#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 6.34 0.09 1.61 0.15 -1.26 -5.03 113.70 115.61 2ctl s SER 2 Ca 0.00 0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.74 2ctl s SER 2 Cb 0.00 -1.97 -0.08 0.00 -1.71 0.00 0.00 66.02 62.26 2ctl s SER 2 CO 0.00 -0.11 1.38 -1.28 1.20 0.00 0.00 173.24 174.43 2ctl h SER 3 N 1.50 -1.30 -0.99 5.45 0.87 -2.11 -3.37 113.55 113.59 2ctl h SER 3 Ca -0.49 0.17 -0.39 0.00 -1.23 0.00 0.00 61.79 59.85 2ctl h SER 3 Cb 1.21 0.53 -0.26 0.00 -0.44 0.00 0.00 62.40 63.43 2ctl h SER 3 CO 0.65 -0.28 -0.80 0.61 -0.53 0.00 0.00 176.83 176.48 2ctl n GLY 4 N -1.26 1.44 3.48 5.77 0.00 -1.26 -5.09 105.19 108.27 2ctl n GLY 4 Ca -0.02 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 1.51 1.10 -4.79 1.61 3.41 -1.26 -4.90 113.62 110.31 2ctl n SER 5 Ca 0.15 0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.55 2ctl n SER 5 Cb 0.58 -1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 2ctl n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ctl s SER 6 N 9.21 5.63 0.00 4.04 0.01 -1.26 -5.02 113.70 126.32 2ctl s SER 6 Ca 1.21 0.07 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2ctl s SER 6 Cb -0.97 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2ctl s SER 6 CO 0.45 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.93 2ctl n GLY 7 N 0.76 3.05 0.10 3.44 0.00 -1.26 -5.06 105.19 106.21 2ctl n GLY 7 Ca -0.10 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 2ctl n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctl n GLU 8 N 0.97 0.52 -4.26 1.61 4.71 -1.26 -4.97 120.64 117.96 2ctl n GLU 8 Ca 0.00 0.39 -0.32 0.00 -0.01 0.00 0.00 57.16 57.22 2ctl n GLU 8 Cb 0.00 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 28.76 2ctl n GLU 8 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2ctl n GLN 9 N -4.47 -0.88 -1.22 3.49 -0.06 -1.26 -4.75 117.38 108.23 2ctl n GLN 9 Ca -0.23 0.10 -0.21 0.00 -2.00 0.00 0.00 57.00 54.66 2ctl n GLN 9 Cb 0.54 -3.67 -0.12 0.00 -4.06 0.00 0.00 30.24 22.93 2ctl n GLN 9 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2ctl n GLU 10 N -4.23 2.47 0.08 3.69 -0.58 -1.26 -4.37 120.64 116.44 2ctl n GLU 10 Ca -0.19 -1.62 -0.12 0.00 -0.42 0.00 0.00 57.16 54.80 2ctl n GLU 10 Cb 0.59 -2.18 -0.13 0.00 -0.57 0.00 0.00 31.44 29.15 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2ctl h ASP 11 N 3.36 0.24 -0.94 1.62 2.03 -1.98 -2.68 116.42 118.06 2ctl h ASP 11 Ca 0.36 -0.27 0.23 0.00 -0.73 0.00 0.00 57.03 56.61 2ctl h ASP 11 Cb 1.09 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.45 2ctl h ASP 11 CO 0.66 1.22 0.62 0.08 -1.03 0.00 0.00 179.24 180.80 2ctl h ARG 12 N 0.04 0.35 0.05 4.15 0.11 -1.98 0.59 114.38 117.69 2ctl h ARG 12 Ca -0.11 -0.02 -0.33 0.00 0.10 0.00 0.00 59.98 59.62 2ctl h ARG 12 Cb 1.90 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 32.87 2ctl h ARG 12 CO 0.17 0.23 -1.86 0.00 0.10 0.00 0.00 179.97 178.60 2ctl n ALA 13 N -2.53 0.96 -0.15 0.08 0.00 -1.24 -4.16 120.51 113.47 2ctl n ALA 13 Ca 0.21 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 2ctl n ALA 13 Cb 0.77 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.81 2ctl n ALA 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ctl h LEU 14 N -0.48 -0.34 -2.09 0.00 3.38 -1.07 0.49 115.31 115.19 2ctl h LEU 14 Ca -0.46 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ctl h LEU 14 Cb 1.69 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2ctl h LEU 14 CO -0.11 -0.12 0.03 0.08 0.09 0.00 0.00 178.44 178.41 2ctl h ARG 15 N 0.05 0.00 -1.44 1.13 0.11 -1.10 -2.22 114.38 110.90 2ctl h ARG 15 Ca 0.24 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.86 2ctl h ARG 15 Cb 0.36 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.25 2ctl h ARG 15 CO -0.45 0.00 0.56 0.45 0.10 0.00 0.00 179.97 180.63 2ctl n SER 16 N -2.63 6.86 -4.43 0.08 2.88 0.17 -3.70 113.62 112.85 2ctl n SER 16 Ca -0.02 -3.31 -0.36 0.00 -1.33 0.00 0.00 58.87 53.86 2ctl n SER 16 Cb 0.08 -1.05 -0.13 0.00 -0.75 0.00 0.00 64.21 62.36 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 -2.44 3.05 -0.21 0.66 2.19 -0.84 -5.02 117.98 115.38 2ctl s PHE 17 Ca 0.44 -0.51 -0.06 0.00 0.33 0.00 0.00 56.93 57.13 2ctl s PHE 17 Cb 0.34 -2.15 -0.03 0.00 -1.31 0.00 0.00 43.02 39.87 2ctl s PHE 17 CO -0.04 -0.33 0.02 0.21 1.83 0.00 0.00 175.22 176.92 2ctl s LYS 18 N 1.31 3.68 0.17 10.12 2.20 -1.26 -2.66 119.74 133.29 2ctl s LYS 18 Ca 0.04 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2ctl s LYS 18 Cb -0.15 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2ctl s LYS 18 CO 0.02 0.02 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.83 2ctl s LEU 19 N 1.02 3.27 -0.17 5.43 2.96 0.19 -4.95 118.68 126.43 2ctl s LEU 19 Ca 0.03 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2ctl s LEU 19 Cb -0.14 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.65 2ctl s LEU 19 CO 0.02 0.10 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.16 2ctl s SER 20 N -2.85 2.85 -0.30 3.68 1.04 -1.25 -1.79 113.70 115.08 2ctl s SER 20 Ca 0.27 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 2ctl s SER 20 Cb -0.09 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 2ctl s SER 20 CO 0.18 -0.19 0.30 -0.69 0.98 0.00 0.00 173.24 173.82 2ctl s VAL 21 N 1.64 5.23 -0.55 5.02 1.01 -0.40 -4.84 120.40 127.51 2ctl s VAL 21 Ca 0.01 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 2ctl s VAL 21 Cb -0.15 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2ctl s VAL 21 CO -0.08 0.11 1.20 -0.89 0.00 0.00 0.00 175.10 175.44 2ctl s THR 22 N 1.93 4.04 -0.14 3.92 2.01 -1.26 -1.24 115.64 124.89 2ctl s THR 22 Ca 0.11 0.97 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 2ctl s THR 22 Cb -0.16 -4.67 0.04 0.00 0.01 0.00 0.00 72.50 67.72 2ctl s THR 22 CO 0.11 -1.24 0.37 -0.69 -0.69 0.00 0.00 174.62 172.48 2ctl s VAL 23 N 4.92 -0.01 0.27 3.82 1.01 0.84 -5.02 120.40 126.22 2ctl s VAL 23 Ca 0.45 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 2ctl s VAL 23 Cb -0.08 -0.53 -0.15 0.00 0.00 0.00 0.00 36.38 35.63 2ctl s VAL 23 CO 0.27 0.01 0.92 -0.67 0.00 0.00 0.00 175.10 175.63 2ctl n ASP 24 N 3.31 0.81 0.00 3.32 -0.08 -1.26 -4.17 116.55 118.48 2ctl n ASP 24 Ca -0.16 1.17 0.08 0.00 -1.51 0.00 0.00 54.79 54.36 2ctl n ASP 24 Cb 0.57 -1.22 0.46 0.00 2.34 0.00 0.00 41.12 43.26 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2ctl n PRO 25 N 0.80 0.49 0.04 -0.67 -0.04 -1.26 -2.39 135.00 131.97 2ctl n PRO 25 Ca 