#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 1.04 -0.21 1.61 0.01 -1.26 -5.09 113.70 109.80 2ctl s SER 2 Ca 0.00 -1.31 -0.12 0.00 1.31 0.00 0.00 55.95 55.84 2ctl s SER 2 Cb 0.00 0.18 -0.09 0.00 0.21 0.00 0.00 66.02 66.32 2ctl s SER 2 CO 0.00 -0.69 -0.29 -1.20 0.41 0.00 0.00 173.24 171.47 2ctl n SER 3 N -0.35 1.60 0.00 2.44 7.64 -1.26 -5.09 113.62 118.60 2ctl n SER 3 Ca -0.02 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ctl n SER 3 Cb 0.65 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2ctl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 4 N 1.63 -2.26 2.99 0.23 0.00 -1.26 -5.09 105.19 101.44 2ctl n GLY 4 Ca -0.40 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 1.41 4.58 -0.34 1.61 0.01 -1.26 -5.07 113.70 114.64 2ctl s SER 5 Ca 0.00 -2.48 -0.08 0.00 1.31 0.00 0.00 55.95 54.71 2ctl s SER 5 Cb 0.00 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.64 2ctl s SER 5 CO 0.00 -0.32 0.13 -0.44 0.41 0.00 0.00 173.24 173.01 2ctl s SER 6 N 0.46 5.40 -0.29 2.44 0.01 -1.26 -5.06 113.70 115.40 2ctl s SER 6 Ca 0.13 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.35 2ctl s SER 6 Cb -0.22 -1.91 0.05 0.00 0.21 0.00 0.00 66.02 64.15 2ctl s SER 6 CO -0.05 -0.32 -0.03 -0.83 0.41 0.00 0.00 173.24 172.42 2ctl s GLY 7 N 1.46 1.72 0.00 3.44 0.00 -1.26 -4.94 107.32 107.74 2ctl s GLY 7 Ca -0.00 -1.75 0.28 0.00 0.00 0.00 0.00 44.72 43.25 2ctl s GLY 7 CO 0.04 0.67 1.89 -1.84 0.00 0.00 0.00 173.10 173.85 2ctl n GLU 8 N 4.58 1.41 -2.95 2.90 0.00 -1.26 -4.86 120.64 120.45 2ctl n GLU 8 Ca -0.14 -0.59 -0.40 0.00 0.00 0.00 0.00 57.16 56.04 2ctl n GLU 8 Cb 0.43 -1.47 -0.06 0.00 0.00 0.00 0.00 31.44 30.34 2ctl n GLU 8 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2ctl s GLN 9 N -1.98 4.59 -0.15 3.44 -1.52 -1.26 -4.97 119.66 117.82 2ctl s GLN 9 Ca 0.40 1.19 0.06 0.00 -1.95 0.00 0.00 55.36 55.06 2ctl s GLN 9 Cb 0.21 -3.27 -0.13 0.00 -0.22 0.00 0.00 33.01 29.59 2ctl s GLN 9 CO 0.33 0.54 -0.06 -0.85 -0.25 0.00 0.00 175.29 175.00 2ctl n GLU 10 N 1.71 1.07 0.22 2.91 -0.00 -1.26 -4.50 120.64 120.78 2ctl n GLU 10 Ca -0.05 0.05 0.06 0.00 -0.00 0.00 0.00 57.16 57.22 2ctl n GLU 10 Cb 0.49 -1.33 0.53 0.00 -0.00 0.00 0.00 31.44 31.13 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2ctl h ASP 11 N 0.00 0.04 -0.73 -1.84 2.03 -2.00 -2.37 116.42 111.54 2ctl h ASP 11 Ca -0.36 -0.00 0.21 0.00 -0.73 0.00 0.00 57.03 56.15 2ctl h ASP 11 Cb 1.67 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 40.13 2ctl h ASP 11 CO -0.02 0.15 0.82 0.08 -1.03 0.00 0.00 179.24 179.24 2ctl h ARG 12 N 0.04 0.00 0.02 4.15 0.11 -2.00 0.96 114.38 117.66 2ctl h ARG 12 Ca 0.01 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.79 2ctl h ARG 12 Cb 0.22 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.26 2ctl h ARG 12 CO 0.01 0.00 -1.71 0.00 0.10 0.00 0.00 179.97 178.38 2ctl h ALA 13 N 1.04 0.71 -0.53 0.08 0.00 -1.73 -3.24 119.26 115.60 2ctl h ALA 13 Ca 0.35 -1.43 -0.09 0.00 0.00 0.00 0.00 54.91 53.74 2ctl h ALA 13 Cb 1.99 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 20.24 2ctl h ALA 13 CO -0.00 1.53 -0.01 -0.07 0.00 0.00 0.00 179.25 180.70 2ctl h LEU 14 N 0.01 0.92 -0.04 0.00 3.38 0.81 -2.45 115.31 117.94 2ctl h LEU 14 Ca -0.29 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2ctl h LEU 14 Cb 2.