#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 -1.40 -3.68 1.61 7.64 -1.26 -4.96 113.62 111.57 2ctl n SER 2 Ca 0.00 -0.95 -0.09 0.00 1.01 0.00 0.00 58.87 58.84 2ctl n SER 2 Cb 0.00 -3.27 -0.09 0.00 -1.01 0.00 0.00 64.21 59.84 2ctl n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctl s SER 3 N -4.09 -0.66 0.00 6.43 1.04 -1.26 -5.16 113.70 110.00 2ctl s SER 3 Ca 0.19 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2ctl s SER 3 Cb -0.10 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2ctl s SER 3 CO 0.88 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.50 2ctl n GLY 4 N 4.30 -0.28 2.71 7.32 0.00 -1.26 -5.13 105.19 112.85 2ctl n GLY 4 Ca -0.22 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 1.29 -0.11 1.61 0.01 -1.26 -5.12 113.70 110.12 2ctl s SER 5 Ca 0.00 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 2ctl s SER 5 Cb 0.00 -0.25 0.05 0.00 0.21 0.00 0.00 66.02 66.03 2ctl s SER 5 CO 0.00 -0.23 0.08 -0.44 0.41 0.00 0.00 173.24 173.06 2ctl s SER 6 N 2.09 1.77 0.00 2.44 0.01 -1.26 -5.06 113.70 113.69 2ctl s SER 6 Ca 0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2ctl s SER 6 Cb -0.12 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2ctl s SER 6 CO -0.04 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2ctl n GLY 7 N 5.29 -1.42 2.77 3.44 0.00 -1.26 -5.10 105.19 108.91 2ctl n GLY 7 Ca -0.05 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.71 0.23 0.77 1.61 0.41 -1.26 -5.15 118.70 112.61 2ctl s GLU 8 Ca 0.00 0.17 -0.12 0.00 -0.41 0.00 0.00 54.97 54.61 2ctl s GLU 8 Cb 0.00 -0.57 0.06 0.00 -1.78 0.00 0.00 34.13 31.84 2ctl s GLU 8 CO 0.00 -0.22 1.15 1.14 -0.49 0.00 0.00 175.26 176.84 2ctl s GLN 9 N 1.51 2.26 -0.45 1.61 -2.07 -1.26 -5.01 119.66 116.25 2ctl s GLN 9 Ca -0.03 0.22 0.04 0.00 -1.82 0.00 0.00 55.36 53.78 2ctl s GLN 9 Cb -0.13 -1.98 0.43 0.00 -1.09 0.00 0.00 33.01 30.24 2ctl s GLN 9 CO -0.03 -1.41 1.32 -0.85 -1.32 0.00 0.00 175.29 173.00 2ctl n GLU 10 N -3.21 3.36 -0.21 9.60 0.00 -1.26 -4.84 120.64 124.08 2ctl n GLU 10 Ca 0.08 -4.18 0.01 0.00 0.00 0.00 0.00 57.16 53.07 2ctl n GLU 10 Cb 0.60 -2.27 0.11 0.00 0.00 0.00 0.00 31.44 29.88 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 2.44 -0.30 -0.88 -1.84 3.04 -1.99 0.11 116.42 117.01 2ctl h ASP 11 Ca 0.38 0.16 0.20 0.00 -3.24 0.00 0.00 57.03 54.53 2ctl h ASP 11 Cb 1.03 0.28 -0.12 0.00 -1.04 0.00 0.00 39.33 39.49 2ctl h ASP 11 CO 0.95 -0.13 0.40 0.08 -2.04 0.00 0.00 179.24 178.50 2ctl h ARG 12 N 0.11 0.45 -0.10 4.15 0.11 -2.00 0.05 114.38 117.15 2ctl h ARG 12 Ca 0.33 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 60.17 2ctl h ARG 12 Cb 0.54 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.54 2ctl h ARG 12 CO -0.55 0.29 -0.78 0.00 0.10 0.00 0.00 179.97 179.03 2ctl h ALA 13 N 1.66 0.22 -0.05 0.08 0.00 -1.29 -3.19 119.26 116.70 2ctl h ALA 13 Ca 0.53 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ctl h ALA 13 Cb 0.94 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2ctl h ALA 13 CO -0.48 0.60 -0.18 -0.07 0.00 0.00 0.00 179.25 179.12 2ctl h LEU 14 N 0.38 -0.54 -2.37 0.00 3.38 0.77 0.52 