#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 5.15 0.21 1.61 0.01 -1.26 -5.00 113.70 114.42 2ctl s SER 2 Ca 0.00 -0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.07 2ctl s SER 2 Cb 0.00 -1.88 0.30 0.00 0.21 0.00 0.00 66.02 64.65 2ctl s SER 2 CO 0.00 0.09 1.75 0.28 0.41 0.00 0.00 173.24 175.77 2ctl h SER 3 N 7.27 0.27 0.00 2.44 0.02 -2.12 -3.47 113.55 117.96 2ctl h SER 3 Ca -0.36 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2ctl h SER 3 Cb 1.18 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2ctl h SER 3 CO 0.63 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2ctl n GLY 4 N -1.30 0.77 3.72 -3.77 0.00 -1.26 -5.10 105.19 98.24 2ctl n GLY 4 Ca 0.09 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.02 3.57 -0.18 1.61 0.01 -1.26 -5.05 113.70 111.39 2ctl s SER 5 Ca 0.00 1.65 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 2ctl s SER 5 Cb 0.00 -2.31 0.05 0.00 0.21 0.00 0.00 66.02 63.97 2ctl s SER 5 CO 0.00 -2.60 0.01 -0.44 0.41 0.00 0.00 173.24 170.62 2ctl s SER 6 N -3.30 2.78 0.00 2.44 0.01 -1.26 -5.08 113.70 109.30 2ctl s SER 6 Ca 0.63 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2ctl s SER 6 Cb -0.19 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2ctl s SER 6 CO 0.57 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2ctl n GLY 7 N 5.01 0.52 3.77 3.44 0.00 -1.26 -5.09 105.19 111.59 2ctl n GLY 7 Ca -0.09 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.64 2.43 0.00 1.61 8.01 -1.26 -5.05 118.70 123.81 2ctl s GLU 8 Ca 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 54.97 53.44 2ctl s GLU 8 Cb 0.00 -2.22 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 2ctl s GLU 8 CO 0.00 0.05 0.00 1.04 0.01 0.00 0.00 175.26 176.36 2ctl n GLN 9 N -1.23 2.61 -2.28 1.61 6.02 -1.26 -4.81 117.38 118.03 2ctl n GLN 9 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 2ctl n GLN 9 Cb 0.61 -0.85 0.02 0.00 1.02 0.00 0.00 30.24 31.05 2ctl n GLN 9 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2ctl n GLU 10 N -1.45 3.65 -0.27 -1.09 0.00 -1.26 -4.77 120.64 115.45 2ctl n GLU 10 Ca 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 57.16 53.08 2ctl n GLU 10 Cb 0.29 -2.32 0.14 0.00 0.00 0.00 0.00 31.44 29.55 2ctl n GLU 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2ctl h ASP 11 N 3.28 0.64 -0.42 -1.84 3.58 -2.01 -0.50 116.42 119.15 2ctl h ASP 11 Ca 0.49 0.04 0.12 0.00 0.42 0.00 0.00 57.03 58.10 2ctl h ASP 11 Cb 0.27 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2ctl h ASP 11 CO 1.23 0.39 0.79 0.08 -2.88 0.00 0.00 179.24 178.85 2ctl h ARG 12 N 0.77 0.00 0.16 0.28 0.11 -2.00 1.07 114.38 114.77 2ctl h ARG 12 Ca 0.37 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.14 2ctl h ARG 12 Cb 0.29 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.38 2ctl h ARG 12 CO -0.22 0.00 -1.41 0.00 0.10 0.00 0.00 179.97 178.44 2ctl h ALA 13 N 0.82 0.09 -0.19 0.08 0.00 -1.45 -2.80 119.26 115.80 2ctl h ALA 13 Ca 0.20 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2ctl h ALA 13 Cb 1.78 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2ctl h ALA 13 CO -0.00 0.97 0.04 -0.07 0.00 0.00 0.00 179.25 180.19 2ctl h LEU 14 N 0.09 0.30 -1.13 0.00 3.38 0.11 -2.68 115.31 115.38 2ctl h LEU 14 Ca -0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2ctl h LEU 14 Cb 2.