#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 -0.41 0.25 1.61 0.01 -1.26 -5.19 113.70 108.71 2ctl s SER 2 Ca 0.00 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.45 2ctl s SER 2 Cb 0.00 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 2ctl s SER 2 CO 0.00 -0.57 0.20 -0.55 0.41 0.00 0.00 173.24 172.73 2ctl s SER 3 N -2.01 0.63 0.00 2.44 0.15 -1.26 -5.06 113.70 108.59 2ctl s SER 3 Ca 0.01 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2ctl s SER 3 Cb -0.01 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2ctl s SER 3 CO -0.05 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2ctl n GLY 4 N -0.39 0.46 2.90 9.45 0.00 -1.26 -5.14 105.19 111.21 2ctl n GLY 4 Ca 0.04 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 2ctl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctl s SER 5 N -0.03 0.22 -0.13 1.61 0.01 -1.26 -5.15 113.70 108.97 2ctl s SER 5 Ca 0.00 -0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 2ctl s SER 5 Cb 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2ctl s SER 5 CO 0.00 0.02 0.33 -0.55 0.41 0.00 0.00 173.24 173.45 2ctl s SER 6 N 0.01 -0.35 -0.34 2.44 0.15 -1.26 -5.07 113.70 109.28 2ctl s SER 6 Ca 0.00 0.67 0.16 0.00 0.70 0.00 0.00 55.95 57.48 2ctl s SER 6 Cb -0.01 0.67 0.44 0.00 -1.71 0.00 0.00 66.02 65.41 2ctl s SER 6 CO -0.00 -0.12 1.10 0.61 1.20 0.00 0.00 173.24 176.03 2ctl n GLY 7 N 2.96 1.50 3.79 9.45 0.00 -1.26 -5.11 105.19 116.52 2ctl n GLY 7 Ca -0.13 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2ctl n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctl s GLU 8 N -2.11 4.49 -0.07 1.61 2.02 -1.26 -5.07 118.70 118.31 2ctl s GLU 8 Ca 0.25 1.08 0.04 0.00 0.02 0.00 0.00 54.97 56.36 2ctl s GLU 8 Cb 0.43 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2ctl s GLU 8 CO -0.01 0.54 -0.18 -0.65 0.02 0.00 0.00 175.26 174.97 2ctl s GLN 9 N -1.32 2.27 -0.27 1.61 -0.21 -1.26 -5.02 119.66 115.46 2ctl s GLN 9 Ca 0.37 -0.66 0.13 0.00 0.02 0.00 0.00 55.36 55.22 2ctl s GLN 9 Cb -0.22 -1.81 0.47 0.00 1.00 0.00 0.00 33.01 32.45 2ctl s GLN 9 CO 0.25 0.15 1.17 -0.85 -2.12 0.00 0.00 175.29 173.88 2ctl n GLU 10 N 3.51 2.78 -0.02 2.91 0.28 -1.26 -4.82 120.64 124.02 2ctl n GLU 10 Ca -0.20 -3.83 -0.15 0.00 -0.16 0.00 0.00 57.16 52.81 2ctl n GLU 10 Cb 0.52 -1.95 -0.11 0.00 1.43 0.00 0.00 31.44 31.34 2ctl n GLU 10 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2ctl h ASP 11 N 2.19 0.29 -1.38 -1.84 1.82 -1.98 -2.69 116.42 112.82 2ctl h ASP 11 Ca 0.17 -0.74 0.46 0.00 -0.39 0.00 0.00 57.03 56.53 2ctl h ASP 11 Cb 1.43 -0.09 -0.13 0.00 0.68 0.00 0.00 39.33 41.22 2ctl h ASP 11 CO 0.51 0.99 0.90 0.08 -1.61 0.00 0.00 179.24 180.11 2ctl h ARG 12 N -0.38 0.04 0.17 0.28 0.11 -2.00 0.66 114.38 113.27 2ctl h ARG 12 Ca -0.03 -0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.69 2ctl h ARG 12 Cb 1.02 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2ctl h ARG 12 CO 0.06 0.03 -1.80 0.00 0.10 0.00 0.00 179.97 178.35 2ctl h ALA 13 N 1.57 0.24 -0.29 0.08 0.00 -1.95 -3.29 119.26 115.63 2ctl h ALA 13 Ca 0.85 -1.21 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2ctl h ALA 13 Cb 2.75 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 21.00 2ctl h ALA 13 CO -0.42 1.