#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 -0.31 0.36 1.61 1.04 -1.26 -5.16 113.70 109.97 2ctl s SER 2 Ca 0.00 0.74 0.07 0.00 0.48 0.00 0.00 55.95 57.24 2ctl s SER 2 Cb 0.00 1.47 -0.01 0.00 0.10 0.00 0.00 66.02 67.58 2ctl s SER 2 CO 0.00 -0.26 0.42 -0.44 0.98 0.00 0.00 173.24 173.94 2ctl s SER 3 N 2.65 5.60 0.00 7.02 0.01 -1.26 -5.06 113.70 122.66 2ctl s SER 3 Ca 0.07 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2ctl s SER 3 Cb -0.14 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2ctl s SER 3 CO -0.16 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2ctl n GLY 4 N -1.58 -0.66 4.34 3.44 0.00 -1.26 -5.03 105.19 104.45 2ctl n GLY 4 Ca 0.01 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2ctl n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctl n SER 5 N 0.00 -0.84 -4.85 1.61 3.41 -1.26 -4.92 113.62 106.77 2ctl n SER 5 Ca 0.00 -1.20 -0.22 0.00 -0.26 0.00 0.00 58.87 57.20 2ctl n SER 5 Cb 0.00 -1.95 -0.04 0.00 -0.26 0.00 0.00 64.21 61.96 2ctl n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctl s SER 6 N -3.81 4.94 0.00 4.04 1.04 -1.26 -5.08 113.70 113.57 2ctl s SER 6 Ca 0.41 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2ctl s SER 6 Cb -0.24 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.30 2ctl s SER 6 CO 0.99 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2ctl n GLY 7 N -1.47 2.80 3.56 7.32 0.00 -1.26 -5.09 105.19 111.04 2ctl n GLY 7 Ca 0.02 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -5.07 -1.37 -0.09 1.61 0.41 -1.26 -4.99 118.70 107.93 2ctl s GLU 8 Ca 0.00 -0.03 0.19 0.00 -0.41 0.00 0.00 54.97 54.72 2ctl s GLU 8 Cb 0.00 -1.58 -0.26 0.00 -1.78 0.00 0.00 34.13 30.51 2ctl s GLU 8 CO 0.00 -3.82 0.36 1.04 -0.49 0.00 0.00 175.26 172.35 2ctl n GLN 9 N -4.84 0.67 -3.82 1.61 1.13 -1.26 -4.81 117.38 106.05 2ctl n GLN 9 Ca 0.13 -0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.85 2ctl n GLN 9 Cb 0.59 -1.57 -0.15 0.00 0.11 0.00 0.00 30.24 29.22 2ctl n GLN 9 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2ctl s GLU 10 N -2.96 1.00 -0.20 -1.09 1.03 -1.26 -4.97 118.70 110.25 2ctl s GLU 10 Ca -0.08 -1.19 -0.08 0.00 0.03 0.00 0.00 54.97 53.65 2ctl s GLU 10 Cb 0.09 -2.34 -0.20 0.00 -0.80 0.00 0.00 34.13 30.88 2ctl s GLU 10 CO 0.86 -0.90 0.06 -0.40 -1.33 0.00 0.00 175.26 173.55 2ctl n ASP 11 N 4.71 2.01 -0.65 0.83 5.68 -1.26 -3.83 116.55 124.04 2ctl n ASP 11 Ca -0.03 0.18 0.50 0.00 -0.50 0.00 0.00 54.79 54.94 2ctl n ASP 11 Cb 0.43 -0.76 0.78 0.00 -1.14 0.00 0.00 41.12 40.43 2ctl n ASP 11 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2ctl n ARG 12 N -3.73 -0.01 -0.05 0.11 1.85 -1.26 0.62 116.66 114.19 2ctl n ARG 12 Ca -0.39 1.11 -0.20 0.00 -1.00 0.00 0.00 57.85 57.37 2ctl n ARG 12 Cb 0.93 -2.46 -0.13 0.00 -1.05 0.00 0.00 32.46 29.75 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 1.12 0.17 -0.82 2.89 0.00 -1.95 -3.24 119.26 117.43 2ctl h ALA 13 Ca 0.92 -1.00 0.20 0.00 0.00 0.00 