#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 4.31 0.10 1.61 0.01 -1.26 -5.06 113.70 113.40 2ctl s SER 2 Ca 0.00 -2.93 -0.25 0.00 1.31 0.00 0.00 55.95 54.08 2ctl s SER 2 Cb 0.00 -1.60 0.07 0.00 0.21 0.00 0.00 66.02 64.69 2ctl s SER 2 CO 0.00 -0.24 0.61 -0.44 0.41 0.00 0.00 173.24 173.58 2ctl s SER 3 N -0.17 -0.58 -0.43 2.44 0.01 -1.26 -5.13 113.70 108.58 2ctl s SER 3 Ca 0.17 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.68 2ctl s SER 3 Cb -0.25 0.57 0.18 0.00 0.21 0.00 0.00 66.02 66.73 2ctl s SER 3 CO -0.01 -0.86 0.63 -0.83 0.41 0.00 0.00 173.24 172.58 2ctl s GLY 4 N -2.30 -1.13 -0.29 3.44 0.00 -1.26 -5.13 107.32 100.64 2ctl s GLY 4 Ca -0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 2ctl s GLY 4 CO -0.06 3.57 0.70 -0.45 0.00 0.00 0.00 173.10 176.86 2ctl s SER 5 N 1.57 -1.02 -0.26 1.64 0.15 -1.26 -5.06 113.70 109.46 2ctl s SER 5 Ca 0.19 1.47 -0.08 0.00 0.70 0.00 0.00 55.95 58.24 2ctl s SER 5 Cb -0.04 1.96 -0.13 0.00 -1.71 0.00 0.00 66.02 66.09 2ctl s SER 5 CO -0.06 -0.21 -0.30 -1.54 1.20 0.00 0.00 173.24 172.32 2ctl n SER 6 N 5.03 1.95 0.00 5.45 3.41 -1.26 -5.12 113.62 123.08 2ctl n SER 6 Ca -0.14 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2ctl n SER 6 Cb 0.52 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.69 -1.83 3.94 5.00 0.00 -1.26 -4.98 105.19 107.74 2ctl n GLY 7 Ca -0.50 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.31 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 0.00 3.49 -0.14 1.61 8.01 -1.26 -5.11 118.70 125.30 2ctl s GLU 8 Ca 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 54.97 54.49 2ctl s GLU 8 Cb 0.00 -2.88 0.07 0.00 -4.31 0.00 0.00 34.13 27.01 2ctl s GLU 8 CO 0.00 0.44 0.23 -0.65 0.01 0.00 0.00 175.26 175.28 2ctl s GLN 9 N -3.35 0.13 -1.16 1.61 -0.21 -1.26 -5.08 119.66 110.33 2ctl s GLN 9 Ca 0.37 0.56 -0.19 0.00 0.02 0.00 0.00 55.36 56.12 2ctl s GLN 9 Cb -0.11 -0.39 0.09 0.00 1.00 0.00 0.00 33.01 33.59 2ctl s GLN 9 CO 0.29 -0.39 1.54 -2.00 -2.12 0.00 0.00 175.29 172.61 2ctl s GLU 10 N 2.37 3.84 -0.23 2.91 2.56 -1.26 -4.71 118.70 124.18 2ctl s GLU 10 Ca 0.03 -1.80 -0.18 0.00 0.00 0.00 0.00 54.97 53.03 2ctl s GLU 10 Cb -0.13 -5.34 -0.15 0.00 2.00 0.00 0.00 34.13 30.51 2ctl s GLU 10 CO -0.09 -2.11 -0.07 -0.40 -0.56 0.00 0.00 175.26 172.03 2ctl n ASP 11 N 7.92 1.90 -0.42 -1.70 5.75 -1.26 -3.75 116.55 124.98 2ctl n ASP 11 Ca 0.39 0.40 0.36 0.00 -0.01 0.00 0.00 54.79 55.93 2ctl n ASP 11 Cb 0.47 -0.89 0.61 0.00 -1.03 0.00 0.00 41.12 40.29 2ctl n ASP 11 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2ctl n ARG 12 N -4.37 -0.03 -0.05 0.11 1.85 -1.26 0.48 116.66 113.38 2ctl n ARG 12 Ca -0.39 1.16 -0.12 0.00 -1.00 0.00 0.00 57.85 57.50 2ctl n ARG 12 Cb 0.73 -2.26 -0.11 0.00 -1.05 0.00 0.00 32.46 29.77 2ctl n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctl h ALA 13 N 1.49 -0.02 -0.41 2.89 0.00 -1.95 -3.05 119.26 118.21 2ctl h ALA 13 Ca 0.80 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2ctl h ALA 13 Cb 2.55 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.28 2ctl h ALA 13 CO -0.45 -0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 178.61 2ctl h LEU 14 N -0.92 -0.28 -1.98 