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2ctl h LEU 14 CO 0.21 0.46 0.00 0.08 0.09 0.00 0.00 178.44 179.28 2ctl h ARG 15 N 0.12 0.00 -1.43 1.13 0.11 -1.57 -3.13 114.38 109.61 2ctl h ARG 15 Ca 0.06 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.76 2ctl h ARG 15 Cb 0.28 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.20 2ctl h ARG 15 CO 0.00 0.00 0.49 -1.13 0.10 0.00 0.00 179.97 179.43 2ctl n SER 16 N -3.07 6.57 -4.65 0.08 3.41 -1.01 -3.59 113.62 111.35 2ctl n SER 16 Ca 0.01 -3.17 -0.37 0.00 -0.26 0.00 0.00 58.87 55.09 2ctl n SER 16 Cb 0.35 -1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 2ctl n SER 16 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2ctl s PHE 17 N -2.12 3.30 -0.21 7.33 2.19 -1.18 -4.96 117.98 122.33 2ctl s PHE 17 Ca 0.36 0.21 -0.05 0.00 0.33 0.00 0.00 56.93 57.77 2ctl s PHE 17 Cb 0.28 -2.27 -0.02 0.00 -1.31 0.00 0.00 43.02 39.70 2ctl s PHE 17 CO -0.00 0.04 0.00 0.21 1.83 0.00 0.00 175.22 177.30 2ctl s LYS 18 N 1.11 3.60 0.16 10.12 2.20 -1.26 -2.75 119.74 132.91 2ctl s LYS 18 Ca 0.07 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2ctl s LYS 18 Cb -0.14 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2ctl s LYS 18 CO 0.05 -0.02 0.07 -1.17 -0.36 0.00 0.00 175.35 173.92 2ctl s LEU 19 N 1.09 3.59 -0.11 5.43 2.96 -0.30 -4.95 118.68 126.39 2ctl s LEU 19 Ca 0.02 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2ctl s LEU 19 Cb -0.14 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.35 2ctl s LEU 19 CO 0.01 0.09 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.15 2ctl s SER 20 N -2.95 2.13 -0.12 3.68 1.04 -1.25 -2.11 113.70 114.12 2ctl s SER 20 Ca 0.29 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 2ctl s SER 20 Cb -0.10 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 2ctl s SER 20 CO 0.21 -0.16 0.04 -0.69 0.98 0.00 0.00 173.24 173.62 2ctl s VAL 21 N 1.78 4.61 -0.52 5.02 1.01 -0.61 -4.87 120.40 126.81 2ctl s VAL 21 Ca 0.04 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2ctl s VAL 21 Cb -0.13 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.32 2ctl s VAL 21 CO -0.07 0.56 0.67 -0.89 0.00 0.00 0.00 175.10 175.38 2ctl s THR 22 N -0.51 4.80 -0.15 3.92 2.01 -1.26 -1.15 115.64 123.30 2ctl s THR 22 Ca 0.10 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 2ctl s THR 22 Cb -0.12 -4.35 0.06 0.00 0.01 0.00 0.00 72.50 68.10 2ctl s THR 22 CO 0.02 -0.88 0.34 -0.69 -0.69 0.00 0.00 174.62 172.73 2ctl s VAL 23 N 2.81 -0.13 0.33 3.82 1.01 0.83 -5.03 120.40 124.05 2ctl s VAL 23 Ca 0.17 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2ctl s VAL 23 Cb -0.19 -0.52 -0.15 0.00 0.00 0.00 0.00 36.38 35.52 2ctl s VAL 23 CO 0.12 0.06 0.47 0.47 0.00 0.00 0.00 175.10 176.22 2ctl n ASP 24 N 4.47 -1.27 0.00 3.32 8.00 -1.26 -4.23 116.55 125.58 2ctl n ASP 24 Ca -0.21 0.98 0.06 0.00 0.71 0.00 0.00 54.79 56.33 2ctl n ASP 24 Cb 0.53 -1.02 0.37 0.00 -0.02 0.00 0.00 41.12 40.98 2ctl n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ctl n PRO 25 N 0.93 0.49 -0.00 -0.24 -0.04 -1.26 -2.99 135.00 131.88 2ctl n PRO 25 Ca 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 2ctl n PRO 25 Cb 0.34 -1.40 -0.13 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 0.22 0.00 0.54 2.10 -1.91 -3.30 116.57 114.23 2ctl h LYS 26 Ca 0.00 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2ctl h LYS 26 Cb 0.00 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2ctl h LYS 26 CO 0.00 1.10 0.00 1.88 -2.00 0.00 0.00 179.45 180.43 2ctl h TYR 27 N -0.51 0.00 -0.22 0.07 0.05 -1.89 -3.34 116.97 111.13 2ctl h TYR 27 Ca -0.08 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.74 2ctl h TYR 27 Cb 1.31 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.98 2ctl h TYR 27 CO 0.21 0.00 -0.54 0.45 -1.05 0.00 0.00 178.16 177.22 2ctl h HIS 28 N 0.00 -1.64 0.00 4.88 3.86 -1.63 0.30 115.15 120.93 2ctl h HIS 28 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctl h HIS 28 Cb 0.80 0.74 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2ctl h HIS 28 CO 0.00 -0.53 0.00 -0.35 0.86 0.00 0.00 177.93 177.91 2ctl n PRO 29 N -5.38 0.19 -0.02 2.45 -0.04 -1.25 -2.59 135.00 128.36 2ctl n PRO 29 Ca -0.05 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 2ctl n PRO 29 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.71 -0.08 0.54 4.76 0.76 -4.15 118.16 119.39 2ctl n LYS 30 Ca 0.07 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2ctl n LYS 30 Cb 0.12 -1.71 -0.05 0.00 -1.84 0.00 0.00 35.03 31.56 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 0.04 1.30 -0.60 -0.18 2.04 -0.42 -3.21 117.51 116.49 2ctl h ILE 31 Ca -0.41 -1.20 0.12 0.00 1.00 0.00 0.00 64.86 64.37 2ctl h ILE 31 Cb 2.03 1.58 -0.12 0.00 -0.74 0.00 0.00 36.82 39.58 2ctl h ILE 31 CO 0.07 0.37 -0.19 0.40 0.00 0.00 0.00 178.15 178.80 2ctl h ILE 32 N 0.21 0.34 0.00 -0.67 2.04 -1.73 -3.34 117.51 114.37 2ctl h ILE 32 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2ctl h ILE 32 Cb 0.62 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2ctl h ILE 32 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.80 2ctl n GLY 33 N -1.43 2.04 0.34 5.37 0.00 -1.21 -3.13 105.19 107.17 2ctl n GLY 33 Ca 0.06 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.22 0.00 1.61 3.08 -1.89 -3.27 114.38 113.69 2ctl h ARG 34 Ca 0.00 0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.72 2ctl h ARG 34 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2ctl h ARG 34 CO 0.00 -0.15 -2.30 1.17 -1.07 0.00 0.00 179.97 177.63 2ctl n LYS 35 N -4.76 0.80 0.00 0.04 3.00 -1.26 -5.01 118.16 110.96 2ctl n LYS 35 Ca -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2ctl n LYS 35 Cb 0.25 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2ctl n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctl n GLY 36 N 2.12 0.88 0.13 3.14 0.00 -1.24 -5.07 105.19 105.15 2ctl n GLY 36 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2ctl n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctl n ALA 37 N 0.00 0.92 -0.13 4.61 0.00 -1.24 -3.89 120.51 120.78 2ctl n ALA 37 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 2ctl n ALA 37 Cb 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.44 0.11 -0.95 0.00 2.07 -1.85 0.27 