0.00 54.91 55.02 2ctl h ALA 13 Cb 3.52 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 21.65 2ctl h ALA 13 CO -0.12 0.60 0.23 -0.07 0.00 0.00 0.00 179.25 179.89 2ctl h LEU 14 N -0.70 0.05 -1.11 0.00 3.38 0.08 0.59 115.31 117.60 2ctl h LEU 14 Ca -0.25 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2ctl h LEU 14 Cb 1.43 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2ctl h LEU 14 CO -0.05 -0.08 -0.41 0.08 0.09 0.00 0.00 178.44 178.07 2ctl h ARG 15 N 0.27 0.00 -0.99 1.13 0.11 -1.43 -2.81 114.38 110.67 2ctl h ARG 15 Ca 0.49 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.37 2ctl h ARG 15 Cb 0.91 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.87 2ctl h ARG 15 CO -0.57 0.41 0.26 0.45 0.10 0.00 0.00 179.97 180.62 2ctl n SER 16 N -3.83 3.29 -4.66 0.08 2.88 0.20 -3.57 113.62 108.02 2ctl n SER 16 Ca -0.01 -2.65 -0.39 0.00 -1.33 0.00 0.00 58.87 54.48 2ctl n SER 16 Cb 0.47 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.40 3.37 -0.18 0.66 2.19 -1.05 -5.00 117.98 116.56 2ctl s PHE 17 Ca 0.24 0.77 -0.05 0.00 0.33 0.00 0.00 56.93 58.22 2ctl s PHE 17 Cb 0.20 -2.68 -0.03 0.00 -1.31 0.00 0.00 43.02 39.20 2ctl s PHE 17 CO 0.05 -0.11 0.01 0.21 1.83 0.00 0.00 175.22 177.20 2ctl s LYS 18 N 1.68 3.75 0.17 10.12 2.20 -1.26 -2.79 119.74 133.61 2ctl s LYS 18 Ca 0.24 -0.47 0.09 0.00 -0.36 0.00 0.00 55.97 55.48 2ctl s LYS 18 Cb -0.15 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2ctl s LYS 18 CO 0.10 0.17 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.95 2ctl s LEU 19 N 0.59 2.84 -0.12 5.43 2.96 0.55 -4.93 118.68 126.01 2ctl s LEU 19 Ca -0.00 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2ctl s LEU 19 Cb -0.14 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.02 2ctl s LEU 19 CO 0.02 0.12 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.70 2ctl s SER 20 N -2.68 2.21 -0.21 3.68 0.01 -1.25 -0.49 113.70 114.96 2ctl s SER 20 Ca 0.23 -0.37 -0.13 0.00 1.31 0.00 0.00 55.95 56.98 2ctl s SER 20 Cb -0.09 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2ctl s SER 20 CO 0.13 -0.19 0.28 -0.69 0.41 0.00 0.00 173.24 173.19 2ctl s VAL 21 N 1.81 5.28 -0.81 3.43 1.01 -0.48 -4.81 120.40 125.83 2ctl s VAL 21 Ca 0.03 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 2ctl s VAL 21 Cb -0.14 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2ctl s VAL 21 CO -0.07 0.31 1.27 -0.89 0.00 0.00 0.00 175.10 175.71 2ctl s THR 22 N 1.10 3.92 -0.04 3.92 2.01 -1.26 -1.48 115.64 123.81 2ctl s THR 22 Ca 0.14 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 2ctl s THR 22 Cb -0.14 -4.91 0.02 0.00 0.01 0.00 0.00 72.50 67.48 2ctl s THR 22 CO 0.06 -1.80 0.10 -0.69 -0.69 0.00 0.00 174.62 171.60 2ctl s VAL 23 N 5.11 -0.03 0.40 3.82 1.01 0.86 -5.04 120.40 126.53 2ctl s VAL 23 Ca 0.36 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 2ctl s VAL 23 Cb -0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 36.38 36.02 2ctl s VAL 23 CO 0.06 0.04 