115.31 117.46 2ctl h LEU 14 Ca -0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ctl h LEU 14 Cb 1.43 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2ctl h LEU 14 CO 0.16 -0.24 0.02 0.08 0.09 0.00 0.00 178.44 178.55 2ctl h ARG 15 N -0.27 0.00 -0.77 1.13 0.11 -1.15 0.55 114.38 113.98 2ctl h ARG 15 Ca 0.07 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.94 2ctl h ARG 15 Cb 0.37 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.32 2ctl h ARG 15 CO -0.20 0.00 0.27 0.45 0.10 0.00 0.00 179.97 180.59 2ctl n SER 16 N -2.76 4.81 -4.64 0.08 2.88 0.16 -3.98 113.62 110.17 2ctl n SER 16 Ca -0.02 -3.18 -0.43 0.00 -1.33 0.00 0.00 58.87 53.91 2ctl n SER 16 Cb 0.07 -0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 62.76 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 -2.91 3.19 -0.24 0.66 2.19 0.19 -4.98 117.98 116.08 2ctl s PHE 17 Ca 0.54 1.19 -0.08 0.00 0.33 0.00 0.00 56.93 58.90 2ctl s PHE 17 Cb 0.43 -3.55 -0.04 0.00 -1.31 0.00 0.00 43.02 38.55 2ctl s PHE 17 CO 0.13 -0.69 0.09 0.21 1.83 0.00 0.00 175.22 176.80 2ctl s LYS 18 N 3.47 3.79 0.12 10.12 2.20 -1.26 -3.02 119.74 135.16 2ctl s LYS 18 Ca 0.43 -0.41 0.09 0.00 -0.36 0.00 0.00 55.97 55.71 2ctl s LYS 18 Cb -0.13 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2ctl s LYS 18 CO 0.13 -0.08 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.72 2ctl s LEU 19 N 1.35 2.81 -0.17 5.43 2.96 -0.22 -4.99 118.68 125.84 2ctl s LEU 19 Ca 0.06 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2ctl s LEU 19 Cb -0.15 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.96 2ctl s LEU 19 CO 0.05 0.17 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.23 2ctl s SER 20 N -2.23 3.00 -0.06 3.68 1.04 -1.25 -1.71 113.70 116.16 2ctl s SER 20 Ca 0.19 -0.72 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 2ctl s SER 20 Cb -0.10 -1.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 2ctl s SER 20 CO 0.11 -0.16 0.65 -0.69 0.98 0.00 0.00 173.24 174.13 2ctl s VAL 21 N 1.54 5.03 -0.61 5.02 1.01 -0.72 -4.80 120.40 126.88 2ctl s VAL 21 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 2ctl s VAL 21 Cb -0.15 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.31 2ctl s VAL 21 CO -0.08 0.30 0.86 -0.89 0.00 0.00 0.00 175.10 175.28 2ctl s THR 22 N 0.56 4.52 -0.18 3.92 2.01 -1.26 -1.32 115.64 123.89 2ctl s THR 22 Ca 0.34 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 2ctl s THR 22 Cb -0.17 -4.57 0.07 0.00 0.01 0.00 0.00 72.50 67.84 2ctl s THR 22 CO 0.17 -1.25 0.40 -0.69 -0.69 0.00 0.00 174.62 172.55 2ctl s VAL 23 N 3.54 -0.32 0.34 3.82 1.01 0.61 -5.04 120.40 124.37 2ctl s VAL 23 Ca 0.20 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 2ctl s VAL 23 Cb -0.18 -0.61 -0.16 0.00 0.00 0.00 0.00 36.38 35.42 2ctl s VAL 23 CO 0.11 0.06 0.30 0.47 0.00 0.00 0.00 175.10 176.04 2ctl n ASP 24 N 4.82 -2.01 0.00 3.32 9.92 -1.26 -4.22 116.55 127.12 2ctl n ASP 24 Ca -0.16 0.93 0.06 0.00 -0.53 0.00 0.00 54.79 55.10 2ctl n ASP 24 Cb 0.52 -0.94 0.36 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 1.12 0.49 0.11 -0.24 -0.04 -1.24 -2.81 135.00 132.39 2ctl n PRO 25 