116.25 115.45 2ctl h VAL 38 Ca -0.44 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2ctl h VAL 38 Cb 1.71 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 2ctl h VAL 38 CO -0.09 0.00 0.59 -0.29 0.02 0.00 0.00 177.57 177.80 2ctl h ILE 39 N -0.33 0.98 0.10 4.57 6.09 -1.67 -2.69 117.51 124.56 2ctl h ILE 39 Ca 0.13 -0.34 0.02 0.00 -1.37 0.00 0.00 64.86 63.30 2ctl h ILE 39 Cb 0.58 -0.11 -0.05 0.00 0.47 0.00 0.00 36.82 37.72 2ctl h ILE 39 CO -0.58 0.18 -0.45 0.74 -3.07 0.00 0.00 178.15 174.97 2ctl h THR 40 N 1.00 0.11 -0.66 2.19 2.02 -1.08 0.11 112.91 116.59 2ctl h THR 40 Ca 0.44 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.76 2ctl h THR 40 Cb 0.33 0.11 -0.13 0.00 -1.74 0.00 0.00 68.15 66.72 2ctl h THR 40 CO -0.22 0.00 -0.17 -0.61 0.37 0.00 0.00 175.52 174.89 2ctl h GLN 41 N -0.67 -0.00 -0.04 6.66 5.75 -1.05 0.21 115.11 125.97 2ctl h GLN 41 Ca 0.02 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2ctl h GLN 41 Cb 0.70 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 2ctl h GLN 41 CO -0.27 -0.00 -0.04 0.82 -2.65 0.00 0.00 178.83 176.69 2ctl h ILE 42 N -0.00 0.88 0.47 2.39 2.04 -1.28 0.42 117.51 122.42 2ctl h ILE 42 Ca 0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 2ctl h ILE 42 Cb 0.48 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2ctl h ILE 42 CO -0.68 0.00 -0.37 0.03 0.00 0.00 0.00 178.15 177.13 2ctl h ARG 43 N -0.05 -0.80 -0.82 2.37 3.08 0.53 -1.59 114.38 117.11 2ctl h ARG 43 Ca 0.03 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2ctl h ARG 43 Cb 0.10 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2ctl h ARG 43 CO -0.07 -0.53 0.54 -0.07 -1.07 0.00 0.00 179.97 178.76 2ctl h LEU 44 N -0.83 0.89 0.20 3.04 3.38 -0.56 1.23 115.31 122.66 2ctl h LEU 44 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2ctl h LEU 44 Cb 0.71 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2ctl h LEU 44 CO -0.01 0.62 -0.27 -0.08 0.09 0.00 0.00 178.44 178.80 2ctl h GLU 45 N 1.03 -0.50 -0.01 1.13 4.81 0.25 -2.23 114.58 119.06 2ctl h GLU 45 Ca 0.32 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2ctl h GLU 45 Cb -0.01 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2ctl h GLU 45 CO -0.09 -0.34 -0.04 0.72 -0.73 0.00 0.00 179.01 178.54 2ctl n HIS 46 N -5.38 0.00 -3.72 0.92 8.25 -0.63 -4.93 115.22 109.72 2ctl n HIS 46 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 2ctl n HIS 46 Cb 0.29 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.02 -5.08 -4.49 0.41 8.00 0.40 -4.85 116.55 110.93 2ctl n ASP 47 Ca 0.18 -0.66 -0.23 0.00 0.71 0.00 0.00 54.79 54.78 2ctl n ASP 47 Cb 0.34 -4.51 -0.11 0.00 -0.02 0.00 0.00 41.12 36.83 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 -3.34 1.75 -0.28 2.53 -7.23 0.04 -4.92 120.40 108.94 2ctl s VAL 48 Ca 0.54 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2ctl s VAL 48 Cb -0.25 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.04 2ctl s VAL 48 CO 0.78 -0.17 0.08 0.21 -0.31 0.00 0.00 175.10 175.68 2ctl s ASN 49 N -3.53 5.12 -0.29 4.85 3.84 -0.96 -4.49 114.94 119.48 2ctl s ASN 49 Ca 0.32 -0.58 -0.04 0.00 0.21 0.00 0.00 52.86 52.77 2ctl s ASN 49 Cb 0.05 -1.89 0.03 0.00 -0.55 0.00 0.00 41.25 