#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctl n SER 2 N 0.00 1.90 -3.69 1.61 3.41 -1.26 -5.01 113.62 110.58 2ctl n SER 2 Ca 0.00 0.40 -0.23 0.00 -0.26 0.00 0.00 58.87 58.78 2ctl n SER 2 Cb 0.00 -0.90 0.05 0.00 -0.26 0.00 0.00 64.21 63.10 2ctl n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ctl n SER 3 N -4.38 -3.16 0.00 4.04 2.88 -1.26 -4.55 113.62 107.19 2ctl n SER 3 Ca -0.38 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 2ctl n SER 3 Cb 0.73 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 2ctl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctl n GLY 4 N -1.60 0.93 0.87 0.46 0.00 -1.26 -4.75 105.19 99.85 2ctl n GLY 4 Ca -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.67 -4.03 1.61 3.41 -1.26 -5.03 113.62 108.99 2ctl n SER 5 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2ctl n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2ctl n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ctl n SER 6 N -2.87 -2.39 0.00 4.04 3.41 -1.26 -4.86 113.62 109.69 2ctl n SER 6 Ca 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2ctl n SER 6 Cb 0.47 -3.19 0.00 0.00 -0.26 0.00 0.00 64.21 61.22 2ctl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctl n GLY 7 N -1.68 -1.60 3.18 5.00 0.00 -1.26 -5.12 105.19 103.71 2ctl n GLY 7 Ca -0.10 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.83 2.44 0.22 1.61 8.01 -1.26 -5.08 118.70 122.81 2ctl s GLU 8 Ca 0.00 -1.27 -0.32 0.00 0.01 0.00 0.00 54.97 53.40 2ctl s GLU 8 Cb 0.00 -3.22 -0.12 0.00 -4.31 0.00 0.00 34.13 26.48 2ctl s GLU 8 CO 0.00 -0.63 1.71 -0.65 0.01 0.00 0.00 175.26 175.70 2ctl s GLN 9 N 1.27 4.12 -0.96 1.61 -0.21 -1.26 -4.93 119.66 119.30 2ctl s GLN 9 Ca -0.05 2.61 -0.01 0.00 0.02 0.00 0.00 55.36 57.93 2ctl s GLN 9 Cb -0.20 -3.07 0.29 0.00 1.00 0.00 0.00 33.01 31.04 2ctl s GLN 9 CO -0.01 -0.74 1.30 -0.85 -2.12 0.00 0.00 175.29 172.87 2ctl n GLU 10 N 3.81 4.00 0.08 2.91 0.00 -1.26 -4.78 120.64 125.40 2ctl n GLU 10 Ca 0.15 -4.60 -0.21 0.00 0.00 0.00 0.00 57.16 52.50 2ctl n GLU 10 Cb 0.35 -2.44 -0.15 0.00 0.00 0.00 0.00 31.44 29.21 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 5.02 0.60 -0.99 -1.84 2.03 -2.00 -3.24 116.42 116.01 2ctl h ASP 11 Ca 0.21 -0.93 0.29 0.00 -0.73 0.00 0.00 57.03 55.87 2ctl h ASP 11 Cb 0.61 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 38.88 2ctl h ASP 11 CO 1.20 1.48 0.86 0.08 -1.03 0.00 0.00 179.24 181.83 2ctl h ARG 12 N -0.18 0.00 0.22 4.15 0.11 -1.99 0.51 114.38 117.20 2ctl h ARG 12 Ca -0.17 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.56 2ctl h ARG 12 Cb 1.78 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.89 2ctl h ARG 12 CO 0.19 0.00 -1.62 0.00 0.10 0.00 0.00 179.97 178.64 2ctl h ALA 13 N 1.21 -0.01 -0.37 0.08 0.00 -1.95 -2.72 119.26 115.50 2ctl h ALA 13 Ca 0.47 -1.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2ctl h ALA 13 Cb 2.19 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 2ctl h ALA 13 CO -0.00 0.86 -0.04 -0.07 0.00 0.00 0.00 179.25 179.99 2ctl h LEU 14 N 0.13 0.57 0.00 0.00 3.38 -0.10 -2.34 115.31 116.96 2ctl h LEU 14 Ca -0.30 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ctl h LEU 14 Cb 2.