Ca 0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 2ctl n PRO 25 Cb 0.35 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.56 0.00 0.54 2.10 -1.89 -3.29 116.57 114.59 2ctl h LYS 26 Ca 0.00 -0.82 0.00 0.00 -2.00 0.00 0.00 60.65 57.83 2ctl h LYS 26 Cb 0.00 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2ctl h LYS 26 CO 0.00 1.38 -0.59 1.88 -2.00 0.00 0.00 179.45 180.11 2ctl h TYR 27 N 0.21 0.00 -0.50 0.07 0.05 -1.87 -3.38 116.97 111.55 2ctl h TYR 27 Ca -0.20 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.63 2ctl h TYR 27 Cb 2.00 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.65 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 -1.62 0.54 115.15 121.08 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 0.87 0.82 0.00 0.00 1.06 0.00 0.00 27.41 30.16 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 -5.32 0.02 0.08 2.45 -0.04 -1.26 -2.14 135.00 128.79 2ctl n PRO 29 Ca -0.03 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 2ctl n PRO 29 Cb 0.32 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.48 0.62 0.02 0.54 4.76 0.16 -4.12 118.16 118.65 2ctl n LYS 30 Ca 0.04 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 2ctl n LYS 30 Cb 0.16 -1.78 -0.14 0.00 -1.84 0.00 0.00 35.03 31.43 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 1.02 -0.24 -0.18 2.04 -0.13 -3.37 117.51 116.66 2ctl h ILE 31 Ca -0.03 -2.79 0.06 0.00 1.00 0.00 0.00 64.86 63.10 2ctl h ILE 31 Cb 1.10 2.58 -0.07 0.00 -0.74 0.00 0.00 36.82 39.69 2ctl h ILE 31 CO 0.01 0.70 -0.22 0.40 0.00 0.00 0.00 178.15 179.03 2ctl h ILE 32 N 0.03 0.43 0.00 -0.67 2.04 -1.68 -3.32 117.51 114.34 2ctl h ILE 32 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2ctl h ILE 32 Cb 1.98 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2ctl h ILE 32 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.87 2ctl n GLY 33 N -1.36 2.78 0.39 5.37 0.00 -1.26 -2.35 105.19 108.77 2ctl n GLY 33 Ca -0.01 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.44 0.00 1.61 2.47 -1.92 -3.21 114.38 112.88 2ctl h ARG 34 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2ctl h ARG 34 Cb 0.00 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2ctl h ARG 34 CO 0.00 -0.29 -1.50 1.63 0.56 0.00 0.00 179.97 180.36 2ctl n LYS 35 N -5.43 0.70 0.00 0.04 5.02 -1.26 -5.00 118.16 112.23 2ctl n LYS 35 Ca -0.03 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2ctl n LYS 35 Cb 0.36 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.66 1.95 0.14 0.72 0.00 -1.22 -5.04 105.19 103.40 2ctl n GLY 36 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.36 0.99 -0.10 4.61 0.00 -1.25 -4.07 120.51 120.33 2ctl n ALA 37 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.67 2ctl n ALA 37 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.01 0.00 -0.58 0.00 2.07 -1.86 -1.23 116.25 114.64 2ctl h VAL 38 Ca -0.46 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.18 2ctl h VAL 38 Cb 1.97 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 2ctl h VAL 38 CO 0.03 0.00 -0.12 -0.29 0.02 0.00 0.00 177.57 177.22 2ctl h ILE 39 N -0.21 0.44 -0.41 4.57 6.09 -1.57 -2.19 117.51 124.22 2ctl h ILE 39 Ca 0.05 -0.01 0.05 0.00 -1.37 0.00 0.00 64.86 63.58 2ctl h ILE 39 Cb 0.34 0.42 -0.08 0.00 0.47 0.00 0.00 36.82 37.97 2ctl h ILE 39 CO -0.37 0.00 -0.54 0.74 -3.07 0.00 0.00 178.15 174.91 2ctl h THR 40 N 0.02 0.00 -0.91 2.19 2.02 -1.41 0.11 112.91 114.93 2ctl h THR 40 Ca 0.28 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.72 2ctl h THR 40 Cb 0.44 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.70 2ctl h THR 40 CO -0.58 0.00 0.31 -0.61 0.37 0.00 0.00 175.52 175.01 2ctl h GLN 41 N -0.38 0.22 -0.52 6.66 5.75 -0.68 0.39 115.11 126.55 2ctl h GLN 41 Ca 0.07 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2ctl h GLN 41 Cb 0.57 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2ctl h GLN 41 CO -0.59 0.14 0.12 0.82 -2.65 0.00 0.00 178.83 176.67 2ctl h ILE 42 N 0.22 1.24 0.32 2.39 2.04 -0.67 -0.57 117.51 122.49 2ctl h ILE 42 Ca 0.60 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2ctl h ILE 42 Cb 1.27 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2ctl h ILE 42 CO -0.66 0.32 -0.16 0.03 0.00 0.00 0.00 178.15 177.68 2ctl h ARG 43 N 0.72 -0.42 -0.07 2.37 3.08 0.15 -2.82 114.38 117.40 2ctl h ARG 43 Ca 0.16 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.25 2ctl h ARG 43 Cb 0.34 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2ctl h ARG 43 CO 0.00 -0.24 0.01 -0.07 -1.07 0.00 0.00 179.97 178.60 2ctl h LEU 44 N -0.49 0.00 -0.84 3.04 3.38 -1.02 1.01 115.31 120.39 2ctl h LEU 44 Ca -0.04 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2ctl h LEU 44 Cb 0.37 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 2ctl h LEU 44 CO 0.07 0.01 -0.34 -0.08 0.09 0.00 0.00 178.44 178.20 2ctl h GLU 45 N 0.04 -0.05 -0.29 1.13 4.81 -1.04 0.66 114.58 119.84 2ctl h GLU 45 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2ctl h GLU 45 Cb 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2ctl h GLU 45 CO -0.04 -0.04 0.00 0.72 -0.73 0.00 0.00 179.01 178.92 2ctl n HIS 46 N -5.48 0.37 -3.89 0.92 8.25 -1.07 -4.96 115.22 109.37 2ctl n HIS 46 Ca 0.09 -0.19 -0.27 0.00 -0.26 0.00 0.00 57.72 57.09 2ctl n HIS 46 Cb 0.39 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 0.98 -1.41 -4.12 0.41 8.00 0.32 -4.79 116.55 115.94 2ctl n ASP 47 Ca 0.18 -1.01 -0.25 0.00 0.71 0.00 0.00 54.79 54.42 2ctl n ASP 47 Cb 0.48 -3.12 -0.08 0.00 -0.02 0.00 0.00 41.12 38.38 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 -3.84 0.61 -0.23 2.53 -7.23 0.75 -4.87 120.40 108.12 2ctl s VAL 48 Ca 0.11 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2ctl s VAL 48 Cb -0.04 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2ctl s VAL 48 CO 0.88 0.00 -0.09 0.21 -0.31 0.00 0.00 175.10 175.79 2ctl s ASN 49 N -3.59 4.09 -0.27 4.85 3.84 -0.96 -4.53 114.94 118.37 2ctl s ASN 49 Ca 0.25 -0.85 -0.02 0.00 0.21 0.00 0.00 52.86 52.44 2ctl s ASN 49 Cb 0.03 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 39.14 2ctl s ASN 49 CO 0.15 -0.10 -0.03 -0.63 -2.79 0.00 0.00 177.10 173.70 2ctl s ILE 50 N 1.30 3.05 0.16 -5.21 1.01 -1.26 -1.62 121.20 118.64 2ctl s ILE 50 Ca 0.01 -1.05 0.09 0.00 0.00 0.00 