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2ctl h LEU 14 CO 0.08 1.01 0.00 -2.11 0.09 0.00 0.00 178.44 177.52 2ctl n ARG 15 N -4.27 0.09 -0.98 1.13 1.85 -0.55 -3.03 116.66 110.89 2ctl n ARG 15 Ca 0.01 0.12 -0.04 0.00 -1.00 0.00 0.00 57.85 56.94 2ctl n ARG 15 Cb 0.33 -1.61 0.31 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.77 4.76 -4.64 2.89 2.88 -0.93 -4.17 113.62 112.64 2ctl n SER 16 Ca 0.06 -3.22 -0.42 0.00 -1.33 0.00 0.00 58.87 53.95 2ctl n SER 16 Cb 0.34 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.99 3.25 -0.21 0.66 2.19 -1.17 -4.99 117.98 114.73 2ctl s PHE 17 Ca 0.54 1.16 -0.06 0.00 0.33 0.00 0.00 56.93 58.90 2ctl s PHE 17 Cb 0.43 -3.31 -0.03 0.00 -1.31 0.00 0.00 43.02 38.81 2ctl s PHE 17 CO 0.13 -0.55 0.03 0.21 1.83 0.00 0.00 175.22 176.86 2ctl s LYS 18 N 3.17 3.70 0.07 10.12 2.20 -1.26 -2.89 119.74 134.83 2ctl s LYS 18 Ca 0.39 -0.48 0.08 0.00 -0.36 0.00 0.00 55.97 55.61 2ctl s LYS 18 Cb -0.14 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2ctl s LYS 18 CO 0.10 0.02 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.73 2ctl s LEU 19 N 1.01 2.48 -0.20 5.43 2.96 0.33 -4.96 118.68 125.73 2ctl s LEU 19 Ca 0.03 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2ctl s LEU 19 Cb -0.14 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.16 2ctl s LEU 19 CO 0.02 0.23 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.75 2ctl s SER 20 N -1.59 3.35 -0.18 3.68 0.01 -1.25 -0.61 113.70 117.11 2ctl s SER 20 Ca 0.14 -0.87 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 2ctl s SER 20 Cb -0.10 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.89 2ctl s SER 20 CO 0.05 -0.15 0.65 -0.69 0.41 0.00 0.00 173.24 173.52 2ctl s VAL 21 N 1.41 5.01 -0.73 3.43 1.01 -0.35 -4.77 120.40 125.41 2ctl s VAL 21 Ca -0.01 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 2ctl s VAL 21 Cb -0.16 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2ctl s VAL 21 CO -0.08 0.12 1.16 -0.89 0.00 0.00 0.00 175.10 175.41 2ctl s THR 22 N 1.80 4.00 -0.08 3.92 2.01 -1.26 -0.77 115.64 125.26 2ctl s THR 22 Ca 0.30 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 2ctl s THR 22 Cb -0.16 -4.83 0.04 0.00 0.01 0.00 0.00 72.50 67.56 2ctl s THR 22 CO 0.11 -1.70 0.18 -0.69 -0.69 0.00 0.00 174.62 171.83 2ctl s VAL 23 N 4.94 -0.10 0.30 3.82 1.01 0.90 -5.01 120.40 126.26 2ctl s VAL 23 Ca 0.31 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 2ctl s VAL 23 Cb -0.11 -0.30 -0.16 0.00 0.00 0.00 0.00 36.38 35.82 2ctl s VAL 23 CO 0.11 0.08 0.28 0.47 0.00 0.00 0.00 175.10 176.04 2ctl n ASP 24 N 4.44 -2.06 0.00 3.32 9.92 -1.26 -4.19 116.55 126.72 2ctl n ASP 24 Ca -0.22 0.93 0.07 0.00 -0.53 0.00 0.00 54.79 55.04 2ctl n ASP 24 Cb 0.52 -0.89 0.31 0.00 -0.64 0.00 0.00 41.12 40.42 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 1.15 0.00 -0.07 -0.24 -0.04 -1.25 -2.88 135.00 131.67 2ctl n PRO 25 Ca 0.14 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2ctl n PRO 25 Cb 0.32 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.71 0.00 0.54 2.10 -1.89 -3.15 116.57 