0.00 3.38 -0.06 0.69 115.31 116.14 2ctl h LEU 14 Ca -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ctl h LEU 14 Cb 0.78 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ctl h LEU 14 CO 0.00 -0.10 -0.02 0.08 0.09 0.00 0.00 178.44 178.49 2ctl h ARG 15 N 0.05 0.00 -1.39 1.13 0.11 -0.95 -2.00 114.38 111.33 2ctl h ARG 15 Ca 0.20 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.08 2ctl h ARG 15 Cb 0.30 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.28 2ctl h ARG 15 CO -0.38 0.02 0.25 0.45 0.10 0.00 0.00 179.97 180.41 2ctl n SER 16 N -4.47 4.88 -4.61 0.08 2.88 0.23 -3.33 113.62 109.28 2ctl n SER 16 Ca -0.03 -2.70 -0.39 0.00 -1.33 0.00 0.00 58.87 54.42 2ctl n SER 16 Cb 0.11 -0.88 -0.09 0.00 -0.75 0.00 0.00 64.21 62.60 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 -1.14 3.26 -0.21 0.66 2.19 -0.75 -4.99 117.98 116.99 2ctl s PHE 17 Ca 0.20 0.39 -0.05 0.00 0.33 0.00 0.00 56.93 57.79 2ctl s PHE 17 Cb 0.16 -2.53 -0.02 0.00 -1.31 0.00 0.00 43.02 39.31 2ctl s PHE 17 CO 0.01 -0.19 0.01 0.21 1.83 0.00 0.00 175.22 177.10 2ctl s LYS 18 N 1.92 3.60 0.15 10.12 2.20 -1.26 -2.46 119.74 134.01 2ctl s LYS 18 Ca 0.14 -0.52 0.07 0.00 -0.36 0.00 0.00 55.97 55.30 2ctl s LYS 18 Cb -0.16 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2ctl s LYS 18 CO 0.10 -0.06 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.83 2ctl s LEU 19 N 1.20 3.26 -0.18 5.43 2.96 -0.08 -4.95 118.68 126.32 2ctl s LEU 19 Ca 0.03 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2ctl s LEU 19 Cb -0.14 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ctl s LEU 19 CO 0.02 0.12 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.11 2ctl s SER 20 N -2.70 3.05 -0.28 3.68 1.04 -1.25 -1.65 113.70 115.60 2ctl s SER 20 Ca 0.26 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2ctl s SER 20 Cb -0.10 -1.18 -0.05 0.00 0.10 0.00 0.00 66.02 64.80 2ctl s SER 20 CO 0.17 -0.11 0.17 -0.69 0.98 0.00 0.00 173.24 173.76 2ctl s VAL 21 N 1.46 5.17 -0.44 5.02 1.01 -0.26 -4.84 120.40 127.51 2ctl s VAL 21 Ca 0.01 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2ctl s VAL 21 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.79 2ctl s VAL 21 CO -0.09 0.26 1.10 -0.89 0.00 0.00 0.00 175.10 175.48 2ctl s THR 22 N 1.74 4.29 -0.28 3.92 2.01 -1.26 -0.78 115.64 125.28 2ctl s THR 22 Ca 0.07 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 2ctl s THR 22 Cb -0.16 -4.55 0.11 0.00 0.01 0.00 0.00 72.50 67.91 2ctl s THR 22 CO 0.10 -0.89 0.63 -0.69 -0.69 0.00 0.00 174.62 173.08 2ctl s VAL 23 N 4.22 -0.69 0.32 3.82 1.01 0.67 -5.02 120.40 124.72 2ctl s VAL 23 Ca 0.46 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 2ctl s VAL 23 Cb -0.08 -0.95 -0.14 0.00 0.00 0.00 0.00 36.38 35.20 2ctl s VAL 23 CO 0.28 0.01 0.17 0.47 0.00 0.00 0.00 175.10 176.03 2ctl n ASP 24 N 5.14 -2.24 0.00 3.32 9.92 -1.26 -4.36 116.55 127.07 2ctl n ASP 24 Ca -0.14 0.79 0.08 0.00 -0.53 0.00 0.00 54.79 54.99 2ctl n ASP 24 Cb 0.52 -0.81 0.44 0.00 -0.64 0.00 0.00 41.12 40.63 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 1.13 0.42 -0.01 -0.24 -0.04 -1.26 -2.95 135.00 132.05 2ctl n PRO 25 Ca 0.11 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 