29 0.00 -1.30 0.00 0.00 177.93 176.81 1cma h ALA 64 N 0.08 0.70 0.13 5.26 0.00 -0.91 0.53 119.26 125.06 1cma h ALA 64 Ca -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cma h ALA 64 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cma h ALA 64 CO 0.07 0.23 -0.06 0.35 0.00 0.00 0.00 179.25 179.84 1cma h PHE 65 N 0.74 -0.16 0.07 0.00 3.57 -1.11 -3.40 116.94 116.65 1cma h PHE 65 Ca 0.19 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.46 1cma h PHE 65 Cb 0.06 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1cma h PHE 65 CO -0.01 0.31 -1.20 1.79 -2.23 0.00 0.00 178.31 176.96 1cma h THR 66 N -0.83 1.09 0.00 4.41 1.35 -0.47 -3.49 112.91 114.97 1cma h THR 66 Ca -0.02 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1cma h THR 66 Cb 0.55 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1cma h THR 66 CO 0.03 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1cma n GLY 67 N 1.66 1.12 1.52 5.82 0.00 0.18 -4.72 105.19 110.76 1cma n GLY 67 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.54 1.61 7.27 -1.26 -4.82 117.38 117.64 1cma n GLN 68 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 1cma n GLN 68 Cb 0.00 -0.64 -0.05 0.00 2.41 0.00 0.00 30.24 31.97 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 0.39 4.60 0.53 3.69 0.04 -1.26 -4.27 135.00 138.72 1cma s PRO 69 Ca 0.40 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1cma s PRO 69 Cb -0.57 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 1cma s PRO 69 CO 0.27 0.21 1.08 -0.51 0.04 0.00 0.00 177.00 178.09 1cma s LEU 70 N -1.61 3.73 0.63 -3.56 1.43 -1.26 -4.88 118.68 113.16 1cma s LEU 70 Ca 0.46 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1cma s LEU 70 Cb -0.29 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 1cma s LEU 70 CO 0.37 -1.05 1.04 -2.16 0.23 0.00 0.00 176.35 174.78 1cma s PRO 71 N -3.42 3.41 0.55 1.29 0.04 -1.26 -4.98 135.00 130.62 1cma s PRO 71 Ca 0.69 0.85 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1cma s PRO 71 Cb -0.19 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1cma s PRO 71 CO 0.26 -0.72 0.45 0.16 0.04 0.00 0.00 177.00 177.19 1cma s ASP 72 N -3.90 4.67 0.13 6.66 1.47 -1.26 -5.01 116.67 119.44 1cma s ASP 72 Ca 0.57 -1.22 -0.19 0.00 1.18 0.00 0.00 52.55 52.89 1cma s ASP 72 Cb -0.12 0.44 -0.02 0.00 -0.34 0.00 0.00 42.92 42.88 1cma s ASP 72 CO 0.52 -1.15 1.76 0.44 0.68 0.00 0.00 175.17 177.41 1cma h ASP 73 N 0.67 0.12 -0.86 2.11 5.19 -1.98 -2.42 116.42 119.26 1cma h ASP 73 Ca -0.36 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 56.25 1cma h ASP 73 Cb 1.30 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.71 1cma h ASP 73 CO 0.55 0.10 0.41 0.00 -3.12 0.00 0.00 179.24 177.18 1cma h ALA 74 N 1.14 1.32 0.00 3.45 0.00 -1.97 1.49 119.26 124.69 1cma h ALA 74 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cma h ALA 74 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1cma h ALA 74 CO -0.10 -0.20 0.00 -0.44 0.00 0.00 0.00 179.25 178.51 1cma h ASP 75 N 0.52 0.00 -0.01 0.00 3.32 -1.83 -2.63 116.42 115.78 1cma h ASP 75 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1cma h ASP 75 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1cma h ASP 75 CO -0.43 0.00 -0.33 0.18 -1.72 0.00 0.00 179.24 176.93 1cma n LEU 76 N -2.75 1.11 -4.69 1.55 4.77 0.50 -4.81 117.00 112.67 1cma n LEU 76 Ca -0.02 -0.69 -0.44 0.00 -0.03 0.00 0.00 56.01 54.83 1cma n LEU 76 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1cma n LEU 76 CO 0.17 0.23 1.15 0.54 -1.33 0.00 0.00 177.39 178.15 1cma n ARG 77 N -0.52 2.29 -0.30 3.23 5.12 -0.39 -2.15 116.66 123.95 1cma n ARG 77 Ca 0.04 0.82 0.05 0.00 -1.93 0.00 0.00 57.85 56.83 