#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 -0.03 0.08 1.61 1.04 -1.26 -5.16 113.70 109.97 2ctl s SER 2 Ca 0.00 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 2ctl s SER 2 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 2ctl s SER 2 CO 0.00 -0.19 0.06 -0.94 0.98 0.00 0.00 173.24 173.15 2ctl s SER 3 N 1.64 0.34 0.00 7.02 1.04 -1.26 -5.13 113.70 117.35 2ctl s SER 3 Ca -0.06 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2ctl s SER 3 Cb -0.11 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2ctl s SER 3 CO -0.08 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2ctl n GLY 4 N 0.02 1.58 3.47 7.32 0.00 -1.26 -5.19 105.19 111.13 2ctl n GLY 4 Ca -0.13 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2ctl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctl s SER 5 N 1.82 -0.48 -0.05 1.61 1.04 -1.26 -5.16 113.70 111.21 2ctl s SER 5 Ca 0.00 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 2ctl s SER 5 Cb 0.00 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 2ctl s SER 5 CO 0.00 -0.78 0.27 -0.94 0.98 0.00 0.00 173.24 172.77 2ctl s SER 6 N -2.49 6.59 0.00 7.02 1.04 -1.26 -5.05 113.70 119.56 2ctl s SER 6 Ca 0.02 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2ctl s SER 6 Cb -0.01 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2ctl s SER 6 CO -0.09 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2ctl n GLY 7 N 1.83 -1.88 3.14 7.32 0.00 -1.26 -5.15 105.19 109.19 2ctl n GLY 7 Ca -0.16 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 2ctl n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ctl s GLU 8 N -1.88 2.16 -0.17 1.61 -1.05 -1.26 -5.02 118.70 113.10 2ctl s GLU 8 Ca 0.00 -0.66 0.16 0.00 -0.15 0.00 0.00 54.97 54.32 2ctl s GLU 8 Cb 0.00 -1.77 0.44 0.00 -0.44 0.00 0.00 34.13 32.36 2ctl s GLU 8 CO 0.00 0.19 1.19 0.94 0.95 0.00 0.00 175.26 178.53 2ctl n GLN 9 N 3.37 1.47 -1.77 -4.83 0.00 -1.26 -4.83 117.38 109.53 2ctl n GLN 9 Ca -0.19 -3.09 -0.34 0.00 -0.00 0.00 0.00 57.00 53.38 2ctl n GLN 9 Cb 0.53 -1.24 0.05 0.00 0.00 0.00 0.00 30.24 29.57 2ctl n GLN 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2ctl n GLU 10 N -0.49 2.95 -0.08 3.69 0.00 -1.26 -4.63 120.64 120.82 2ctl n GLU 10 Ca 0.18 -3.66 -0.15 0.00 0.00 0.00 0.00 57.16 53.52 2ctl n GLU 10 Cb 0.89 -2.28 -0.11 0.00 0.00 0.00 0.00 31.44 29.94 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 2.41 0.00 -1.46 -1.84 2.03 -2.00 -3.26 116.42 112.30 2ctl h ASP 11 Ca 0.52 -0.74 0.46 0.00 -0.73 0.00 0.00 57.03 56.54 2ctl h ASP 11 Cb 0.70 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.10 2ctl h ASP 11 CO 1.32 1.12 1.00 -2.11 -1.03 0.00 0.00 179.24 179.54 2ctl n ARG 12 N -4.56 -0.02 -0.00 4.15 1.85 -1.26 0.15 116.66 116.96 2ctl n ARG 12 Ca -0.17 1.04 -0.17 0.00 -1.00 0.00 0.00 57.85 57.55 2ctl n ARG 12 Cb 0.51 -2.19 -0.14 0.00 -1.05 0.00 0.00 32.46 29.59 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 1.17 -0.04 -0.16 2.89 0.00 -1.93 -3.26 119.26 117.92 2ctl h ALA 13 Ca 0.80 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2ctl h ALA 13 Cb 2.88 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.67 2ctl h ALA 13 CO -0.23 0.21 -0.15 -0.07 0.00 0.00 0.00 179.25 179.01 2ctl h LEU 14 N -0.60 -0.49 -1.20 0.00 3.38 0.13 0.18 115.31 116.71 2ctl h LEU 14 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ctl h LEU 14 Cb 1.34 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2ctl h LEU 14 CO 0.09 -0.20 0.01 -2.11 0.09 0.00 0.00 178.44 176.32 2ctl n ARG 15 N -5.30 0.12 -1.31 1.13 1.85 -0.42 -1.53 116.66 111.20 2ctl n ARG 15 Ca -0.02 0.61 -0.32 0.00 -1.00 0.00 0.00 57.85 57.12 2ctl n ARG 15 Cb 0.22 -1.89 0.11 0.00 -1.05 0.00 0.00 32.46 29.84 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 -2.13 6.62 -4.62 2.89 2.88 0.63 -3.89 113.62 116.00 2ctl n SER 16 Ca -0.01 -3.74 -0.37 0.00 -1.33 0.00 0.00 58.87 53.42 2ctl n SER 16 Cb 0.04 -0.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 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 -3.69 3.26 -0.22 0.66 2.19 -0.58 -5.00 117.98 114.60 2ctl s PHE 17 Ca 0.63 0.14 -0.06 0.00 0.33 0.00 0.00 56.93 57.96 2ctl s PHE 17 Cb 0.50 -2.29 -0.03 0.00 -1.31 0.00 0.00 43.02 39.89 2ctl s PHE 17 CO 0.02 -0.03 0.03 0.21 1.83 0.00 0.00 175.22 177.28 2ctl s LYS 18 N 1.29 3.66 0.01 10.12 2.20 -1.26 -2.81 119.74 132.95 2ctl s LYS 18 Ca 0.07 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2ctl s LYS 18 Cb -0.14 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2ctl s LYS 18 CO 0.06 -0.04 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.84 2ctl s LEU 19 N 1.18 3.49 -0.23 5.43 2.96 -0.21 -4.95 118.68 126.35 2ctl s LEU 19 Ca 0.04 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2ctl s LEU 19 Cb -0.14 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.57 2ctl s LEU 19 CO 0.02 0.27 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.25 2ctl s SER 20 N -1.61 3.95 -0.17 3.68 1.04 -1.25 -1.98 113.70 117.36 2ctl s SER 20 Ca 0.20 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.52 2ctl s SER 20 Cb -0.11 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 2ctl s SER 20 CO 0.11 -0.11 0.09 -0.69 0.98 0.00 0.00 173.24 173.62 2ctl s VAL 21 N 1.21 5.06 -0.49 5.02 1.01 -0.82 -4.87 120.40 126.52 2ctl s VAL 21 Ca -0.02 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2ctl s VAL 21 Cb -0.17 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.99 2ctl s VAL 21 CO -0.08 0.49 0.72 -0.89 0.00 0.00 0.00 175.10 175.34 2ctl s THR 22 N 0.01 4.73 -0.15 3.92 2.01 -1.26 -0.89 115.64 124.01 2ctl s THR 22 Ca 0.07 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 2ctl s THR 22 Cb -0.12 -4.33 0.05 0.00 0.01 0.00 0.00 72.50 68.12 2ctl s THR 22 CO 0.00 -0.81 0.37 -0.69 -0.69 0.00 0.00 174.62 172.80 2ctl s VAL 23 N 3.05 -0.03 0.24 3.82 1.01 0.73 -5.03 120.40 124.19 2ctl s VAL 23 Ca 0.22 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2ctl s VAL 23 Cb -0.16 -0.55 -0.16 0.00 0.00 0.00 0.00 36.38 35.52 2ctl s VAL 23 CO 0.17 0.04 0.76 -0.67 0.00 0.00 0.00 175.10 175.40 2ctl n ASP 24 N 4.15 -0.03 0.00 3.32 -0.08 -1.26 -4.31 116.55 118.34 2ctl n ASP 24 Ca -0.23 1.15 0.08 0.00 -1.51 0.00 0.00 54.79 54.28 2ctl n ASP 24 Cb 0.55 -1.11 0.45 0.00 2.34 0.00 0.00 41.12 43.35 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2ctl n PRO 25 