0.82 0.47 0.00 0.00 0.00 175.10 176.50 2ctl n ASP 24 N 3.64 0.39 0.00 3.32 9.92 -1.26 -4.21 116.55 128.36 2ctl n ASP 24 Ca -0.20 1.01 0.08 0.00 -0.53 0.00 0.00 54.79 55.15 2ctl n ASP 24 Cb 0.55 -1.24 0.41 0.00 -0.64 0.00 0.00 41.12 40.20 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 0.39 0.34 0.06 -0.24 -0.04 -1.25 -2.72 135.00 131.53 2ctl n PRO 25 Ca 0.11 0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 2ctl n PRO 25 Cb 0.38 -1.50 -0.06 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 0.49 0.00 0.54 2.10 -1.90 -3.24 116.57 114.56 2ctl h LYS 26 Ca 0.00 -0.52 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2ctl h LYS 26 Cb 0.07 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2ctl h LYS 26 CO 0.00 1.16 -0.79 1.88 -2.00 0.00 0.00 179.45 179.69 2ctl h TYR 27 N 0.28 0.00 -0.44 0.07 0.05 -1.88 -3.39 116.97 111.66 2ctl h TYR 27 Ca -0.09 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.74 2ctl h TYR 27 Cb 1.59 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.25 2ctl h TYR 27 CO 0.07 0.00 -0.55 0.45 -1.05 0.00 0.00 178.16 177.08 2ctl h HIS 28 N 0.00 -1.69 0.00 4.88 3.86 -1.57 0.52 115.15 121.15 2ctl h HIS 28 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2ctl h HIS 28 Cb 0.89 0.79 0.00 0.00 1.06 0.00 0.00 27.41 30.15 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 -5.30 0.17 -0.00 2.45 -0.04 -1.26 -2.27 135.00 128.75 2ctl n PRO 29 Ca -0.03 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2ctl n PRO 29 Cb 0.33 -1.50 -0.11 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 -1.32 0.63 0.01 0.54 4.76 0.16 -4.30 118.16 118.63 2ctl n LYS 30 Ca 0.06 0.19 -0.18 0.00 -2.87 0.00 0.00 58.31 55.50 2ctl n LYS 30 Cb 0.13 -1.75 -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 1.55 -0.96 -0.18 2.04 -0.41 -3.34 117.51 116.21 2ctl h ILE 31 Ca -0.24 -2.47 0.22 0.00 1.00 0.00 0.00 64.86 63.37 2ctl h ILE 31 Cb 1.75 3.21 -0.18 0.00 -0.74 0.00 0.00 36.82 40.85 2ctl h ILE 31 CO 0.05 0.68 -0.14 0.40 0.00 0.00 0.00 178.15 179.14 2ctl h ILE 32 N -0.56 0.04 0.00 -0.67 2.04 -1.72 -3.37 117.51 113.27 2ctl h ILE 32 Ca -0.12 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2ctl h ILE 32 Cb 1.46 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2ctl h ILE 32 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.86 2ctl n GLY 33 N -1.56 3.19 0.24 5.37 0.00 -1.25 -2.10 105.19 109.08 2ctl n GLY 33 Ca 0.18 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.41 0.00 1.61 3.08 -1.89 -3.23 114.38 113.54 2ctl h ARG 34 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ctl h ARG 34 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2ctl h ARG 34 CO 0.00 -0.27 -1.73 1.17 -1.07 0.00 0.00 179.97 178.07 2ctl n LYS 35 N -5.33 0.61 0.00 0.04 3.00 -1.26 -4.98 118.16 110.24 2ctl n LYS 35 Ca -0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 2ctl n LYS 35 Cb 0.24 -1.46 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 1.39 0.91 