38.89 2ctl s ASN 49 CO 0.15 -0.15 0.03 -0.63 -2.79 0.00 0.00 177.10 173.70 2ctl s ILE 50 N 1.53 3.39 0.16 -5.21 1.01 -1.26 -1.28 121.20 119.53 2ctl s ILE 50 Ca 0.04 -1.06 0.10 0.00 0.00 0.00 0.00 60.65 59.73 2ctl s ILE 50 Cb -0.17 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2ctl s ILE 50 CO 0.03 0.00 -0.20 -1.10 0.00 0.00 0.00 174.94 173.67 2ctl s GLN 51 N 1.37 1.70 0.14 2.79 -1.52 -0.29 -5.03 119.66 118.81 2ctl s GLN 51 Ca -0.01 -1.33 0.09 0.00 -1.95 0.00 0.00 55.36 52.15 2ctl s GLN 51 Cb -0.18 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 2ctl s GLN 51 CO -0.00 0.44 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.28 2ctl s PHE 52 N -1.41 2.60 0.74 0.91 0.40 -1.26 -2.33 117.98 117.63 2ctl s PHE 52 Ca 0.20 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 2ctl s PHE 52 Cb -0.09 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.14 2ctl s PHE 52 CO 0.10 0.44 1.10 -1.25 0.70 0.00 0.00 175.22 176.32 2ctl s PRO 53 N -2.42 2.43 -0.26 0.24 0.04 -1.26 -4.98 135.00 128.79 2ctl s PRO 53 Ca 0.21 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 2ctl s PRO 53 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2ctl s PRO 53 CO 0.13 -1.52 0.16 0.34 0.04 0.00 0.00 177.00 176.15 2ctl s ASP 54 N -3.14 5.96 0.56 6.66 2.15 -1.26 -4.95 116.67 122.65 2ctl s ASP 54 Ca 0.63 0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.92 2ctl s ASP 54 Cb -0.18 -2.09 1.67 0.00 -0.30 0.00 0.00 42.92 42.02 2ctl s ASP 54 CO 0.51 0.00 2.18 0.07 -0.17 0.00 0.00 175.17 177.77 2ctl h LYS 55 N 7.98 0.00 -0.47 4.34 -0.00 -1.95 -2.15 116.57 124.32 2ctl h LYS 55 Ca -0.36 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.19 2ctl h LYS 55 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 2ctl h LYS 55 CO 0.60 0.05 -0.09 0.22 -0.00 0.00 0.00 179.45 180.23 2ctl h ASP 56 N 0.00 0.89 0.09 7.07 3.58 -1.98 -3.20 116.42 122.86 2ctl h ASP 56 Ca -0.00 -0.35 0.02 0.00 0.42 0.00 0.00 57.03 57.12 2ctl h ASP 56 Cb 0.13 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2ctl h ASP 56 CO 0.01 1.03 -0.25 -0.78 -2.88 0.00 0.00 179.24 176.37 2ctl h ASP 57 N 0.73 -0.71 0.00 2.28 3.58 -1.77 -3.46 116.42 117.07 2ctl h ASP 57 Ca 0.12 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2ctl h ASP 57 Cb 0.63 0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2ctl h ASP 57 CO 0.04 -0.33 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 2ctl n GLY 58 N -1.37 2.22 0.32 -0.78 0.00 -1.21 -4.57 105.19 99.80 2ctl n GLY 58 Ca -0.06 -0.06 0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 4.12 0.27 -4.87 1.61 4.13 -1.26 -4.28 115.26 114.98 2ctl n ASN 59 Ca 0.00 1.38 -0.31 0.00 1.68 0.00 0.00 54.58 57.33 2ctl n ASN 59 Cb 0.00 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 37.52 2ctl n ASN 59 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ctl s GLN 60 N -5.24 3.86 0.03 3.52 -0.21 -1.26 -5.03 119.66 115.33 2ctl s GLN 60 Ca -0.07 0.50 -0.30 0.00 0.02 0.00 0.00 55.36 55.50 2ctl s GLN 60 Cb 0.29 -2.44 -0.06 0.00 1.00 0.00 0.00 33.01 31.80 2ctl s GLN 60 CO 0.69 0.08 1.42 -1.25 -2.12 0.00 0.00 175.29 174.12 2ctl s PRO 61 N -3.42 4.28 0.18 2.91 0.04 -1.26 -4.91 135.00 132.82 2ctl s PRO 