#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 4.74 -0.71 1.61 1.04 -1.26 -5.04 113.70 114.09 2ctl s SER 2 Ca 0.00 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.00 2ctl s SER 2 Cb 0.00 -1.78 -0.07 0.00 0.10 0.00 0.00 66.02 64.26 2ctl s SER 2 CO 0.00 0.13 2.17 -0.44 0.98 0.00 0.00 173.24 176.08 2ctl s SER 3 N 0.61 4.64 -0.49 7.02 0.01 -1.26 -4.82 113.70 119.42 2ctl s SER 3 Ca -0.02 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.36 2ctl s SER 3 Cb -0.14 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.72 2ctl s SER 3 CO 0.02 -3.03 2.44 0.61 0.41 0.00 0.00 173.24 173.69 2ctl n GLY 4 N 6.40 4.56 3.25 3.44 0.00 -1.26 -4.90 105.19 116.69 2ctl n GLY 4 Ca 0.37 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.05 0.15 -0.27 1.61 0.01 -1.26 -5.17 113.70 108.73 2ctl s SER 5 Ca 0.52 -1.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.47 2ctl s SER 5 Cb 0.37 0.39 0.09 0.00 0.21 0.00 0.00 66.02 67.08 2ctl s SER 5 CO -0.17 -0.85 0.63 -0.44 0.41 0.00 0.00 173.24 172.82 2ctl s SER 6 N -3.07 -0.92 0.00 2.44 0.01 -1.26 -5.09 113.70 105.81 2ctl s SER 6 Ca 0.28 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2ctl s SER 6 Cb 0.06 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.91 2ctl s SER 6 CO 0.06 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2ctl n GLY 7 N 4.76 0.14 3.93 3.44 0.00 -1.26 -5.17 105.19 111.04 2ctl n GLY 7 Ca -0.17 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 3.52 -0.25 1.61 8.01 -1.26 -5.10 118.70 125.24 2ctl s GLU 8 Ca 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 54.97 54.64 2ctl s GLU 8 Cb 0.00 -2.78 0.13 0.00 -4.31 0.00 0.00 34.13 27.17 2ctl s GLU 8 CO 0.00 0.33 0.36 -0.65 0.01 0.00 0.00 175.26 175.30 2ctl s GLN 9 N -3.60 0.34 -0.17 1.61 -0.21 -1.26 -5.03 119.66 111.34 2ctl s GLN 9 Ca 0.39 0.37 -0.03 0.00 0.02 0.00 0.00 55.36 56.11 2ctl s GLN 9 Cb -0.11 -0.55 -0.05 0.00 1.00 0.00 0.00 33.01 33.30 2ctl s GLN 9 CO 0.30 -0.74 2.83 -1.91 -2.12 0.00 0.00 175.29 173.65 2ctl n GLU 10 N 5.35 1.88 0.08 2.91 4.07 -1.26 -4.32 120.64 129.35 2ctl n GLU 10 Ca -0.03 -1.26 -0.22 0.00 -0.06 0.00 0.00 57.16 55.59 2ctl n GLU 10 Cb 0.50 -1.78 -0.15 0.00 -0.06 0.00 0.00 31.44 29.94 2ctl n GLU 10 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2ctl h ASP 11 N 2.37 0.60 -1.01 4.31 2.03 -1.99 -2.92 116.42 119.81 2ctl h ASP 11 Ca 0.22 -0.93 0.29 0.00 -0.73 0.00 0.00 57.03 55.89 2ctl h ASP 11 Cb 1.11 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 39.38 2ctl h ASP 11 CO 0.44 1.57 0.85 0.08 -1.03 0.00 0.00 179.24 181.15 2ctl h ARG 12 N -0.15 0.00 0.05 4.15 0.11 -2.01 0.62 114.38 117.15 2ctl h ARG 12 Ca -0.22 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.55 2ctl h ARG 12 Cb 1.87 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.92 2ctl h ARG 12 CO 0.18 0.00 -1.74 0.00 0.10 0.00 0.00 179.97 178.52 2ctl n ALA 13 N -2.57 0.90 -0.18 0.08 0.00 -1.24 -3.73 120.51 113.77 2ctl n ALA 13 Ca 0.22 -0.61 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2ctl n ALA 13 Cb 1.19 -0.52 0.09 0.00 0.00 0.00 0.00 19.45 20.20 2ctl n ALA 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ctl h LEU 14 N -0.52 0.11 -1.58 0.00 3.38 -0.80 0.19 115.31 116.09 2ctl h LEU 14 Ca -0.42 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2ctl h LEU 14 Cb 1.66 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2ctl h LEU 14 CO -0.10 0.08 -0.21 0.08 0.09 0.00 0.00 178.44 178.38 2ctl h ARG 15 N 0.32 0.01 -1.33 1.13 0.11 -1.17 -2.51 114.38 110.94 2ctl h ARG 15 Ca 0.28 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.20 2ctl h ARG 15 Cb 0.36 -0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.36 2ctl h ARG 15 CO -0.32 0.21 0.21 0.45 0.10 0.00 0.00 179.97 180.62 2ctl n SER 16 N -4.29 4.45 -4.67 0.08 2.88 0.05 -3.75 113.62 108.37 2ctl n SER 16 Ca -0.02 -2.59 -0.40 0.00 -1.33 0.00 0.00 58.87 54.53 2ctl n SER 16 Cb 0.27 -0.81 -0.06 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.96 3.40 -0.17 0.66 2.19 -0.94 -5.00 117.98 117.15 2ctl s PHE 17 Ca 0.16 0.89 -0.03 0.00 0.33 0.00 0.00 56.93 58.28 2ctl s PHE 17 Cb 0.13 -2.74 -0.02 0.00 -1.31 0.00 0.00 43.02 39.09 2ctl s PHE 17 CO 0.02 -0.11 -0.06 0.21 1.83 0.00 0.00 175.22 177.11 2ctl s LYS 18 N 1.66 3.53 0.20 10.12 2.20 -1.26 -2.66 119.74 133.52 2ctl s LYS 18 Ca 0.27 -0.58 0.09 0.00 -0.36 0.00 0.00 55.97 55.39 2ctl s LYS 18 Cb -0.16 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2ctl s LYS 18 CO 0.10 0.11 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.96 2ctl s LEU 19 N 0.69 3.05 -0.14 5.43 2.96 -0.34 -4.94 118.68 125.38 2ctl s LEU 19 Ca -0.03 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2ctl s LEU 19 Cb -0.15 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.88 2ctl s LEU 19 CO 0.02 0.08 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.16 2ctl s SER 20 N -3.00 2.51 -0.22 3.68 1.04 -1.25 -1.62 113.70 114.85 2ctl s SER 20 Ca 0.26 -0.52 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 2ctl s SER 20 Cb -0.08 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 2ctl s SER 20 CO 0.16 -0.19 0.29 -0.69 0.98 0.00 0.00 173.24 173.79 2ctl s VAL 21 N 1.74 5.27 -0.60 5.02 1.01 -0.32 -4.82 120.40 127.70 2ctl s VAL 21 Ca 0.02 0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 2ctl s VAL 21 Cb -0.15 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.67 2ctl s VAL 21 CO -0.07 0.30 0.90 -0.89 0.00 0.00 0.00 175.10 175.33 2ctl s THR 22 N 1.17 4.44 -0.16 3.92 2.01 -1.26 -1.09 115.64 124.67 2ctl s THR 22 Ca 0.14 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 2ctl s THR 22 Cb -0.14 -4.58 0.06 0.00 0.01 0.00 0.00 72.50 67.85 2ctl s THR 22 CO 0.06 -1.24 0.38 -0.69 -0.69 0.00 0.00 174.62 172.44 2ctl s VAL 23 N 3.76 -0.07 0.26 3.82 1.01 0.73 -5.03 120.40 124.88 2ctl s VAL 23 Ca 0.23 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 2ctl s VAL 23 Cb -0.16 -0.57 -0.16 0.00 0.00 0.00 0.00 36.38 35.49 2ctl s VAL 23 CO 0.13 0.05 0.50 0.47 0.00 0.00 0.00 175.10 176.25 2ctl n ASP 24 N 4.35 -1.22 0.00 3.32 9.92 -1.26 -4.37 116.55 127.29 2ctl n ASP 24 Ca -0.22 1.07 0.06 0.00 -0.53 0.00 0.00 54.79 55.16 2ctl n ASP 24 Cb 0.54 -0.99 0.36 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 1.00 0.49 0.09 -0.24 -0.04 -1.25 -2.72 135.00 132.32 2ctl n PRO 25 Ca 0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2ctl