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2ctl h LEU 14 CO 0.23 0.67 -0.23 0.08 0.09 0.00 0.00 178.44 179.28 2ctl h ARG 15 N 0.57 0.00 -1.02 1.13 -0.00 -1.16 -3.26 114.38 110.63 2ctl h ARG 15 Ca 0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.82 2ctl h ARG 15 Cb 0.42 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 30.23 2ctl h ARG 15 CO 0.02 0.00 0.34 0.45 -0.00 0.00 0.00 179.97 180.78 2ctl n SER 16 N -2.95 3.54 -4.59 0.08 2.88 -0.88 -3.80 113.62 107.89 2ctl n SER 16 Ca 0.03 -2.84 -0.40 0.00 -1.33 0.00 0.00 58.87 54.33 2ctl n SER 16 Cb 0.53 -0.69 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.71 3.23 -0.24 0.66 2.19 -1.23 -5.00 117.98 115.89 2ctl s PHE 17 Ca 0.29 0.44 -0.08 0.00 0.33 0.00 0.00 56.93 57.91 2ctl s PHE 17 Cb 0.25 -2.76 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 2ctl s PHE 17 CO 0.05 -0.36 0.09 0.21 1.83 0.00 0.00 175.22 177.04 2ctl s LYS 18 N 2.29 3.75 0.11 10.12 2.20 -1.26 -2.80 119.74 134.15 2ctl s LYS 18 Ca 0.19 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2ctl s LYS 18 Cb -0.16 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2ctl s LYS 18 CO 0.11 -0.12 0.01 -1.17 -0.36 0.00 0.00 175.35 173.82 2ctl s LEU 19 N 1.47 3.49 -0.12 5.43 2.96 0.32 -4.93 118.68 127.30 2ctl s LEU 19 Ca 0.06 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2ctl s LEU 19 Cb -0.15 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.38 2ctl s LEU 19 CO 0.05 0.15 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.77 2ctl s SER 20 N -2.48 2.14 -0.15 3.68 0.01 -1.25 -0.95 113.70 114.70 2ctl s SER 20 Ca 0.27 -0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.07 2ctl s SER 20 Cb -0.11 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 2ctl s SER 20 CO 0.19 -0.19 0.21 -0.69 0.41 0.00 0.00 173.24 173.17 2ctl s VAL 21 N 1.84 5.36 -0.78 3.43 1.01 -0.10 -4.82 120.40 126.34 2ctl s VAL 21 Ca 0.03 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2ctl s VAL 21 Cb -0.14 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2ctl s VAL 21 CO -0.07 0.48 0.95 -0.89 0.00 0.00 0.00 175.10 175.57 2ctl s THR 22 N -0.06 4.76 -0.03 3.92 2.01 -1.26 -0.83 115.64 124.15 2ctl s THR 22 Ca 0.14 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 60.86 2ctl s THR 22 Cb -0.12 -4.66 0.03 0.00 0.01 0.00 0.00 72.50 67.76 2ctl s THR 22 CO 0.03 -1.36 0.01 -0.69 -0.69 0.00 0.00 174.62 171.93 2ctl s VAL 23 N 2.71 0.11 0.32 3.82 1.01 0.75 -5.02 120.40 124.10 2ctl s VAL 23 Ca 0.24 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 2ctl s VAL 23 Cb -0.13 -0.23 -0.15 0.00 0.00 0.00 0.00 36.38 35.87 2ctl s VAL 23 CO -0.01 0.14 0.47 0.47 0.00 0.00 0.00 175.10 176.17 2ctl n ASP 24 N 4.34 -1.27 0.00 3.32 9.92 -1.26 -4.19 116.55 127.42 2ctl n ASP 24 Ca -0.23 0.99 0.08 0.00 -0.53 0.00 0.00 54.79 55.10 2ctl n ASP 24 Cb 0.50 -1.02 0.44 0.00 -0.64 0.00 0.00 41.12 40.40 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2ctl n PRO 25 N 0.94 0.42 0.07 -0.24 -0.04 -1.25 -2.54 135.00 132.36 2ctl n PRO 25 Ca 0.13 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2ctl n PRO 25 