61 Ca 0.52 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.82 2ctl s PRO 61 Cb -0.10 -3.51 0.32 0.00 0.04 0.00 0.00 34.50 31.24 2ctl s PRO 61 CO 0.25 -0.56 1.34 1.96 0.04 0.00 0.00 177.00 180.03 2ctl h GLN 62 N 7.69 0.00 0.00 4.56 1.08 -1.90 -3.28 115.11 123.26 2ctl h GLN 62 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2ctl h GLN 62 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2ctl h GLN 62 CO 0.90 0.00 -0.72 -0.40 -0.95 0.00 0.00 178.83 177.65 2ctl n ASP 63 N -2.35 0.61 -4.76 1.46 5.68 -1.26 -4.12 116.55 111.82 2ctl n ASP 63 Ca 0.03 -0.22 -0.37 0.00 -0.50 0.00 0.00 54.79 53.73 2ctl n ASP 63 Cb 0.47 0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.84 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 -3.09 4.19 -0.14 0.11 -1.52 -1.24 -0.12 119.66 117.85 2ctl s GLN 64 Ca 0.08 0.31 -0.02 0.00 -1.95 0.00 0.00 55.36 53.77 2ctl s GLN 64 Cb 0.16 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 2ctl s GLN 64 CO 0.75 0.33 -0.06 0.42 -0.25 0.00 0.00 175.29 176.48 2ctl s ILE 65 N 0.10 3.69 -0.14 1.08 1.01 -0.30 -4.17 121.20 122.46 2ctl s ILE 65 Ca 0.22 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 2ctl s ILE 65 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 2ctl s ILE 65 CO 0.09 0.52 0.25 -0.89 0.00 0.00 0.00 174.94 174.90 2ctl s THR 66 N 0.18 5.33 -0.04 2.92 2.01 -0.98 -1.58 115.64 123.47 2ctl s THR 66 Ca -0.03 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 2ctl s THR 66 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2ctl s THR 66 CO 0.03 0.46 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 2ctl s ILE 67 N 0.03 0.07 0.15 1.82 1.01 -0.90 -1.14 121.20 122.25 2ctl s ILE 67 Ca 0.15 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2ctl s ILE 67 Cb -0.13 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2ctl s ILE 67 CO 0.04 0.18 0.25 -0.89 0.00 0.00 0.00 174.94 174.51 2ctl s THR 68 N 1.77 5.13 0.00 2.92 2.01 -0.41 -1.15 115.64 125.91 2ctl s THR 68 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2ctl s THR 68 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2ctl s THR 68 CO -0.03 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2ctl n GLY 69 N -0.46 1.47 3.66 4.40 0.00 -1.11 -2.26 105.19 110.89 2ctl n GLY 69 Ca -0.07 -1.99 -0.50 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.78 2.08 -0.42 1.61 4.01 -1.26 -4.02 117.16 117.39 2ctl n TYR 70 Ca 0.00 0.32 0.34 0.00 -0.16 0.00 0.00 57.90 58.40 2ctl n TYR 70 Cb 0.00 -2.51 0.56 0.00 -0.31 0.00 0.00 39.34 37.07 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 4.34 -0.02 -0.01 -0.72 2.13 -1.25 -0.39 120.64 124.72 2ctl n GLU 71 Ca 0.20 0.93 -0.00 0.00 0.66 0.00 0.00 57.16 58.95 2ctl n GLU 71 Cb 0.24 -1.92 -0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 -1.36 5.31 1.79 -1.94 -3.23 116.57 117.13 2ctl h LYS 72 Ca 0.70 0.00 0.44 0.00 -2.18 0.00 0.00 60.65 59.61 2ctl h LYS 72 Cb 2.42 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 32.95 2ctl h LYS 72 CO -0.25 -0.00 0.89 -0.91 -1.08 0.00 0.00 179.45 178.10 2ctl h ASN 73 N -0.28 0.22 1.00 0.86 4.21 -1.29 0.66 115.58 120.96 2ctl h ASN 73 Ca -0.00 0.12 -0.05 0.00 1.21 0.00 0.00 56.30 57.58 