#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctl s SER 2 N 0.00 4.71 -0.00 1.61 0.15 -1.26 -5.07 113.70 113.84 2ctl s SER 2 Ca 0.00 -3.04 0.04 0.00 0.70 0.00 0.00 55.95 53.65 2ctl s SER 2 Cb 0.00 -1.72 -0.01 0.00 -1.71 0.00 0.00 66.02 62.58 2ctl s SER 2 CO 0.00 -0.27 -0.14 -0.44 1.20 0.00 0.00 173.24 173.59 2ctl s SER 3 N -0.04 1.67 0.00 5.45 0.01 -1.26 -5.05 113.70 114.48 2ctl s SER 3 Ca 0.18 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ctl s SER 3 Cb -0.22 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2ctl s SER 3 CO -0.02 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2ctl n GLY 4 N 2.60 0.88 2.07 3.44 0.00 -1.26 -4.87 105.19 108.05 2ctl n GLY 4 Ca -0.15 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 2ctl n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctl n SER 5 N 0.00 6.78 -0.36 1.61 3.41 -1.26 -4.73 113.62 119.07 2ctl n SER 5 Ca 0.00 -3.26 -0.07 0.00 -0.26 0.00 0.00 58.87 55.28 2ctl n SER 5 Cb 0.00 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 62.84 2ctl n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ctl n SER 6 N 0.10 -0.82 0.00 4.04 2.88 -1.26 -4.90 113.62 113.66 2ctl n SER 6 Ca 0.40 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.50 2ctl n SER 6 Cb 0.59 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2ctl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctl n GLY 7 N -1.28 3.12 0.47 0.46 0.00 -1.26 -5.04 105.19 101.65 2ctl n GLY 7 Ca 0.04 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2ctl n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ctl n GLU 8 N -1.63 0.28 -4.19 1.61 2.13 -1.26 -5.06 120.64 112.51 2ctl n GLU 8 Ca 0.00 0.11 -0.16 0.00 0.66 0.00 0.00 57.16 57.76 2ctl n GLU 8 Cb 0.00 -1.03 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 2ctl n GLU 8 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2ctl s GLN 9 N -2.24 0.89 0.00 5.31 -0.21 -1.26 -5.04 119.66 117.12 2ctl s GLN 9 Ca -0.17 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.07 2ctl s GLN 9 Cb 0.06 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.36 2ctl s GLN 9 CO 0.24 0.13 0.00 -0.85 -2.12 0.00 0.00 175.29 172.69 2ctl n GLU 10 N 0.72 1.28 -0.01 2.91 0.00 -1.26 -4.71 120.64 119.57 2ctl n GLU 10 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.95 2ctl n GLU 10 Cb 0.57 -0.91 0.19 0.00 0.00 0.00 0.00 31.44 31.29 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2ctl h ASP 11 N 0.00 0.55 -0.36 -1.84 3.04 -2.00 -2.58 116.42 113.24 2ctl h ASP 11 Ca 0.00 -0.17 0.10 0.00 -3.24 0.00 0.00 57.03 53.72 2ctl h ASP 11 Cb 0.06 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.18 2ctl h ASP 11 CO 0.00 0.76 0.45 0.08 -2.04 0.00 0.00 179.24 178.49 2ctl h ARG 12 N 0.50 0.00 0.11 4.15 0.11 -2.00 0.14 114.38 117.39 2ctl h ARG 12 Ca 0.08 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.83 2ctl h ARG 12 Cb 0.62 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 2ctl h ARG 12 CO 0.04 0.00 -1.76 0.00 0.10 0.00 0.00 179.97 178.35 2ctl h ALA 13 N 1.43 0.40 -0.03 0.08 0.00 -1.79 -3.14 119.26 116.20 2ctl h ALA 13 Ca 0.17 -1.28 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 2ctl h ALA 13 Cb 1.07 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2ctl h ALA 13 CO -0.00 1.26 0.01 -0.07 0.00 0.00 0.00 179.25 180.45 2ctl h LEU 14 N 0.06 0.05 -1.53 0.00 3.38 -0.74 -2.79 115.31 113.74 2ctl h LEU 14 Ca -0.33 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 2ctl h LEU 14 Cb 2.