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.82 2ctl h LEU 14 N 0.10 -0.24 -0.38 0.00 3.38 0.59 0.15 115.31 118.91 2ctl h LEU 14 Ca -0.36 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2ctl h LEU 14 Cb 2.08 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.99 2ctl h LEU 14 CO 0.15 -0.08 0.00 -2.11 0.09 0.00 0.00 178.44 176.49 2ctl n ARG 15 N -5.23 0.09 -0.83 1.13 1.85 -0.07 -1.85 116.66 111.76 2ctl n ARG 15 Ca -0.00 0.36 0.07 0.00 -1.00 0.00 0.00 57.85 57.28 2ctl n ARG 15 Cb 0.16 -1.69 0.39 0.00 -1.05 0.00 0.00 32.46 30.28 2ctl n ARG 15 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctl n SER 16 N -1.86 5.48 -4.69 2.89 2.88 0.49 -4.17 113.62 114.64 2ctl n SER 16 Ca 0.02 -2.88 -0.42 0.00 -1.33 0.00 0.00 58.87 54.26 2ctl n SER 16 Cb 0.18 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 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 -2.65 3.20 -0.18 0.66 2.19 -0.77 -4.97 117.98 115.46 2ctl s PHE 17 Ca 0.53 1.19 -0.02 0.00 0.33 0.00 0.00 56.93 58.97 2ctl s PHE 17 Cb 0.40 -3.44 -0.01 0.00 -1.31 0.00 0.00 43.02 38.66 2ctl s PHE 17 CO 0.17 -1.41 -0.10 0.21 1.83 0.00 0.00 175.22 175.92 2ctl s LYS 18 N 2.01 3.32 0.16 10.12 2.20 -1.26 -2.99 119.74 133.31 2ctl s LYS 18 Ca 0.57 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2ctl s LYS 18 Cb -0.26 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2ctl s LYS 18 CO 0.24 -0.05 0.01 -1.17 -0.36 0.00 0.00 175.35 174.01 2ctl s LEU 19 N 1.05 3.35 -0.14 5.43 2.96 0.18 -4.94 118.68 126.58 2ctl s LEU 19 Ca -0.00 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2ctl s LEU 19 Cb -0.15 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2ctl s LEU 19 CO -0.02 0.10 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.66 2ctl s SER 20 N -2.88 2.44 -0.04 3.68 0.01 -1.25 -0.84 113.70 114.82 2ctl s SER 20 Ca 0.27 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 2ctl s SER 20 Cb -0.10 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 2ctl s SER 20 CO 0.19 -0.23 0.44 -0.69 0.41 0.00 0.00 173.24 173.36 2ctl s VAL 21 N 1.82 5.08 -0.51 3.43 1.01 0.11 -4.80 120.40 126.54 2ctl s VAL 21 Ca 0.02 0.89 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 2ctl s VAL 21 Cb -0.15 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.54 2ctl s VAL 21 CO -0.07 0.48 0.58 -0.89 0.00 0.00 0.00 175.10 175.19 2ctl s THR 22 N -0.39 4.97 -0.17 3.92 2.01 -1.26 -0.62 115.64 124.10 2ctl s THR 22 Ca 0.24 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 2ctl s THR 22 Cb -0.16 -4.29 0.06 0.00 0.01 0.00 0.00 72.50 68.12 2ctl s THR 22 CO 0.12 -0.80 0.40 -0.69 -0.69 0.00 0.00 174.62 172.96 2ctl s VAL 23 N 2.35 -0.09 0.35 3.82 1.01 0.67 -5.03 120.40 123.48 2ctl s VAL 23 Ca 0.11 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.96 2ctl s VAL 23 Cb -0.22 -0.59 -0.15 0.00 0.00 0.00 0.00 36.38 35.42 2ctl s VAL 23 CO 0.09 0.04 0.45 0.47 0.00 0.00 0.00 175.10 176.16 2ctl n ASP 24 N 4.38 -1.34 0.00 3.32 8.00 -1.26 -4.25 116.55 125.41 2ctl n ASP 24 Ca -0.22 0.96 0.08 0.00 0.71 0.00 0.00 54.79 56.32 2ctl n ASP 24 Cb 0.54 -1.02 0.46 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.92 0.48 0.05 -0.24 -0.04 -1.26 -2.84 135.00 132.09 2ctl n PRO 25 Ca 0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 2ctl n PRO 25 Cb 0.35 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.64 0.00 0.54 2.10 -1.90 -3.27 116.57 114.68 2ctl h LYS 26 Ca 0.00 -0.75 0.00 0.00 -2.00 0.00 0.00 60.65 57.90 2ctl h LYS 26 Cb 0.00 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2ctl h LYS 26 CO 0.00 1.32 -0.52 1.88 -2.00 0.00 0.00 179.45 180.13 2ctl h TYR 27 N 0.28 0.00 -0.48 0.07 0.05 -1.88 -3.38 116.97 111.64 2ctl h TYR 27 Ca -0.14 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.69 2ctl h TYR 27 Cb 1.73 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.38 2ctl h TYR 27 CO 0.11 0.00 -0.56 0.45 -1.05 0.00 0.00 178.16 177.11 2ctl h HIS 28 N 0.00 -1.73 0.00 4.88 3.86 -1.60 0.62 115.15 121.17 2ctl h HIS 28 Ca 0.00 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ctl h HIS 28 Cb 0.92 0.82 0.00 0.00 1.06 0.00 0.00 27.41 30.21 2ctl h HIS 28 CO 0.00 -0.48 0.00 -0.35 0.86 0.00 0.00 177.93 177.96 2ctl n PRO 29 N -5.35 0.19 -0.05 2.45 -0.04 -1.26 -2.36 135.00 128.57 2ctl n PRO 29 Ca -0.03 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2ctl n PRO 29 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.66 0.06 0.54 4.76 0.18 -4.24 118.16 118.81 2ctl n LYS 30 Ca 0.07 0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.56 2ctl n LYS 30 Cb 0.12 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 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 1.40 0.34 -0.18 2.04 -0.10 -3.32 117.51 117.69 2ctl h ILE 31 Ca -0.39 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 63.15 2ctl h ILE 31 Cb 2.10 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 40.42 2ctl h ILE 31 CO 0.06 0.69 -0.47 0.40 0.00 0.00 0.00 178.15 178.82 2ctl h ILE 32 N 0.25 0.07 0.00 -0.67 2.04 -1.72 -3.34 117.51 114.14 2ctl h ILE 32 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ctl h ILE 32 Cb 1.44 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2ctl h ILE 32 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.90 2ctl n GLY 33 N -1.52 2.98 0.23 5.37 0.00 -1.25 -2.60 105.19 108.39 2ctl n GLY 33 Ca -0.10 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.11 0.00 1.61 2.43 -1.91 -3.24 114.38 113.16 2ctl h ARG 34 Ca 0.00 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.92 2ctl h ARG 34 Cb 0.00 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2ctl h ARG 34 CO 0.00 -0.07 -1.96 1.17 -1.51 0.00 0.00 179.97 177.60 2ctl n LYS 35 N -5.36 1.69 0.00 0.20 4.81 -1.26 -5.02 118.16 113.22 2ctl n LYS 35 Ca 0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2ctl n LYS 35 Cb 0.27 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 2.15 1.94 0.10 3.14 0.00 -1.23 -5.06 105.19 106.24 2ctl n GLY 36 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 0.21 -0.86 4.61 0.00 -1.88 -3.26 119.26 118.08 2ctl h ALA 37 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 54.91 53.92 2ctl h ALA 37 Cb 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 2ctl h ALA 37 CO 0.00 0.58 -0.56 0.28 0.00 0.00 0.00 179.25 179.54 2ctl h VAL 38 N -0.97 0.00 -0.59 0.00 2.07 -1.86 0.20 116.25 115.11 2ctl h VAL 38 Ca -0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2ctl