0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2ctl n PRO 25 Cb 0.30 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.92 -3.32 116.57 113.97 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2ctl h LYS 26 CO 0.00 0.63 -1.05 0.66 -2.00 0.00 0.00 179.45 177.69 2ctl n TYR 27 N -3.15 0.48 -0.04 0.07 4.01 -1.01 -4.34 117.16 113.18 2ctl n TYR 27 Ca -0.07 0.14 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 2ctl n TYR 27 Cb 0.93 -0.62 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.64 0.00 -0.72 3.86 -1.65 0.27 115.15 115.28 2ctl h HIS 28 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctl h HIS 28 Cb 0.83 0.74 0.00 0.00 1.06 0.00 0.00 27.41 30.04 2ctl h HIS 28 CO 0.00 -0.53 0.00 -0.35 0.86 0.00 0.00 177.93 177.91 2ctl n PRO 29 N -5.39 0.19 0.01 2.45 -0.04 -1.26 -2.25 135.00 128.70 2ctl n PRO 29 Ca -0.05 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2ctl n PRO 29 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.06 0.54 4.76 0.75 -4.29 118.16 119.32 2ctl n LYS 30 Ca 0.07 0.18 -0.21 0.00 -2.87 0.00 0.00 58.31 55.48 2ctl n LYS 30 Cb 0.12 -1.75 -0.15 0.00 -1.84 0.00 0.00 35.03 31.41 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 1.47 -0.85 -0.18 2.04 -0.52 -3.33 117.51 116.12 2ctl h ILE 31 Ca -0.22 -2.55 0.19 0.00 1.00 0.00 0.00 64.86 63.28 2ctl h ILE 31 Cb 1.69 3.17 -0.16 0.00 -0.74 0.00 0.00 36.82 40.78 2ctl h ILE 31 CO 0.05 0.73 -0.12 0.40 0.00 0.00 0.00 178.15 179.21 2ctl h ILE 32 N -0.31 0.17 0.00 -0.67 2.04 -1.72 -3.34 117.51 113.68 2ctl h ILE 32 Ca -0.16 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2ctl h ILE 32 Cb 1.71 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2ctl h ILE 32 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2ctl n GLY 33 N -1.51 2.85 0.38 5.37 0.00 -1.25 -2.85 105.19 108.18 2ctl n GLY 33 Ca 0.15 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2ctl n GLY 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ctl h ARG 34 N 0.00 -0.00 0.01 1.61 9.65 -1.90 -3.10 114.38 120.65 2ctl h ARG 34 Ca 0.00 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.50 2ctl h ARG 34 Cb 0.00 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 2ctl h ARG 34 CO 0.00 -0.00 -2.37 1.17 2.80 0.00 0.00 179.97 181.56 2ctl n LYS 35 N -5.02 0.67 0.00 0.20 3.00 -1.26 -5.01 118.16 110.73 2ctl n LYS 35 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2ctl n LYS 35 Cb 0.23 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.72 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctl n GLY 36 N 2.03 1.24 0.12 3.14 0.00 -1.17 -5.06 105.19 105.49 2ctl n GLY 36 Ca -0.39 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl n ALA 37 N 0.00 0.90 -0.06 4.61 0.00 -1.25 -3.85 120.51 120.86 2ctl n ALA 37 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 2ctl n ALA 37 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2ctl n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ctl h VAL 38 N -0.52 0.00 -0.91 0.00 2.07 -1.87 0.11 116.25 115.14 2ctl h VAL 38 Ca -0.43 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.26 2ctl h VAL 38 Cb 1.66 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 2ctl h VAL 38 CO -0.11 0.00 0.49 -0.29 0.02 0.00 0.00 177.57 177.68 2ctl h ILE 