0.00 60.65 59.70 2ctl s ILE 50 Cb -0.16 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2ctl s ILE 50 CO -0.06 0.12 -0.16 -1.58 0.00 0.00 0.00 174.94 173.26 2ctl s GLN 51 N 1.33 1.84 0.08 2.79 2.00 -0.03 -5.02 119.66 122.65 2ctl s GLN 51 Ca -0.01 -1.30 0.08 0.00 -2.00 0.00 0.00 55.36 52.14 2ctl s GLN 51 Cb -0.17 -2.07 -0.04 0.00 0.80 0.00 0.00 33.01 31.53 2ctl s GLN 51 CO -0.03 0.44 -0.20 -0.06 -0.50 0.00 0.00 175.29 174.94 2ctl s PHE 52 N -1.52 2.49 0.92 1.67 0.08 -1.26 -1.98 117.98 118.38 2ctl s PHE 52 Ca 0.22 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 2ctl s PHE 52 Cb -0.09 -1.39 0.14 0.00 -0.57 0.00 0.00 43.02 41.11 2ctl s PHE 52 CO 0.12 0.29 1.09 -1.25 -0.10 0.00 0.00 175.22 175.37 2ctl s PRO 53 N -1.70 1.08 -0.19 0.24 0.04 -1.26 -5.00 135.00 128.20 2ctl s PRO 53 Ca 0.15 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 2ctl s PRO 53 Cb -0.10 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2ctl s PRO 53 CO 0.06 -2.35 -0.15 0.34 0.04 0.00 0.00 177.00 174.95 2ctl s ASP 54 N -3.43 3.51 0.36 6.66 2.15 -1.26 -4.99 116.67 119.67 2ctl s ASP 54 Ca 0.64 -0.57 0.11 0.00 0.43 0.00 0.00 52.55 53.16 2ctl s ASP 54 Cb -0.18 -1.56 0.89 0.00 -0.30 0.00 0.00 42.92 41.77 2ctl s ASP 54 CO 0.57 -0.01 1.84 0.07 -0.17 0.00 0.00 175.17 177.48 2ctl h LYS 55 N 8.00 0.60 -0.70 4.34 2.10 -1.95 -0.38 116.57 128.57 2ctl h LYS 55 Ca -0.45 -0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.25 2ctl h LYS 55 Cb 1.15 -0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 32.28 2ctl h LYS 55 CO 0.63 0.39 0.36 0.22 -2.00 0.00 0.00 179.45 179.06 2ctl h ASP 56 N 0.61 0.50 0.28 7.07 1.82 -1.99 -2.98 116.42 121.74 2ctl h ASP 56 Ca 0.49 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.17 2ctl h ASP 56 Cb 0.92 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 2ctl h ASP 56 CO -0.24 0.30 -0.29 -0.78 -1.61 0.00 0.00 179.24 176.63 2ctl h ASP 57 N 0.64 -0.80 0.00 2.28 1.82 -1.45 -3.46 116.42 115.45 2ctl h ASP 57 Ca 0.33 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 2ctl h ASP 57 Cb 0.30 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.58 2ctl h ASP 57 CO -0.24 -0.38 0.00 0.61 -1.61 0.00 0.00 179.24 177.63 2ctl n GLY 58 N -1.32 2.05 0.50 -0.78 0.00 -1.13 -4.68 105.19 99.84 2ctl n GLY 58 Ca -0.07 -0.40 0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 4.17 0.11 -4.87 1.61 5.03 -1.26 -4.26 115.26 115.79 2ctl n ASN 59 Ca 0.00 1.09 -0.31 0.00 0.87 0.00 0.00 54.58 56.23 2ctl n ASN 59 Cb 0.00 -0.54 -0.05 0.00 -1.02 0.00 0.00 39.78 38.17 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 -4.89 3.84 0.21 3.52 -0.21 -1.26 -5.05 119.66 115.82 2ctl s GLN 60 Ca -0.06 0.40 -0.30 0.00 0.02 0.00 0.00 55.36 55.42 2ctl s GLN 60 Cb 0.26 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.65 2ctl s GLN 60 CO 0.75 0.19 1.29 -1.25 -2.12 0.00 0.00 175.29 174.15 2ctl s PRO 61 N -3.14 4.40 0.07 2.91 0.04 -1.26 -4.91 135.00 133.11 2ctl s PRO 61 Ca 0.50 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.81 2ctl s PRO 61 Cb -0.11 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2ctl s PRO 61 CO 0.23 -0.22 0.92 1.04 