h VAL 38 Cb 1.27 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2ctl h VAL 38 CO -0.16 0.00 0.35 -0.29 0.02 0.00 0.00 177.57 177.49 2ctl h ILE 39 N -0.07 1.04 -0.46 4.57 6.09 -1.62 -2.54 117.51 124.52 2ctl h ILE 39 Ca 0.14 -0.23 0.09 0.00 -1.37 0.00 0.00 64.86 63.48 2ctl h ILE 39 Cb 0.43 0.31 -0.07 0.00 0.47 0.00 0.00 36.82 37.95 2ctl h ILE 39 CO -0.84 0.12 0.01 0.74 -3.07 0.00 0.00 178.15 175.11 2ctl h THR 40 N 0.68 0.66 -0.73 2.19 2.02 -0.81 0.85 112.91 117.77 2ctl h THR 40 Ca 0.24 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.42 2ctl h THR 40 Cb 0.06 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2ctl h THR 40 CO -0.12 0.02 0.48 -0.61 0.37 0.00 0.00 175.52 175.66 2ctl h GLN 41 N 0.13 0.80 -0.26 6.66 5.75 -0.34 -1.79 115.11 126.07 2ctl h GLN 41 Ca 0.23 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 58.50 2ctl h GLN 41 Cb 0.33 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2ctl h GLN 41 CO -0.37 0.53 -0.55 0.82 -2.65 0.00 0.00 178.83 176.61 2ctl h ILE 42 N 0.83 1.29 -0.84 2.39 2.04 -0.75 0.71 117.51 123.17 2ctl h ILE 42 Ca 0.30 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2ctl h ILE 42 Cb 0.14 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 2ctl h ILE 42 CO -0.09 0.56 0.46 0.03 0.00 0.00 0.00 178.15 179.11 2ctl h ARG 43 N 0.60 1.17 0.10 2.37 3.08 -0.10 -2.88 114.38 118.72 2ctl h ARG 43 Ca 0.01 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 2ctl h ARG 43 Cb 1.14 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 30.98 2ctl h ARG 43 CO 0.12 0.86 -0.72 -0.07 -1.07 0.00 0.00 179.97 179.09 2ctl h LEU 44 N 1.17 0.46 -0.80 3.04 3.38 -1.34 0.76 115.31 121.98 2ctl h LEU 44 Ca 0.30 -0.90 0.09 0.00 0.09 0.00 0.00 57.88 57.45 2ctl h LEU 44 Cb 0.03 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.52 2ctl h LEU 44 CO -0.05 1.32 -0.54 -0.08 0.09 0.00 0.00 178.44 179.18 2ctl h GLU 45 N -0.33 -0.12 -0.11 1.13 4.81 -0.76 0.27 114.58 119.47 2ctl h GLU 45 Ca -0.12 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2ctl h GLU 45 Cb 1.52 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.93 2ctl h GLU 45 CO 0.14 -0.08 0.00 0.72 -0.73 0.00 0.00 179.01 179.06 2ctl n HIS 46 N -5.32 0.13 -3.68 0.92 8.25 -1.10 -4.95 115.22 109.47 2ctl n HIS 46 Ca 0.01 -0.07 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 2ctl n HIS 46 Cb 0.31 0.00 0.05 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 0.64 -2.39 -4.34 0.41 9.92 0.94 -4.84 116.55 116.89 2ctl n ASP 47 Ca 0.17 -0.75 -0.21 0.00 -0.53 0.00 0.00 54.79 53.47 2ctl n ASP 47 Cb 0.43 -4.31 -0.11 0.00 -0.64 0.00 0.00 41.12 36.50 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 -3.52 1.82 -0.31 2.53 -7.23 0.25 -4.86 120.40 109.08 2ctl s VAL 48 Ca 0.17 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 2ctl s VAL 48 Cb -0.08 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2ctl s VAL 48 CO 0.79 -0.43 0.23 0.21 -0.31 0.00 0.00 175.10 175.59 2ctl s ASN 49 N -2.97 6.06 -0.17 4.85 2.47 -1.05 -4.42 114.94 119.71 2ctl s ASN 49 Ca 0.19 -0.16 -0.02 0.00 0.42 0.00 0.00 52.86 53.29 2ctl s ASN 49 Cb -0.04 -2.14 -0.01 0.00 -1.45 0.00 0.00 41.25 37.61 2ctl s ASN 49 CO 0.07 -0.15 