39 N -0.21 0.70 -0.16 4.57 6.09 -1.66 -1.33 117.51 125.50 2ctl h ILE 39 Ca 0.03 -0.22 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 2ctl h ILE 39 Cb 0.31 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 37.55 2ctl h ILE 39 CO -0.29 0.12 -0.03 0.74 -3.07 0.00 0.00 178.15 175.62 2ctl h THR 40 N 0.65 0.85 -0.53 2.19 2.02 -1.26 -0.70 112.91 116.14 2ctl h THR 40 Ca 0.51 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.79 2ctl h THR 40 Cb 0.77 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 2ctl h THR 40 CO -0.38 0.00 -0.09 -0.61 0.37 0.00 0.00 175.52 174.81 2ctl h GLN 41 N 0.01 0.04 -0.25 6.66 -0.00 0.34 -0.92 115.11 120.98 2ctl h GLN 41 Ca 0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 2ctl h GLN 41 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 2ctl h GLN 41 CO -0.16 0.02 0.11 0.82 0.00 0.00 0.00 178.83 179.63 2ctl h ILE 42 N 0.04 1.16 -1.00 2.39 2.04 -1.24 0.28 117.51 121.17 2ctl h ILE 42 Ca 0.26 -0.47 0.17 0.00 1.00 0.00 0.00 64.86 65.82 2ctl h ILE 42 Cb 0.40 1.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.39 2ctl h ILE 42 CO -0.51 0.16 0.62 0.03 0.00 0.00 0.00 178.15 178.45 2ctl h ARG 43 N 0.27 0.79 0.21 2.37 3.08 -0.13 -1.10 114.38 119.87 2ctl h ARG 43 Ca 0.09 -0.05 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 2ctl h ARG 43 Cb 0.15 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.05 2ctl h ARG 43 CO -0.01 0.53 -1.47 -0.07 -1.07 0.00 0.00 179.97 177.88 2ctl h LEU 44 N 0.82 0.68 -0.41 3.04 3.38 -0.90 0.18 115.31 122.10 2ctl h LEU 44 Ca 0.56 -0.77 0.08 0.00 0.09 0.00 0.00 57.88 57.83 2ctl h LEU 44 Cb 0.80 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2ctl h LEU 44 CO -0.35 1.61 -0.04 -0.08 0.09 0.00 0.00 178.44 179.68 2ctl h GLU 45 N 0.12 0.06 -0.00 1.13 4.81 0.68 -1.76 114.58 119.62 2ctl h GLU 45 Ca -0.24 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2ctl h GLU 45 Cb 2.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.47 2ctl h GLU 45 CO 0.24 0.04 -0.61 0.72 -0.73 0.00 0.00 179.01 178.67 2ctl n HIS 46 N -5.24 0.00 -2.81 0.92 8.25 -0.53 -4.96 115.22 110.86 2ctl n HIS 46 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 2ctl n HIS 46 Cb 0.22 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.24 2ctl n HIS 46 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ctl n ASP 47 N -1.13 -5.20 -4.66 0.41 2.03 -0.00 -4.87 116.55 103.13 2ctl n ASP 47 Ca 0.07 -0.21 -0.25 0.00 0.52 0.00 0.00 54.79 54.92 2ctl n ASP 47 Cb 0.36 -4.07 -0.09 0.00 -0.72 0.00 0.00 41.12 36.60 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ctl s VAL 48 N -3.03 2.46 -0.23 5.18 -7.23 0.43 -4.94 120.40 113.05 2ctl s VAL 48 Ca 0.22 -1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2ctl s VAL 48 Cb -0.10 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 2ctl s VAL 48 CO 0.27 -0.12 0.06 0.21 -0.31 0.00 0.00 175.10 175.21 2ctl s ASN 49 N -3.77 5.21 -0.25 4.85 2.47 -0.92 -4.56 114.94 117.98 2ctl s ASN 49 Ca 0.37 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.51 2ctl s ASN 49 Cb 0.02 -1.92 0.04 0.00 -1.45 0.00 0.00 41.25 37.94 2ctl s ASN 49 CO 0.20 0.03 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.89 2ctl s ILE 50 N 1.25 2.56 -0.02 -5.21 1.01 -1.26 -1.48 121.20 118.05 2ctl s ILE 50 Ca 0.05 -1.21 0.06 0.00 0.00 0.00 0.00 60.65 59.55 2ctl s ILE 50 Cb -0.15 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2ctl s ILE 50 CO 0.03 0.16 -0.21 -1.58 0.00 0.00 0.00 174.94 173.34 2ctl s GLN 51 N 1.25 1.77 0.11 2.79 0.74 -0.52 -5.04 119.66 120.75 2ctl s GLN 51 Ca -0.02 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.65 2ctl s GLN 51 Cb -0.17 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 2ctl s GLN 51 CO -0.06 0.45 0.22 -0.06 -0.55 0.00 0.00 175.29 175.29 2ctl s PHE 52 N -0.46 3.43 0.89 1.67 0.40 -1.26 -2.04 117.98 120.61 2ctl s PHE 52 Ca 0.07 0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 2ctl s PHE 52 Cb -0.09 -1.68 0.12 0.00 0.51 0.00 0.00 43.02 41.88 2ctl s PHE 52 CO -0.00 0.55 1.09 -1.25 0.70 0.00 0.00 175.22 176.30 2ctl s PRO 53 N -2.84 1.34 -0.21 0.24 0.04 -1.26 -4.97 135.00 127.35 2ctl s PRO 53 Ca 0.34 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 2ctl s PRO 53 Cb -0.12 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2ctl s PRO 53 CO 0.27 -2.19 0.03 0.34 0.04 0.00 0.00 177.00 175.49 2ctl s ASP 54 N -3.42 5.06 0.15 6.66 -1.08 -1.26 -4.98 116.67 117.80 2ctl s ASP 54 Ca 0.63 -0.15 -0.17 0.00 -0.52 0.00 0.00 52.55 52.34 2ctl s ASP 54 Cb -0.18 -1.88 0.01 0.00 -1.46 0.00 0.00 42.92 39.41 2ctl s ASP 54 CO 0.57 0.06 1.80 0.07 0.52 0.00 0.00 175.17 178.18 2ctl h LYS 55 N 7.55 0.44 -0.82 4.34 2.10 -1.94 -2.52 116.57 125.71 2ctl h LYS 55 Ca -0.36 -0.03 0.17 0.00 -2.00 0.00 0.00 60.65 58.43 2ctl h LYS 55 Cb 1.18 -0.10 -0.11 0.00 -0.90 0.00 0.00 32.23 32.30 2ctl h LYS 55 CO 0.62 0.29 0.32 0.22 -2.00 0.00 0.00 179.45 178.90 2ctl h ASP 56 N 0.45 0.27 -0.15 7.07 3.58 -1.99 -2.40 116.42 123.26 2ctl h ASP 56 Ca 0.14 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.74 2ctl h ASP 56 Cb -0.02 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2ctl h ASP 56 CO -0.05 0.05 -0.33 -0.78 -2.88 0.00 0.00 179.24 175.25 2ctl h ASP 57 N 0.41 -1.08 0.00 2.28 1.82 -1.83 -3.46 116.42 114.57 2ctl h ASP 57 Ca 0.47 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 2ctl h ASP 57 Cb 0.80 0.43 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2ctl h ASP 57 CO -0.47 -0.27 0.00 0.61 -1.61 0.00 0.00 179.24 177.50 2ctl n GLY 58 N -1.25 2.14 0.44 -0.78 0.00 -0.90 -4.65 105.19 100.20 2ctl n GLY 58 Ca -0.03 -0.35 0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 4.34 0.15 -4.87 1.61 4.13 -1.26 -4.25 115.26 115.10 2ctl n ASN 59 Ca 0.00 1.13 -0.31 0.00 1.68 0.00 0.00 54.58 57.08 2ctl n ASN 59 Cb 0.00 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 37.63 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 -4.94 3.82 0.26 3.52 -0.21 -1.26 -5.05 119.66 115.80 2ctl s GLN 60 Ca -0.06 0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 2ctl s GLN 60 Cb 0.26 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 2ctl s GLN 60 CO 0.72 0.20 1.27 -1.25 -2.12 0.00 0.00 175.29 174.10 2ctl s PRO 61 N -3.14 4.43 -0.02 2.91 0.04 -1.26 -4.93 135.00 133.02 2ctl s PRO 61 Ca 0.49 2.06 0.20 0.00 0.04 0.00 0.00 61.00 63.78 2ctl s PRO 61 Cb -0.11 -3.15 -0.22 0.00 0.04 0.00 0.00 34.50 31.05 2ctl s PRO 61 CO 0.23 -0.14 0.53 1.04 0.04 0.00 0.00 177.00 178.70 