1cma n ARG 77 Cb 0.23 -2.55 0.26 0.00 -1.16 0.00 0.00 32.46 29.23 1cma n ARG 77 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1cma h LYS 78 N 5.06 0.96 -0.68 5.56 1.57 -1.92 -1.36 116.57 125.76 1cma h LYS 78 Ca -0.45 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1cma h LYS 78 Cb 1.25 -0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.21 1cma h LYS 78 CO 0.82 0.64 -0.19 0.93 -0.57 0.00 0.00 179.45 181.08 1cma h GLU 79 N 0.99 -0.02 -6.46 3.15 3.07 -1.95 -3.37 114.58 110.00 1cma h GLU 79 Ca 0.40 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.73 1cma h GLU 79 Cb 0.26 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1cma h GLU 79 CO -0.16 -0.01 1.05 0.50 -1.40 0.00 0.00 179.01 179.00 1cma s ARG 80 N -6.22 4.17 1.02 2.33 3.52 -0.52 -4.94 118.95 118.32 1cma s ARG 80 Ca -0.14 2.43 -0.12 0.00 -0.13 0.00 0.00 55.73 57.77 1cma s ARG 80 Cb 0.20 -3.65 0.18 0.00 -1.56 0.00 0.00 34.95 30.13 1cma s ARG 80 CO 0.74 -0.79 0.97 -1.13 -0.81 0.00 0.00 175.30 174.28 1cma n SER 81 N 5.80 -0.74 -4.58 -2.12 3.41 -1.26 -4.81 113.62 109.33 1cma n SER 81 Ca 0.17 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.54 1cma n SER 81 Cb 0.40 -1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 62.96 1cma n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cma s ASP 82 N -2.45 6.55 0.00 4.04 2.15 -1.26 -4.96 116.67 120.73 1cma s ASP 82 Ca 0.66 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1cma s ASP 82 Cb -0.23 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1cma s ASP 82 CO 0.62 -1.03 0.00 -0.62 -0.17 0.00 0.00 175.17 173.97 1cma n GLU 83 N 7.14 1.41 -3.42 4.34 1.02 -1.26 -5.15 120.64 124.72 1cma n GLU 83 Ca 0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.83 1cma n GLU 83 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.49 4.97 0.84 -3.67 1.01 -1.26 -5.05 121.20 118.54 1cma s ILE 84 Ca 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 1cma s ILE 84 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1cma s ILE 84 CO 0.00 0.54 0.15 -2.65 0.00 0.00 0.00 174.94 172.98 1cma n PRO 85 N 2.03 0.00 0.01 2.79 -0.02 -1.26 -4.74 135.00 133.81 1cma n PRO 85 Ca -0.12 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 1cma n PRO 85 Cb 0.52 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 1cma n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1cma h GLU 86 N -0.90 0.10 -0.62 -0.52 4.39 -1.96 -2.70 114.58 112.38 1cma h GLU 86 Ca -0.44 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.26 1cma h GLU 86 Cb 1.32 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 1cma h GLU 86 CO 0.35 0.10 0.41 0.00 -1.16 0.00 0.00 179.01 178.71 1cma h ALA 87 N 1.00 1.59 -0.45 3.43 0.00 -1.94 -1.67 119.26 121.23 1cma h ALA 87 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1cma h ALA 87 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cma h ALA 87 CO -0.01 0.37 -0.17 0.00 0.00 0.00 0.00 179.25 179.45 1cma h ALA 88 N 1.62 0.63 -0.50 0.00 0.00 -1.87 -2.00 119.26 117.15 1cma h ALA 88 Ca 0.23 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1cma h ALA 88 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1cma h ALA 88 CO -0.05 0.57 0.15 0.87 0.00 0.00 0.00 179.25 180.79 1cma h LYS 89 N 0.75 0.73 -0.26 0.00 1.57 -1.08 -1.60 116.57 116.68 1cma h LYS 89 Ca 0.11 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1cma h LYS 89 Cb 0.73 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1cma h LYS 89 CO 0.06 0.65 0.02 1.49 -0.57 0.00 0.00 179.45 181.09 1cma h GLU 90 N 0.72 0.44 -0.25 3.15 4.81 -1.15 -2.82 114.58 119.47 1cma h GLU 90 Ca 0.17 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1cma h GLU 90 