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.16 0.00 0.54 2.10 -1.89 -3.31 116.57 114.17 2ctl h LYS 26 Ca 0.00 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2ctl h LYS 26 Cb 0.03 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2ctl h LYS 26 CO 0.00 1.07 -0.94 0.66 -2.00 0.00 0.00 179.45 178.23 2ctl n TYR 27 N -3.42 0.61 -0.14 0.07 4.01 -1.05 -4.32 117.16 112.92 2ctl n TYR 27 Ca -0.08 0.18 -0.13 0.00 -0.16 0.00 0.00 57.90 57.70 2ctl n TYR 27 Cb 1.00 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.66 0.00 -0.72 3.86 -1.63 0.39 115.15 115.39 2ctl h HIS 28 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2ctl h HIS 28 Cb 0.85 0.78 0.00 0.00 1.06 0.00 0.00 27.41 30.10 2ctl h HIS 28 CO 0.00 -0.47 0.00 -0.35 0.86 0.00 0.00 177.93 177.97 2ctl n PRO 29 N -5.29 0.05 0.06 2.45 -0.04 -1.26 -2.24 135.00 128.73 2ctl n PRO 29 Ca -0.03 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2ctl n PRO 29 Cb 0.33 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2ctl n PRO 29 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2ctl h LYS 30 N 0.00 0.00 0.16 0.54 1.79 -0.51 -3.35 116.57 115.20 2ctl h LYS 30 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 2ctl h LYS 30 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2ctl h LYS 30 CO 0.00 0.30 -1.62 0.82 -1.08 0.00 0.00 179.45 177.87 2ctl h ILE 31 N 0.00 1.08 -0.95 1.86 2.04 -0.56 -3.33 117.51 117.65 2ctl h ILE 31 Ca -0.11 -2.67 0.14 0.00 1.00 0.00 0.00 64.86 63.22 2ctl h ILE 31 Cb 1.47 2.79 -0.09 0.00 -0.74 0.00 0.00 36.82 40.25 2ctl h ILE 31 CO 0.04 0.83 0.57 0.40 0.00 0.00 0.00 178.15 179.99 2ctl h ILE 32 N 0.09 0.83 0.00 -0.67 2.04 -1.68 -3.33 117.51 114.80 2ctl h ILE 32 Ca -0.29 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2ctl h ILE 32 Cb 2.07 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2ctl h ILE 32 CO 0.18 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.09 2ctl n GLY 33 N -1.33 -1.26 0.06 5.37 0.00 -1.25 -3.42 105.19 103.35 2ctl n GLY 33 Ca 0.19 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.12 0.00 1.61 -0.00 -1.93 -3.41 114.38 110.53 2ctl h ARG 34 Ca 0.00 0.01 -0.27 0.00 -0.50 0.00 0.00 59.98 59.21 2ctl h ARG 34 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 29.97 29.95 2ctl h ARG 34 CO 0.00 -0.08 -2.28 1.63 0.00 0.00 0.00 179.97 179.24 2ctl n LYS 35 N -2.72 0.70 0.00 0.04 5.02 -1.26 -4.99 118.16 114.95 2ctl n LYS 35 Ca -0.02 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2ctl n LYS 35 Cb 0.05 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctl n GLY 36 N 1.63 0.89 0.13 0.72 0.00 -1.25 -5.07 105.19 102.25 2ctl n GLY 36 Ca -0.26 0.00 -0.22 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 n ALA 37 N 0.00 0.95 -0.13 4.61 0.00 -1.24 -3.89 120.51 120.80 2ctl n ALA 37 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.63 2ctl n ALA 37 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.48 0.02 -0.89 0.00 2.07 -1.85 0.18 116.25 115.30 2ctl h VAL 38 Ca -0.45 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2ctl h VAL 38 Cb 1.69 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 2ctl h VAL 38 CO -0.11 0.00 0.53 -0.29 0.02 0.00 0.00 