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2ctl h LEU 14 CO 0.13 0.26 -0.22 0.08 0.09 0.00 0.00 178.44 178.78 2ctl h ARG 15 N -0.16 0.00 -0.93 1.13 0.11 -1.35 -2.40 114.38 110.78 2ctl h ARG 15 Ca 0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.99 2ctl h ARG 15 Cb 0.23 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.25 2ctl h ARG 15 CO 0.00 0.22 0.13 0.45 0.10 0.00 0.00 179.97 180.87 2ctl n SER 16 N -3.73 3.02 -4.68 0.08 2.88 -1.06 -3.49 113.62 106.64 2ctl n SER 16 Ca -0.01 -2.47 -0.40 0.00 -1.33 0.00 0.00 58.87 54.66 2ctl n SER 16 Cb 0.33 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.14 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ctl s PHE 17 N -1.39 3.44 -0.15 0.66 2.19 -0.90 -4.98 117.98 116.85 2ctl s PHE 17 Ca 0.20 1.03 -0.02 0.00 0.33 0.00 0.00 56.93 58.46 2ctl s PHE 17 Cb 0.16 -2.79 -0.02 0.00 -1.31 0.00 0.00 43.02 39.06 2ctl s PHE 17 CO 0.05 -0.08 -0.07 0.21 1.83 0.00 0.00 175.22 177.15 2ctl s LYS 18 N 1.53 3.55 0.15 10.12 2.20 -1.26 -2.40 119.74 133.63 2ctl s LYS 18 Ca 0.31 -0.59 0.10 0.00 -0.36 0.00 0.00 55.97 55.43 2ctl s LYS 18 Cb -0.16 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 2ctl s LYS 18 CO 0.12 0.22 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.99 2ctl s LEU 19 N 0.39 2.71 -0.17 5.43 2.96 -0.21 -4.96 118.68 124.83 2ctl s LEU 19 Ca -0.07 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2ctl s LEU 19 Cb -0.15 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.09 2ctl s LEU 19 CO 0.04 0.14 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.16 2ctl s SER 20 N -2.48 2.97 -0.17 3.68 1.04 -1.25 -1.78 113.70 115.71 2ctl s SER 20 Ca 0.21 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.85 2ctl s SER 20 Cb -0.09 -1.14 -0.05 0.00 0.10 0.00 0.00 66.02 64.83 2ctl s SER 20 CO 0.11 -0.12 0.23 -0.69 0.98 0.00 0.00 173.24 173.76 2ctl s VAL 21 N 1.48 5.35 -0.67 5.02 1.01 -0.29 -4.83 120.40 127.47 2ctl s VAL 21 Ca 0.02 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 2ctl s VAL 21 Cb -0.15 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.78 2ctl s VAL 21 CO -0.09 0.42 0.81 -0.89 0.00 0.00 0.00 175.10 175.36 2ctl s THR 22 N 0.33 4.78 -0.07 3.92 2.01 -1.26 -0.71 115.64 124.64 2ctl s THR 22 Ca 0.13 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2ctl s THR 22 Cb -0.12 -4.56 0.04 0.00 0.01 0.00 0.00 72.50 67.86 2ctl s THR 22 CO 0.02 -1.23 0.14 -0.69 -0.69 0.00 0.00 174.62 172.17 2ctl s VAL 23 N 2.74 -0.11 0.35 3.82 1.01 0.80 -5.03 120.40 123.98 2ctl s VAL 23 Ca 0.17 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2ctl s VAL 23 Cb -0.19 -0.25 -0.15 0.00 0.00 0.00 0.00 36.38 35.80 2ctl s VAL 23 CO 0.04 0.10 0.49 0.47 0.00 0.00 0.00 175.10 176.19 2ctl n ASP 24 N 4.52 -1.17 0.00 3.32 8.00 -1.26 -4.26 116.55 125.70 2ctl n ASP 24 Ca -0.21 0.97 0.07 0.00 0.71 0.00 0.00 54.79 56.34 2ctl n ASP 24 Cb 0.51 -1.04 0.40 0.00 -0.02 0.00 0.00 41.12 40.97 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ctl n PRO 25 N 0.88 0.31 0.17 -0.24 -0.04 -1.26 -2.38 135.00 132.44 2ctl n PRO 25 Ca 0.13 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2ctl n PRO 25 Cb 0.35 