n PRO 25 Cb 0.29 -1.39 -0.09 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 0.28 0.00 0.54 2.10 -1.90 -3.28 116.57 114.31 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 0.00 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2ctl h LYS 26 CO 0.00 1.13 -1.07 0.66 -2.00 0.00 0.00 179.45 178.17 2ctl n TYR 27 N -3.60 0.65 -0.18 0.07 4.01 -1.10 -4.36 117.16 112.64 2ctl n TYR 27 Ca -0.07 0.19 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 2ctl n TYR 27 Cb 0.93 -0.76 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.74 0.00 -0.72 3.86 -1.61 0.64 115.15 115.57 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 0.91 0.83 0.00 0.00 1.06 0.00 0.00 27.41 30.20 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 -5.36 0.19 -0.02 2.45 -0.04 -1.26 -2.27 135.00 128.70 2ctl n PRO 29 Ca -0.03 0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2ctl n PRO 29 Cb 0.33 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.65 0.05 0.54 4.76 0.19 -4.36 118.16 118.68 2ctl n LYS 30 Ca 0.07 0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.43 2ctl n LYS 30 Cb 0.12 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 31.47 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 1.41 -0.92 -0.18 2.04 -0.23 -3.35 117.51 116.29 2ctl h ILE 31 Ca -0.27 -2.53 0.16 0.00 1.00 0.00 0.00 64.86 63.22 2ctl h ILE 31 Cb 1.78 3.11 -0.16 0.00 -0.74 0.00 0.00 36.82 40.81 2ctl h ILE 31 CO 0.04 0.72 -0.31 0.40 0.00 0.00 0.00 178.15 179.00 2ctl h ILE 32 N -0.33 0.05 0.00 -0.67 2.04 -1.72 -3.35 117.51 113.54 2ctl h ILE 32 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2ctl h ILE 32 Cb 1.70 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2ctl h ILE 32 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.90 2ctl n GLY 33 N -1.52 3.50 0.38 5.37 0.00 -1.26 -1.87 105.19 109.79 2ctl n GLY 33 Ca 0.11 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.78 2ctl n GLY 33 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctl h ARG 34 N 0.00 0.52 0.00 1.61 0.11 -1.88 -2.78 114.38 111.96 2ctl h ARG 34 Ca 0.00 -0.03 -0.23 0.00 0.10 0.00 0.00 59.98 59.82 2ctl h ARG 34 Cb 0.00 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 30.92 2ctl h ARG 34 CO 0.00 0.34 -1.87 1.17 0.10 0.00 0.00 179.97 179.71 2ctl n LYS 35 N -4.72 1.59 0.00 0.08 4.81 -1.26 -5.02 118.16 113.63 2ctl n LYS 35 Ca 0.25 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2ctl n LYS 35 Cb 0.76 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctl n GLY 36 N 2.35 0.89 0.08 3.14 0.00 -1.05 -4.97 105.19 105.63 2ctl n GLY 36 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.60 2.05 -0.02 4.61 0.00 -1.26 -3.06 120.51 122.23 2ctl n ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ctl n ALA 37 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.05 0.00 -0.25 0.00 0.31 -1.25 -2.12 118.33 112.97 2ctl n VAL 38 Ca 0.05 0.91 0.13 0.00 -0.01 0.00 0.00 64.34 65.41 2ctl n VAL 38 Cb 0.33 -1.89 0.41 0.00 -0.91 0.00 0.00 33.84 31.77 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 0.82 -0.46 2.52 6.09 -1.50 -1.14 117.51 123.84 2ctl h ILE 39 Ca 0.00 