0.08 3.14 0.00 -1.22 -4.96 105.19 104.52 2ctl n GLY 36 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.69 2.45 0.10 4.61 0.00 -1.26 -3.61 120.51 121.10 2ctl n ALA 37 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2ctl n ALA 37 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 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 0.00 0.00 -0.88 0.00 2.07 -1.90 -3.14 116.25 112.40 2ctl h VAL 38 Ca 0.00 -0.60 0.17 0.00 0.82 0.00 0.00 66.70 67.09 2ctl h VAL 38 Cb 0.69 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 2ctl h VAL 38 CO 0.00 0.00 0.45 -0.29 0.02 0.00 0.00 177.57 177.75 2ctl h ILE 39 N -0.92 0.67 -0.66 4.57 6.09 -1.56 0.16 117.51 125.86 2ctl h ILE 39 Ca -0.03 -0.20 0.10 0.00 -1.37 0.00 0.00 64.86 63.35 2ctl h ILE 39 Cb 0.25 0.02 -0.04 0.00 0.47 0.00 0.00 36.82 37.52 2ctl h ILE 39 CO 0.05 0.11 0.44 0.74 -3.07 0.00 0.00 178.15 176.42 2ctl h THR 40 N 0.59 0.92 0.38 2.19 2.02 -1.67 -0.75 112.91 116.59 2ctl h THR 40 Ca 0.50 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 2ctl h THR 40 Cb 0.78 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2ctl h THR 40 CO -0.40 0.09 -0.18 -0.61 0.37 0.00 0.00 175.52 174.79 2ctl h GLN 41 N 0.51 -0.49 -0.60 6.66 -0.00 -0.63 -1.10 115.11 119.47 2ctl h GLN 41 Ca 0.30 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.99 2ctl h GLN 41 Cb 0.50 0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.07 2ctl h GLN 41 CO -0.10 -0.23 0.40 0.82 0.00 0.00 0.00 178.83 179.72 2ctl h ILE 42 N -0.68 1.16 0.30 2.39 2.04 -1.30 0.25 117.51 121.67 2ctl h ILE 42 Ca -0.05 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ctl h ILE 42 Cb 0.48 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2ctl h ILE 42 CO 0.08 0.15 -0.26 0.03 0.00 0.00 0.00 178.15 178.15 2ctl h ARG 43 N 0.82 -0.56 -0.66 2.37 3.08 -1.11 -1.45 114.38 116.87 2ctl h ARG 43 Ca 0.22 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2ctl h ARG 43 Cb -0.09 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2ctl h ARG 43 CO -0.05 -0.37 0.43 -0.07 -1.07 0.00 0.00 179.97 178.84 2ctl h LEU 44 N -0.58 0.77 0.21 3.04 3.38 -1.05 0.67 115.31 121.74 2ctl h LEU 44 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ctl h LEU 44 Cb 0.52 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2ctl h LEU 44 CO -0.04 0.57 -0.48 -0.08 0.09 0.00 0.00 178.44 178.50 2ctl h GLU 45 N 0.90 -0.75 -0.02 1.13 4.81 -0.66 -0.89 114.58 119.10 2ctl h GLU 45 Ca 0.24 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2ctl h GLU 45 Cb -0.09 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2ctl h GLU 45 CO -0.05 -0.50 0.00 0.72 -0.73 0.00 0.00 179.01 178.45 2ctl n HIS 46 N -5.50 0.02 -3.82 0.92 8.25 -0.57 -4.91 115.22 109.61 2ctl n HIS 46 Ca -0.09 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 2ctl n HIS 46 Cb 0.41 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.64 -0.74 -4.32 0.41 9.92 0.20 -4.81 116.55 116.57 2ctl n ASP 47 Ca 0.20 -0.91 -0.20 0.00 -0.53 0.00 0.00 54.79 53.35 2ctl n ASP 47 Cb 0.16 -3.59 -0.10 0.00 -0.64 0.00 0.00 41.12 36.94 2ctl n ASP 47 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ctl s VAL 48 N -3.81 0.82 -0.18 2.53 -7.23 0.37 -4.83 120.40 108.08 2ctl s VAL 48 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2ctl s VAL 48 Cb -0.00 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2ctl s VAL 48 CO 0.85 0.00 -0.11 0.21 -0.31 0.00 0.00 175.10 175.74 2ctl s ASN 49 N -3.44 3.94 0.03 4.85 3.84 -0.54 -4.50 114.94 119.12 2ctl s ASN 49 Ca 0.35 -0.42 0.08 0.00 0.21 0.00 0.00 52.86 53.08 2ctl s ASN 49 Cb 0.07 -1.63 -0.03 0.00 -0.55 0.00 0.00 41.25 39.11 2ctl s ASN 49 CO 0.15 0.06 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.65 2ctl s ILE 50 N 0.99 2.36 -0.02 -5.21 1.01 -1.26 -0.32 121.20 118.74 2ctl s ILE 50 Ca -0.01 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 2ctl s ILE 50 Cb -0.15 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2ctl s ILE 50 CO -0.01 0.40 0.30 -1.58 0.00 0.00 0.00 174.94 174.05 2ctl s GLN 51 N -1.19 0.64 0.13 2.79 0.74 -0.67 -5.03 119.66 117.07 2ctl s GLN 51 Ca 0.12 -0.15 0.08 0.00 0.05 0.00 0.00 55.36 55.47 2ctl s GLN 51 Cb -0.10 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 2ctl s GLN 51 CO 0.02 -0.17 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.41 2ctl s PHE 52 N -1.20 2.64 0.83 1.67 0.08 -1.26 -2.70 117.98 118.03 2ctl s PHE 52 Ca -0.12 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 2ctl s PHE 52 Cb -0.05 -1.37 0.09 0.00 -0.57 0.00 0.00 43.02 41.12 2ctl s PHE 52 CO 0.04 0.43 1.09 -1.25 -0.10 0.00 0.00 175.22 175.43 2ctl s PRO 53 N -2.33 1.80 -0.24 0.24 0.04 -1.26 -5.01 135.00 128.24 2ctl s PRO 53 Ca 0.21 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 2ctl s PRO 53 Cb -0.10 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2ctl s PRO 53 CO 0.13 -1.92 0.02 0.34 0.04 0.00 0.00 177.00 175.61 2ctl s ASP 54 N -3.40 4.77 0.23 6.66 2.15 -1.26 -4.97 116.67 120.85 2ctl s ASP 54 Ca 0.62 -0.31 -0.06 0.00 0.43 0.00 0.00 52.55 53.23 2ctl s ASP 54 Cb -0.18 -1.84 0.41 0.00 -0.30 0.00 0.00 42.92 41.01 2ctl s ASP 54 CO 0.56 -0.04 1.73 0.11 -0.17 0.00 0.00 175.17 177.37 2ctl h LYS 55 N 8.18 0.43 -0.91 4.34 1.57 -1.96 -0.46 116.57 127.76 2ctl h LYS 55 Ca -0.39 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 58.56 2ctl h LYS 55 Cb 1.17 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.26 2ctl h LYS 55 CO 0.59 0.28 0.46 0.22 -0.57 0.00 0.00 179.45 180.43 2ctl h ASP 56 N 0.44 0.48 0.01 0.86 1.82 -1.99 -2.66 116.42 115.36 2ctl h ASP 56 Ca 0.38 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 2ctl h ASP 56 Cb 0.55 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 2ctl h ASP 56 CO -0.38 0.10 -0.04 -0.78 -1.61 0.00 0.00 179.24 176.53 2ctl h ASP 57 N 0.52 -0.11 0.00 2.28 1.82 -1.47 -3.47 116.42 115.99 2ctl h ASP 57 Ca 0.55 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 2ctl h ASP 57 Cb 0.97 