2ctl n PRO 25 Cb 0.33 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.36 0.00 0.54 2.10 -1.91 -3.27 116.57 114.39 2ctl h LYS 26 Ca 0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2ctl h LYS 26 Cb 0.03 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2ctl h LYS 26 CO 0.00 1.05 -0.13 1.88 -2.00 0.00 0.00 179.45 180.25 2ctl h TYR 27 N -0.18 0.00 -0.35 0.07 0.05 -1.87 -3.36 116.97 111.32 2ctl h TYR 27 Ca -0.06 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.76 2ctl h TYR 27 Cb 1.23 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.89 2ctl h TYR 27 CO 0.15 0.00 -0.55 0.45 -1.05 0.00 0.00 178.16 177.16 2ctl h HIS 28 N 0.00 -1.67 0.00 4.88 3.86 -1.60 0.37 115.15 120.98 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 0.91 0.78 0.00 0.00 1.06 0.00 0.00 27.41 30.15 2ctl h HIS 28 CO 0.00 -0.50 0.00 -0.35 0.86 0.00 0.00 177.93 177.94 2ctl n PRO 29 N -5.35 0.07 0.00 2.45 -0.04 -1.26 -2.44 135.00 128.44 2ctl n PRO 29 Ca -0.04 0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2ctl n PRO 29 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.06 -0.02 0.54 1.79 -0.55 -3.37 116.57 115.02 2ctl h LYS 30 Ca 0.00 -0.10 -0.19 0.00 -2.18 0.00 0.00 60.65 58.19 2ctl h LYS 30 Cb 0.21 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2ctl h LYS 30 CO 0.00 0.71 -0.72 0.82 -1.08 0.00 0.00 179.45 179.18 2ctl h ILE 31 N 0.02 1.37 -0.81 1.86 2.04 -0.54 -3.28 117.51 118.16 2ctl h ILE 31 Ca -0.26 -2.09 0.20 0.00 1.00 0.00 0.00 64.86 63.71 2ctl h ILE 31 Cb 1.98 2.47 -0.14 0.00 -0.74 0.00 0.00 36.82 40.40 2ctl h ILE 31 CO 0.10 0.62 0.08 0.40 0.00 0.00 0.00 178.15 179.35 2ctl h ILE 32 N 0.08 0.31 0.00 -0.67 2.04 -1.70 -3.32 117.51 114.25 2ctl h ILE 32 Ca -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ctl h ILE 32 Cb 1.40 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2ctl h ILE 32 CO 0.14 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2ctl n GLY 33 N -1.41 2.56 0.24 5.37 0.00 -1.24 -3.07 105.19 107.64 2ctl n GLY 33 Ca 0.17 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 2ctl n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctl n ARG 34 N 1.04 -0.25 -0.11 1.61 0.63 -1.26 -2.99 116.66 115.33 2ctl n ARG 34 Ca 0.00 1.18 -0.12 0.00 -0.92 0.00 0.00 57.85 57.99 2ctl n ARG 34 Cb 0.00 -1.74 -0.15 0.00 0.45 0.00 0.00 32.46 31.02 2ctl n ARG 34 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2ctl n LYS 35 N -4.33 0.74 0.00 -0.14 4.81 -1.26 -5.01 118.16 112.97 2ctl n LYS 35 Ca 0.01 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2ctl n LYS 35 Cb 0.15 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 1.92 1.04 0.11 3.14 0.00 -1.16 -5.07 105.19 105.18 2ctl n GLY 36 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 0.84 -0.25 4.61 0.00 -1.24 -3.71 120.51 120.76 2ctl n ALA 37 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.82 2ctl n ALA 37 Cb 0.00 -0.54 -0.01 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 -0.76 0.08 -1.00 0.00 2.07 -1.84 0.24 116.25 115.05 2ctl h VAL 38 Ca -0.39 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2ctl h VAL 38 Cb 1.49 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2ctl