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 2ctl h ILE 39 Cb 0.00 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 37.40 2ctl h ILE 39 CO 0.00 0.11 0.26 0.74 -3.07 0.00 0.00 178.15 176.20 2ctl h THR 40 N 0.63 1.15 0.14 2.19 2.02 -1.65 -1.91 112.91 115.48 2ctl h THR 40 Ca 0.44 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2ctl h THR 40 Cb 0.77 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2ctl h THR 40 CO -0.19 0.16 -0.15 -0.61 0.37 0.00 0.00 175.52 175.10 2ctl h GLN 41 N 0.60 -0.31 -0.17 6.66 5.75 -0.67 -2.34 115.11 124.64 2ctl h GLN 41 Ca 0.16 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 2ctl h GLN 41 Cb 0.03 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 2ctl h GLN 41 CO -0.03 -0.20 -0.16 0.82 -2.65 0.00 0.00 178.83 176.61 2ctl h ILE 42 N -0.32 0.57 -0.23 2.39 2.04 -1.36 0.09 117.51 120.69 2ctl h ILE 42 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2ctl h ILE 42 Cb 0.31 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2ctl h ILE 42 CO -0.05 0.00 -0.51 0.03 0.00 0.00 0.00 178.15 177.63 2ctl h ARG 43 N -0.18 -0.47 -0.80 2.37 3.08 -1.16 0.14 114.38 117.36 2ctl h ARG 43 Ca 0.11 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.26 2ctl h ARG 43 Cb 0.34 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2ctl h ARG 43 CO -0.28 -0.32 0.47 -0.07 -1.07 0.00 0.00 179.97 178.71 2ctl h LEU 44 N -0.49 0.71 -0.36 3.04 3.38 -1.14 0.81 115.31 121.26 2ctl h LEU 44 Ca 0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ctl h LEU 44 Cb 0.64 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2ctl h LEU 44 CO -0.49 0.44 0.02 -0.08 0.09 0.00 0.00 178.44 178.43 2ctl h GLU 45 N 0.84 0.12 -0.63 1.13 4.81 0.38 -1.03 114.58 120.20 2ctl h GLU 45 Ca 0.36 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2ctl h GLU 45 Cb 0.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ctl h GLU 45 CO -0.20 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 178.88 2ctl n HIS 46 N -5.15 1.17 -4.22 0.92 8.25 -0.10 -4.94 115.22 111.14 2ctl n HIS 46 Ca 0.02 -0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 56.66 2ctl n HIS 46 Cb 0.18 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 1.04 -0.27 -4.18 0.41 9.92 0.26 -4.67 116.55 119.05 2ctl n ASP 47 Ca 0.22 -1.25 -0.25 0.00 -0.53 0.00 0.00 54.79 52.98 2ctl n ASP 47 Cb 0.71 -1.81 -0.08 0.00 -0.64 0.00 0.00 41.12 39.30 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 -4.16 0.69 -0.15 2.53 -7.23 0.18 -4.77 120.40 107.49 2ctl s VAL 48 Ca 0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2ctl s VAL 48 Cb -0.05 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2ctl s VAL 48 CO 0.98 0.00 -0.16 0.21 -0.31 0.00 0.00 175.10 175.82 2ctl s ASN 49 N -3.59 2.79 -0.13 4.85 2.47 -0.32 -4.48 114.94 116.53 2ctl s ASN 49 Ca 0.25 -0.53 -0.02 0.00 0.42 0.00 0.00 52.86 52.99 2ctl s ASN 49 Cb 0.03 -1.26 -0.03 0.00 -1.45 0.00 0.00 41.25 38.55 2ctl s ASN 49 CO 0.14 -0.02 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.82 2ctl s ILE 50 N 1.30 3.79 -0.10 -5.21 1.01 -1.26 -0.71 121.20 120.03 2ctl s ILE 50 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2ctl s ILE 50 Cb -0.13 