N 0.90 0.49 0.06 -0.67 -0.04 -1.26 -2.43 135.00 132.05 2ctl n PRO 25 Ca 0.14 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2ctl n PRO 25 Cb 0.28 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.00 0.00 0.54 2.10 -1.91 -3.31 116.57 113.99 2ctl h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ctl h LYS 26 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2ctl h LYS 26 CO 0.00 0.71 -1.24 0.66 -2.00 0.00 0.00 179.45 177.58 2ctl n TYR 27 N -3.21 0.61 -0.16 0.07 4.01 -1.02 -4.36 117.16 113.10 2ctl n TYR 27 Ca -0.04 0.18 -0.14 0.00 -0.16 0.00 0.00 57.90 57.74 2ctl n TYR 27 Cb 0.90 -0.76 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.72 0.00 -0.72 3.86 -1.64 0.59 115.15 115.52 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 0.95 0.81 0.00 0.00 1.06 0.00 0.00 27.41 30.23 2ctl h HIS 28 CO 0.00 -0.48 0.00 -0.35 0.86 0.00 0.00 177.93 177.96 2ctl n PRO 29 N -5.37 0.20 -0.05 2.45 -0.04 -1.26 -2.36 135.00 128.57 2ctl n PRO 29 Ca -0.03 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2ctl n PRO 29 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.04 0.54 4.76 0.18 -4.25 118.16 118.78 2ctl n LYS 30 Ca 0.07 0.20 -0.14 0.00 -2.87 0.00 0.00 58.31 55.56 2ctl n LYS 30 Cb 0.12 -1.70 -0.04 0.00 -1.84 0.00 0.00 35.03 31.57 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 1.35 -0.78 -0.18 2.04 -0.27 -3.25 117.51 116.41 2ctl h ILE 31 Ca -0.37 -2.23 0.17 0.00 1.00 0.00 0.00 64.86 63.43 2ctl h ILE 31 Cb 2.09 2.24 -0.11 0.00 -0.74 0.00 0.00 36.82 40.29 2ctl h ILE 31 CO 0.06 0.68 0.24 0.40 0.00 0.00 0.00 178.15 179.53 2ctl h ILE 32 N 0.34 0.51 0.00 -0.67 2.04 -1.72 -3.36 117.51 114.66 2ctl h ILE 32 Ca -0.07 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2ctl h ILE 32 Cb 1.49 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2ctl h ILE 32 CO 0.16 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.98 2ctl n GLY 33 N -1.35 2.22 0.39 5.37 0.00 -1.23 -2.90 105.19 107.68 2ctl n GLY 33 Ca 0.16 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.17 0.00 1.61 2.47 -1.92 -3.23 114.38 113.14 2ctl h ARG 34 Ca 0.00 0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.38 2ctl h ARG 34 Cb 0.00 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.29 2ctl h ARG 34 CO 0.00 -0.11 -2.32 0.36 0.56 0.00 0.00 179.97 178.46 2ctl n LYS 35 N -5.04 0.78 0.00 0.04 2.85 -1.26 -5.01 118.16 110.51 2ctl n LYS 35 Ca -0.01 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2ctl n LYS 35 Cb 0.27 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctl n GLY 36 N 2.11 0.97 0.13 2.58 0.00 -1.22 -5.06 105.19 104.69 2ctl n GLY 36 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 0.96 -0.28 4.61 0.00 -1.24 -3.75 120.51 120.81 2ctl n ALA 37 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 53.44 52.85 2ctl n ALA 37 Cb 0.00 -0.45 0.22 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.49 0.34 -0.09 0.00 2.07 -1.86 0.55 116.25 116.78 2ctl h VAL 38 Ca -0.46 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 2ctl h VAL 38 Cb 1.69 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2ctl h VAL 38 CO -0.12 0.03 -0.48 -0.29 0.02 0.00 0.00 177.57 176.74 2ctl h ILE 39 N 0.17 1.34 -0.32 4.57 6.09 -1.68 -2.85 117.51 124.84 2ctl h ILE 39 Ca 0.48 -1.68 -0.14 0.00 -1.37 0.00 0.00 64.86 62.15 2ctl h ILE 39 Cb 0.91 1.