0.04 0.00 0.00 177.00 179.01 2ctl n GLN 62 N 2.42 0.43 0.00 4.56 1.13 -1.26 -4.01 117.38 120.66 2ctl n GLN 62 Ca 0.05 -0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.21 2ctl n GLN 62 Cb 0.43 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.19 0.79 -4.70 1.08 5.68 -1.26 -3.70 116.55 112.24 2ctl n ASP 63 Ca 0.00 -0.69 -0.37 0.00 -0.50 0.00 0.00 54.79 53.24 2ctl n ASP 63 Cb 0.49 0.89 -0.07 0.00 -1.14 0.00 0.00 41.12 41.29 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 -3.06 4.22 -0.20 0.11 -1.52 -1.25 -0.28 119.66 117.68 2ctl s GLN 64 Ca 0.07 0.10 -0.07 0.00 -1.95 0.00 0.00 55.36 53.51 2ctl s GLN 64 Cb 0.16 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 2ctl s GLN 64 CO 0.83 0.14 0.06 0.42 -0.25 0.00 0.00 175.29 176.49 2ctl s ILE 65 N 0.77 4.60 -0.03 1.08 1.01 -0.44 -4.37 121.20 123.82 2ctl s ILE 65 Ca 0.17 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 2ctl s ILE 65 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2ctl s ILE 65 CO 0.05 0.43 0.90 0.42 0.00 0.00 0.00 174.94 176.74 2ctl s THR 66 N 0.70 4.91 -0.08 2.92 -4.23 -0.84 -1.75 115.64 117.27 2ctl s THR 66 Ca 0.03 1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 62.39 2ctl s THR 66 Cb -0.13 -4.24 0.04 0.00 1.34 0.00 0.00 72.50 69.51 2ctl s THR 66 CO 0.02 0.16 0.09 -0.63 -0.54 0.00 0.00 174.62 173.73 2ctl s ILE 67 N 1.10 -0.15 0.13 2.99 1.01 -0.70 -0.85 121.20 124.74 2ctl s ILE 67 Ca 0.47 0.28 0.06 0.00 0.00 0.00 0.00 60.65 61.46 2ctl s ILE 67 Cb -0.20 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2ctl s ILE 67 CO 0.24 0.07 -0.01 -0.89 0.00 0.00 0.00 174.94 174.34 2ctl s THR 68 N 2.20 3.81 -4.69 2.92 2.01 -0.64 -1.06 115.64 120.18 2ctl s THR 68 Ca 0.04 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2ctl s THR 68 Cb -0.13 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2ctl s THR 68 CO -0.05 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2ctl n GLY 69 N 0.27 0.97 3.67 4.40 0.00 -1.17 -2.26 105.19 111.06 2ctl n GLY 69 Ca -0.11 -1.94 -0.46 0.00 0.00 0.00 0.00 46.02 43.51 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 6.20 2.36 -0.62 1.61 4.01 -1.26 -3.98 117.16 125.47 2ctl n TYR 70 Ca 0.00 -0.13 0.47 0.00 -0.16 0.00 0.00 57.90 58.08 2ctl n TYR 70 Cb 0.00 -2.71 0.72 0.00 -0.31 0.00 0.00 39.34 37.04 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 7.05 -0.00 0.06 -0.72 2.13 -1.26 0.20 120.64 128.10 2ctl n GLU 71 Ca 0.22 0.94 -0.04 0.00 0.66 0.00 0.00 57.16 58.95 2ctl n GLU 71 Cb 0.33 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 29.84 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 -0.24 0.26 5.31 1.79 -1.95 -3.21 116.57 118.53 2ctl h LYS 72 Ca 0.82 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 59.32 2ctl h LYS 72 Cb 3.31 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 33.98 2ctl h LYS 72 CO -0.01 -0.16 -0.35 -0.91 -1.08 0.00 0.00 179.45 176.94 2ctl h ASN 73 N -1.06 -0.99 -0.97 0.86 2.35 -0.58 -2.18 115.58 113.01 2ctl h ASN 73 Ca -0.03 0.10 0.27 0.00 -0.55 0.00 0.00 56.30 56.09 2ctl h ASN 73 Cb 0.19 0.35 -0.18 0.00 0.05 0.00 0.00 38.32 38.73 2ctl h ASN 73 CO 0.04 -0.47 0.04 0.71 -1.65 0.00 0.00 177.43 176.10 2ctl h THR 74 N -0.68 0.05 -0.38 2.81 1.35 -1.11 1.40 112.91 116.35 2ctl h THR 74 Ca -0.00 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.78 2ctl h THR 74 Cb 0.64 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 2ctl h THR 74 CO -0.12 0.00 -0.06 -0.33 -0.25 0.00 0.00 175.52 174.77 2ctl h GLU 75 N 0.02 0.63 -0.15 4.72 4.39 -1.43 0.29 114.58 123.05 2ctl h GLU 75 Ca 0.59 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 60.00 2ctl h GLU 75 Cb 1.22 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2ctl h GLU 75 CO -0.90 0.69 -0.43 0.00 -1.16 0.00 0.00 179.01 177.21 2ctl h ALA 76 N 1.36 0.99 0.13 3.43 0.00 0.24 -2.45 119.26 122.95 2ctl h ALA 76 Ca 0.11 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 2ctl h ALA 76 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ctl h ALA 76 CO 0.02 0.62 -1.48 0.00 0.00 0.00 0.00 179.25 178.41 2ctl h ALA 77 N 1.25 0.20 0.00 0.00 0.00 -0.46 -3.30 119.26 116.95 2ctl h ALA 77 Ca 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 2ctl h ALA 77 Cb 0.88 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ctl h ALA 77 CO 0.07 1.07 -0.16 0.07 0.00 0.00 0.00 179.25 180.30 2ctl h ARG 78 N 0.08 0.00 -0.40 0.00 -0.00 -0.40 -2.48 114.38 111.18 2ctl h ARG 78 Ca -0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.71 2ctl h ARG 78 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.97 2ctl h ARG 78 CO 0.18 0.16 0.08 0.22 -0.00 0.00 0.00 179.97 180.62 2ctl h ASP 79 N 0.00 0.55 0.91 0.08 3.58 -1.51 -3.12 116.42 116.91 2ctl h ASP 79 Ca -0.00 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2ctl h ASP 79 Cb 0.42 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.34 2ctl h ASP 79 CO 0.02 0.56 -0.44 0.00 -2.88 0.00 0.00 179.24 176.51 2ctl h ALA 80 N 1.51 -1.23 -0.92 -0.78 0.00 -1.60 -0.53 119.26 115.73 2ctl h ALA 80 Ca 0.13 -0.27 0.37 0.00 0.00 0.00 0.00 54.91 55.14 2ctl h ALA 80 Cb 0.24 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 2ctl h ALA 80 CO -0.00 -1.19 0.52 -0.89 0.00 0.00 0.00 179.25 177.69 2ctl n ILE 81 N -5.62 -0.33 -0.07 0.00 5.41 -1.18 0.50 119.36 118.08 2ctl n ILE 81 Ca -0.16 1.69 -0.14 0.00 1.00 0.00 0.00 62.75 65.14 2ctl n ILE 81 Cb 0.49 -2.75 -0.13 0.00 -0.71 0.00 0.00 39.64 36.54 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 -1.75 1.39 3.38 -1.55 -3.02 115.31 113.76 2ctl h LEU 82 Ca 0.73 -0.98 0.44 0.00 0.09 0.00 0.00 57.88 58.16 2ctl h LEU 82 Cb 2.01 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.68 2ctl h LEU 82 CO -0.60 0.98 1.03 -0.09 0.09 0.00 0.00 178.44 179.85 2ctl h ARG 83 N -0.98 0.06 0.00 1.13 2.43 0.17 -1.09 114.38 116.11 2ctl h ARG 83 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ctl h ARG 83 Cb 0.98 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2ctl h ARG 83 CO 0.00 0.04 -0.01 0.82 -1.51 0.00 0.00 179.97 179.31 2ctl h ILE 84 N 0.06 0.00 -1.16 1.20 2.04 -1.36 -3.33 117.51 114.96 2ctl h ILE 84 Ca 0.78 -0.89 0.41 0.00 1.00 0.00 0.00 64.86 66.15 2ctl h ILE 84 Cb 2.81 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 38.77 2ctl h ILE 84 CO -0.17 0.00 