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.75 2ctl s ILE 50 CO -0.09 0.53 0.05 -1.58 0.00 0.00 0.00 174.94 173.85 2ctl s GLN 51 N -0.00 0.21 0.35 2.79 0.74 -0.21 -5.02 119.66 118.52 2ctl s GLN 51 Ca 0.00 0.09 -0.13 0.00 0.05 0.00 0.00 55.36 55.38 2ctl s GLN 51 Cb -0.13 -1.17 -0.08 0.00 1.10 0.00 0.00 33.01 32.72 2ctl s GLN 51 CO 0.03 -0.45 0.73 -0.06 -0.55 0.00 0.00 175.29 174.99 2ctl s PHE 52 N 2.08 3.42 0.81 1.67 0.08 -1.26 -2.27 117.98 122.50 2ctl s PHE 52 Ca 0.03 1.11 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 2ctl s PHE 52 Cb -0.14 -2.47 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 2ctl s PHE 52 CO -0.06 0.03 1.09 -1.25 -0.10 0.00 0.00 175.22 174.93 2ctl s PRO 53 N -3.33 1.98 -0.29 0.24 0.04 -1.26 -4.97 135.00 127.41 2ctl s PRO 53 Ca 0.52 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 2ctl s PRO 53 Cb -0.10 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2ctl s PRO 53 CO 0.24 -1.81 0.26 0.34 0.04 0.00 0.00 177.00 176.06 2ctl s ASP 54 N -3.40 6.10 0.40 6.66 -1.08 -1.26 -4.95 116.67 119.14 2ctl s ASP 54 Ca 0.62 0.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.89 2ctl s ASP 54 Cb -0.17 -2.15 0.64 0.00 -1.46 0.00 0.00 42.92 39.78 2ctl s ASP 54 CO 0.56 -0.12 1.71 0.07 0.52 0.00 0.00 175.17 177.91 2ctl h LYS 55 N 8.33 0.00 0.00 4.34 5.09 -1.95 -2.91 116.57 129.47 2ctl h LYS 55 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.39 2ctl h LYS 55 Cb 1.18 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.50 2ctl h LYS 55 CO 0.59 0.28 -0.07 0.22 -2.09 0.00 0.00 179.45 178.38 2ctl h ASP 56 N 0.00 0.00 0.00 7.07 3.58 -2.00 -3.34 116.42 121.73 2ctl h ASP 56 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ctl h ASP 56 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2ctl h ASP 56 CO 0.04 0.07 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.66 2ctl h ASP 57 N 0.00 0.00 0.00 2.28 1.82 -1.92 -3.49 116.42 115.11 2ctl h ASP 57 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ctl h ASP 57 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2ctl h ASP 57 CO 0.01 0.06 0.00 0.61 -1.61 0.00 0.00 179.24 178.30 2ctl n GLY 58 N 1.84 2.94 0.35 -0.78 0.00 -1.17 -4.87 105.19 103.50 2ctl n GLY 58 Ca -0.00 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.15 0.37 -2.62 1.61 -0.26 -1.94 -3.42 115.58 109.47 2ctl h ASN 59 Ca 0.00 0.01 -0.54 0.00 -0.56 0.00 0.00 56.30 55.21 2ctl h ASN 59 Cb 0.00 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2ctl h ASN 59 CO 0.00 0.23 -0.42 -1.10 -1.06 0.00 0.00 177.43 175.07 2ctl s GLN 60 N -5.40 3.46 -0.15 0.81 1.11 -1.26 -5.05 119.66 113.18 2ctl s GLN 60 Ca -0.08 -0.53 -0.29 0.00 0.01 0.00 0.00 55.36 54.47 2ctl s GLN 60 Cb 0.20 -2.92 -0.03 0.00 -1.01 0.00 0.00 33.01 29.24 2ctl s GLN 60 CO 0.75 0.48 1.56 -1.25 0.01 0.00 0.00 175.29 176.84 2ctl s PRO 61 N -3.30 4.02 0.31 2.91 0.04 -1.26 -4.84 135.00 132.87 2ctl s PRO 61 Ca 0.36 1.85 0.25 0.00 0.04 0.00 0.00 61.00 63.50 2ctl s PRO 61 Cb -0.11 -3.97 0.72 0.00 0.04 0.00 0.00 34.50 31.19 2ctl s PRO 61 CO 0.29 -1.02 1.73 1.96 0.04 0.00 0.00 177.00 180.00 2ctl h GLN 62 N 9.82 0.00 0.00 4.56 1.08 -1.90 -3.05 115.11 125.62 2ctl h GLN 