114.88 2ctl h LYS 26 Ca 0.00 -0.43 -0.02 0.00 -2.00 0.00 0.00 60.65 58.19 2ctl h LYS 26 Cb 0.25 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ctl h LYS 26 CO 0.00 1.06 -0.27 1.88 -2.00 0.00 0.00 179.45 180.12 2ctl h TYR 27 N 0.43 0.00 -0.49 0.07 0.05 -1.87 -3.36 116.97 111.80 2ctl h TYR 27 Ca 0.02 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2ctl h TYR 27 Cb 1.00 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.66 2ctl h TYR 27 CO 0.08 0.10 -0.56 0.45 -1.05 0.00 0.00 178.16 177.18 2ctl h HIS 28 N 0.00 -1.73 0.00 4.88 3.86 -1.50 0.60 115.15 121.27 2ctl h HIS 28 Ca -0.01 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2ctl h HIS 28 Cb 1.08 0.82 0.00 0.00 1.06 0.00 0.00 27.41 30.37 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 -5.33 0.19 0.04 2.45 -0.04 -1.26 -2.03 135.00 129.02 2ctl n PRO 29 Ca -0.03 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2ctl n PRO 29 Cb 0.33 -1.50 -0.07 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 0.54 0.02 0.54 4.76 0.19 -4.29 118.16 118.61 2ctl n LYS 30 Ca 0.07 -0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 2ctl n LYS 30 Cb 0.12 -1.65 -0.14 0.00 -1.84 0.00 0.00 35.03 31.53 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 0.72 -0.73 -0.18 2.04 -0.27 -3.37 117.51 115.72 2ctl h ILE 31 Ca 0.00 -2.43 0.16 0.00 1.00 0.00 0.00 64.86 63.59 2ctl h ILE 31 Cb 0.93 2.55 -0.13 0.00 -0.74 0.00 0.00 36.82 39.43 2ctl h ILE 31 CO 0.00 0.85 -0.06 0.40 0.00 0.00 0.00 178.15 179.33 2ctl h ILE 32 N 0.07 0.33 0.00 -0.67 2.04 -1.71 -3.35 117.51 114.22 2ctl h ILE 32 Ca -0.39 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2ctl h ILE 32 Cb 2.04 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2ctl h ILE 32 CO 0.11 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.88 2ctl n GLY 33 N -1.43 3.19 0.24 5.37 0.00 -1.26 -1.99 105.19 109.32 2ctl n GLY 33 Ca 0.12 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 0.18 0.00 1.61 3.08 -1.90 -3.14 114.38 114.22 2ctl h ARG 34 Ca 0.00 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 2ctl h ARG 34 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2ctl h ARG 34 CO 0.00 0.12 -2.01 1.63 -1.07 0.00 0.00 179.97 178.64 2ctl n LYS 35 N -5.21 1.35 0.00 0.04 5.02 -1.26 -5.02 118.16 113.07 2ctl n LYS 35 Ca 0.11 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2ctl n LYS 35 Cb 0.38 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 2.23 1.29 0.07 0.72 0.00 -1.19 -4.97 105.19 103.33 2ctl n GLY 36 Ca -0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 1.42 -0.15 4.61 0.00 -1.26 -2.71 120.51 122.42 2ctl n ALA 37 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ctl n ALA 37 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2ctl n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ctl n VAL 38 N -1.88 0.00 0.00 0.00 0.31 -1.25 -2.73 118.33 112.79 2ctl n VAL 38 Ca 0.01 0.71 0.23 0.00 -0.01 0.00 0.00 64.34 65.28 2ctl n VAL 38 Cb 0.13 -1.60 0.73 0.00 -0.91 0.00 0.00 33.84 32.19 2ctl n VAL 38 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 2ctl h ILE 39 N 0.00 0.46 -0.23 2.52 6.09 -1.44 -0.17 117.51 124.74 2ctl h ILE 39 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 