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1cma h GLU 90 CO -0.01 0.58 -0.05 0.82 -0.73 0.00 0.00 179.01 179.62 1cma h ILE 91 N 0.23 1.28 -0.32 2.32 2.04 -1.02 -3.26 117.51 118.78 1cma h ILE 91 Ca 0.08 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1cma h ILE 91 Cb 0.37 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1cma h ILE 91 CO 0.01 0.33 0.15 0.24 0.00 0.00 0.00 178.15 178.88 1cma h MET 92 N 0.24 0.31 -0.64 2.37 2.86 -1.34 -3.07 114.93 115.66 1cma h MET 92 Ca 0.07 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 1cma h MET 92 Cb 0.51 -0.07 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 1cma h MET 92 CO 0.02 0.21 -0.10 0.00 1.06 0.00 0.00 176.91 178.10 1cma h ARG 93 N 0.32 0.04 -0.64 1.72 3.08 -1.39 -0.78 114.38 116.72 1cma h ARG 93 Ca 0.13 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1cma h ARG 93 Cb 0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1cma h ARG 93 CO -0.10 0.02 0.35 0.93 -1.07 0.00 0.00 179.97 180.11 1cma h GLU 94 N 0.04 0.64 0.00 0.04 5.08 -1.61 -1.98 114.58 116.79 1cma h GLU 94 Ca 0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1cma h GLU 94 Cb 0.50 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1cma h GLU 94 CO -0.62 0.42 -0.08 0.52 -1.00 0.00 0.00 179.01 178.25 1cma h MET 95 N 0.66 0.00 0.00 2.33 2.86 -1.21 -3.45 114.93 116.11 1cma h MET 95 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1cma h MET 95 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1cma h MET 95 CO -0.18 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.29 1cma n GLY 96 N -1.18 1.43 3.18 8.32 0.00 -0.74 -5.08 105.19 111.11 1cma n GLY 96 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 3.32 -0.74 -0.61 1.01 -0.55 -5.01 121.20 116.62 1cma s ILE 97 Ca 0.00 -1.58 -0.26 0.00 0.00 0.00 0.00 60.65 58.81 1cma s ILE 97 Cb 0.00 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1cma s ILE 97 CO 0.00 -0.35 1.76 0.21 0.00 0.00 0.00 174.94 176.55 1cma s ASN 98 N 1.54 5.48 0.38 3.58 2.47 -1.26 -2.98 114.94 124.14 1cma s ASN 98 Ca 0.01 -0.18 0.11 0.00 0.42 0.00 0.00 52.86 53.21 1cma s ASN 98 Cb -0.21 -2.55 0.88 0.00 -1.45 0.00 0.00 41.25 37.93 1cma s ASN 98 CO -0.01 -2.31 1.89 -0.65 -3.72 0.00 0.00 177.10 172.30 1cma h PRO 99 N 12.85 0.60 0.00 0.43 0.11 -1.93 -0.40 132.00 143.65 1cma h PRO 99 Ca -0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1cma h PRO 99 Cb 1.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1cma h PRO 99 CO 1.24 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 179.82 1cma n GLU 100 N -4.53 0.18 -0.03 1.05 -0.58 -1.26 -3.33 120.64 112.15 1cma n GLU 100 Ca 0.16 0.51 -0.03 0.00 -0.42 0.00 0.00 57.16 57.39 1cma n GLU 100 Cb 0.47 -1.93 -0.04 0.00 -0.57 0.00 0.00 31.44 29.37 1cma n GLU 100 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1cma n THR 101 N -2.28 0.39 -0.68 2.62 -2.24 -0.27 -5.03 114.28 106.78 1cma n THR 101 Ca 0.01 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1cma n THR 101 Cb 0.16 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 1cma n THR 101 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1cma n TRP 102 N -2.22 0.46 -2.46 4.78 -0.00 -0.55 -4.85 117.44 112.61 1cma n TRP 102 Ca -0.09 0.31 -0.43 0.00 -0.00 0.00 0.00 57.50 57.28 1cma n TRP 102 Cb 0.68 -1.17 -0.02 0.00 -0.00 0.00 0.00 31.31 30.80 1cma n TRP 102 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1cma s GLU 103 N 3.66 4.13 0.00 5.87 2.02 -1.26 -5.07 118.70 128.05 1cma s GLU 103 Ca 0.64 1.48 0.00 0.00 0.02 0.00 0.00 54.97 57.11 1cma s GLU 103 Cb -0.71 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 29.74 1cma s GLU 103 CO 0.30 -0.83 0.01 2.48 0.02 0.00 0.00 175.26 177.23