62 Ca -0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2ctl h GLN 62 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2ctl h GLN 62 CO 0.98 0.00 -0.80 0.38 -0.95 0.00 0.00 178.83 178.44 2ctl h ASP 63 N 0.00 0.00 -2.87 1.46 2.03 -1.90 -3.34 116.42 111.80 2ctl h ASP 63 Ca 0.00 -0.19 -0.63 0.00 -0.73 0.00 0.00 57.03 55.48 2ctl h ASP 63 Cb 0.76 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.21 2ctl h ASP 63 CO 0.00 0.09 -0.40 -1.10 -1.03 0.00 0.00 179.24 176.80 2ctl s GLN 64 N -3.23 3.56 -0.17 4.15 -1.52 -1.15 -0.19 119.66 121.11 2ctl s GLN 64 Ca 0.04 -0.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.36 2ctl s GLN 64 Cb 0.13 -3.10 0.03 0.00 -0.22 0.00 0.00 33.01 29.84 2ctl s GLN 64 CO 0.75 0.67 -0.15 0.42 -0.25 0.00 0.00 175.29 176.73 2ctl s ILE 65 N -1.27 1.72 0.15 1.08 1.01 -0.25 -4.20 121.20 119.44 2ctl s ILE 65 Ca 0.26 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 2ctl s ILE 65 Cb -0.13 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.64 2ctl s ILE 65 CO 0.15 0.42 0.88 -0.89 0.00 0.00 0.00 174.94 175.50 2ctl s THR 66 N 1.41 4.40 -0.10 2.92 2.01 -0.96 -1.18 115.64 124.14 2ctl s THR 66 Ca 0.04 1.92 -0.04 0.00 0.31 0.00 0.00 61.69 63.92 2ctl s THR 66 Cb -0.14 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.18 2ctl s THR 66 CO -0.11 0.42 0.16 -0.63 -0.69 0.00 0.00 174.62 173.78 2ctl s ILE 67 N -0.58 -0.26 0.10 1.82 1.01 -0.64 -1.05 121.20 121.61 2ctl s ILE 67 Ca 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 2ctl s ILE 67 Cb -0.23 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2ctl s ILE 67 CO 0.28 0.08 0.28 -0.89 0.00 0.00 0.00 174.94 174.69 2ctl s THR 68 N 2.29 5.31 -5.00 2.92 2.01 0.11 -1.19 115.64 122.09 2ctl s THR 68 Ca 0.03 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2ctl s THR 68 Cb -0.13 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2ctl s THR 68 CO -0.07 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2ctl n GLY 69 N 0.05 0.74 3.68 4.40 0.00 -1.09 -1.18 105.19 111.79 2ctl n GLY 69 Ca -0.05 -1.90 -0.47 0.00 0.00 0.00 0.00 46.02 43.60 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 2.34 -0.56 1.61 4.01 -1.26 -4.10 117.16 117.91 2ctl n TYR 70 Ca 0.00 0.05 0.45 0.00 -0.16 0.00 0.00 57.90 58.24 2ctl n TYR 70 Cb 0.00 -2.64 0.69 0.00 -0.31 0.00 0.00 39.34 37.08 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 5.60 0.00 -0.03 -0.72 2.13 -1.26 -0.34 120.64 126.02 2ctl n GLU 71 Ca 0.20 1.02 -0.00 0.00 0.66 0.00 0.00 57.16 59.04 2ctl n GLU 71 Cb 0.30 -2.39 -0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 -0.03 0.00 5.31 1.79 -1.95 -3.25 116.57 118.45 2ctl h LYS 72 Ca 0.79 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 59.29 2ctl h LYS 72 Cb 3.40 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 34.01 2ctl h LYS 72 CO -0.01 -0.02 -0.32 -0.91 -1.08 0.00 0.00 179.45 177.12 2ctl h ASN 73 N -0.85 -0.95 -0.87 0.86 2.35 -1.00 -2.53 115.58 112.59 2ctl h ASN 73 Ca -0.00 0.12 0.11 0.00 -0.55 0.00 0.00 56.30 55.98 2ctl h ASN 73 Cb 0.02 0.38 -0.13 0.00 0.05 0.00 0.00 38.32 38.64 2ctl h ASN 73 CO 0.00 -0.38 -0.49 0.71 -1.65 0.00 0.00 177.43 175.62 2ctl h THR 74 N -0.47 0.02 -0.98 2.81 1.35 -1.00 0.69 112.91 115.34 2ctl h THR 74 Ca 0.06 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.10 2ctl h THR 74 Cb 0.56 0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 66.90 2ctl h THR 74 CO -0.26 0.00 0.61 -0.33 -0.25 0.00 0.00 175.52 175.29 2ctl h GLU 75 N -0.07 0.69 -0.78 4.72 4.39 -1.51 0.24 114.58 122.26 2ctl h GLU 75 Ca 0.22 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2ctl h GLU 75 Cb 0.52 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 2ctl h GLU 75 CO -0.88 0.46 0.40 0.00 -1.16 0.00 0.00 179.01 177.83 2ctl h ALA 76 N 1.62 1.24 0.03 3.43 0.00 0.76 -2.18 119.26 124.16 2ctl h ALA 76 Ca 0.53 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2ctl h ALA 76 Cb 0.89 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ctl h ALA 76 CO -0.30 0.60 -0.38 0.00 0.00 0.00 0.00 179.25 179.16 2ctl h ALA 77 N 1.35 0.00 -0.19 0.00 0.00 0.19 -3.23 119.26 117.37 2ctl h ALA 77 Ca 0.27 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2ctl h ALA 77 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ctl h ALA 77 CO -0.04 0.17 0.30 0.07 0.00 0.00 0.00 179.25 179.75 2ctl h ARG 78 N -0.51 0.00 0.00 0.00 -0.00 -0.56 0.21 114.38 113.53 2ctl h ARG 78 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.84 2ctl h ARG 78 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.15 2ctl h ARG 78 CO 0.07 0.00 -0.39 0.22 -0.00 0.00 0.00 179.97 179.87 2ctl h ASP 79 N 0.00 0.00 0.05 0.08 1.82 -1.41 -3.13 116.42 113.83 2ctl h ASP 79 Ca 0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2ctl h ASP 79 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2ctl h ASP 79 CO -0.00 0.39 -0.03 0.00 -1.61 0.00 0.00 179.24 177.99 2ctl h ALA 80 N 1.61 -0.07 -1.40 -0.78 0.00 -0.70 -1.38 119.26 116.53 2ctl h ALA 80 Ca -0.00 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 55.13 2ctl h ALA 80 Cb 0.69 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2ctl h ALA 80 CO 0.05 -0.36 0.98 0.82 0.00 0.00 0.00 179.25 180.74 2ctl h ILE 81 N -0.44 0.27 0.00 0.00 2.04 -1.58 -1.50 117.51 116.30 2ctl h ILE 81 Ca -0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2ctl h ILE 81 Cb 0.39 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2ctl h ILE 81 CO 0.01 0.01 -0.35 -0.07 0.00 0.00 0.00 178.15 177.75 2ctl h LEU 82 N 0.07 0.00 -1.83 1.44 3.38 -1.59 -3.13 115.31 113.64 2ctl h LEU 82 Ca 0.71 -0.12 0.53 0.00 0.09 0.00 0.00 57.88 59.10 2ctl h LEU 82 Cb 2.62 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 43.30 2ctl h LEU 82 CO -0.12 0.75 1.34 -1.14 0.09 0.00 0.00 178.44 179.36 2ctl n ARG 83 N -4.66 0.00 -0.02 1.13 0.63 -0.54 -1.17 116.66 112.04 2ctl n ARG 83 Ca -0.07 1.02 -0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2ctl n ARG 83 Cb 0.22 -2.37 -0.00 0.00 0.45 0.00 0.00 32.46 30.76 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 0.00 -0.70 5.15 2.04 -1.46 -3.37 117.51 119.17 2ctl h ILE 84 Ca 0.87 -0.28 0.20 0.00 1.00 0.00 0.00 64.86 66.65 2ctl h ILE 84 Cb 3.55 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 39.50 2ctl h ILE 84 CO -0.01 0.00 0.04 0.52 0.00 0.00 0.00 178.15 178.70 2ctl n VAL 85 N -2.81 -0.29 -0.21 