177.57 177.71 2ctl h ILE 39 N -0.39 0.90 0.29 4.57 6.09 -1.67 -2.75 117.51 124.55 2ctl h ILE 39 Ca 0.08 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2ctl h ILE 39 Cb 0.60 -0.03 -0.03 0.00 0.47 0.00 0.00 36.82 37.83 2ctl h ILE 39 CO -0.59 0.15 -0.47 0.74 -3.07 0.00 0.00 178.15 174.92 2ctl h THR 40 N 0.85 0.00 -0.97 2.19 2.02 -1.12 0.13 112.91 116.00 2ctl h THR 40 Ca 0.44 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.94 2ctl h THR 40 Cb 0.43 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.69 2ctl h THR 40 CO -0.26 0.00 0.42 -0.61 0.37 0.00 0.00 175.52 175.44 2ctl h GLN 41 N -0.80 0.19 -0.27 6.66 -0.00 -0.97 0.55 115.11 120.46 2ctl h GLN 41 Ca -0.03 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.48 2ctl h GLN 41 Cb 0.74 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.18 2ctl h GLN 41 CO -0.15 0.12 -0.33 0.82 0.00 0.00 0.00 178.83 179.29 2ctl h ILE 42 N 0.19 1.31 0.29 2.39 2.04 -1.21 -1.22 117.51 121.30 2ctl h ILE 42 Ca 0.70 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2ctl h ILE 42 Cb 1.61 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2ctl h ILE 42 CO -0.69 0.48 -0.14 0.03 0.00 0.00 0.00 178.15 177.84 2ctl h ARG 43 N 0.43 -0.37 -0.33 2.37 3.08 0.26 -2.53 114.38 117.29 2ctl h ARG 43 Ca 0.03 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ctl h ARG 43 Cb 0.91 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2ctl h ARG 43 CO 0.08 -0.18 0.20 -0.07 -1.07 0.00 0.00 179.97 178.93 2ctl h LEU 44 N -0.49 0.39 -0.34 3.04 3.38 -0.72 0.81 115.31 121.37 2ctl h LEU 44 Ca -0.04 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2ctl h LEU 44 Cb 0.37 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2ctl h LEU 44 CO 0.07 0.32 -0.46 -0.08 0.09 0.00 0.00 178.44 178.37 2ctl h GLU 45 N 0.43 -0.38 -0.01 1.13 4.81 -1.15 0.16 114.58 119.57 2ctl h GLU 45 Ca 0.12 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2ctl h GLU 45 Cb -0.00 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2ctl h GLU 45 CO -0.02 -0.25 -0.04 0.72 -0.73 0.00 0.00 179.01 178.68 2ctl n HIS 46 N -5.41 0.00 -3.63 0.92 8.25 -0.96 -4.94 115.22 109.44 2ctl n HIS 46 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 2ctl n HIS 46 Cb 0.35 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.55 -2.67 -4.32 0.41 2.03 0.25 -4.64 116.55 107.06 2ctl n ASP 47 Ca 0.19 -0.84 -0.17 0.00 0.52 0.00 0.00 54.79 54.49 2ctl n ASP 47 Cb 0.26 -4.10 -0.10 0.00 -0.72 0.00 0.00 41.12 36.46 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 -3.59 0.88 -0.28 5.18 -7.23 0.54 -4.81 120.40 111.09 2ctl s VAL 48 Ca 0.15 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2ctl s VAL 48 Cb -0.04 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2ctl s VAL 48 CO 0.81 -0.24 0.09 0.21 -0.31 0.00 0.00 175.10 175.66 2ctl s ASN 49 N -3.30 5.22 -0.22 4.85 2.47 -0.62 -4.52 114.94 118.82 2ctl s ASN 49 Ca 0.31 -0.44 -0.04 0.00 0.42 0.00 0.00 52.86 53.10 2ctl s ASN 49 Cb 0.07 -1.93 -0.01 0.00 -1.45 0.00 0.00 41.25 37.92 2ctl s ASN 49 CO 0.10 -0.12 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.70 2ctl s ILE 50 N 1.58 3.56 -0.07 -5.21 1.01 -1.26 -1.34 121.20 