2ctl n GLN 62 N 1.77 0.65 0.04 4.56 1.13 -1.26 -4.11 117.38 120.16 2ctl n GLN 62 Ca 0.03 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.21 2ctl n GLN 62 Cb 0.43 -1.63 0.27 0.00 0.11 0.00 0.00 30.24 29.41 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 -2.60 0.58 -4.75 1.08 5.75 -1.26 -4.30 116.55 111.05 2ctl n ASP 63 Ca -0.13 0.11 -0.38 0.00 -0.01 0.00 0.00 54.79 54.38 2ctl n ASP 63 Cb 0.79 0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.84 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 -3.10 4.26 -0.18 0.11 -1.52 -1.26 -0.11 119.66 117.86 2ctl s GLN 64 Ca 0.09 0.48 -0.04 0.00 -1.95 0.00 0.00 55.36 53.94 2ctl s GLN 64 Cb 0.15 -3.38 -0.02 0.00 -0.22 0.00 0.00 33.01 29.54 2ctl s GLN 64 CO 0.68 0.30 -0.04 0.42 -0.25 0.00 0.00 175.29 176.40 2ctl s ILE 65 N 0.15 3.69 0.00 1.08 1.01 -0.38 -4.18 121.20 122.58 2ctl s ILE 65 Ca 0.26 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 2ctl s ILE 65 Cb -0.16 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 2ctl s ILE 65 CO 0.12 0.46 0.59 -0.89 0.00 0.00 0.00 174.94 175.22 2ctl s THR 66 N 0.77 4.89 -0.07 2.92 2.01 -0.86 -1.27 115.64 124.03 2ctl s THR 66 Ca -0.02 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.19 2ctl s THR 66 Cb -0.15 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.48 2ctl s THR 66 CO 0.02 0.44 0.14 -0.63 -0.69 0.00 0.00 174.62 173.89 2ctl s ILE 67 N -0.31 -0.15 0.16 1.82 1.01 -0.74 -1.44 121.20 121.55 2ctl s ILE 67 Ca 0.31 0.28 0.05 0.00 0.00 0.00 0.00 60.65 61.29 2ctl s ILE 67 Cb -0.18 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2ctl s ILE 67 CO 0.17 0.12 0.12 -0.89 0.00 0.00 0.00 174.94 174.46 2ctl s THR 68 N 1.75 4.40 -4.17 2.92 2.01 -0.55 -0.64 115.64 121.37 2ctl s THR 68 Ca -0.03 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.87 2ctl s THR 68 Cb -0.12 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2ctl s THR 68 CO -0.05 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 2ctl n GLY 69 N -0.28 0.99 3.68 4.40 0.00 -1.09 -2.16 105.19 110.73 2ctl n GLY 69 Ca -0.08 -2.01 -0.48 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.68 2.31 -0.41 1.61 4.02 -1.26 -3.89 117.16 118.86 2ctl n TYR 70 Ca 0.00 0.07 0.33 0.00 -0.01 0.00 0.00 57.90 58.29 2ctl n TYR 70 Cb 0.00 -2.63 0.54 0.00 -0.02 0.00 0.00 39.34 37.22 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 5.82 -0.02 -0.01 -0.72 2.13 -1.26 -0.34 120.64 126.25 2ctl n GLU 71 Ca 0.21 0.88 -0.00 0.00 0.66 0.00 0.00 57.16 58.90 2ctl n GLU 71 Cb 0.29 -1.83 -0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -0.02 -0.99 5.31 1.79 -1.95 -3.27 116.57 117.43 2ctl h LYS 72 Ca 0.66 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 59.46 2ctl h LYS 72 Cb 2.34 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 32.84 2ctl h LYS 72 CO -0.22 -0.02 0.54 -0.91 -1.08 0.00 0.00 179.45 177.76 2ctl h ASN 73 N -0.41 0.46 0.18 0.86 4.21 -1.10 -1.06 115.58 118.72 2ctl h ASN 73 Ca -0.00 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.71 2ctl h ASN 73 Cb 0.02 0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 2ctl h ASN 73 CO 0.00 -0.16 -0.39 0.71 -1.29 0.00 0.00 177.43 176.31 2ctl h THR 74 N 0.29 0.00 -0.69 2.81 1.35 -0.82 -2.70 112.91 