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2ctl n PRO 25 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2ctl h LYS 26 N 0.00 0.00 0.00 0.54 2.10 -1.91 -3.25 116.57 114.05 2ctl h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ctl h LYS 26 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2ctl h LYS 26 CO 0.00 0.34 -1.47 0.66 -2.00 0.00 0.00 179.45 176.97 2ctl n TYR 27 N -3.20 0.00 -0.00 0.07 4.01 -1.00 -4.47 117.16 112.57 2ctl n TYR 27 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 2ctl n TYR 27 Cb 0.65 -0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 39.33 2ctl n TYR 27 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ctl h HIS 28 N 0.00 -1.61 0.00 -0.72 3.86 -1.58 0.20 115.15 115.30 2ctl h HIS 28 Ca 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2ctl h HIS 28 Cb 0.72 0.72 0.00 0.00 1.06 0.00 0.00 27.41 29.91 2ctl h HIS 28 CO 0.00 -0.55 0.00 -0.35 0.86 0.00 0.00 177.93 177.89 2ctl n PRO 29 N -5.41 0.20 -0.01 2.45 -0.04 -1.26 -2.31 135.00 128.61 2ctl n PRO 29 Ca -0.06 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2ctl n PRO 29 Cb 0.38 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2ctl n PRO 29 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ctl n LYS 30 N -1.30 0.63 0.11 0.54 4.76 0.51 -4.15 118.16 119.26 2ctl n LYS 30 Ca 0.07 0.26 -0.23 0.00 -2.87 0.00 0.00 58.31 55.53 2ctl n LYS 30 Cb 0.12 -1.78 -0.14 0.00 -1.84 0.00 0.00 35.03 31.39 2ctl n LYS 30 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2ctl h ILE 31 N 0.00 1.28 -0.27 -0.18 2.04 -0.63 -3.34 117.51 116.41 2ctl h ILE 31 Ca -0.26 -2.53 0.06 0.00 1.00 0.00 0.00 64.86 63.13 2ctl h ILE 31 Cb 1.90 2.80 -0.08 0.00 -0.74 0.00 0.00 36.82 40.70 2ctl h ILE 31 CO 0.07 0.77 -0.40 0.40 0.00 0.00 0.00 178.15 178.98 2ctl h ILE 32 N 0.24 0.16 0.00 -0.67 2.04 -1.71 -3.32 117.51 114.25 2ctl h ILE 32 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2ctl h ILE 32 Cb 2.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2ctl h ILE 32 CO 0.25 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.01 2ctl n GLY 33 N -1.42 1.39 0.21 5.37 0.00 -1.26 -2.41 105.19 107.07 2ctl n GLY 33 Ca -0.02 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.71 2ctl n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ctl h ARG 34 N 0.00 -0.22 0.00 1.61 3.08 -1.92 -3.32 114.38 113.62 2ctl h ARG 34 Ca 0.00 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.75 2ctl h ARG 34 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2ctl h ARG 34 CO 0.00 -0.15 -2.21 1.17 -1.07 0.00 0.00 179.97 177.71 2ctl n LYS 35 N -3.86 1.10 0.00 0.04 4.81 -1.26 -5.00 118.16 113.99 2ctl n LYS 35 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2ctl n LYS 35 Cb 0.16 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctl n GLY 36 N 1.90 1.07 0.10 3.14 0.00 -1.25 -5.06 105.19 105.09 2ctl n GLY 36 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl h ALA 37 N 0.00 0.14 -0.65 4.61 0.00 -1.89 -3.28 119.26 118.19 2ctl h ALA 37 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 54.91 54.04 2ctl h ALA 37 Cb 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2ctl h ALA 37 CO 0.00 0.51 -0.56 0.28 0.00 0.00 0.00 179.25 179.49 2ctl h VAL 38 N -0.76 0.01 -0.52 0.00 2.07 -1.86 0.28 116.25 115.47 2ctl h VAL 38 Ca -0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.38 2ctl h VAL 38 Cb 1.37 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2ctl h VAL 38 CO -0.05 0.00 0.13 -0.29 0.02 0.00 0.00 177.57 177.38 2ctl h ILE 39 N -0.23 0.74 -0.87 4.57 6.09 -1.58 -1.48 117.51 124.76 2ctl h ILE 39 Ca 0.12 -0.10 0.20 0.00 -1.37 0.00 0.00 64.86 63.71 2ctl h ILE 39 Cb 0.53 0.44 -0.12 0.00 0.47 0.00 0.00 36.82 38.14 2ctl h ILE 39 CO -0.74 0.05 0.37 0.74 -3.07 0.00 0.00 178.15 175.50 2ctl h THR 40 N 0.28 0.52 -0.52 2.19 2.02 -1.05 0.99 112.91 117.34 2ctl h THR 40 Ca 0.26 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.35 2ctl h THR 40 Cb 0.34 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 2ctl h THR 40 CO -0.32 0.08 0.24 -0.61 0.37 0.00 0.00 175.52 175.28 2ctl h GLN 41 N 0.42 0.44 -0.34 6.66 5.75 -0.27 0.47 115.11 128.25 2ctl h GLN 41 Ca 0.52 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.90 2ctl h GLN 41 Cb 0.94 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 2ctl h GLN 41 CO -0.50 0.29 -0.18 0.82 -2.65 0.00 0.00 178.83 176.62 2ctl h ILE 42 N 0.46 1.29 -0.27 2.39 2.04 -0.83 0.10 117.51 122.68 2ctl h ILE 42 Ca 0.24 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.82 2ctl h ILE 42 Cb 0.20 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2ctl h ILE 42 CO -0.20 0.42 0.14 0.03 0.00 0.00 0.00 178.15 178.55 2ctl h ARG 43 N 0.50 0.28 -0.38 2.37 3.08 -0.47 -2.44 114.38 117.32 2ctl h ARG 43 Ca 0.07 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2ctl h ARG 43 Cb 0.72 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2ctl h ARG 43 CO 0.05 0.19 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.68 2ctl h LEU 44 N 0.29 0.99 -0.11 3.04 3.38 -0.91 0.45 115.31 122.45 2ctl h LEU 44 Ca 0.11 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2ctl h LEU 44 Cb 0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2ctl h LEU 44 CO -0.07 1.26 -0.50 -0.08 0.09 0.00 0.00 178.44 179.14 2ctl h GLU 45 N 0.76 -0.55 -0.44 1.13 4.57 -0.67 -1.10 114.58 118.28 2ctl h GLU 45 Ca 0.06 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2ctl h GLU 45 Cb 0.99 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2ctl h GLU 45 CO 0.10 -0.36 0.00 0.72 -1.18 0.00 0.00 179.01 178.28 2ctl n HIS 46 N -5.44 0.58 -3.98 0.92 8.25 -0.95 -4.94 115.22 109.66 2ctl n HIS 46 Ca -0.06 -0.29 -0.28 0.00 -0.26 0.00 0.00 57.72 56.84 2ctl n HIS 46 Cb 0.38 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 2ctl n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2ctl n ASP 47 N 0.93 -0.82 -4.35 0.41 9.92 0.77 -4.74 116.55 118.68 2ctl n ASP 47 Ca 0.17 -1.06 -0.18 0.00 -0.53 0.00 0.00 54.79 53.19 2ctl n ASP 47 Cb 0.43 -2.82 -0.10 0.00 -0.64 0.00 0.00 41.12 37.99 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ctl s VAL 48 N -3.95 1.69 -0.32 2.53 -7.23 0.12 -4.89 120.40 108.35 2ctl s VAL 48 Ca 0.07 -2.19 -0.13 0.00 -1.81 0.00 0.00 61.98 57.92 2ctl s VAL 48 Cb -0.03 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2ctl s VAL 48 CO 0.91 -0.58 0.28 0.21 -0.31 0.00 0.00 175.10 175.60 2ctl s ASN 49 N -3.32 6.10 -0.32 4.85 2.47 -0.95 -4.54 114.94 119.24 2ctl s ASN 49 Ca 0.23 -0.21 -0.04 0.00 0.42 0.00 0.00 52.86 53.25 2ctl s ASN 49 Cb -0.00 -2.16 0.04 0.00 -1.45 0.00 0.00 41.25 37.69 2ctl s ASN 49 CO 0.07 -0.22 0.05 -0.63 -3.72 0.00 0.00 177.10 