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.58 2ctl s ILE 50 N 1.79 3.23 -0.04 -5.21 1.01 -1.26 -1.97 121.20 118.75 2ctl s ILE 50 Ca 0.08 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2ctl s ILE 50 Cb -0.17 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2ctl s ILE 50 CO 0.11 0.48 -0.10 -1.58 0.00 0.00 0.00 174.94 173.85 2ctl s GLN 51 N 0.80 1.18 0.05 2.79 0.74 -0.96 -5.06 119.66 119.20 2ctl s GLN 51 Ca -0.03 -0.35 -0.00 0.00 0.05 0.00 0.00 55.36 55.03 2ctl s GLN 51 Cb -0.15 -1.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.86 2ctl s GLN 51 CO 0.01 0.10 0.20 -0.06 -0.55 0.00 0.00 175.29 175.00 2ctl s PHE 52 N 0.29 3.51 0.75 1.67 0.40 -1.26 -2.81 117.98 120.53 2ctl s PHE 52 Ca -0.06 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 2ctl s PHE 52 Cb -0.10 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.71 2ctl s PHE 52 CO 0.01 0.59 1.10 -1.25 0.70 0.00 0.00 175.22 176.37 2ctl s PRO 53 N -2.45 2.36 -0.16 0.24 0.04 -1.26 -5.03 135.00 128.75 2ctl s PRO 53 Ca 0.34 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 2ctl s PRO 53 Cb -0.13 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2ctl s PRO 53 CO 0.27 -1.57 -0.04 0.34 0.04 0.00 0.00 177.00 176.04 2ctl s ASP 54 N -3.20 4.73 0.37 6.66 -1.08 -1.26 -4.95 116.67 117.94 2ctl s ASP 54 Ca 0.63 -0.16 0.27 0.00 -0.52 0.00 0.00 52.55 52.76 2ctl s ASP 54 Cb -0.18 -1.77 1.28 0.00 -1.46 0.00 0.00 42.92 40.78 2ctl s ASP 54 CO 0.53 0.15 1.81 0.07 0.52 0.00 0.00 175.17 178.25 2ctl h LYS 55 N 6.84 0.00 -0.06 4.34 -0.00 -1.96 -2.22 116.57 123.51 2ctl h LYS 55 Ca -0.32 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 60.13 2ctl h LYS 55 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 2ctl h LYS 55 CO 0.62 0.00 -0.82 -0.44 -0.00 0.00 0.00 179.45 178.81 2ctl h ASP 56 N 0.00 0.59 0.78 7.07 3.32 -1.98 -3.33 116.42 122.86 2ctl h ASP 56 Ca 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2ctl h ASP 56 Cb 0.21 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2ctl h ASP 56 CO 0.00 1.19 -0.37 -0.78 -1.72 0.00 0.00 179.24 177.56 2ctl h ASP 57 N 0.31 -0.88 0.00 6.45 1.82 -1.78 -3.47 116.42 118.86 2ctl h ASP 57 Ca -0.06 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2ctl h ASP 57 Cb 1.43 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.67 2ctl h ASP 57 CO 0.15 -0.59 0.00 0.61 -1.61 0.00 0.00 179.24 177.80 2ctl n GLY 58 N -1.22 2.10 0.58 -0.78 0.00 -1.23 -4.65 105.19 99.99 2ctl n GLY 58 Ca -0.13 -0.40 0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 4.28 0.00 -4.88 1.61 5.03 -1.26 -4.26 115.26 115.77 2ctl n ASN 59 Ca 0.00 0.81 -0.32 0.00 0.87 0.00 0.00 54.58 55.94 2ctl n ASN 59 Cb 0.00 -0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 38.38 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ctl s GLN 60 N -4.52 3.74 0.14 3.52 -0.21 -1.26 -5.05 119.66 116.02 2ctl s GLN 60 Ca -0.03 0.14 -0.31 0.00 0.02 0.00 0.00 55.36 55.18 2ctl s GLN 60 Cb 0.18 -2.79 -0.08 0.00 1.00 0.00 0.00 33.01 31.32 2ctl s GLN 60 CO 0.59 0.42 1.34 -1.25 -2.12 0.00 0.00 175.29 174.26 2ctl s PRO 61 N -2.58 4.36 0.09 2.91 0.04 -1.26 -4.92 135.00 133.64 2ctl s PRO 61 Ca 0.42 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.73 