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2ctl h ASP 57 CO -0.47 -0.04 0.00 0.61 -1.61 0.00 0.00 179.24 177.74 2ctl n GLY 58 N -1.03 1.14 0.42 -0.78 0.00 -1.01 -4.70 105.19 99.23 2ctl n GLY 58 Ca -0.01 -0.66 0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 3.41 0.12 -4.82 1.61 4.13 -1.26 -4.24 115.26 114.20 2ctl n ASN 59 Ca 0.00 0.99 -0.34 0.00 1.68 0.00 0.00 54.58 56.91 2ctl n ASN 59 Cb 0.00 -0.49 -0.07 0.00 -1.54 0.00 0.00 39.78 37.69 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 -4.75 4.22 0.08 3.52 -0.21 -1.26 -5.02 119.66 116.25 2ctl s GLN 60 Ca -0.05 0.99 -0.31 0.00 0.02 0.00 0.00 55.36 56.01 2ctl s GLN 60 Cb 0.23 -2.43 -0.07 0.00 1.00 0.00 0.00 33.01 31.74 2ctl s GLN 60 CO 0.65 0.12 1.39 -1.25 -2.12 0.00 0.00 175.29 174.08 2ctl s PRO 61 N -2.81 4.32 0.11 2.91 0.04 -1.26 -4.92 135.00 133.38 2ctl s PRO 61 Ca 0.56 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.86 2ctl s PRO 61 Cb -0.12 -3.35 0.17 0.00 0.04 0.00 0.00 34.50 31.24 2ctl s PRO 61 CO 0.17 -0.47 1.15 1.04 0.04 0.00 0.00 177.00 178.93 2ctl n GLN 62 N 4.34 0.35 0.00 4.56 1.13 -1.26 -3.78 117.38 122.73 2ctl n GLN 62 Ca 0.12 0.06 0.12 0.00 -1.94 0.00 0.00 57.00 55.35 2ctl n GLN 62 Cb 0.43 -1.67 0.12 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.16 2.07 -4.77 1.08 5.68 -1.26 -3.89 116.55 113.30 2ctl n ASP 63 Ca 0.02 -1.54 -0.36 0.00 -0.50 0.00 0.00 54.79 52.42 2ctl n ASP 63 Cb 0.46 0.28 -0.07 0.00 -1.14 0.00 0.00 41.12 40.64 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 -2.33 4.01 -0.32 0.11 -1.52 -1.25 -0.10 119.66 118.27 2ctl s GLN 64 Ca 0.23 -0.14 -0.03 0.00 -1.95 0.00 0.00 55.36 53.47 2ctl s GLN 64 Cb 0.19 -3.36 0.05 0.00 -0.22 0.00 0.00 33.01 29.67 2ctl s GLN 64 CO 0.48 0.42 0.04 0.42 -0.25 0.00 0.00 175.29 176.40 2ctl s ILE 65 N 0.00 3.28 0.07 1.08 1.01 -0.55 -4.18 121.20 121.92 2ctl s ILE 65 Ca 0.11 -1.30 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 2ctl s ILE 65 Cb -0.12 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 2ctl s ILE 65 CO 0.01 -0.14 1.03 -0.89 0.00 0.00 0.00 174.94 174.94 2ctl s THR 66 N 1.31 4.48 -0.04 2.92 2.01 -1.10 -1.38 115.64 123.84 2ctl s THR 66 Ca -0.04 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 63.86 2ctl s THR 66 Cb -0.20 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2ctl s THR 66 CO 0.00 0.21 0.00 -0.63 -0.69 0.00 0.00 174.62 173.52 2ctl s ILE 67 N 0.57 0.20 0.12 1.82 1.01 0.35 -1.67 121.20 123.61 2ctl s ILE 67 Ca 0.51 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.32 2ctl s ILE 67 Cb -0.24 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2ctl s ILE 67 CO 0.30 0.17 0.11 -0.89 0.00 0.00 0.00 174.94 174.63 2ctl s THR 68 N 1.28 4.51 -4.58 2.92 2.01 0.56 -0.33 115.64 122.02 2ctl s THR 68 Ca -0.06 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2ctl s THR 68 Cb -0.13 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2ctl s THR 68 CO -0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2ctl