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.99 2ctl h ILE 39 CO -0.65 0.50 -0.35 0.74 -3.07 0.00 0.00 178.15 175.32 2ctl h THR 40 N 0.19 1.29 -0.53 2.19 2.02 -0.19 -2.03 112.91 115.84 2ctl h THR 40 Ca 0.01 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 2ctl h THR 40 Cb 0.91 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2ctl h THR 40 CO 0.07 0.50 0.29 -0.61 0.37 0.00 0.00 175.52 176.14 2ctl h GLN 41 N 0.58 0.73 -0.52 6.66 5.75 -0.42 -1.23 115.11 126.67 2ctl h GLN 41 Ca 0.05 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 2ctl h GLN 41 Cb 0.94 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 2ctl h GLN 41 CO 0.09 0.57 0.05 0.82 -2.65 0.00 0.00 178.83 177.70 2ctl h ILE 42 N 0.70 1.26 0.27 2.39 2.04 -1.49 0.66 117.51 123.34 2ctl h ILE 42 Ca 0.18 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2ctl h ILE 42 Cb 0.05 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2ctl h ILE 42 CO -0.03 0.36 -0.13 0.03 0.00 0.00 0.00 178.15 178.38 2ctl h ARG 43 N 0.75 -0.35 -0.68 2.37 3.08 -1.12 -2.59 114.38 115.84 2ctl h ARG 43 Ca 0.15 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 2ctl h ARG 43 Cb 0.45 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2ctl h ARG 43 CO 0.02 -0.22 0.15 -0.07 -1.07 0.00 0.00 179.97 178.77 2ctl h LEU 44 N -0.39 1.05 -0.30 3.04 3.38 -1.21 0.67 115.31 121.56 2ctl h LEU 44 Ca -0.04 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2ctl h LEU 44 Cb 0.30 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2ctl h LEU 44 CO 0.06 1.02 -0.32 -0.08 0.09 0.00 0.00 178.44 179.20 2ctl h GLU 45 N 1.04 -0.29 -0.09 1.13 4.57 -0.68 -0.75 114.58 119.51 2ctl h GLU 45 Ca 0.21 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2ctl h GLU 45 Cb 0.39 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2ctl h GLU 45 CO 0.01 -0.20 0.00 0.72 -1.18 0.00 0.00 179.01 178.36 2ctl n HIS 46 N -5.41 0.10 -3.68 0.92 8.25 -0.99 -4.95 115.22 109.45 2ctl n HIS 46 Ca -0.01 -0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.16 2ctl n HIS 46 Cb 0.33 0.00 0.06 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 0.69 -4.84 -4.80 0.41 8.00 0.19 -4.82 116.55 111.38 2ctl n ASP 47 Ca 0.17 -0.65 -0.32 0.00 0.71 0.00 0.00 54.79 54.70 2ctl n ASP 47 Cb 0.45 -4.62 -0.06 0.00 -0.02 0.00 0.00 41.12 36.87 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 -3.35 1.20 -0.14 2.53 -7.23 0.12 -4.89 120.40 108.64 2ctl s VAL 48 Ca 0.47 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2ctl s VAL 48 Cb -0.22 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.64 2ctl s VAL 48 CO 0.77 0.00 -0.14 0.21 -0.31 0.00 0.00 175.10 175.63 2ctl s ASN 49 N -3.96 2.61 -0.23 4.85 2.47 -0.63 -4.50 114.94 115.54 2ctl s ASN 49 Ca 0.09 -0.46 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 2ctl s ASN 49 Cb 0.00 -1.14 0.01 0.00 -1.45 0.00 0.00 41.25 38.68 2ctl s ASN 49 CO 0.05 -0.05 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.68 2ctl s ILE 50 N 1.45 2.94 -0.07 -5.21 1.01 -1.26 -0.53 121.20 119.53 2ctl s ILE 50 Ca 0.04 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2ctl s ILE 50 Cb -0.13 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2ctl s ILE 50 CO -0.09 0.32 -0.20 -1.58 0.00 0.00 0.00 174.94 173.39 2ctl s GLN 51 N 1.37 2.35 0.20 2.79 2.00 0.54 -5.02 119.66 123.90 2ctl s GLN 51 Ca 0.03 -0.71 -0.04 0.00 -2.00 0.00 0.00 55.36 52.63 2ctl s GLN 51 Cb -0.15 -1.89 -0.05 0.00 0.80 0.00 0.00 33.01 31.71 2ctl s GLN 51 CO -0.05 0.19 0.44 -0.06 -0.50 0.00 0.00 175.29 175.31 2ctl s PHE 52 N 0.26 3.47 0.75 1.67 0.08 -1.26 -1.58 117.98 121.37 2ctl s PHE 52 Ca -0.12 0.55 -0.11 0.00 0.12 0.00 0.00 56.93 57.37 2ctl s PHE 52 Cb -0.15 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 2ctl s PHE 52 CO 0.05 0.35 1.10 -1.25 -0.10 0.00 0.00 175.22 175.36 2ctl s PRO 53 N -3.03 2.36 -0.20 0.24 0.04 -1.26 -4.96 135.00 128.18 2ctl s PRO 53 Ca 0.42 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2ctl s PRO 53 Cb -0.11 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2ctl s PRO 53 CO 0.26 -1.57 0.08 0.34 0.04 0.00 0.00 177.00 176.16 2ctl s ASP 54 N -3.20 5.70 0.12 6.66 -1.08 -1.26 -4.96 116.67 118.65 2ctl s ASP 54 Ca 0.62 0.07 -0.17 0.00 -0.52 0.00 0.00 52.55 52.55 2ctl s ASP 54 Cb -0.18 -1.99 -0.03 0.00 -1.46 0.00 0.00 42.92 39.26 2ctl s ASP 54 CO 0.53 0.13 1.70 0.07 0.52 0.00 0.00 175.17 178.12 2ctl h LYS 55 N 7.00 0.48 -0.88 4.34 2.10 -1.95 -2.76 116.57 124.90 2ctl h LYS 55 Ca -0.37 -0.07 0.19 0.00 -2.00 0.00 0.00 60.65 58.39 2ctl h LYS 55 Cb 1.17 -0.09 -0.11 0.00 -0.90 0.00 0.00 32.23 32.30 2ctl h LYS 55 CO 0.69 0.44 0.42 -0.44 -2.00 0.00 0.00 179.45 178.56 2ctl h ASP 56 N 0.40 0.44 -0.00 7.07 3.32 -1.99 -2.25 116.42 123.41 2ctl h ASP 56 Ca 0.11 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.31 2ctl h ASP 56 Cb 0.12 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2ctl h ASP 56 CO -0.01 0.10 -0.41 -0.78 -1.72 0.00 0.00 179.24 176.42 2ctl h ASP 57 N 0.51 -1.28 0.00 6.45 3.58 -1.87 -3.46 116.42 120.35 2ctl h ASP 57 Ca 0.52 0.14 0.00 0.00 0.42 0.00 0.00 57.03 58.11 2ctl h ASP 57 Cb 0.89 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2ctl h ASP 57 CO -0.45 -0.40 0.00 0.61 -2.88 0.00 0.00 179.24 176.11 2ctl n GLY 58 N -1.35 2.15 0.52 -0.78 0.00 -0.85 -4.63 105.19 100.25 2ctl n GLY 58 Ca -0.06 -0.27 0.41 0.00 0.00 0.00 0.00 46.02 46.11 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 4.29 0.13 -4.88 1.61 5.03 -1.26 -4.27 115.26 115.91 2ctl n ASN 59 Ca 0.00 1.15 -0.31 0.00 0.87 0.00 0.00 54.58 56.29 2ctl n ASN 59 Cb 0.00 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.14 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 -4.97 3.79 0.26 3.52 -0.21 -1.26 -5.05 119.66 115.74 2ctl s GLN 60 Ca -0.06 0.28 -0.29 0.00 0.02 0.00 0.00 55.36 55.31 2ctl s GLN 60 Cb 0.27 -2.