1.67 0.31 -0.32 0.10 118.33 116.78 2ctl n VAL 85 Ca -0.00 1.54 -0.01 0.00 -0.01 0.00 0.00 64.34 65.85 2ctl n VAL 85 Cb 0.02 -2.26 0.06 0.00 -0.91 0.00 0.00 33.84 30.74 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 0.37 0.82 2.92 0.00 -1.52 -0.58 103.07 105.08 2ctl h GLY 86 Ca 0.44 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.93 2ctl h GLY 86 CO -0.65 -0.24 -0.22 1.05 0.00 0.00 0.00 176.54 176.48 2ctl h GLU 87 N -0.03 0.47 -0.37 4.80 4.11 0.52 -3.28 114.58 120.79 2ctl h GLU 87 Ca 0.30 -0.26 0.07 0.00 0.07 0.00 0.00 59.36 59.53 2ctl h GLU 87 Cb 0.49 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 2ctl h GLU 87 CO -0.66 0.84 -0.42 -0.07 0.07 0.00 0.00 179.01 178.77 2ctl h LEU 88 N 0.12 -1.40 -0.99 3.06 3.38 -0.56 0.35 115.31 119.27 2ctl h LEU 88 Ca 0.02 0.21 0.34 0.00 0.09 0.00 0.00 57.88 58.55 2ctl h LEU 88 Cb 0.78 0.61 -0.18 0.00 0.09 0.00 0.00 40.66 41.95 2ctl h LEU 88 CO 0.05 -0.37 0.29 -0.08 0.09 0.00 0.00 178.44 178.42 2ctl h GLU 89 N -0.34 0.02 0.60 1.13 4.22 -1.21 0.21 114.58 119.21 2ctl h GLU 89 Ca 0.13 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 2ctl h GLU 89 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2ctl h GLU 89 CO -0.55 0.01 -0.32 0.37 -2.18 0.00 0.00 179.01 176.34 2ctl h GLN 90 N 0.02 -0.82 -0.39 1.92 4.15 -1.03 -1.13 115.11 117.83 2ctl h GLN 90 Ca 0.72 0.06 0.04 0.00 0.77 0.00 0.00 58.65 60.23 2ctl h GLN 90 Cb 1.72 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 29.55 2ctl h GLN 90 CO -0.83 -0.55 -0.25 0.52 -1.93 0.00 0.00 178.83 175.78 2ctl h MET 91 N -0.85 -0.03 -2.08 1.69 2.86 -0.36 -1.11 114.93 115.05 2ctl h MET 91 Ca -0.08 0.00 -0.75 0.00 -2.06 0.00 0.00 59.70 56.82 2ctl h MET 91 Cb 0.67 0.01 -0.25 0.00 0.06 0.00 0.00 31.60 32.09 2ctl h MET 91 CO 0.11 -0.02 1.04 0.43 1.06 0.00 0.00 176.91 179.53 2ctl n SER 92 N -3.96 7.40 -4.06 1.22 7.64 -1.08 -4.95 113.62 115.83 2ctl n SER 92 Ca 0.00 -3.70 -0.09 0.00 1.01 0.00 0.00 58.87 56.09 2ctl n SER 92 Cb 0.12 -1.12 -0.09 0.00 -1.01 0.00 0.00 64.21 62.11 2ctl n SER 92 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctl s GLY 93 N -0.91 0.69 0.00 0.23 0.00 -0.42 -4.92 107.32 101.99 2ctl s GLY 93 Ca 0.50 -1.19 0.16 0.00 0.00 0.00 0.00 44.72 44.19 2ctl s GLY 93 CO -0.32 -1.14 1.35 -1.55 0.00 0.00 0.00 173.10 171.44 2ctl n PRO 94 N -0.11 0.45 -3.89 2.90 -0.04 -1.26 -4.86 135.00 128.19 2ctl n PRO 94 Ca -0.08 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 2ctl n PRO 94 Cb 0.63 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2ctl n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctl n SER 95 N -1.04 -0.59 -0.07 3.54 3.41 -1.26 -4.88 113.62 112.73 2ctl n SER 95 Ca 0.11 -0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 57.68 2ctl n SER 95 Cb 0.06 -3.31 -0.09 0.00 -0.26 0.00 0.00 64.21 60.61 2ctl n SER 95 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctl n SER 96 N -3.00 2.21 0.00 4.04 7.64 -1.26 -5.18 113.62 118.07 2ctl n SER 96 Ca -0.30 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2ctl n SER 96 Cb 0.68 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 2ctl n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64