119.47 2ctl s ILE 50 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2ctl s ILE 50 Cb -0.16 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.69 2ctl s ILE 50 CO 0.04 0.41 -0.13 -1.58 0.00 0.00 0.00 174.94 173.68 2ctl s GLN 51 N 1.44 1.83 0.12 2.79 0.74 -0.73 -5.04 119.66 120.81 2ctl s GLN 51 Ca 0.05 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.98 2ctl s GLN 51 Cb -0.14 -1.49 -0.05 0.00 1.10 0.00 0.00 33.01 32.43 2ctl s GLN 51 CO -0.02 0.05 0.31 -0.06 -0.55 0.00 0.00 175.29 175.03 2ctl s PHE 52 N 0.61 3.49 0.73 1.67 0.08 -1.26 -2.32 117.98 120.98 2ctl s PHE 52 Ca -0.15 0.38 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 2ctl s PHE 52 Cb -0.16 -1.87 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2ctl s PHE 52 CO 0.04 0.48 1.10 -1.25 -0.10 0.00 0.00 175.22 175.49 2ctl s PRO 53 N -2.76 2.46 -0.18 0.24 0.04 -1.26 -5.00 135.00 128.54 2ctl s PRO 53 Ca 0.38 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 2ctl s PRO 53 Cb -0.12 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2ctl s PRO 53 CO 0.27 -1.50 0.03 0.34 0.04 0.00 0.00 177.00 176.19 2ctl s ASP 54 N -3.09 5.37 0.34 6.66 2.15 -1.26 -4.95 116.67 121.88 2ctl s ASP 54 Ca 0.63 0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.73 2ctl s ASP 54 Cb -0.18 -1.91 0.61 0.00 -0.30 0.00 0.00 42.92 41.14 2ctl s ASP 54 CO 0.51 0.16 1.77 0.07 -0.17 0.00 0.00 175.17 177.51 2ctl h LYS 55 N 6.77 0.05 -0.81 4.34 2.10 -1.96 -2.88 116.57 124.17 2ctl h LYS 55 Ca -0.35 -0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.36 2ctl h LYS 55 Cb 1.17 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.45 2ctl h LYS 55 CO 0.68 0.46 0.53 -0.44 -2.00 0.00 0.00 179.45 178.67 2ctl h ASP 56 N 0.04 0.71 0.00 7.07 3.32 -2.00 -3.15 116.42 122.41 2ctl h ASP 56 Ca 0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ctl h ASP 56 Cb 0.75 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2ctl h ASP 56 CO 0.06 0.43 -0.00 -0.78 -1.72 0.00 0.00 179.24 177.23 2ctl h ASP 57 N 0.79 -0.00 0.00 6.45 1.82 -1.91 -3.48 116.42 120.09 2ctl h ASP 57 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2ctl h ASP 57 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2ctl h ASP 57 CO -0.14 -0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.10 2ctl n GLY 58 N 0.09 1.96 0.29 -0.78 0.00 -1.19 -4.80 105.19 100.76 2ctl n GLY 58 Ca -0.00 -0.64 0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 3.41 0.10 -4.83 1.61 4.13 -1.26 -4.32 115.26 114.09 2ctl n ASN 59 Ca 0.00 1.46 -0.32 0.00 1.68 0.00 0.00 54.58 57.39 2ctl n ASN 59 Cb 0.00 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 37.58 2ctl n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ctl s GLN 60 N -5.58 4.03 0.17 3.52 -2.07 -1.26 -5.02 119.66 113.46 2ctl s GLN 60 Ca -0.10 1.01 -0.30 0.00 -1.82 0.00 0.00 55.36 54.15 2ctl s GLN 60 Cb 0.27 -2.15 -0.08 0.00 -1.09 0.00 0.00 33.01 29.96 2ctl s GLN 60 CO 0.68 -0.20 1.32 -1.25 -1.32 0.00 0.00 175.29 174.52 2ctl s PRO 61 N -3.78 4.37 0.04 9.60 0.04 -1.26 -4.93 135.00 139.09 2ctl s PRO 61 Ca 0.60 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.91 2ctl s PRO 61 Cb -0.10 -3.22 0.17 0.00 