h VAL 38 CO -0.16 0.00 0.65 -0.29 0.02 0.00 0.00 177.57 177.79 2ctl h ILE 39 N -0.15 1.26 0.41 4.57 6.09 -1.64 -2.87 117.51 125.18 2ctl h ILE 39 Ca 0.22 -0.48 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 2ctl h ILE 39 Cb 0.56 -0.20 -0.01 0.00 0.47 0.00 0.00 36.82 37.63 2ctl h ILE 39 CO -0.76 0.25 -0.31 0.74 -3.07 0.00 0.00 178.15 175.00 2ctl h THR 40 N 1.36 0.35 -0.76 2.19 2.02 -0.71 0.13 112.91 117.48 2ctl h THR 40 Ca 0.36 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.72 2ctl h THR 40 Cb -0.14 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 66.50 2ctl h THR 40 CO -0.08 0.00 0.14 -0.61 0.37 0.00 0.00 175.52 175.34 2ctl h GLN 41 N -0.72 0.20 -0.17 6.66 -0.00 -0.77 0.21 115.11 120.53 2ctl h GLN 41 Ca -0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.57 2ctl h GLN 41 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 2ctl h GLN 41 CO 0.00 0.13 -0.01 0.82 0.00 0.00 0.00 178.83 179.78 2ctl h ILE 42 N 0.21 1.26 -0.34 2.39 2.04 -1.27 -0.42 117.51 121.39 2ctl h ILE 42 Ca 0.43 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2ctl h ILE 42 Cb 0.77 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 2ctl h ILE 42 CO -0.58 0.26 0.08 0.03 0.00 0.00 0.00 178.15 177.95 2ctl h ARG 43 N 0.04 0.20 -0.59 2.37 3.08 0.75 -1.96 114.38 118.27 2ctl h ARG 43 Ca 0.05 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2ctl h ARG 43 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2ctl h ARG 43 CO 0.01 0.13 0.02 -0.07 -1.07 0.00 0.00 179.97 179.00 2ctl h LEU 44 N 0.21 1.00 -0.05 3.04 3.38 -0.64 1.02 115.31 123.28 2ctl h LEU 44 Ca 0.16 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2ctl h LEU 44 Cb 0.17 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2ctl h LEU 44 CO -0.20 1.05 -0.31 -0.08 0.09 0.00 0.00 178.44 178.99 2ctl h GLU 45 N 0.92 -0.42 0.00 1.13 4.57 -0.50 -1.85 114.58 118.42 2ctl h GLU 45 Ca 0.17 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2ctl h GLU 45 Cb 0.52 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2ctl h GLU 45 CO 0.03 -0.28 -0.37 0.72 -1.18 0.00 0.00 179.01 177.92 2ctl n HIS 46 N -5.41 0.04 -3.18 0.92 8.25 -0.79 -4.96 115.22 110.09 2ctl n HIS 46 Ca -0.04 0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 2ctl n HIS 46 Cb 0.32 -0.34 0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.54 -2.12 -4.37 0.41 8.00 0.33 -4.75 116.55 112.51 2ctl n ASP 47 Ca 0.06 -0.52 -0.25 0.00 0.71 0.00 0.00 54.79 54.79 2ctl n ASP 47 Cb 0.34 -4.34 -0.09 0.00 -0.02 0.00 0.00 41.12 37.01 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ctl s VAL 48 N -3.30 0.99 -0.23 2.53 -7.23 0.34 -4.84 120.40 108.67 2ctl s VAL 48 Ca 0.01 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2ctl s VAL 48 Cb -0.00 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2ctl s VAL 48 CO 0.61 0.00 -0.10 0.21 -0.31 0.00 0.00 175.10 175.50 2ctl s ASN 49 N -3.60 4.01 -0.31 4.85 3.84 -0.53 -4.61 114.94 118.59 2ctl s ASN 49 Ca 0.27 -0.82 -0.07 0.00 0.21 0.00 0.00 52.86 52.45 2ctl s ASN 49 Cb 0.05 -1.61 0.02 0.00 -0.55 0.00 0.00 41.25 39.16 2ctl s ASN 49 CO 0.13 -0.09 0.10 -0.63 -2.79 0.00 0.00 177.10 173.83 2ctl s ILE 50 N 1.31 4.02 -0.16 -5.21 