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 2ctl s GLN 60 CO 0.78 0.26 1.27 -1.25 -2.12 0.00 0.00 175.29 174.22 2ctl s PRO 61 N -3.04 4.43 0.05 2.91 0.04 -1.26 -4.93 135.00 133.21 2ctl s PRO 61 Ca 0.48 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.80 2ctl s PRO 61 Cb -0.11 -3.15 -0.20 0.00 0.04 0.00 0.00 34.50 31.08 2ctl s PRO 61 CO 0.23 -0.14 0.72 1.04 0.04 0.00 0.00 177.00 178.89 2ctl n GLN 62 N 1.71 0.60 0.00 4.56 1.13 -1.26 -4.07 117.38 120.05 2ctl n GLN 62 Ca 0.03 -0.07 0.12 0.00 -1.94 0.00 0.00 57.00 55.13 2ctl n GLN 62 Cb 0.43 -1.63 0.16 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.36 0.64 -4.74 1.08 5.75 -1.26 -4.18 116.55 111.48 2ctl n ASP 63 Ca -0.02 -0.45 -0.36 0.00 -0.01 0.00 0.00 54.79 53.95 2ctl n ASP 63 Cb 0.55 0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 40.99 2ctl n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2ctl s GLN 64 N -2.99 4.18 -0.04 0.11 -1.52 -1.26 -0.19 119.66 117.96 2ctl s GLN 64 Ca 0.11 -0.04 -0.02 0.00 -1.95 0.00 0.00 55.36 53.45 2ctl s GLN 64 Cb 0.17 -3.41 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 2ctl s GLN 64 CO 0.74 0.30 0.08 0.42 -0.25 0.00 0.00 175.29 176.58 2ctl s ILE 65 N 0.32 4.84 -0.22 1.08 1.01 -0.06 -4.21 121.20 123.95 2ctl s ILE 65 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2ctl s ILE 65 Cb -0.12 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2ctl s ILE 65 CO 0.02 0.44 0.03 -0.89 0.00 0.00 0.00 174.94 174.54 2ctl s THR 66 N -1.12 4.08 -0.11 2.92 2.01 -0.62 -1.94 115.64 120.87 2ctl s THR 66 Ca 0.20 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2ctl s THR 66 Cb -0.12 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.54 2ctl s THR 66 CO 0.10 0.39 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.69 2ctl s ILE 67 N 1.31 1.18 0.09 1.82 1.01 -0.84 -0.34 121.20 125.43 2ctl s ILE 67 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2ctl s ILE 67 Cb -0.15 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2ctl s ILE 67 CO 0.02 0.38 0.07 -0.89 0.00 0.00 0.00 174.94 174.53 2ctl s THR 68 N 1.33 4.47 0.00 2.92 2.01 0.31 -1.05 115.64 125.64 2ctl s THR 68 Ca -0.01 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2ctl s THR 68 Cb -0.14 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2ctl s THR 68 CO -0.05 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2ctl n GLY 69 N 0.41 1.41 3.67 4.40 0.00 -1.12 -1.61 105.19 112.34 2ctl n GLY 69 Ca -0.09 -1.93 -0.52 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.95 2.05 -0.47 1.61 4.02 -1.26 -4.07 117.16 117.09 2ctl n TYR 70 Ca 0.00 0.36 0.37 0.00 -0.01 0.00 0.00 57.90 58.62 2ctl n TYR 70 Cb 0.00 -2.50 0.58 0.00 -0.02 0.00 0.00 39.34 37.40 2ctl n TYR 70 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2ctl n GLU 71 N 4.77 -0.01 -0.04 -0.72 2.13 -1.26 -0.11 120.64 125.39 2ctl n GLU 71 Ca 0.22 0.88 -0.00 0.00 0.66 0.00 0.00 57.16 58.91 2ctl n GLU 71 Cb 0.21 -1.90 -0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 -1.10 5.31 1.79 -1.96 -3.26 116.57 117.35 2ctl h LYS 72 Ca 0.70 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 59.49 2ctl h LYS 72 Cb 2.60 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 33.20 2ctl h LYS 72 CO -0.15 0.00 0.80 -0.91 -1.08 0.00 0.00 179.45 178.11 2ctl h ASN 73 N -0.78 0.00 0.79 0.86 4.21 -0.83 -1.44 115.58 118.38 2ctl h ASN 73 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 2ctl h ASN 73 Cb 0.