0.04 0.00 0.00 34.50 31.39 2ctl s PRO 61 CO 0.25 -0.30 1.14 1.04 0.04 0.00 0.00 177.00 179.17 2ctl n GLN 62 N 3.06 0.20 0.01 4.56 1.13 -1.26 -3.94 117.38 121.14 2ctl n GLN 62 Ca 0.08 0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.25 2ctl n GLN 62 Cb 0.43 -1.57 -0.08 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 -1.83 0.52 -4.75 1.08 5.68 -1.26 -3.95 116.55 112.04 2ctl n ASP 63 Ca 0.03 -0.35 -0.39 0.00 -0.50 0.00 0.00 54.79 53.59 2ctl n ASP 63 Cb 0.40 1.25 -0.06 0.00 -1.14 0.00 0.00 41.12 41.58 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2ctl s GLN 64 N -3.26 4.32 -0.23 0.11 -1.52 -1.25 -0.18 119.66 117.65 2ctl s GLN 64 Ca 0.01 0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 54.05 2ctl s GLN 64 Cb 0.15 -3.38 0.01 0.00 -0.22 0.00 0.00 33.01 29.57 2ctl s GLN 64 CO 0.86 0.28 -0.06 0.42 -0.25 0.00 0.00 175.29 176.54 2ctl s ILE 65 N 0.14 3.07 0.26 1.08 1.01 -0.01 -4.20 121.20 122.56 2ctl s ILE 65 Ca 0.30 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 2ctl s ILE 65 Cb -0.17 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.75 2ctl s ILE 65 CO 0.15 0.34 0.88 -0.89 0.00 0.00 0.00 174.94 175.42 2ctl s THR 66 N 1.40 4.27 -0.14 2.92 2.01 -0.98 -0.92 115.64 124.19 2ctl s THR 66 Ca 0.04 1.77 -0.05 0.00 0.31 0.00 0.00 61.69 63.76 2ctl s THR 66 Cb -0.15 -4.08 0.07 0.00 0.01 0.00 0.00 72.50 68.35 2ctl s THR 66 CO -0.05 0.30 0.29 -0.63 -0.69 0.00 0.00 174.62 173.84 2ctl s ILE 67 N -1.43 -0.46 0.04 1.82 1.01 -0.13 -1.77 121.20 120.29 2ctl s ILE 67 Ca 0.45 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.35 2ctl s ILE 67 Cb -0.21 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2ctl s ILE 67 CO 0.26 0.10 0.12 -0.89 0.00 0.00 0.00 174.94 174.52 2ctl s THR 68 N 2.45 4.90 -5.00 2.92 2.01 -0.45 -0.52 115.64 121.95 2ctl s THR 68 Ca 0.01 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2ctl s THR 68 Cb -0.12 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2ctl s THR 68 CO -0.09 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2ctl n GLY 69 N 0.70 0.82 3.64 4.40 0.00 -1.12 -1.59 105.19 112.04 2ctl n GLY 69 Ca -0.09 -1.90 -0.46 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 1.30 2.25 -0.42 1.61 4.01 -1.23 -4.07 117.16 120.61 2ctl n TYR 70 Ca 0.00 -0.10 0.34 0.00 -0.16 0.00 0.00 57.90 57.98 2ctl n TYR 70 Cb 0.00 -2.70 0.54 0.00 -0.31 0.00 0.00 39.34 36.87 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 7.37 -0.02 0.10 -0.72 2.13 -1.24 0.21 120.64 128.47 2ctl n GLU 71 Ca 0.25 0.87 -0.05 0.00 0.66 0.00 0.00 57.16 58.89 2ctl n GLU 71 Cb 0.34 -1.83 -0.02 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.30 0.08 5.31 1.79 -1.93 -3.14 116.57 118.38 2ctl h LYS 72 Ca 0.67 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 59.18 2ctl h LYS 72 Cb 2.39 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 33.06 2ctl h LYS 72 CO -0.20 -0.20 -0.47 -0.91 -1.08 0.00 0.00 179.45 176.59 2ctl h ASN 73 N -0.81 -1.42 -0.96 0.86 2.35 -0.54 -2.47 115.58 112.58 2ctl h ASN 73 Ca -0.03 0.16 0.11 0.00 -0.55 0.00 0.00 56.30 55.98 2ctl h ASN 73 Cb 0.24 0.54 -0.13 0.00 0.05 0.00 0.00 38.32 39.02 2ctl h ASN 73 CO 0.05 -0.52 -0.50 0.35 -1.65 0.00 0.00 177.43 175.16 2ctl n THR 74 N -5.47 -0.61 -0.34 2.81 -2.24 -0.08 0.12 114.28 108.48 2ctl n THR 74 Ca -0.07 2.30 0.15 0.00 -2.27 0.00 0.00 64.05 64.16 2ctl n THR 74 Cb 0.39 -2.91 0.37 0.00 -2.10 0.00 0.00 70.33 66.08 2ctl n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ctl h GLU 75 N 0.00 0.65 0.00 -0.78 4.39 -1.42 0.63 114.58 118.06 2ctl h GLU 75 Ca 0.21 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2ctl h GLU 75 Cb 0.46 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2ctl h GLU 75 CO -0.92 0.43 -0.11 0.00 -1.16 0.00 0.00 179.01 177.26 2ctl h ALA 76 N 1.64 1.37 0.00 3.43 0.00 0.14 -1.93 119.26 123.91 2ctl h ALA 76 Ca 0.57 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 55.08 2ctl h ALA 76 Cb 1.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2ctl h ALA 76 CO -0.35 0.13 -1.95 0.00 0.00 0.00 0.00 179.25 177.08 2ctl n ALA 77 N -2.31 1.57 0.23 0.00 0.00 0.18 -4.10 120.51 116.08 2ctl n ALA 77 Ca -0.02 -0.96 0.11 0.00 0.00 0.00 0.00 53.44 52.57 2ctl n ALA 77 Cb 0.21 -0.60 0.48 0.00 0.00 0.00 0.00 19.45 19.54 2ctl n ALA 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2ctl h ARG 78 N 0.00 0.00 0.00 0.00 -0.00 -0.02 -2.78 114.38 111.58 2ctl h ARG 78 Ca -0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.53 2ctl h ARG 78 Cb 2.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.99 2ctl h ARG 78 CO 0.06 0.19 -0.38 0.22 -0.00 0.00 0.00 179.97 180.06 2ctl h ASP 79 N 0.00 0.00 -0.00 0.08 3.58 -1.51 -3.19 116.42 115.37 2ctl h ASP 79 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2ctl h ASP 79 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2ctl h ASP 79 CO 0.03 0.38 -0.02 0.00 -2.88 0.00 0.00 179.24 176.75 2ctl h ALA 80 N 1.62 0.01 -1.10 -0.78 0.00 -1.68 -1.99 119.26 115.34 2ctl h ALA 80 Ca -0.00 -0.34 0.30 0.00 0.00 0.00 0.00 54.91 54.87 2ctl h ALA 80 Cb 0.81 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2ctl h ALA 80 CO 0.05 -0.15 0.72 0.82 0.00 0.00 0.00 179.25 180.69 2ctl h ILE 81 N -0.63 0.44 0.00 0.00 2.04 -1.57 -1.85 117.51 115.95 2ctl h ILE 81 Ca -0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ctl h ILE 81 Cb 0.68 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2ctl h ILE 81 CO 0.00 0.06 -0.00 -0.07 0.00 0.00 0.00 178.15 178.14 2ctl h LEU 82 N 0.30 -0.00 -1.38 1.44 3.38 -1.57 -3.20 115.31 114.27 2ctl h LEU 82 Ca 0.63 -0.38 0.46 0.00 0.09 0.00 0.00 57.88 58.68 2ctl h LEU 82 Cb 1.76 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.40 2ctl h LEU 82 CO -0.30 0.69 0.92 -1.14 0.09 0.00 0.00 178.44 178.70 2ctl n ARG 83 N -4.72 -0.03 0.13 1.13 0.63 -0.75 -0.03 116.66 113.03 2ctl n ARG 83 Ca -0.04 1.11 -0.08 0.00 -0.92 0.00 0.00 57.85 57.92 2ctl n ARG 83 Cb 0.18 -2.26 -0.04 0.00 0.45 0.00 0.00 32.46 30.79 2ctl n ARG 83 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2ctl h ILE 84 N 0.00 0.17 -0.71 5.15 2.04 -1.50 -3.34 117.51 119.32 2ctl h ILE 84 Ca 0.82 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2ctl h ILE 84 Cb 2.79 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 39.06 2ctl h ILE 84 CO -0.33 0.04 -0.41 0.52 0.00 0.00 0.00 178.15 177.97 2ctl n VAL 85 N -5.06 -0.47 -0.39 1.67 0.31 0.95 0.03 118.33 115.37 2ctl n VAL 85 Ca -0.06 1.71 -0.05 0.00 -0.01 0.00 0.00 64.34 65.93 2ctl n VAL 85 Cb 0.20 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 30.99 2ctl n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ctl n GLY 86 N -1.19 -2.22 0.48 2.92 0.00 -1.09 -1.39 105.19 102.70 2ctl n GLY 86 Ca 0.02 1.