1.01 -1.26 -0.54 121.20 120.37 2ctl s ILE 50 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2ctl s ILE 50 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.20 2ctl s ILE 50 CO -0.07 -0.00 -0.20 -1.58 0.00 0.00 0.00 174.94 173.09 2ctl s GLN 51 N 1.49 3.02 0.31 2.79 0.74 0.75 -5.02 119.66 123.75 2ctl s GLN 51 Ca 0.02 -0.83 -0.08 0.00 0.05 0.00 0.00 55.36 54.51 2ctl s GLN 51 Cb -0.18 -2.51 -0.06 0.00 1.10 0.00 0.00 33.01 31.35 2ctl s GLN 51 CO 0.03 -0.10 0.62 -0.06 -0.55 0.00 0.00 175.29 175.24 2ctl s PHE 52 N 1.03 3.45 0.70 1.67 0.40 -1.26 -1.60 117.98 122.38 2ctl s PHE 52 Ca -0.02 0.85 -0.13 0.00 -0.60 0.00 0.00 56.93 57.04 2ctl s PHE 52 Cb -0.14 -2.27 0.02 0.00 0.51 0.00 0.00 43.02 41.14 2ctl s PHE 52 CO -0.07 0.11 1.10 -1.25 0.70 0.00 0.00 175.22 175.82 2ctl s PRO 53 N -3.40 2.58 -0.12 0.24 0.04 -1.26 -4.95 135.00 128.13 2ctl s PRO 53 Ca 0.48 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 2ctl s PRO 53 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2ctl s PRO 53 CO 0.27 -1.41 -0.05 0.34 0.04 0.00 0.00 177.00 176.19 2ctl s ASP 54 N -2.92 4.71 0.33 6.66 2.15 -1.26 -4.95 116.67 121.40 2ctl s ASP 54 Ca 0.65 -0.10 0.11 0.00 0.43 0.00 0.00 52.55 53.64 2ctl s ASP 54 Cb -0.19 -1.57 0.58 0.00 -0.30 0.00 0.00 42.92 41.43 2ctl s ASP 54 CO 0.47 0.24 1.75 0.07 -0.17 0.00 0.00 175.17 177.53 2ctl h LYS 55 N 6.18 0.05 -0.91 4.34 5.09 -1.96 -3.00 116.57 126.36 2ctl h LYS 55 Ca -0.37 -0.02 0.11 0.00 0.09 0.00 0.00 60.65 60.46 2ctl h LYS 55 Cb 1.19 -0.00 -0.08 0.00 0.10 0.00 0.00 32.23 33.44 2ctl h LYS 55 CO 0.59 0.48 0.54 -0.44 -2.09 0.00 0.00 179.45 178.53 2ctl h ASP 56 N 0.04 0.78 0.27 7.07 3.32 -2.00 -3.05 116.42 122.85 2ctl h ASP 56 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2ctl h ASP 56 Cb 0.80 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2ctl h ASP 56 CO 0.06 0.43 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.10 2ctl h ASP 57 N 0.88 -0.30 0.00 6.45 3.58 -1.92 -3.47 116.42 121.63 2ctl h ASP 57 Ca 0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2ctl h ASP 57 Cb 0.44 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2ctl h ASP 57 CO -0.26 -0.19 0.00 0.61 -2.88 0.00 0.00 179.24 176.51 2ctl n GLY 58 N -0.72 1.89 0.31 -0.78 0.00 -1.16 -4.75 105.19 99.98 2ctl n GLY 58 Ca -0.04 -0.55 0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 4.01 0.20 -4.83 1.61 4.13 -1.26 -4.34 115.26 114.78 2ctl n ASN 59 Ca 0.00 1.58 -0.33 0.00 1.68 0.00 0.00 54.58 57.51 2ctl n ASN 59 Cb 0.00 -0.71 -0.05 0.00 -1.54 0.00 0.00 39.78 37.48 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 4.06 0.19 3.52 -2.07 -1.26 -5.02 119.66 113.50 2ctl s GLN 60 Ca -0.10 1.06 -0.30 0.00 -1.82 0.00 0.00 55.36 54.20 2ctl s GLN 60 Cb 0.31 -2.15 -0.09 0.00 -1.09 0.00 0.00 33.01 29.99 2ctl s GLN 60 CO 0.74 -0.18 1.31 -1.25 -1.32 0.00 0.00 175.29 174.59 2ctl s PRO 61 N -3.60 4.38 0.14 9.60 0.04 -1.26 -4.93 135.00 139.38 2ctl s PRO 61 Ca 0.61 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.92 2ctl s PRO 61 Cb -0.10 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2ctl s PRO 61 CO 0.22 -0.27 0.94 1.04 0.04 0.00 0.00 177.00 178.97 2ctl n GLN 62 N 2.81 0.58 0.07 