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2ctl h ASN 73 CO 0.00 0.00 -0.38 0.71 -1.29 0.00 0.00 177.43 176.47 2ctl h THR 74 N 0.00 0.00 -0.54 2.81 1.35 -0.67 -2.99 112.91 112.87 2ctl h THR 74 Ca 0.52 -0.15 0.11 0.00 -0.55 0.00 0.00 66.41 66.34 2ctl h THR 74 Cb 2.12 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 68.43 2ctl h THR 74 CO -0.01 0.00 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.74 2ctl h GLU 75 N -1.21 -0.06 -0.70 4.72 5.08 -1.31 0.57 114.58 121.67 2ctl h GLU 75 Ca -0.11 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.46 2ctl h GLU 75 Cb 0.81 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2ctl h GLU 75 CO 0.18 -0.04 0.67 0.00 -1.00 0.00 0.00 179.01 178.82 2ctl h ALA 76 N 1.38 2.51 0.01 3.43 0.00 -1.49 0.19 119.26 125.28 2ctl h ALA 76 Ca 0.26 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 2ctl h ALA 76 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2ctl h ALA 76 CO -0.59 -1.03 -1.64 0.00 0.00 0.00 0.00 179.25 175.98 2ctl n ALA 77 N -2.43 0.90 0.33 0.00 0.00 0.17 -4.15 120.51 115.32 2ctl n ALA 77 Ca 0.14 -0.65 0.21 0.00 0.00 0.00 0.00 53.44 53.14 2ctl n ALA 77 Cb 0.92 -0.41 1.12 0.00 0.00 0.00 0.00 19.45 21.09 2ctl n ALA 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2ctl h ARG 78 N -0.88 0.00 0.00 0.00 -0.00 0.45 0.08 114.38 114.03 2ctl h ARG 78 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.46 2ctl h ARG 78 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.41 2ctl h ARG 78 CO -0.23 0.00 -0.37 0.22 -0.00 0.00 0.00 179.97 179.59 2ctl h ASP 79 N 0.00 0.00 0.09 0.08 3.58 -0.82 -3.18 116.42 116.17 2ctl h ASP 79 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ctl h ASP 79 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2ctl h ASP 79 CO -0.00 0.37 -0.04 0.00 -2.88 0.00 0.00 179.24 176.69 2ctl h ALA 80 N 1.63 -0.12 -1.20 -0.78 0.00 -1.16 -2.18 119.26 115.44 2ctl h ALA 80 Ca -0.00 -0.26 0.38 0.00 0.00 0.00 0.00 54.91 55.03 2ctl h ALA 80 Cb 0.73 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2ctl h ALA 80 CO 0.05 -0.19 0.76 0.82 0.00 0.00 0.00 179.25 180.69 2ctl h ILE 81 N -0.89 0.22 0.03 0.00 2.04 -1.57 -0.96 117.51 116.38 2ctl h ILE 81 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctl h ILE 81 Cb 0.56 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2ctl h ILE 81 CO 0.02 0.03 -0.01 -0.07 0.00 0.00 0.00 178.15 178.12 2ctl h LEU 82 N 0.18 -0.03 -0.90 1.44 3.38 -1.60 -3.24 115.31 114.52 2ctl h LEU 82 Ca 0.76 -0.29 0.35 0.00 0.09 0.00 0.00 57.88 58.79 2ctl h LEU 82 Cb 2.21 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 42.80 2ctl h LEU 82 CO -0.44 0.60 0.38 -1.14 0.09 0.00 0.00 178.44 177.93 2ctl n ARG 83 N -4.76 -0.06 0.37 1.13 0.63 -0.45 -0.42 116.66 113.10 2ctl n ARG 83 Ca -0.03 1.27 -0.14 0.00 -0.92 0.00 0.00 57.85 58.03 2ctl n ARG 83 Cb 0.15 -2.22 -0.07 0.00 0.45 0.00 0.00 32.46 30.77 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 -0.77 5.15 2.04 -1.43 -3.26 117.51 119.25 2ctl h ILE 84 Ca 0.72 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 66.51 2ctl h ILE 84 Cb 1.82 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.81 2ctl h ILE 84 CO -0.73 0.00 -0.45 0.52 0.00 0.00 0.00 178.15 177.49 2ctl n