2ctl s PRO 61 Cb -0.12 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2ctl s PRO 61 CO 0.22 -0.34 1.07 1.04 0.04 0.00 0.00 177.00 179.03 2ctl n GLN 62 N 3.40 0.38 0.02 4.56 1.13 -1.26 -3.91 117.38 121.70 2ctl n GLN 62 Ca 0.09 0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.29 2ctl n GLN 62 Cb 0.43 -1.66 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 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 -2.17 0.63 -4.81 1.08 5.75 -1.26 -3.97 116.55 111.80 2ctl n ASP 63 Ca 0.01 -0.34 -0.38 0.00 -0.01 0.00 0.00 54.79 54.07 2ctl n ASP 63 Cb 0.47 0.88 -0.06 0.00 -1.03 0.00 0.00 41.12 41.38 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 -3.17 4.11 -0.22 0.11 -1.52 -1.25 -0.24 119.66 117.48 2ctl s GLN 64 Ca 0.04 0.56 0.01 0.00 -1.95 0.00 0.00 55.36 54.02 2ctl s GLN 64 Cb 0.15 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.70 2ctl s GLN 64 CO 0.81 0.57 -0.15 0.42 -0.25 0.00 0.00 175.29 176.70 2ctl s ILE 65 N -0.78 2.26 0.20 1.08 1.01 0.21 -4.22 121.20 120.96 2ctl s ILE 65 Ca 0.26 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 2ctl s ILE 65 Cb -0.18 -2.10 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 2ctl s ILE 65 CO 0.15 0.31 0.94 -0.89 0.00 0.00 0.00 174.94 175.45 2ctl s THR 66 N 1.24 4.20 -0.10 2.92 2.01 -1.12 -0.71 115.64 124.08 2ctl s THR 66 Ca -0.00 2.07 -0.04 0.00 0.31 0.00 0.00 61.69 64.03 2ctl s THR 66 Cb -0.16 -4.32 0.05 0.00 0.01 0.00 0.00 72.50 68.09 2ctl s THR 66 CO -0.09 0.45 0.18 -0.63 -0.69 0.00 0.00 174.62 173.84 2ctl s ILE 67 N -0.84 -0.29 0.20 1.82 1.01 -0.02 -2.26 121.20 120.82 2ctl s ILE 67 Ca 0.42 0.29 0.05 0.00 0.00 0.00 0.00 60.65 61.42 2ctl s ILE 67 Cb -0.25 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2ctl s ILE 67 CO 0.31 0.10 0.22 -0.89 0.00 0.00 0.00 174.94 174.69 2ctl s THR 68 N 2.32 4.77 0.00 2.92 2.01 -0.83 -0.64 115.64 126.18 2ctl s THR 68 Ca 0.03 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.94 2ctl s THR 68 Cb -0.12 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2ctl s THR 68 CO -0.07 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 2ctl n GLY 69 N -0.82 2.85 3.63 4.40 0.00 -1.16 -2.53 105.19 111.56 2ctl n GLY 69 Ca -0.08 -1.97 -0.65 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.42 1.51 -0.29 1.61 4.01 -1.26 -4.41 117.16 116.91 2ctl n TYR 70 Ca 0.00 1.11 0.12 0.00 -0.16 0.00 0.00 57.90 58.97 2ctl n TYR 70 Cb 0.00 -2.16 0.24 0.00 -0.31 0.00 0.00 39.34 37.11 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2ctl n GLU 71 N 3.43 -0.07 -0.08 -0.72 2.13 -1.26 0.23 120.64 124.31 2ctl n GLU 71 Ca 0.28 1.25 -0.10 0.00 0.66 0.00 0.00 57.16 59.25 2ctl n GLU 71 Cb -0.03 -1.98 0.04 0.00 0.27 0.00 0.00 31.44 29.74 2ctl n GLU 71 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2ctl h LYS 72 N 0.00 0.80 -0.61 5.31 5.09 -1.96 -2.90 116.57 122.30 2ctl h LYS 72 Ca 0.50 -0.39 -0.07 0.00 0.09 0.00 0.00 60.65 60.79 2ctl h LYS 72 Cb 1.03 -0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.33 2ctl h LYS 72 CO -0.79 1.02 0.12 -0.91 -2.09 0.00 0.00 179.45 176.80 2ctl h ASN 73 N 0.67 0.92 0.55 7.07 2.35 0.27 -3.04 115.58 124.36 2ctl h ASN 73 Ca 0.06 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2ctl