172.65 2ctl s ILE 50 N 1.85 3.39 -0.06 -5.21 1.01 -1.26 -1.92 121.20 118.99 2ctl s ILE 50 Ca 0.09 -1.25 0.05 0.00 0.00 0.00 0.00 60.65 59.54 2ctl s ILE 50 Cb -0.17 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2ctl s ILE 50 CO 0.11 -0.14 -0.22 -1.58 0.00 0.00 0.00 174.94 173.11 2ctl s GLN 51 N 1.33 2.43 0.14 2.79 0.74 -0.80 -5.06 119.66 121.23 2ctl s GLN 51 Ca -0.03 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 2ctl s GLN 51 Cb -0.20 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.86 2ctl s GLN 51 CO 0.01 0.29 0.31 -0.06 -0.55 0.00 0.00 175.29 175.29 2ctl s PHE 52 N 0.02 3.49 0.93 1.67 0.08 -1.26 -2.45 117.98 120.46 2ctl s PHE 52 Ca -0.07 0.31 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 2ctl s PHE 52 Cb -0.14 -1.81 0.15 0.00 -0.57 0.00 0.00 43.02 40.64 2ctl s PHE 52 CO 0.04 0.48 1.09 -1.25 -0.10 0.00 0.00 175.22 175.49 2ctl s PRO 53 N -2.92 1.02 -0.17 0.24 0.04 -1.26 -4.99 135.00 126.95 2ctl s PRO 53 Ca 0.37 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2ctl s PRO 53 Cb -0.12 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2ctl s PRO 53 CO 0.28 -2.38 -0.06 0.34 0.04 0.00 0.00 177.00 175.21 2ctl s ASP 54 N -3.43 4.43 0.26 6.66 -1.08 -1.26 -4.98 116.67 117.26 2ctl s ASP 54 Ca 0.64 -0.28 -0.05 0.00 -0.52 0.00 0.00 52.55 52.34 2ctl s ASP 54 Cb -0.18 -1.73 0.30 0.00 -1.46 0.00 0.00 42.92 39.86 2ctl s ASP 54 CO 0.57 0.09 1.94 0.11 0.52 0.00 0.00 175.17 178.40 2ctl h LYS 55 N 7.25 1.27 -0.73 4.34 1.57 -1.95 -2.39 116.57 125.93 2ctl h LYS 55 Ca -0.34 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.48 2ctl h LYS 55 Cb 1.19 -0.29 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 2ctl h LYS 55 CO 0.60 0.84 0.34 -0.44 -0.57 0.00 0.00 179.45 180.22 2ctl h ASP 56 N 1.31 0.39 0.10 0.86 3.32 -1.99 -2.64 116.42 117.78 2ctl h ASP 56 Ca 0.36 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.50 2ctl h ASP 56 Cb -0.14 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2ctl h ASP 56 CO -0.08 0.20 -0.49 -0.78 -1.72 0.00 0.00 179.24 176.37 2ctl h ASP 57 N 0.54 -1.48 0.00 6.45 1.82 -1.81 -3.46 116.42 118.48 2ctl h ASP 57 Ca 0.38 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2ctl h ASP 57 Cb 0.49 0.55 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2ctl h ASP 57 CO -0.33 -0.51 0.00 0.61 -1.61 0.00 0.00 179.24 177.40 2ctl n GLY 58 N -1.44 2.22 0.38 -0.78 0.00 -1.00 -4.62 105.19 99.95 2ctl n GLY 58 Ca -0.08 -0.27 0.32 0.00 0.00 0.00 0.00 46.02 45.99 2ctl n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ctl n ASN 59 N 4.51 0.15 -4.86 1.61 4.13 -1.26 -4.24 115.26 115.30 2ctl n ASN 59 Ca 0.00 1.05 -0.32 0.00 1.68 0.00 0.00 54.58 57.00 2ctl n ASN 59 Cb 0.00 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 37.67 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ctl s GLN 60 N -4.85 3.91 0.22 3.52 -0.21 -1.26 -5.04 119.66 115.95 2ctl s GLN 60 Ca -0.06 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.59 2ctl s GLN 60 Cb 0.24 -2.44 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 2ctl s GLN 60 CO 0.64 0.12 1.29 -1.25 -2.12 0.00 0.00 175.29 173.97 2ctl s PRO 61 N -3.22 4.40 0.08 2.91 0.04 -1.26 -4.94 135.00 133.02 2ctl s PRO 61 Ca 0.52 2.05 0.22 0.00 0.04 0.00 0.00 61.00 63.84 2ctl s PRO 61 Cb -0.10 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 