4.56 1.13 -1.26 -3.95 117.38 121.33 2ctl n GLN 62 Ca 0.07 0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.29 2ctl n GLN 62 Cb 0.43 -1.75 0.08 0.00 0.11 0.00 0.00 30.24 29.11 2ctl n GLN 62 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2ctl h ASP 63 N 0.00 0.00 -3.30 1.08 3.04 -1.90 -3.36 116.42 111.98 2ctl h ASP 63 Ca 0.00 -0.15 -0.57 0.00 -3.24 0.00 0.00 57.03 53.07 2ctl h ASP 63 Cb 0.97 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.20 2ctl h ASP 63 CO 0.00 0.08 -0.07 -1.10 -2.04 0.00 0.00 179.24 176.11 2ctl s GLN 64 N -3.25 4.31 -0.19 4.15 -1.52 -1.25 -0.24 119.66 121.66 2ctl s GLN 64 Ca 0.03 0.61 -0.05 0.00 -1.95 0.00 0.00 55.36 54.00 2ctl s GLN 64 Cb 0.12 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 2ctl s GLN 64 CO 0.76 0.27 -0.00 0.42 -0.25 0.00 0.00 175.29 176.49 2ctl s ILE 65 N 0.19 3.98 -0.09 1.08 1.01 0.04 -4.11 121.20 123.29 2ctl s ILE 65 Ca 0.29 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2ctl s ILE 65 Cb -0.17 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2ctl s ILE 65 CO 0.14 0.44 0.55 -0.89 0.00 0.00 0.00 174.94 175.18 2ctl s THR 66 N 0.86 5.13 -0.05 2.92 2.01 -0.63 -1.11 115.64 124.77 2ctl s THR 66 Ca 0.01 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 2ctl s THR 66 Cb -0.14 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.51 2ctl s THR 66 CO 0.02 0.32 0.00 -0.63 -0.69 0.00 0.00 174.62 173.64 2ctl s ILE 67 N 0.58 0.29 0.13 1.82 1.01 -0.66 -0.18 121.20 124.21 2ctl s ILE 67 Ca 0.29 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.10 2ctl s ILE 67 Cb -0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2ctl s ILE 67 CO 0.13 0.22 0.16 -0.89 0.00 0.00 0.00 174.94 174.55 2ctl s THR 68 N 1.64 4.73 0.00 2.92 2.01 0.30 -0.90 115.64 126.33 2ctl s THR 68 Ca -0.01 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2ctl s THR 68 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2ctl s THR 68 CO -0.03 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2ctl n GLY 69 N -0.14 2.05 3.56 4.40 0.00 -1.03 -1.45 105.19 112.59 2ctl n GLY 69 Ca -0.08 -1.93 -0.47 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.76 1.10 0.21 1.61 4.02 -1.25 -3.95 117.16 117.14 2ctl n TYR 70 Ca 0.00 0.72 0.16 0.00 -0.01 0.00 0.00 57.90 58.77 2ctl n TYR 70 Cb 0.00 -2.23 0.63 0.00 -0.02 0.00 0.00 39.34 37.72 2ctl n TYR 70 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2ctl h GLU 71 N 2.60 0.00 0.00 -0.72 4.81 -1.91 0.20 114.58 119.56 2ctl h GLU 71 Ca -0.40 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.69 2ctl h GLU 71 Cb 1.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2ctl h GLU 71 CO 0.65 0.00 -0.97 0.36 -0.73 0.00 0.00 179.01 178.32 2ctl n LYS 72 N -3.10 0.52 -0.13 1.92 0.00 -1.26 -3.57 118.16 112.54 2ctl n LYS 72 Ca 0.03 0.55 0.11 0.00 -0.00 0.00 0.00 58.31 59.01 2ctl n LYS 72 Cb 0.66 -1.72 0.46 0.00 -0.00 0.00 0.00 35.03 34.43 2ctl n LYS 72 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2ctl h ASN 73 N -1.00 0.46 0.47 -5.58 4.21 -1.55 -2.23 115.58 110.36 2ctl h ASN 73 Ca -0.21 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 2ctl h ASN 73 Cb 0.98 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 