2ctl h ILE 39 Cb 0.00 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 2ctl h ILE 39 CO 0.00 0.00 0.01 0.74 -3.07 0.00 0.00 178.15 175.83 2ctl h THR 40 N 0.00 1.25 0.77 2.19 2.02 -1.61 -2.60 112.91 114.92 2ctl h THR 40 Ca 0.27 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2ctl h THR 40 Cb 1.27 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2ctl h THR 40 CO -0.00 0.27 -0.37 -0.61 0.37 0.00 0.00 175.52 175.18 2ctl h GLN 41 N 0.18 -0.99 -1.18 6.66 5.75 -0.83 -2.64 115.11 122.06 2ctl h GLN 41 Ca 0.07 0.07 0.34 0.00 -0.15 0.00 0.00 58.65 58.97 2ctl h GLN 41 Cb 0.38 0.23 -0.09 0.00 1.07 0.00 0.00 27.48 29.06 2ctl h GLN 41 CO 0.01 -0.64 0.78 0.82 -2.65 0.00 0.00 178.83 177.15 2ctl h ILE 42 N -1.16 0.37 0.32 2.39 2.04 -1.55 0.17 117.51 120.09 2ctl h ILE 42 Ca -0.11 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2ctl h ILE 42 Cb 0.81 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2ctl h ILE 42 CO 0.17 0.04 -0.15 0.03 0.00 0.00 0.00 178.15 178.24 2ctl h ARG 43 N 0.22 -0.41 -0.36 2.37 3.08 -1.20 -2.88 114.38 115.20 2ctl h ARG 43 Ca 0.66 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.73 2ctl h ARG 43 Cb 2.03 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 32.15 2ctl h ARG 43 CO -0.27 -0.13 0.16 -0.07 -1.07 0.00 0.00 179.97 178.58 2ctl h LEU 44 N -0.66 0.49 -1.37 3.04 3.38 -0.61 1.74 115.31 121.31 2ctl h LEU 44 Ca -0.04 -0.15 0.29 0.00 0.09 0.00 0.00 57.88 58.07 2ctl h LEU 44 Cb 0.47 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 2ctl h LEU 44 CO 0.07 0.50 0.70 -0.08 0.09 0.00 0.00 178.44 179.72 2ctl h GLU 45 N 0.44 0.33 -0.01 1.13 4.57 -0.77 0.19 114.58 120.46 2ctl h GLU 45 Ca 0.12 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2ctl h GLU 45 Cb 0.16 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2ctl h GLU 45 CO -0.01 0.22 -0.07 0.72 -1.18 0.00 0.00 179.01 178.68 2ctl n HIS 46 N -4.64 0.00 -3.71 0.92 8.25 -0.98 -5.01 115.22 110.05 2ctl n HIS 46 Ca 0.27 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.47 2ctl n HIS 46 Cb 0.97 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.11 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 0.31 -3.17 -4.07 0.41 9.92 0.58 -4.81 116.55 115.73 2ctl n ASP 47 Ca 0.06 -0.94 -0.10 0.00 -0.53 0.00 0.00 54.79 53.27 2ctl n ASP 47 Cb 0.25 -3.65 -0.11 0.00 -0.64 0.00 0.00 41.12 36.97 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 -3.62 0.41 -0.13 2.53 -7.23 -0.13 -4.84 120.40 107.39 2ctl s VAL 48 Ca 0.24 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.88 2ctl s VAL 48 Cb -0.08 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2ctl s VAL 48 CO 0.84 -0.61 0.55 0.21 -0.31 0.00 0.00 175.10 175.78 2ctl s ASN 49 N -2.07 6.73 -0.21 4.85 2.47 -0.70 -4.62 114.94 121.38 2ctl s ASN 49 Ca -0.04 0.87 0.01 0.00 0.42 0.00 0.00 52.86 54.12 2ctl s ASN 49 Cb -0.04 -2.32 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 2ctl s ASN 49 CO -0.03 -0.08 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.55 2ctl s ILE 50 N 0.96 1.69 -0.06 -5.21 1.01 -1.26 -0.95 121.20 117.37 2ctl s ILE 50 Ca 0.28 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2ctl s ILE 50 Cb -0.16 