2ctl s PRO 61 CO 0.22 -0.21 0.82 1.04 0.04 0.00 0.00 177.00 178.91 2ctl n GLN 62 N 2.35 0.56 0.02 4.56 1.13 -1.26 -4.03 117.38 120.72 2ctl n GLN 62 Ca 0.05 -0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.20 2ctl n GLN 62 Cb 0.43 -1.66 0.09 0.00 0.11 0.00 0.00 30.24 29.20 2ctl n GLN 62 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ctl n ASP 63 N -2.38 0.64 -4.78 1.08 5.75 -1.26 -4.13 116.55 111.47 2ctl n ASP 63 Ca -0.01 -0.28 -0.38 0.00 -0.01 0.00 0.00 54.79 54.11 2ctl n ASP 63 Cb 0.53 0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 41.16 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2ctl s GLN 64 N -3.11 4.15 -0.14 0.11 -1.52 -1.25 -0.14 119.66 117.74 2ctl s GLN 64 Ca 0.07 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 53.97 2ctl s GLN 64 Cb 0.15 -3.31 -0.01 0.00 -0.22 0.00 0.00 33.01 29.62 2ctl s GLN 64 CO 0.77 0.47 -0.12 0.42 -0.25 0.00 0.00 175.29 176.57 2ctl s ILE 65 N -0.40 3.04 -0.18 1.08 1.01 0.11 -4.22 121.20 121.64 2ctl s ILE 65 Ca 0.26 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 2ctl s ILE 65 Cb -0.17 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2ctl s ILE 65 CO 0.13 0.51 0.48 -0.89 0.00 0.00 0.00 174.94 175.18 2ctl s THR 66 N 0.52 5.15 -0.08 2.92 2.01 -1.02 -1.14 115.64 123.99 2ctl s THR 66 Ca -0.08 0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.81 2ctl s THR 66 Cb -0.16 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.57 2ctl s THR 66 CO 0.04 0.24 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 2ctl s ILE 67 N 1.27 0.66 0.06 1.82 1.01 -0.74 -1.90 121.20 123.38 2ctl s ILE 67 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2ctl s ILE 67 Cb -0.15 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2ctl s ILE 67 CO 0.09 0.30 0.13 -0.89 0.00 0.00 0.00 174.94 174.58 2ctl s THR 68 N 1.74 4.90 -5.00 2.92 2.01 -0.81 -1.04 115.64 120.36 2ctl s THR 68 Ca 0.03 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ctl s THR 68 Cb -0.13 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2ctl s THR 68 CO -0.06 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2ctl n GLY 69 N 0.45 1.02 3.67 4.40 0.00 -1.01 -2.23 105.19 111.49 2ctl n GLY 69 Ca -0.08 -1.94 -0.45 0.00 0.00 0.00 0.00 46.02 43.56 2ctl n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ctl n TYR 70 N 1.65 2.40 -0.48 1.61 4.02 -1.25 -3.90 117.16 121.22 2ctl n TYR 70 Ca 0.00 -0.19 0.38 0.00 -0.01 0.00 0.00 57.90 58.07 2ctl n TYR 70 Cb 0.00 -2.74 0.60 0.00 -0.02 0.00 0.00 39.34 37.18 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2ctl n GLU 71 N 7.17 -0.01 0.09 -0.72 2.13 -1.25 -0.08 120.64 127.97 2ctl n GLU 71 Ca 0.22 0.91 -0.04 0.00 0.66 0.00 0.00 57.16 58.90 2ctl n GLU 71 Cb 0.35 -1.95 -0.02 0.00 0.27 0.00 0.00 31.44 30.09 2ctl n GLU 71 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2ctl h LYS 72 N 0.00 -0.26 -0.07 5.31 1.79 -1.94 -3.08 116.57 118.33 2ctl h LYS 72 Ca 0.72 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 59.25 2ctl h LYS 72 Cb 2.65 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 33.31 2ctl h LYS 72 CO -0.16 -0.17 -0.34 -0.91 -1.08 0.00 0.00 179.45 176.79 2ctl h ASN 73 N -0.62 -1.04 -0.90 0.86 4.21 -0.82 -2.01 115.58 115.27 2ctl h ASN 73 Ca -0.03 0.14 0.18 0.00 1.21 0.00 0.00 56.30 57.80 2ctl h ASN 73 Cb 