2ctl h ASN 73 CO -0.13 0.27 -0.23 0.71 -1.29 0.00 0.00 177.43 176.76 2ctl h THR 74 N 0.50 0.00 -1.10 2.81 1.35 -0.84 -2.70 112.91 112.94 2ctl h THR 74 Ca 0.32 -0.17 0.32 0.00 -0.55 0.00 0.00 66.41 66.33 2ctl h THR 74 Cb 0.56 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.86 2ctl h THR 74 CO -0.10 0.00 0.68 -0.33 -0.25 0.00 0.00 175.52 175.52 2ctl h GLU 75 N -0.81 0.30 -0.19 4.72 4.39 -1.57 1.11 114.58 122.54 2ctl h GLU 75 Ca -0.07 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 2ctl h GLU 75 Cb 0.49 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2ctl h GLU 75 CO 0.11 0.20 -0.10 0.00 -1.16 0.00 0.00 179.01 178.06 2ctl h ALA 76 N 1.70 1.49 0.09 3.43 0.00 -1.34 -2.19 119.26 122.43 2ctl h ALA 76 Ca 0.70 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 55.20 2ctl h ALA 76 Cb 1.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 2ctl h ALA 76 CO -0.44 0.36 -1.05 0.00 0.00 0.00 0.00 179.25 178.12 2ctl h ALA 77 N 1.62 0.11 -0.09 0.00 0.00 0.14 -3.32 119.26 117.72 2ctl h ALA 77 Ca 0.06 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.06 2ctl h ALA 77 Cb 0.36 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ctl h ALA 77 CO 0.02 0.59 0.16 0.07 0.00 0.00 0.00 179.25 180.09 2ctl h ARG 78 N -0.52 0.00 -0.26 0.00 -0.00 -0.57 -0.02 114.38 113.01 2ctl h ARG 78 Ca -0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.66 2ctl h ARG 78 Cb 1.56 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.51 2ctl h ARG 78 CO 0.03 0.00 -0.20 0.22 -0.00 0.00 0.00 179.97 180.02 2ctl h ASP 79 N 0.00 0.46 0.49 0.08 3.58 -1.49 -3.21 116.42 116.33 2ctl h ASP 79 Ca 0.04 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2ctl h ASP 79 Cb 0.36 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2ctl h ASP 79 CO -0.00 0.68 -0.23 0.00 -2.88 0.00 0.00 179.24 176.80 2ctl h ALA 80 N 1.37 -0.65 -1.21 -0.78 0.00 -1.15 -0.49 119.26 116.35 2ctl h ALA 80 Ca 0.07 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.24 2ctl h ALA 80 Cb 0.59 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 2ctl h ALA 80 CO 0.04 -0.70 0.73 0.82 0.00 0.00 0.00 179.25 180.14 2ctl h ILE 81 N -0.98 0.02 0.05 0.00 2.04 -1.56 0.33 117.51 117.42 2ctl h ILE 81 Ca -0.07 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2ctl h ILE 81 Cb 0.60 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2ctl h ILE 81 CO 0.11 0.00 -0.47 -0.07 0.00 0.00 0.00 178.15 177.72 2ctl h LEU 82 N 0.02 0.18 -1.75 1.44 3.38 -1.54 -3.13 115.31 113.91 2ctl h LEU 82 Ca 0.86 -0.93 0.33 0.00 0.09 0.00 0.00 57.88 58.23 2ctl h LEU 82 Cb 2.55 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 43.19 2ctl h LEU 82 CO -0.59 1.21 0.97 -0.09 0.09 0.00 0.00 178.44 180.03 2ctl h ARG 83 N -0.75 0.00 0.00 1.13 2.43 0.13 -1.72 114.38 115.60 2ctl h ARG 83 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2ctl h ARG 83 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2ctl h ARG 83 CO 0.03 0.00 -0.12 0.82 -1.51 0.00 0.00 179.97 179.20 2ctl h ILE 84 N 0.00 0.00 -0.70 1.20 2.04 -1.39 -3.36 117.51 115.30 2ctl h ILE 84 Ca 0.54 -0.67 0.26 0.00 1.00 0.00 0.00 64.86 65.98 2ctl h ILE 84 Cb 2.48 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.43 