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2ctl s ILE 50 CO 0.12 0.10 -0.23 -1.58 0.00 0.00 0.00 174.94 173.35 2ctl s GLN 51 N 1.36 2.50 0.13 2.79 -0.44 0.24 -5.02 119.66 121.21 2ctl s GLN 51 Ca -0.03 -0.84 -0.02 0.00 -2.50 0.00 0.00 55.36 51.97 2ctl s GLN 51 Cb -0.17 -2.07 -0.05 0.00 -1.64 0.00 0.00 33.01 29.08 2ctl s GLN 51 CO -0.08 0.31 0.32 -0.06 0.50 0.00 0.00 175.29 176.29 2ctl s PHE 52 N -0.02 3.49 0.63 1.67 0.40 -1.26 -1.39 117.98 121.49 2ctl s PHE 52 Ca -0.07 0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 56.49 2ctl s PHE 52 Cb -0.14 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 2ctl s PHE 52 CO 0.04 0.48 1.12 -1.25 0.70 0.00 0.00 175.22 176.31 2ctl s PRO 53 N -2.79 2.95 -0.46 0.24 0.04 -1.26 -4.95 135.00 128.78 2ctl s PRO 53 Ca 0.38 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 2ctl s PRO 53 Cb -0.12 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2ctl s PRO 53 CO 0.27 -1.14 1.41 0.34 0.04 0.00 0.00 177.00 177.92 2ctl s ASP 54 N -2.35 6.26 0.37 6.66 2.15 -1.26 -4.88 116.67 123.63 2ctl s ASP 54 Ca 0.69 0.64 0.04 0.00 0.43 0.00 0.00 52.55 54.35 2ctl s ASP 54 Cb -0.22 -2.54 0.71 0.00 -0.30 0.00 0.00 42.92 40.57 2ctl s ASP 54 CO 0.37 -1.53 2.00 0.07 -0.17 0.00 0.00 175.17 175.92 2ctl h LYS 55 N 10.85 0.68 0.00 4.34 5.09 -1.93 -1.34 116.57 134.26 2ctl h LYS 55 Ca -0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 60.65 60.39 2ctl h LYS 55 Cb 1.10 -0.14 -0.00 0.00 0.10 0.00 0.00 32.23 33.28 2ctl h LYS 55 CO 1.12 0.49 -0.10 0.22 -2.09 0.00 0.00 179.45 179.09 2ctl h ASP 56 N 0.69 0.00 -3.03 7.07 3.58 -2.01 -3.43 116.42 119.29 2ctl h ASP 56 Ca 0.18 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.34 2ctl h ASP 56 Cb -0.01 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.17 2ctl h ASP 56 CO -0.03 0.10 0.19 -0.67 -2.88 0.00 0.00 179.24 175.94 2ctl n ASP 57 N -4.27 -0.86 0.00 2.28 2.03 -0.50 -5.03 116.55 110.19 2ctl n ASP 57 Ca -0.03 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2ctl n ASP 57 Cb 0.17 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 2ctl n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctl n GLY 58 N -1.81 0.03 0.20 0.27 0.00 -1.26 -4.87 105.19 97.75 2ctl n GLY 58 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2ctl n GLY 58 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ctl h ASN 59 N 0.00 0.00 -2.98 1.61 2.35 -1.96 -3.44 115.58 111.17 2ctl h ASN 59 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2ctl h ASN 59 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2ctl h ASN 59 CO 0.00 0.33 -0.35 0.00 -1.65 0.00 0.00 177.43 175.76 2ctl s GLN 60 N -4.11 3.55 0.02 0.81 -2.07 -1.26 -5.06 119.66 111.53 2ctl s GLN 60 Ca -0.02 -0.26 -0.30 0.00 -1.82 0.00 0.00 55.36 52.95 2ctl s GLN 60 Cb 0.14 -2.88 -0.06 0.00 -1.09 0.00 0.00 33.01 29.12 2ctl s GLN 60 CO 0.70 0.46 1.44 -1.25 -1.32 0.00 0.00 175.29 175.32 2ctl s PRO 61 N -2.93 4.27 0.03 9.60 0.04 -1.26 -4.91 135.00 139.85 2ctl s PRO 61 Ca 0.39 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.70 2ctl s PRO 61 Cb -0.12 -3.56 0.35 0.00 0.04 0.00 0.00 34.50 31.21 2ctl s PRO 61 CO 0.27 -0.59 1.30 1.04 0.04 0.00 0.00 177.00 179.06 2ctl n GLN 