113.16 2ctl h THR 74 Ca 0.73 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.70 2ctl h THR 74 Cb 1.68 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.98 2ctl h THR 74 CO -0.62 0.00 -0.38 -0.33 -0.25 0.00 0.00 175.52 173.94 2ctl h GLU 75 N -0.62 -0.13 -1.40 4.72 5.08 -1.24 0.85 114.58 121.83 2ctl h GLU 75 Ca -0.02 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.76 2ctl h GLU 75 Cb 0.59 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 2ctl h GLU 75 CO -0.16 -0.09 1.00 0.00 -1.00 0.00 0.00 179.01 178.76 2ctl h ALA 76 N 0.98 3.28 0.09 3.43 0.00 -1.29 0.26 119.26 126.01 2ctl h ALA 76 Ca 0.24 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 2ctl h ALA 76 Cb 0.56 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2ctl h ALA 76 CO -0.76 -1.69 -1.79 0.00 0.00 0.00 0.00 179.25 175.01 2ctl h ALA 77 N 1.32 0.38 0.00 0.00 0.00 0.82 -3.36 119.26 118.42 2ctl h ALA 77 Ca 0.67 -1.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2ctl h ALA 77 Cb 2.65 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 21.15 2ctl h ALA 77 CO -0.03 1.14 -0.02 0.07 0.00 0.00 0.00 179.25 180.41 2ctl h ARG 78 N -0.22 0.00 -0.34 0.00 -0.00 0.22 -1.62 114.38 112.42 2ctl h ARG 78 Ca -0.40 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.46 2ctl h ARG 78 Cb 1.84 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.80 2ctl h ARG 78 CO 0.01 0.02 -0.28 0.22 -0.00 0.00 0.00 179.97 179.94 2ctl h ASP 79 N 0.00 0.72 0.69 0.08 1.82 -0.77 -3.25 116.42 115.71 2ctl h ASP 79 Ca -0.00 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.33 2ctl h ASP 79 Cb 0.08 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 39.89 2ctl h ASP 79 CO 0.00 0.97 -0.33 0.00 -1.61 0.00 0.00 179.24 178.27 2ctl h ALA 80 N 1.08 -0.93 -1.17 -0.78 0.00 -1.45 0.85 119.26 116.86 2ctl h ALA 80 Ca 0.07 -0.22 0.44 0.00 0.00 0.00 0.00 54.91 55.21 2ctl h ALA 80 Cb 0.79 0.36 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 2ctl h ALA 80 CO 0.06 -0.97 0.71 -0.89 0.00 0.00 0.00 179.25 178.16 2ctl n ILE 81 N -5.46 -0.32 0.01 0.00 5.41 -1.22 0.34 119.36 118.12 2ctl n ILE 81 Ca -0.13 1.87 -0.20 0.00 1.00 0.00 0.00 62.75 65.29 2ctl n ILE 81 Cb 0.38 -3.05 -0.14 0.00 -0.71 0.00 0.00 39.64 36.12 2ctl n ILE 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ctl h LEU 82 N 0.00 0.33 -1.82 1.39 3.38 -1.55 -3.17 115.31 113.88 2ctl h LEU 82 Ca 0.85 -0.88 0.23 0.00 0.09 0.00 0.00 57.88 58.16 2ctl h LEU 82 Cb 2.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 43.11 2ctl h LEU 82 CO -0.60 1.44 0.72 -0.09 0.09 0.00 0.00 178.44 180.00 2ctl h ARG 83 N -0.48 0.00 0.00 1.13 2.43 0.24 -2.18 114.38 115.52 2ctl h ARG 83 Ca -0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2ctl h ARG 83 Cb 1.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 2ctl h ARG 83 CO 0.07 0.00 -0.04 0.82 -1.51 0.00 0.00 179.97 179.31 2ctl h ILE 84 N 0.00 0.00 -0.88 1.20 2.04 -1.28 -3.35 117.51 115.23 2ctl h ILE 84 Ca 0.37 -0.26 0.33 0.00 1.00 0.00 0.00 64.86 66.31 2ctl h ILE 84 Cb 1.80 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.77 2ctl h ILE 84 CO -0.00 0.00 0.53 0.52 0.00 0.00 0.00 178.15 179.20 2ctl n VAL 85 N -2.76 -0.25 -0.06 1.67 0.31 -1.01 0.14 118.33 116.37 2ctl n VAL 85 