0.21 0.43 -0.17 0.00 -1.12 0.00 0.00 38.32 37.66 2ctl h ASN 73 CO 0.04 -0.39 -0.24 0.71 -1.29 0.00 0.00 177.43 176.27 2ctl h THR 74 N -0.45 0.09 -0.82 2.81 1.35 -1.09 0.87 112.91 115.66 2ctl h THR 74 Ca 0.08 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.95 2ctl h THR 74 Cb 0.57 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.04 2ctl h THR 74 CO -0.32 0.00 0.54 -0.33 -0.25 0.00 0.00 175.52 175.16 2ctl h GLU 75 N -0.01 1.05 -0.11 4.72 4.39 -1.29 0.51 114.58 123.84 2ctl h GLU 75 Ca 0.42 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.98 2ctl h GLU 75 Cb 0.65 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2ctl h GLU 75 CO -0.93 0.69 -0.25 0.00 -1.16 0.00 0.00 179.01 177.36 2ctl h ALA 76 N 1.50 1.37 0.01 3.43 0.00 0.12 -1.95 119.26 123.74 2ctl h ALA 76 Ca 0.31 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 2ctl h ALA 76 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2ctl h ALA 76 CO -0.08 0.44 -1.51 0.00 0.00 0.00 0.00 179.25 178.11 2ctl h ALA 77 N 1.56 0.63 0.00 0.00 0.00 0.02 -3.32 119.26 118.15 2ctl h ALA 77 Ca 0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 54.91 53.60 2ctl h ALA 77 Cb 0.55 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2ctl h ALA 77 CO 0.04 1.47 -0.22 0.07 0.00 0.00 0.00 179.25 180.61 2ctl h ARG 78 N 0.00 0.00 -0.10 0.00 -0.00 0.18 -2.89 114.38 111.58 2ctl h ARG 78 Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.67 2ctl h ARG 78 Cb 1.95 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.90 2ctl h ARG 78 CO 0.10 0.22 -0.40 0.22 -0.00 0.00 0.00 179.97 180.10 2ctl h ASP 79 N 0.00 0.23 0.44 0.08 1.82 -1.46 -3.24 116.42 114.29 2ctl h ASP 79 Ca -0.00 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 2ctl h ASP 79 Cb 0.74 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.69 2ctl h ASP 79 CO 0.03 0.61 -0.21 0.00 -1.61 0.00 0.00 179.24 178.06 2ctl h ALA 80 N 1.40 -0.59 -1.19 -0.78 0.00 -1.66 -1.23 119.26 115.21 2ctl h ALA 80 Ca 0.02 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.19 2ctl h ALA 80 Cb 0.80 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 2ctl h ALA 80 CO 0.06 -0.67 0.71 0.82 0.00 0.00 0.00 179.25 180.17 2ctl h ILE 81 N -0.90 0.01 0.00 0.00 2.04 -1.60 0.29 117.51 117.36 2ctl h ILE 81 Ca -0.06 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2ctl h ILE 81 Cb 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2ctl h ILE 81 CO 0.10 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.15 2ctl h LEU 82 N 0.01 0.02 -0.92 1.44 3.38 -1.59 -3.18 115.31 114.46 2ctl h LEU 82 Ca 0.86 -0.97 0.25 0.00 0.09 0.00 0.00 57.88 58.11 2ctl h LEU 82 Cb 2.52 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 43.10 2ctl h LEU 82 CO -0.62 0.99 0.07 -0.09 0.09 0.00 0.00 178.44 178.88 2ctl h ARG 83 N -0.95 0.06 0.78 1.13 2.43 0.80 -0.91 114.38 117.72 2ctl h ARG 83 Ca -0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2ctl h ARG 83 Cb 1.00 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2ctl h ARG 83 CO 0.01 0.04 -0.38 0.82 -1.51 0.00 0.00 179.97 178.95 2ctl h ILE 84 N 0.06 0.07 -0.70 1.20 2.04 -1.42 -3.23 117.51 115.54 2ctl h ILE 84 Ca 0.56 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 66.30 2ctl h ILE 84 Cb 1.13 0.