62 N 5.34 0.11 0.01 4.56 1.13 -1.26 -3.84 117.38 123.44 2ctl n GLN 62 Ca 0.13 0.02 0.11 0.00 -1.94 0.00 0.00 57.00 55.32 2ctl n GLN 62 Cb 0.43 -1.55 -0.09 0.00 0.11 0.00 0.00 30.24 29.14 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 -1.70 0.44 -4.71 1.08 5.68 -1.26 -3.91 116.55 112.16 2ctl n ASP 63 Ca 0.04 -0.20 -0.39 0.00 -0.50 0.00 0.00 54.79 53.75 2ctl n ASP 63 Cb 0.37 1.32 -0.05 0.00 -1.14 0.00 0.00 41.12 41.63 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 -3.32 4.37 -0.29 0.11 -1.52 -1.25 -0.07 119.66 117.69 2ctl s GLN 64 Ca -0.01 0.70 -0.08 0.00 -1.95 0.00 0.00 55.36 54.02 2ctl s GLN 64 Cb 0.14 -3.47 -0.01 0.00 -0.22 0.00 0.00 33.01 29.45 2ctl s GLN 64 CO 0.86 0.04 0.11 0.42 -0.25 0.00 0.00 175.29 176.47 2ctl s ILE 65 N 0.95 4.41 0.10 1.08 1.01 0.05 -4.10 121.20 124.71 2ctl s ILE 65 Ca 0.32 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 2ctl s ILE 65 Cb -0.17 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 2ctl s ILE 65 CO 0.14 0.16 1.05 0.42 0.00 0.00 0.00 174.94 176.72 2ctl s THR 66 N 1.60 4.27 -0.04 2.92 -4.23 -0.49 -1.21 115.64 118.46 2ctl s THR 66 Ca 0.05 1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 62.35 2ctl s THR 66 Cb -0.16 -4.15 0.03 0.00 1.34 0.00 0.00 72.50 69.56 2ctl s THR 66 CO 0.05 0.24 0.09 -0.63 -0.54 0.00 0.00 174.62 173.83 2ctl s ILE 67 N 0.31 -0.05 0.20 2.99 1.01 0.22 -0.59 121.20 125.28 2ctl s ILE 67 Ca 0.51 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.44 2ctl s ILE 67 Cb -0.26 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2ctl s ILE 67 CO 0.31 0.08 -0.07 -0.89 0.00 0.00 0.00 174.94 174.37 2ctl s THR 68 N 1.10 3.29 -3.45 2.92 2.01 -0.13 -0.51 115.64 120.86 2ctl s THR 68 Ca -0.09 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.23 2ctl s THR 68 Cb -0.12 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.74 2ctl s THR 68 CO -0.04 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 2ctl n GLY 69 N -0.15 0.97 3.68 4.40 0.00 -1.14 -1.72 105.19 111.22 2ctl n GLY 69 Ca -0.10 -2.07 -0.52 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.15 2.11 -0.39 1.61 4.01 -1.25 -4.10 117.16 118.01 2ctl n TYR 70 Ca 0.00 0.32 0.35 0.00 -0.16 0.00 0.00 57.90 58.41 2ctl n TYR 70 Cb 0.00 -2.53 0.54 0.00 -0.31 0.00 0.00 39.34 37.05 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 5.21 0.01 -0.06 -0.72 2.13 -1.25 -0.20 120.64 125.75 2ctl n GLU 71 Ca 0.23 0.96 -0.02 0.00 0.66 0.00 0.00 57.16 58.99 2ctl n GLU 71 Cb 0.22 -2.32 -0.01 0.00 0.27 0.00 0.00 31.44 29.60 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 0.00 -0.91 5.31 1.79 -1.94 -3.30 116.57 117.53 2ctl h LYS 72 Ca 0.62 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 59.34 2ctl h LYS 72 Cb 3.