2ctl h ASN 73 Cb 0.00 0.11 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 2ctl h ASN 73 CO 0.00 -0.16 -0.48 0.71 -1.29 0.00 0.00 177.43 176.21 2ctl h THR 74 N 0.08 0.00 -0.71 2.81 1.35 -0.84 -2.84 112.91 112.75 2ctl h THR 74 Ca 0.82 -0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.82 2ctl h THR 74 Cb 2.64 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 68.92 2ctl h THR 74 CO -0.37 0.00 -0.11 -0.33 -0.25 0.00 0.00 175.52 174.45 2ctl h GLU 75 N -1.34 0.03 -0.72 4.72 5.08 -0.89 0.81 114.58 122.27 2ctl h GLU 75 Ca -0.14 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.43 2ctl h GLU 75 Cb 1.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2ctl h GLU 75 CO 0.23 0.02 0.53 0.00 -1.00 0.00 0.00 179.01 178.79 2ctl h ALA 76 N 1.70 2.66 0.00 3.43 0.00 -1.38 0.95 119.26 126.62 2ctl h ALA 76 Ca 0.36 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2ctl h ALA 76 Cb 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2ctl h ALA 76 CO -0.70 -0.90 -0.99 0.00 0.00 0.00 0.00 179.25 176.66 2ctl h ALA 77 N 1.61 0.21 -0.05 0.00 0.00 0.70 -3.35 119.26 118.37 2ctl h ALA 77 Ca 0.34 -1.05 0.01 0.00 0.00 0.00 0.00 54.91 54.22 2ctl h ALA 77 Cb 1.40 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2ctl h ALA 77 CO -0.00 0.56 0.16 0.07 0.00 0.00 0.00 179.25 180.04 2ctl h ARG 78 N -1.00 0.00 -0.17 0.00 -0.00 0.03 -1.49 114.38 111.75 2ctl h ARG 78 Ca -0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.68 2ctl h ARG 78 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 2ctl h ARG 78 CO -0.16 0.00 -0.02 0.22 -0.00 0.00 0.00 179.97 180.01 2ctl h ASP 79 N 0.00 0.30 0.62 0.08 3.58 -0.96 -3.25 116.42 116.79 2ctl h ASP 79 Ca 0.02 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 2ctl h ASP 79 Cb 0.34 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2ctl h ASP 79 CO -0.00 0.56 -0.45 0.00 -2.88 0.00 0.00 179.24 176.48 2ctl h ALA 80 N 0.75 -1.19 -0.88 -0.78 0.00 -1.42 -0.68 119.26 115.06 2ctl h ALA 80 Ca 0.04 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.08 2ctl h ALA 80 Cb 0.42 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 2ctl h ALA 80 CO 0.01 -1.18 0.53 -0.89 0.00 0.00 0.00 179.25 177.72 2ctl n ILE 81 N -5.21 -0.26 -0.06 0.00 5.41 -1.20 0.28 119.36 118.32 2ctl n ILE 81 Ca -0.12 1.44 -0.06 0.00 1.00 0.00 0.00 62.75 65.00 2ctl n ILE 81 Cb 0.44 -2.35 -0.06 0.00 -0.71 0.00 0.00 39.64 36.96 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 -0.95 1.39 3.38 -1.46 -3.23 115.31 114.45 2ctl h LEU 82 Ca 0.65 -0.45 0.27 0.00 0.09 0.00 0.00 57.88 58.43 2ctl h LEU 82 Cb 1.89 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.47 2ctl h LEU 82 CO -0.47 0.73 0.05 -1.14 0.09 0.00 0.00 178.44 177.70 2ctl n ARG 83 N -4.70 -0.07 0.44 1.13 0.63 0.14 -0.73 116.66 113.50 2ctl n ARG 83 Ca -0.05 1.41 -0.17 0.00 -0.92 0.00 0.00 57.85 58.12 2ctl n ARG 83 Cb 0.22 -2.26 -0.08 0.00 0.45 0.00 0.00 32.46 30.79 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 -0.54 5.15 2.04 -1.40 -3.23 117.51 119.53 2ctl h ILE 84 Ca 0.59 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.45 2ctl h ILE 84 Cb 1.24 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2ctl h ILE 84 CO -0.88 0.00 -0.32 0.52 0.00 0.00 0.00 178.15 177.47 2ctl n VAL 85 N -5.15 -0.37 -0.34 1.67 0.31 0.09 0.58 118.33 115.13 2ctl n VAL 85 Ca -0.14 1.55 0.05 0.00 -0.01 0.00 0.00 64.34 65.79 2ctl n VAL 85 Cb 0.44 -1.94 0.12 0.00 -0.91 0.00 0.00 33.84 31.55 2ctl n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ctl n GLY 86 N -1.13 -1.63 0.41 2.92 0.00 -1.03 -1.16 105.19 103.56 2ctl n GLY 86 Ca 0.01 1.