0.74 0.52 0.00 0.00 0.00 178.15 179.24 2ctl n VAL 85 N -4.48 -0.23 -0.21 1.67 0.31 -0.48 0.19 118.33 115.10 2ctl n VAL 85 Ca -0.00 1.57 -0.08 0.00 -0.01 0.00 0.00 64.34 65.82 2ctl n VAL 85 Cb 0.01 -2.57 0.03 0.00 -0.91 0.00 0.00 33.84 30.39 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 0.94 0.80 2.92 0.00 -1.48 -2.13 103.07 104.12 2ctl h GLY 86 Ca 0.76 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 2ctl h GLY 86 CO -0.42 0.49 -0.39 1.05 0.00 0.00 0.00 176.54 177.27 2ctl h GLU 87 N 0.81 0.45 -0.78 4.80 4.11 0.19 -3.18 114.58 120.98 2ctl h GLU 87 Ca 0.19 -0.34 0.13 0.00 0.07 0.00 0.00 59.36 59.41 2ctl h GLU 87 Cb 0.22 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2ctl h GLU 87 CO -0.01 0.97 0.51 -0.07 0.07 0.00 0.00 179.01 180.48 2ctl h LEU 88 N 0.02 0.51 0.22 3.06 3.38 -1.21 -1.99 115.31 119.31 2ctl h LEU 88 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ctl h LEU 88 Cb 1.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2ctl h LEU 88 CO 0.08 0.28 -0.10 -0.33 0.09 0.00 0.00 178.44 178.46 2ctl h GLU 89 N 0.55 -0.28 -0.68 1.13 5.08 -1.36 -2.87 114.58 116.15 2ctl h GLU 89 Ca 0.38 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.89 2ctl h GLU 89 Cb 0.68 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 2ctl h GLU 89 CO -0.14 -0.17 0.19 0.37 -1.00 0.00 0.00 179.01 178.26 2ctl h GLN 90 N -0.31 0.30 -6.62 2.33 5.75 -1.39 -3.42 115.11 111.74 2ctl h GLN 90 Ca -0.03 -0.02 -0.47 0.00 -0.15 0.00 0.00 58.65 57.98 2ctl h GLN 90 Cb 0.24 -0.07 0.23 0.00 1.07 0.00 0.00 27.48 28.96 2ctl h GLN 90 CO 0.05 0.20 -1.17 -1.33 -2.65 0.00 0.00 178.83 173.93 2ctl n MET 91 N -5.10 -1.31 -4.44 1.69 2.81 -1.08 -4.98 117.12 104.70 2ctl n MET 91 Ca 0.12 -0.36 -0.34 0.00 -1.81 0.00 0.00 57.70 55.31 2ctl n MET 91 Cb 0.38 -1.65 -0.13 0.00 -0.71 0.00 0.00 33.22 31.11 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 -1.78 4.55 0.00 7.83 1.04 -1.26 -4.93 113.70 119.15 2ctl s SER 92 Ca 0.54 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2ctl s SER 92 Cb -0.11 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.27 2ctl s SER 92 CO 0.66 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.64 2ctl n GLY 93 N 3.68 -1.74 3.57 7.32 0.00 -1.26 -5.16 105.19 111.60 2ctl n GLY 93 Ca -0.18 0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.84 -1.66 0.00 1.61 0.04 -1.26 -5.03 135.00 127.87 2ctl s PRO 94 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2ctl s PRO 94 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2ctl s PRO 94 CO 0.00 -3.97 0.00 0.45 0.04 0.00 0.00 177.00 173.52 2ctl n SER 95 N -4.91 3.69 -3.75 6.66 2.88 -1.26 -5.08 113.62 111.85 2ctl n SER 95 Ca 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 2ctl n SER 95 Cb 0.60 0.51 -0.09 0.00 -0.75 0.00 0.00 64.21 64.48 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 -2.08 -0.29 0.00 -3.46 0.01 -1.26 -5.32 113.70 101.31 2ctl s SER 96 Ca 0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2ctl s SER 96 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2ctl s SER 96 CO 0.00 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.96