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 2ctl h ILE 84 CO -0.82 0.01 -0.35 0.52 0.00 0.00 0.00 178.15 177.51 2ctl n VAL 85 N -5.48 -0.43 -0.31 1.67 0.31 -0.38 0.14 118.33 113.85 2ctl n VAL 85 Ca -0.13 1.67 0.16 0.00 -0.01 0.00 0.00 64.34 66.02 2ctl n VAL 85 Cb 0.42 -2.13 0.32 0.00 -0.91 0.00 0.00 33.84 31.55 2ctl n VAL 85 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ctl h GLY 86 N 0.00 1.43 0.49 2.92 0.00 -1.47 -1.18 103.07 105.25 2ctl h GLY 86 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2ctl h GLY 86 CO -0.68 -0.47 -0.15 0.83 0.00 0.00 0.00 176.54 176.08 2ctl h GLU 87 N 0.12 -0.40 -1.52 4.80 4.39 0.12 -3.16 114.58 118.94 2ctl h GLU 87 Ca 0.60 0.03 0.50 0.00 0.34 0.00 0.00 59.36 60.82 2ctl h GLU 87 Cb 1.28 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.90 2ctl h GLU 87 CO -0.76 -0.07 1.02 1.28 -1.16 0.00 0.00 179.01 179.32 2ctl n LEU 88 N -5.07 0.15 0.05 1.33 4.77 -0.52 0.99 117.00 118.69 2ctl n LEU 88 Ca -0.08 1.25 -0.13 0.00 -0.03 0.00 0.00 56.01 57.02 2ctl n LEU 88 Cb 0.26 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2ctl n LEU 88 CO 0.25 -1.34 0.71 -0.33 -1.33 0.00 0.00 177.39 175.36 2ctl h GLU 89 N 0.00 -0.09 -0.63 3.23 5.08 -1.33 -2.93 114.58 117.91 2ctl h GLU 89 Ca 0.88 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 59.36 2ctl h GLU 89 Cb 3.04 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 32.23 2ctl h GLU 89 CO -0.33 0.17 0.16 1.96 -1.00 0.00 0.00 179.01 179.97 2ctl h GLN 90 N -0.35 0.28 0.24 2.33 7.50 0.59 -2.55 115.11 123.15 2ctl h GLN 90 Ca -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2ctl h GLN 90 Cb 0.31 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.74 2ctl h GLN 90 CO 0.02 0.19 -0.49 0.52 -1.50 0.00 0.00 178.83 177.56 2ctl h MET 91 N 0.29 -0.77 -5.42 1.46 2.86 -1.40 -3.35 114.93 108.60 2ctl h MET 91 Ca 0.33 0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 57.40 2ctl h MET 91 Cb 0.50 0.18 -0.13 0.00 0.06 0.00 0.00 31.60 32.20 2ctl h MET 91 CO -0.40 -0.51 0.08 0.45 1.06 0.00 0.00 176.91 177.59 2ctl s SER 92 N -4.42 6.42 -0.09 1.22 0.15 -0.96 -4.58 113.70 111.45 2ctl s SER 92 Ca -0.16 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 2ctl s SER 92 Cb 0.05 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2ctl s SER 92 CO 0.57 -0.49 0.08 0.61 1.20 0.00 0.00 173.24 175.20 2ctl n GLY 93 N 4.59 -1.90 0.28 9.45 0.00 -1.26 -4.74 105.19 111.60 2ctl n GLY 93 Ca -0.02 0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.26 2ctl n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctl h PRO 94 N 0.61 0.00 -6.47 1.61 0.13 -1.81 -3.43 132.00 122.64 2ctl h PRO 94 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2ctl h PRO 94 Cb 0.14 0.00 0.22 0.00 0.13 0.00 0.00 31.00 31.49 2ctl h PRO 94 CO 0.04 0.01 -1.07 0.43 -0.23 0.00 0.00 178.00 177.18 2ctl n SER 95 N -3.11 -3.61 0.01 1.44 7.64 -1.26 -4.97 113.62 109.76 2ctl n SER 95 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2ctl n SER 95 Cb 0.30 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2ctl n SER 95 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ctl n SER 96 N 0.61 0.07 0.00 6.43 2.88 -1.26 -5.07 113.62 117.27 2ctl n SER 96 Ca 0.03 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2ctl n SER 96 Cb 0.54 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2ctl n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42