Ca -0.01 1.42 -0.08 0.00 -0.01 0.00 0.00 64.34 65.67 2ctl n VAL 85 Cb 0.02 -2.32 -0.02 0.00 -0.91 0.00 0.00 33.84 30.62 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 0.26 1.07 2.92 0.00 -1.55 -1.38 103.07 104.39 2ctl h GLY 86 Ca 0.64 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.77 2ctl h GLY 86 CO -0.46 -0.02 -0.71 1.05 0.00 0.00 0.00 176.54 176.40 2ctl h GLU 87 N 0.12 0.69 -0.17 4.80 4.11 0.11 -3.27 114.58 120.97 2ctl h GLU 87 Ca 0.11 -0.59 0.05 0.00 0.07 0.00 0.00 59.36 59.01 2ctl h GLU 87 Cb 0.12 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2ctl h GLU 87 CO -0.16 1.20 -0.30 -0.07 0.07 0.00 0.00 179.01 179.75 2ctl h LEU 88 N 0.37 -0.93 -0.63 3.06 3.38 -1.05 -0.90 115.31 118.61 2ctl h LEU 88 Ca -0.06 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.19 2ctl h LEU 88 Cb 1.35 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 42.40 2ctl h LEU 88 CO 0.15 -0.33 -0.10 -0.08 0.09 0.00 0.00 178.44 178.16 2ctl h GLU 89 N -0.35 0.04 0.30 1.13 4.22 -1.34 -1.59 114.58 116.99 2ctl h GLU 89 Ca 0.11 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 2ctl h GLU 89 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ctl h GLU 89 CO -0.37 0.02 -0.23 1.96 -2.18 0.00 0.00 179.01 178.22 2ctl h GLN 90 N 0.04 -0.51 -0.95 1.92 4.20 -1.39 -3.05 115.11 115.37 2ctl h GLN 90 Ca 0.31 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.15 2ctl h GLN 90 Cb 0.49 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.27 2ctl h GLN 90 CO -0.61 -0.34 -0.55 -1.33 -0.67 0.00 0.00 178.83 175.33 2ctl n MET 91 N -5.36 -0.41 -1.73 1.46 2.81 -0.43 -4.08 117.12 109.40 2ctl n MET 91 Ca -0.09 1.44 -0.43 0.00 -1.81 0.00 0.00 57.70 56.81 2ctl n MET 91 Cb 0.26 -2.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 2ctl n MET 91 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2ctl s SER 92 N -5.47 5.71 0.00 7.83 0.01 -1.03 -4.64 113.70 116.13 2ctl s SER 92 Ca -0.12 1.85 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2ctl s SER 92 Cb 0.11 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2ctl s SER 92 CO 0.60 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 173.09 2ctl n GLY 93 N 5.48 2.11 3.77 3.44 0.00 -1.26 -4.95 105.19 113.78 2ctl n GLY 93 Ca 0.27 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2ctl n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctl s PRO 94 N -5.00 2.44 -0.11 1.61 0.04 -1.26 -4.98 135.00 127.74 2ctl s PRO 94 Ca 0.00 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.07 2ctl s PRO 94 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2ctl s PRO 94 CO 0.00 -1.51 0.61 -1.12 0.04 0.00 0.00 177.00 175.02 2ctl s SER 95 N -3.13 6.83 0.14 6.66 0.01 -1.26 -4.97 113.70 117.98 2ctl s SER 95 Ca 0.63 1.00 -0.18 0.00 1.31 0.00 0.00 55.95 58.71 2ctl s SER 95 Cb -0.18 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2ctl s SER 95 CO 0.51 -0.10 1.71 -1.28 0.41 0.00 0.00 173.24 174.49 2ctl h SER 96 N 6.87 -0.10 0.00 2.44 0.87 -2.02 -3.57 113.55 118.04 2ctl h SER 96 Ca -0.39 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2ctl h SER 96 Cb 1.18 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2ctl h SER 96 CO 0.76 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.65