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.96 -0.79 1.61 4.39 0.10 -3.04 114.58 115.90 2ctl h GLU 87 Ca 0.44 0.07 0.30 0.00 0.34 0.00 0.00 59.36 60.51 2ctl h GLU 87 Cb 0.68 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.40 2ctl h GLU 87 CO -0.97 -0.62 0.32 1.28 -1.16 0.00 0.00 179.01 177.85 2ctl n LEU 88 N -5.45 0.18 0.33 1.33 4.77 -0.31 0.73 117.00 118.58 2ctl n LEU 88 Ca -0.13 1.32 -0.17 0.00 -0.03 0.00 0.00 56.01 57.00 2ctl n LEU 88 Cb 0.40 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2ctl n LEU 88 CO 0.32 -1.44 0.64 -0.33 -1.33 0.00 0.00 177.39 175.25 2ctl h GLU 89 N 0.00 -0.83 -0.66 3.23 5.08 -1.24 -2.49 114.58 117.67 2ctl h GLU 89 Ca 0.62 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 59.10 2ctl h GLU 89 Cb 1.57 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.93 2ctl h GLU 89 CO -0.65 -0.56 -0.45 0.37 -1.00 0.00 0.00 179.01 176.73 2ctl h GLN 90 N -0.86 -0.07 -0.59 2.33 4.15 0.32 0.32 115.11 120.71 2ctl h GLN 90 Ca -0.07 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.47 2ctl h GLN 90 Cb 0.70 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.29 2ctl h GLN 90 CO 0.08 -0.05 -0.22 0.52 -1.93 0.00 0.00 178.83 177.24 2ctl h MET 91 N -0.07 -0.07 -6.93 1.69 2.86 -1.49 -3.41 114.93 107.51 2ctl h MET 91 Ca 0.11 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.20 2ctl h MET 91 Cb 0.35 0.02 0.18 0.00 0.06 0.00 0.00 31.60 32.21 2ctl h MET 91 CO -0.66 -0.05 -0.01 0.43 1.06 0.00 0.00 176.91 177.68 2ctl n SER 92 N -5.43 0.02 -3.01 1.22 7.64 0.10 -5.00 113.62 109.16 2ctl n SER 92 Ca 0.06 0.60 -0.17 0.00 1.01 0.00 0.00 58.87 60.37 2ctl n SER 92 Cb 0.34 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 2ctl n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctl n GLY 93 N 1.13 1.77 3.59 0.23 0.00 -1.26 -4.95 105.19 105.70 2ctl n GLY 93 Ca 0.12 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.49 -1.26 0.22 1.61 0.04 -1.26 -5.00 135.00 128.86 2ctl s PRO 94 Ca 0.34 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.00 2ctl s PRO 94 Cb 0.20 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 33.06 2ctl s PRO 94 CO -0.16 -3.73 1.00 0.45 0.04 0.00 0.00 177.00 174.60 2ctl s SER 95 N -3.91 7.49 0.31 6.66 0.15 -1.26 -5.06 113.70 118.08 2ctl s SER 95 Ca 0.71 2.02 0.07 0.00 0.70 0.00 0.00 55.95 59.46 2ctl s SER 95 Cb -0.09 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2ctl s SER 95 CO 0.56 0.00 0.25 -0.44 1.20 0.00 0.00 173.24 174.82 2ctl s SER 96 N -0.80 5.33 0.00 5.45 0.01 -1.26 -5.34 113.70 117.09 2ctl s SER 96 Ca 0.44 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2ctl s SER 96 Cb -0.28 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2ctl s SER 96 CO 0.34 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.36