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 33.63 2ctl h LYS 72 CO -0.01 0.00 0.64 -0.91 -1.08 0.00 0.00 179.45 178.09 2ctl h ASN 73 N -0.96 0.11 0.60 0.86 4.21 -0.98 -1.57 115.58 117.85 2ctl h ASN 73 Ca 0.00 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 2ctl h ASN 73 Cb 0.27 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.47 2ctl h ASN 73 CO 0.00 0.04 -0.29 0.71 -1.29 0.00 0.00 177.43 176.60 2ctl h THR 74 N 0.11 0.37 -0.75 2.81 1.35 -0.74 -2.98 112.91 113.08 2ctl h THR 74 Ca 0.45 -0.15 0.17 0.00 -0.55 0.00 0.00 66.41 66.32 2ctl h THR 74 Cb 1.59 0.43 -0.12 0.00 -1.73 0.00 0.00 68.15 68.32 2ctl h THR 74 CO -0.06 0.02 0.16 -0.33 -0.25 0.00 0.00 175.52 175.06 2ctl h GLU 75 N -0.91 0.23 -0.97 4.72 5.08 -1.36 0.32 114.58 121.68 2ctl h GLU 75 Ca -0.08 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.45 2ctl h GLU 75 Cb 0.65 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 2ctl h GLU 75 CO 0.14 0.15 0.61 0.00 -1.00 0.00 0.00 179.01 178.91 2ctl h ALA 76 N 1.64 1.85 0.00 3.43 0.00 -1.40 0.68 119.26 125.46 2ctl h ALA 76 Ca 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2ctl h ALA 76 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ctl h ALA 76 CO -0.55 -0.17 -0.13 0.00 0.00 0.00 0.00 179.25 178.40 2ctl h ALA 77 N 1.62 0.03 -0.35 0.00 0.00 -0.39 -3.31 119.26 116.85 2ctl h ALA 77 Ca 0.53 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2ctl h ALA 77 Cb 0.95 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ctl h ALA 77 CO -0.29 0.08 0.45 0.07 0.00 0.00 0.00 179.25 179.56 2ctl h ARG 78 N -1.00 0.00 -0.30 0.00 -0.00 -0.30 0.58 114.38 113.37 2ctl h ARG 78 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.88 2ctl h ARG 78 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.79 2ctl h ARG 78 CO -0.02 0.00 -0.08 0.22 -0.00 0.00 0.00 179.97 180.09 2ctl h ASP 79 N 0.00 0.58 0.29 0.08 3.58 -0.96 -3.21 116.42 116.78 2ctl h ASP 79 Ca 0.17 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 2ctl h ASP 79 Cb 1.07 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2ctl h ASP 79 CO -0.00 0.81 -0.20 0.00 -2.88 0.00 0.00 179.24 176.97 2ctl h ALA 80 N 0.79 -0.47 -1.23 -0.78 0.00 -0.98 -0.28 119.26 116.31 2ctl h ALA 80 Ca 0.07 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.30 2ctl h ALA 80 Cb 0.56 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 2ctl h ALA 80 CO 0.03 -0.78 0.77 0.82 0.00 0.00 0.00 179.25 180.09 2ctl h ILE 81 N -0.48 0.17 0.00 0.00 2.04 -1.56 0.05 117.51 117.73 2ctl h ILE 81 Ca -0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ctl h ILE 81 Cb 0.41 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2ctl h ILE 81 CO 0.01 0.02 -0.06 -0.07 0.00 0.00 0.00 178.15 178.05 2ctl h LEU 82 N 0.13 0.00 -1.16 1.44 3.38 -1.42 -3.21 115.31 114.47 2ctl h LEU 82 Ca 0.79 -0.61 0.38 0.00 0.09 0.00 0.00 57.88 58.53 2ctl h LEU 82 Cb 2.34 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.94 2ctl h LEU 82 CO -0.46 0.84 0.66 -0.09 0.09 0.00 0.00 178.44 179.48 2ctl h ARG 83 N -1.00 0.17 0.38 1.13 2.43 0.73 0.82 114.38 119.04 2ctl h ARG 83 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2ctl h ARG 83 Cb 0.65 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2ctl h ARG 83 CO -0.01 0.11 -0.18 0.82 -1.51 0.00 0.00 179.97 179.20 2ctl h ILE 84 N 0.17 0.55 -0.81 1.20 2.04 -1.28 -3.30 117.51 116.08 2ctl h ILE 84 Ca 0.78 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 66.16 2ctl h ILE 84 Cb 2.10 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 38.86 2ctl h ILE 84 CO -0.56 0.09 -0.48 0.58 0.00 0.00 0.00 178.15 177.77 2ctl h VAL 85 N -0.86 0.00 -0.83 1.67 2.07 -0.84 0.12 116.25 