2ctl h ILE 84 CO -0.01 0.00 0.24 0.52 0.00 0.00 0.00 178.15 178.91 2ctl n VAL 85 N -3.86 -0.29 -0.15 1.67 0.31 -0.69 0.18 118.33 115.49 2ctl n VAL 85 Ca -0.02 1.46 -0.04 0.00 -0.01 0.00 0.00 64.34 65.73 2ctl n VAL 85 Cb 0.06 -2.28 0.05 0.00 -0.91 0.00 0.00 33.84 30.77 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 0.65 0.68 2.92 0.00 -1.59 -1.66 103.07 104.07 2ctl h GLY 86 Ca 0.53 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 2ctl h GLY 86 CO -0.58 0.04 -0.23 1.05 0.00 0.00 0.00 176.54 176.83 2ctl h GLU 87 N 0.38 0.32 -1.01 4.80 4.11 0.18 -3.19 114.58 120.18 2ctl h GLU 87 Ca 0.22 -0.22 0.23 0.00 0.07 0.00 0.00 59.36 59.67 2ctl h GLU 87 Cb 0.21 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.37 2ctl h GLU 87 CO -0.21 0.82 0.61 -0.07 0.07 0.00 0.00 179.01 180.24 2ctl h LEU 88 N -0.14 0.68 0.76 3.06 3.38 -1.02 -2.02 115.31 120.01 2ctl h LEU 88 Ca -0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2ctl h LEU 88 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2ctl h LEU 88 CO 0.05 0.16 -0.42 -0.33 0.09 0.00 0.00 178.44 177.99 2ctl h GLU 89 N 0.61 -1.05 -1.94 1.13 5.08 -1.29 -2.80 114.58 114.32 2ctl h GLU 89 Ca 0.61 0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.92 2ctl h GLU 89 Cb 1.16 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 2ctl h GLU 89 CO -0.42 -0.70 -0.03 0.94 -1.00 0.00 0.00 179.01 177.81 2ctl n GLN 90 N -5.10 1.46 0.08 2.33 7.27 -0.79 -4.16 117.38 118.47 2ctl n GLN 90 Ca -0.13 -0.61 -0.23 0.00 0.07 0.00 0.00 57.00 56.09 2ctl n GLN 90 Cb 0.44 -1.42 -0.15 0.00 2.41 0.00 0.00 30.24 31.53 2ctl n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ctl h MET 91 N 1.71 0.41 -6.63 3.69 -0.00 -1.20 -3.47 114.93 109.44 2ctl h MET 91 Ca 0.11 -0.69 -0.56 0.00 -0.00 0.00 0.00 59.70 58.56 2ctl h MET 91 Cb 1.11 0.26 0.19 0.00 -0.00 0.00 0.00 31.60 33.16 2ctl h MET 91 CO 0.21 1.33 -0.46 0.43 -0.00 0.00 0.00 176.91 178.42 2ctl n SER 92 N -3.60 -1.44 0.00 -0.10 7.64 -1.26 -5.00 113.62 109.87 2ctl n SER 92 Ca -0.24 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2ctl n SER 92 Cb 1.08 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2ctl n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 93 N 1.70 0.43 3.77 0.23 0.00 -1.26 -5.09 105.19 104.97 2ctl n GLY 93 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.47 -0.22 1.61 0.04 -1.26 -5.07 135.00 132.57 2ctl s PRO 94 Ca 0.00 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2ctl s PRO 94 Cb 0.00 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2ctl s PRO 94 CO 0.00 -1.49 0.93 0.45 0.04 0.00 0.00 177.00 176.94 2ctl s SER 95 N -3.05 -0.50 -0.30 6.66 0.15 -1.26 -5.14 113.70 110.26 2ctl s SER 95 Ca 0.64 0.83 -0.18 0.00 0.70 0.00 0.00 55.95 57.94 2ctl s SER 95 Cb -0.19 0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2ctl s SER 95 CO 0.50 -0.27 0.50 -0.44 1.20 0.00 0.00 173.24 174.73 2ctl s SER 96 N -0.24 6.36 0.00 5.45 0.01 -1.26 -5.34 113.70 118.68 2ctl s SER 96 Ca -0.00 0.25 0.19 0.00 1.31 0.00 0.00 55.95 57.70 2ctl s SER 96 Cb -0.03 -2.27 0.15 0.00 0.21 0.00 0.00 66.02 64.08 2ctl s SER 96 CO -0.01 -0.36 1.10 0.61 0.41 0.00 0.00 173.24 174.99