h ASN 73 Cb 0.90 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 39.03 2ctl h ASN 73 CO 0.08 0.91 -0.26 0.71 -1.65 0.00 0.00 177.43 177.22 2ctl h THR 74 N 0.92 0.00 -0.94 2.81 1.35 -0.44 -2.99 112.91 113.61 2ctl h THR 74 Ca 0.19 -0.05 0.19 0.00 -0.55 0.00 0.00 66.41 66.19 2ctl h THR 74 Cb 0.37 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 66.61 2ctl h THR 74 CO 0.01 0.00 -0.22 -0.62 -0.25 0.00 0.00 175.52 174.44 2ctl n GLU 75 N -4.12 -0.08 -0.34 4.72 1.02 -1.10 0.16 120.64 120.89 2ctl n GLU 75 Ca -0.09 1.47 0.12 0.00 -0.02 0.00 0.00 57.16 58.64 2ctl n GLU 75 Cb 0.29 -2.20 0.30 0.00 -0.02 0.00 0.00 31.44 29.81 2ctl n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ctl h ALA 76 N 1.89 1.58 0.00 0.62 0.00 -1.47 0.21 119.26 122.09 2ctl h ALA 76 Ca 0.46 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2ctl h ALA 76 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ctl h ALA 76 CO -0.97 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 178.20 2ctl h ALA 77 N 1.64 -0.00 -0.09 0.00 0.00 0.17 -3.27 119.26 117.70 2ctl h ALA 77 Ca 0.56 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ctl h ALA 77 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ctl h ALA 77 CO -0.39 -0.03 0.22 0.07 0.00 0.00 0.00 179.25 179.12 2ctl h ARG 78 N -0.95 0.00 -0.39 0.00 -0.00 -0.05 0.20 114.38 113.19 2ctl h ARG 78 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 2ctl h ARG 78 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.87 2ctl h ARG 78 CO 0.00 0.00 -0.23 0.22 -0.00 0.00 0.00 179.97 179.96 2ctl h ASP 79 N 0.00 0.80 0.44 0.08 3.58 -0.65 -3.22 116.42 117.45 2ctl h ASP 79 Ca 0.04 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2ctl h ASP 79 Cb 0.48 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2ctl h ASP 79 CO -0.00 1.01 -0.21 0.00 -2.88 0.00 0.00 179.24 177.15 2ctl h ALA 80 N 1.05 -0.60 -1.55 -0.78 0.00 -1.06 -1.67 119.26 114.66 2ctl h ALA 80 Ca 0.09 -0.19 0.50 0.00 0.00 0.00 0.00 54.91 55.32 2ctl h ALA 80 Cb 0.75 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2ctl h ALA 80 CO 0.06 -0.66 1.04 -0.89 0.00 0.00 0.00 179.25 178.80 2ctl n ILE 81 N -5.22 -0.18 -0.06 0.00 5.41 -1.18 -0.48 119.36 117.65 2ctl n ILE 81 Ca -0.10 1.70 -0.07 0.00 1.00 0.00 0.00 62.75 65.28 2ctl n ILE 81 Cb 0.30 -2.81 -0.05 0.00 -0.71 0.00 0.00 39.64 36.37 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 0.00 -0.99 1.39 3.38 -1.54 -3.21 115.31 114.34 2ctl h LEU 82 Ca 0.89 -0.36 0.35 0.00 0.09 0.00 0.00 57.88 58.85 2ctl h LEU 82 Cb 3.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 43.68 2ctl h LEU 82 CO -0.33 0.77 0.42 -0.09 0.09 0.00 0.00 178.44 179.31 2ctl h ARG 83 N -1.00 0.10 0.51 1.13 2.43 0.20 -0.89 114.38 116.87 2ctl h ARG 83 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2ctl h ARG 83 Cb 0.49 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2ctl h ARG 83 CO -0.02 0.07 -0.25 0.82 -1.51 0.00 0.00 179.97 179.08 2ctl h ILE 84 N 0.10 0.00 -0.75 1.20 2.04 -1.32 -3.24 117.51 115.55 2ctl h ILE 84 Ca 0.75 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 66.58 2ctl h ILE 84 Cb 1.81 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.77 2ctl h ILE 84 CO -0.75 0.00 -0.30 0.52 0.00 0.00 0.00 178.15 177.63 2ctl n VAL 85 N -4.21 -0.40 -0.31 1.67 0.31 -0.38 0.15 118.33 115.16 2ctl n VAL 85 Ca -0.09 1.75 0.16 0.00 -0.01 0.00 0.00 64.34 66.16 2ctl n VAL 85 Cb 0.27 -2.30 0.34 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.54 0.40 2.92 0.00 -1.47 -0.77 103.07 105.69 2ctl h GLY 86 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 2ctl h GLY 86 CO -0.74 -0.43 -0.02 0.83 0.00 0.00 0.00 176.54 176.18 2ctl h GLU 87 N 0.21 -0.06 -1.47 4.80 5.08 0.13 -3.15 114.58 120.11 2ctl h GLU 87 Ca 0.61 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 59.41 2ctl h GLU 87 Cb 1.29 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.48 2ctl h GLU 87 CO -0.67 0.49 1.03 -0.07 -1.00 0.00 0.00 179.01 178.79 2ctl h LEU 88 N -0.66 0.09 0.29 1.33 3.38 -0.21 0.19 115.31 119.72 2ctl h LEU 88 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ctl h LEU 88 Cb 0.58 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ctl h LEU 88 CO 0.01 -0.03 -0.14 -0.33 0.09 0.00 0.00 178.44 178.04 2ctl h GLU 89 N 0.05 -0.38 0.31 1.13 3.07 -1.31 -3.32 114.58 114.13 2ctl h GLU 89 Ca 0.75 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.62 2ctl h GLU 89 Cb 2.78 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 30.78 2ctl h GLU 89 CO -0.12 -0.03 -0.18 0.37 -1.40 0.00 0.00 179.01 177.65 2ctl h GLN 90 N -0.84 -0.45 -4.91 2.33 -0.00 -0.73 -3.45 115.11 107.06 2ctl h GLN 90 Ca -0.04 0.03 -0.48 0.00 -0.00 0.00 0.00 58.65 58.16 2ctl h GLN 90 Cb 0.52 0.10 0.16 0.00 0.00 0.00 0.00 27.48 28.26 2ctl h GLN 90 CO 0.07 -0.30 -1.06 -1.33 0.00 0.00 0.00 178.83 176.21 2ctl n MET 91 N -5.31 0.00 -1.95 1.69 2.81 -0.10 -4.78 117.12 109.48 2ctl n MET 91 Ca -0.10 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 2ctl n MET 91 Cb 0.22 -0.82 -0.02 0.00 -0.71 0.00 0.00 33.22 31.89 2ctl n MET 91 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ctl s SER 92 N -0.82 6.58 0.00 7.83 0.15 -1.26 -4.97 113.70 121.22 2ctl s SER 92 Ca 0.44 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.83 2ctl s SER 92 Cb -0.36 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 2ctl s SER 92 CO 0.57 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2ctl n GLY 93 N 2.10 2.31 3.63 9.45 0.00 -1.26 -5.11 105.19 116.30 2ctl n GLY 93 Ca 0.07 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.79 -0.10 1.61 0.04 -1.26 -4.85 135.00 132.23 2ctl s PRO 94 Ca 0.00 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 2ctl s PRO 94 Cb 0.00 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 2ctl s PRO 94 CO 0.00 -1.30 -0.14 0.45 0.04 0.00 0.00 177.00 176.04 2ctl n SER 95 N 8.47 0.86 -4.45 6.66 2.88 -1.26 -5.05 113.62 121.74 2ctl n SER 95 Ca 0.19 0.15 -0.29 0.00 -1.33 0.00 0.00 58.87 57.58 2ctl n SER 95 Cb 0.45 -0.35 -0.12 0.00 -0.75 0.00 0.00 64.21 63.44 2ctl n SER 95 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctl s SER 96 N -6.01 3.66 0.00 -3.46 0.01 -1.26 -5.31 113.70 101.33 2ctl s SER 96 Ca -0.15 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2ctl s SER 96 Cb 0.06 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2ctl s SER 96 CO 0.19 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.65