117.57 2ctl h VAL 85 Ca -0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.63 2ctl h VAL 85 Cb 0.54 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.15 2ctl h VAL 85 CO 0.09 0.00 -0.22 0.61 0.02 0.00 0.00 177.57 178.07 2ctl n GLY 86 N -1.21 -1.43 0.09 2.17 0.00 -1.04 0.57 105.19 104.35 2ctl n GLY 86 Ca 0.02 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.82 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 0.19 -1.02 1.61 5.08 -0.87 -2.74 114.58 116.83 2ctl h GLU 87 Ca 0.39 -0.03 0.31 0.00 -1.00 0.00 0.00 59.36 59.03 2ctl h GLU 87 Cb 0.60 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.68 2ctl h GLU 87 CO -0.86 0.27 0.60 -0.07 -1.00 0.00 0.00 179.01 177.95 2ctl h LEU 88 N 0.07 0.53 0.75 1.33 3.38 0.97 -0.54 115.31 121.81 2ctl h LEU 88 Ca 0.05 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2ctl h LEU 88 Cb 0.14 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2ctl h LEU 88 CO -0.00 -0.08 -0.36 -0.33 0.09 0.00 0.00 178.44 177.75 2ctl h GLU 89 N 0.37 -0.97 -0.93 1.13 5.08 -1.07 -2.59 114.58 115.59 2ctl h GLU 89 Ca 0.71 0.07 0.34 0.00 -1.00 0.00 0.00 59.36 59.48 2ctl h GLU 89 Cb 1.63 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 30.93 2ctl h GLU 89 CO -0.55 -0.64 0.33 0.94 -1.00 0.00 0.00 179.01 178.09 2ctl n GLN 90 N -5.51 -0.06 0.17 2.33 0.00 -0.23 -1.00 117.38 113.09 2ctl n GLN 90 Ca -0.14 1.32 -0.07 0.00 -0.00 0.00 0.00 57.00 58.11 2ctl n GLN 90 Cb 0.41 -2.27 -0.03 0.00 0.00 0.00 0.00 30.24 28.34 2ctl n GLN 90 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 2ctl h MET 91 N 0.00 -0.44 -7.28 3.69 2.86 -1.34 -3.45 114.93 108.97 2ctl h MET 91 Ca 0.71 0.03 -0.52 0.00 -2.06 0.00 0.00 59.70 57.86 2ctl h MET 91 Cb 1.77 0.10 0.16 0.00 0.06 0.00 0.00 31.60 33.68 2ctl h MET 91 CO -0.77 -0.30 0.29 -1.12 1.06 0.00 0.00 176.91 176.07 2ctl s SER 92 N -3.34 3.93 -0.40 1.22 0.01 -0.17 -5.03 113.70 109.92 2ctl s SER 92 Ca -0.07 2.02 -0.02 0.00 1.31 0.00 0.00 55.95 59.19 2ctl s SER 92 Cb 0.01 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.90 2ctl s SER 92 CO 0.20 -2.43 0.97 -0.83 0.41 0.00 0.00 173.24 171.57 2ctl s GLY 93 N -2.96 -1.69 0.21 3.44 0.00 -1.26 -4.83 107.32 100.23 2ctl s GLY 93 Ca 0.65 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 2ctl s GLY 93 CO 0.55 4.10 1.29 2.56 0.00 0.00 0.00 173.10 181.60 2ctl s PRO 94 N 1.01 4.40 -0.54 2.90 0.04 -1.26 -4.99 135.00 136.56 2ctl s PRO 94 Ca 0.25 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 2ctl s PRO 94 Cb 0.08 -3.18 0.11 0.00 0.04 0.00 0.00 34.50 31.54 2ctl s PRO 94 CO -0.09 -0.22 0.53 0.45 0.04 0.00 0.00 177.00 177.71 2ctl s SER 95 N 0.20 6.18 -1.44 6.66 0.15 -1.26 -4.45 113.70 119.74 2ctl s SER 95 Ca 0.55 -1.57 -0.10 0.00 0.70 0.00 0.00 55.95 55.53 2ctl s SER 95 Cb -0.36 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2ctl s SER 95 CO 0.40 -0.88 1.01 -0.24 1.20 0.00 0.00 173.24 174.73 2ctl n SER 96 N 5.53 -4.71 0.00 5.45 2.88 -1.26 -5.39 113.62 116.12 2ctl n SER 96 Ca -0.12 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 2ctl n SER 96 Cb 0.42 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.58 2ctl n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42