VAL 85 N -4.92 -0.52 -0.33 1.67 0.31 0.45 0.12 118.33 115.11 2ctl n VAL 85 Ca -0.12 1.85 0.25 0.00 -0.01 0.00 0.00 64.34 66.32 2ctl n VAL 85 Cb 0.37 -2.29 0.47 0.00 -0.91 0.00 0.00 33.84 31.48 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 1.87 0.29 2.92 0.00 -1.53 -0.69 103.07 105.94 2ctl h GLY 86 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2ctl h GLY 86 CO -0.72 -0.69 -0.12 0.83 0.00 0.00 0.00 176.54 175.84 2ctl h GLU 87 N 0.01 -0.32 -0.99 4.80 5.08 0.90 -3.19 114.58 120.87 2ctl h GLU 87 Ca 0.75 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 59.52 2ctl h GLU 87 Cb 1.85 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 31.02 2ctl h GLU 87 CO -0.83 -0.10 0.57 1.28 -1.00 0.00 0.00 179.01 178.93 2ctl n LEU 88 N -4.99 0.28 0.35 1.33 4.77 -0.37 0.13 117.00 118.49 2ctl n LEU 88 Ca -0.06 1.41 -0.16 0.00 -0.03 0.00 0.00 56.01 57.18 2ctl n LEU 88 Cb 0.18 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 2ctl n LEU 88 CO 0.15 -1.57 0.46 -0.33 -1.33 0.00 0.00 177.39 174.77 2ctl h GLU 89 N 0.00 -0.87 -1.79 3.23 5.08 -1.33 -3.04 114.58 115.86 2ctl h GLU 89 Ca 0.77 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 59.11 2ctl h GLU 89 Cb 2.16 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 31.58 2ctl h GLU 89 CO -0.61 -0.55 0.10 0.94 -1.00 0.00 0.00 179.01 177.89 2ctl n GLN 90 N -5.40 1.19 -3.81 2.33 7.27 0.12 -4.71 117.38 114.36 2ctl n GLN 90 Ca -0.12 -0.39 -0.28 0.00 0.07 0.00 0.00 57.00 56.28 2ctl n GLN 90 Cb 0.38 -1.15 -0.16 0.00 2.41 0.00 0.00 30.24 31.71 2ctl n GLN 90 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 2ctl s MET 91 N -0.45 1.02 -0.14 3.69 -1.94 -0.75 -4.99 119.30 115.74 2ctl s MET 91 Ca 0.08 -0.55 -0.40 0.00 -1.71 0.00 0.00 55.69 53.10 2ctl s MET 91 Cb 0.06 -2.15 -0.18 0.00 2.01 0.00 0.00 34.83 34.57 2ctl s MET 91 CO 0.00 -0.58 1.43 0.43 -0.01 0.00 0.00 175.02 176.30 2ctl n SER 92 N 4.93 1.38 -3.60 3.03 7.64 -1.26 -4.93 113.62 120.80 2ctl n SER 92 Ca -0.10 1.13 -0.09 0.00 1.01 0.00 0.00 58.87 60.82 2ctl n SER 92 Cb 0.47 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.66 -0.15 -0.19 0.23 0.00 -1.26 -5.13 107.32 102.47 2ctl s GLY 93 Ca 0.94 2.38 -0.29 0.00 0.00 0.00 0.00 44.72 47.75 2ctl s GLY 93 CO 0.61 1.30 1.59 2.56 0.00 0.00 0.00 173.10 179.15 2ctl s PRO 94 N -0.70 3.90 -0.22 2.90 0.04 -1.26 -4.95 135.00 134.71 2ctl s PRO 94 Ca 0.01 1.74 -0.32 0.00 0.04 0.00 0.00 61.00 62.48 2ctl s PRO 94 Cb -0.02 -4.00 0.16 0.00 0.04 0.00 0.00 34.50 30.67 2ctl s PRO 94 CO -0.03 -1.17 1.21 -1.54 0.04 0.00 0.00 177.00 175.52 2ctl s SER 95 N 3.88 -0.15 0.05 6.66 1.04 -1.26 -5.19 113.70 118.73 2ctl s SER 95 Ca 0.70 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 57.23 2ctl s SER 95 Cb -0.26 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 2ctl s SER 95 CO 0.28 -0.19 -0.04 -0.55 0.98 0.00 0.00 173.24 173.72 2ctl s SER 96 N -1.51 0.57 0.00 7.02 0.15 -1.26 -5.28 113.70 113.39 2ctl s SER 96 Ca 0.07 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2ctl s SER 96 Cb -0.01 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2ctl s SER 96 CO -0.04 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.48