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.96 2ctl n GLY 86 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctl h GLU 87 N 0.00 -1.11 -0.79 1.61 4.39 -0.52 -2.69 114.58 115.47 2ctl h GLU 87 Ca 0.26 0.08 0.29 0.00 0.34 0.00 0.00 59.36 60.32 2ctl h GLU 87 Cb 0.50 0.25 -0.14 0.00 -0.10 0.00 0.00 28.75 29.26 2ctl h GLU 87 CO -0.94 -0.74 0.27 1.28 -1.16 0.00 0.00 179.01 177.72 2ctl n LEU 88 N -5.60 0.13 0.33 1.33 4.77 -0.48 0.75 117.00 118.24 2ctl n LEU 88 Ca -0.15 1.32 -0.17 0.00 -0.03 0.00 0.00 56.01 56.98 2ctl n LEU 88 Cb 0.47 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2ctl n LEU 88 CO 0.37 -1.43 0.66 -0.33 -1.33 0.00 0.00 177.39 175.34 2ctl h GLU 89 N 0.00 -0.81 -0.94 3.23 5.08 -1.00 -2.95 114.58 117.19 2ctl h GLU 89 Ca 0.60 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 59.19 2ctl h GLU 89 Cb 1.47 0.18 -0.17 0.00 0.50 0.00 0.00 28.75 30.73 2ctl h GLU 89 CO -0.66 -0.54 -0.26 1.96 -1.00 0.00 0.00 179.01 178.51 2ctl h GLN 90 N -0.84 -0.01 -5.97 2.33 4.20 0.40 -3.38 115.11 111.85 2ctl h GLN 90 Ca -0.08 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.96 2ctl h GLN 90 Cb 0.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2ctl h GLN 90 CO 0.12 -0.00 1.42 -1.33 -0.67 0.00 0.00 178.83 178.37 2ctl n MET 91 N -5.58 1.04 -3.68 1.46 2.81 -1.09 -4.91 117.12 107.17 2ctl n MET 91 Ca 0.14 0.28 -0.25 0.00 -1.81 0.00 0.00 57.70 56.05 2ctl n MET 91 Cb 0.46 -2.44 -0.17 0.00 -0.71 0.00 0.00 33.22 30.36 2ctl n MET 91 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ctl s SER 92 N 7.37 2.24 0.00 7.83 1.04 -1.26 -5.02 113.70 125.91 2ctl s SER 92 Ca 1.10 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2ctl s SER 92 Cb -0.87 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2ctl s SER 92 CO 0.49 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2ctl n GLY 93 N 5.19 -1.80 0.23 7.32 0.00 -1.26 -4.30 105.19 110.57 2ctl n GLY 93 Ca -0.07 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.00 -6.76 1.61 0.13 -2.03 -3.45 132.00 121.50 2ctl h PRO 94 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2ctl h PRO 94 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2ctl h PRO 94 CO 0.00 0.00 0.34 0.43 -0.23 0.00 0.00 178.00 178.54 2ctl n SER 95 N -2.82 1.94 -4.96 1.44 7.64 -1.26 -5.00 113.62 110.61 2ctl n SER 95 Ca 0.01 1.06 -0.23 0.00 1.01 0.00 0.00 58.87 60.72 2ctl n SER 95 Cb 0.27 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 2ctl n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctl s SER 96 N -0.66 6.31 0.00 6.43 1.04 -1.26 -4.66 113.70 120.90 2ctl s SER 96 Ca 0.63 0.10 0.32 0.00 0.48 0.00 0.00 55.95 57.48 2ctl s SER 96 Cb -0.52 -1.87 1.90 0.00 0.10 0.00 0.00 66.02 65.62 2ctl s SER 96 CO 0.57 -0.02 2.22 0.61 0.98 0.00 0.00 173.24 177.59