n GLY 69 N 0.03 1.01 3.68 4.40 0.00 -1.12 -1.46 105.19 111.72 2ctl n GLY 69 Ca -0.08 -1.98 -0.45 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 -0.60 2.44 -0.49 1.61 4.01 -1.25 -4.04 117.16 118.84 2ctl n TYR 70 Ca 0.00 -0.08 0.38 0.00 -0.16 0.00 0.00 57.90 58.04 2ctl n TYR 70 Cb 0.00 -2.70 0.60 0.00 -0.31 0.00 0.00 39.34 36.93 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 6.07 -0.01 0.04 -0.72 2.13 -1.24 -0.27 120.64 126.64 2ctl n GLU 71 Ca 0.20 0.88 -0.02 0.00 0.66 0.00 0.00 57.16 58.88 2ctl n GLU 71 Cb 0.34 -1.93 -0.01 0.00 0.27 0.00 0.00 31.44 30.11 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 -0.13 -0.69 5.31 1.79 -1.93 -3.07 116.57 117.85 2ctl h LYS 72 Ca 0.71 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.34 2ctl h LYS 72 Cb 2.69 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 33.27 2ctl h LYS 72 CO -0.13 -0.09 0.16 -0.91 -1.08 0.00 0.00 179.45 177.40 2ctl h ASN 73 N -0.48 0.00 -0.65 0.86 4.21 -0.95 -0.38 115.58 118.19 2ctl h ASN 73 Ca -0.01 0.14 0.12 0.00 1.21 0.00 0.00 56.30 57.75 2ctl h ASN 73 Cb 0.10 0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.40 2ctl h ASN 73 CO 0.02 -0.02 0.19 0.71 -1.29 0.00 0.00 177.43 177.04 2ctl h THR 74 N 0.27 0.65 -0.45 2.81 1.35 -0.83 0.13 112.91 116.83 2ctl h THR 74 Ca 0.38 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 66.09 2ctl h THR 74 Cb 0.62 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 2ctl h THR 74 CO -0.48 0.06 0.10 -0.33 -0.25 0.00 0.00 175.52 174.62 2ctl h GLU 75 N 0.32 0.69 -0.33 4.72 4.39 -0.99 0.32 114.58 123.70 2ctl h GLU 75 Ca 0.35 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.79 2ctl h GLU 75 Cb 0.52 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2ctl h GLU 75 CO -0.40 0.64 -0.28 0.00 -1.16 0.00 0.00 179.01 177.80 2ctl h ALA 76 N 1.44 0.49 -0.06 3.43 0.00 -0.28 -2.12 119.26 122.15 2ctl h ALA 76 Ca 0.15 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 2ctl h ALA 76 Cb 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ctl h ALA 76 CO -0.00 0.51 -0.88 0.00 0.00 0.00 0.00 179.25 178.87 2ctl h ALA 77 N 0.75 0.33 0.00 0.00 0.00 -0.56 -3.14 119.26 116.64 2ctl h ALA 77 Ca 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2ctl h ALA 77 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2ctl h ALA 77 CO 0.07 0.74 -0.18 0.07 0.00 0.00 0.00 179.25 179.95 2ctl h ARG 78 N 0.37 0.00 0.00 0.00 -0.00 -0.37 -2.38 114.38 112.00 2ctl h ARG 78 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.85 2ctl h ARG 78 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.47 2ctl h ARG 78 CO 0.17 0.18 -0.27 0.22 -0.00 0.00 0.00 179.97 180.26 2ctl h ASP 79 N 0.00 0.00 0.33 0.08 3.58 -1.32 -3.14 116.42 115.95 2ctl h ASP 79 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2ctl h ASP 79 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2ctl h ASP 79 CO 0.02 0.27 -0.16 0.00 -2.88 0.00 0.00 179.24 176.50 2ctl h ALA 80 N 1.73 -0.45 -1.33 -0.78 0.00 -1.52 -1.27 119.26 115.64 2ctl h ALA 80 Ca -0.00 -0.19 0.44 0.00 0.00 0.00 0.00 54.91 55.16 2ctl h ALA 80 Cb 0.50 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 2ctl h ALA 80 CO 0.04 -0.54 0.85 0.82 0.00 0.00 0.00 179.25 180.42 2ctl h ILE 81 N -0.88 0.10 0.00 0.00 2.04 -1.60 0.44 117.51 117.61 2ctl h ILE 81 Ca -0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ctl h ILE 81 Cb 0.53 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2ctl h ILE 81 CO 0.08 0.01 -0.09 -0.07 0.00 0.00 0.00 178.15 178.08 2ctl h LEU 82 N 0.07 0.00 -0.98 1.44 3.38 -1.57 -3.20 115.31 114.45 2ctl h LEU 82 Ca 0.83 -0.53 0.21 0.00 0.09 0.00 0.00 57.88 58.48 2ctl h LEU 82 Cb 2.62 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 43.18 2ctl h LEU 82 CO -0.44 0.81 -0.19 -1.14 0.09 0.00 0.00 178.44 177.58 2ctl n ARG 83 N -4.67 -0.09 0.25 1.13 0.63 0.05 -0.32 116.66 113.64 2ctl n ARG 83 Ca -0.07 1.52 -0.16 0.00 -0.92 0.00 0.00 57.85 58.22 2ctl n ARG 83 Cb 0.29 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 30.82 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 0.58 -0.62 5.15 2.04 -1.44 -3.21 117.51 120.01 2ctl h ILE 84 Ca 0.50 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.34 2ctl h ILE 84 Cb 0.82 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2ctl h ILE 84 CO -0.99 0.01 -0.45 0.58 0.00 0.00 0.00 178.15 177.30 2ctl h VAL 85 N -0.63 0.00 -1.17 1.67 2.07 -0.66 0.40 116.25 117.93 2ctl h VAL 85 Ca -0.06 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.85 2ctl h VAL 85 Cb 0.47 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 2ctl h VAL 85 CO 0.10 0.00 0.77 0.61 0.02 0.00 0.00 177.57 179.07 2ctl n GLY 86 N -1.23 -0.68 0.06 2.17 0.00 -0.80 -0.44 105.19 104.28 2ctl n GLY 86 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 -0.87 1.61 4.39 -0.35 -3.37 114.58 116.00 2ctl h GLU 87 Ca 0.69 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.67 2ctl h GLU 87 Cb 2.36 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.85 2ctl h GLU 87 CO -0.29 0.16 0.14 1.28 -1.16 0.00 0.00 179.01 179.15 2ctl n LEU 88 N -4.67 0.01 -0.10 1.33 4.77 0.42 0.85 117.00 119.60 2ctl n LEU 88 Ca -0.06 1.46 -0.06 0.00 -0.03 0.00 0.00 56.01 57.32 2ctl n LEU 88 Cb 0.20 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2ctl n LEU 88 CO 0.09 -1.53 0.72 -0.08 -1.33 0.00 0.00 177.39 175.26 2ctl h GLU 89 N 0.00 -0.14 -0.47 3.23 4.22 -1.44 -1.53 114.58 118.46 2ctl h GLU 89 Ca 0.58 0.01 0.08 0.00 0.08 0.00 0.00 59.36 60.12 2ctl h GLU 89 Cb 1.33 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2ctl h GLU 89 CO -0.77 -0.09 0.07 0.37 -2.18 0.00 0.00 179.01 176.40 2ctl h GLN 90 N -0.15 0.19 -6.44 1.92 4.15 0.30 -3.36 115.11 111.73 2ctl h GLN 90 Ca 0.18 -0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.99 2ctl h GLN 90 Cb 0.43 -0.04 0.05 0.00 0.21 0.00 0.00 27.48 28.13 2ctl h GLN 90 CO -0.46 0.13 0.76 -1.33 -1.93 0.00 0.00 178.83 176.00 2ctl n MET 91 N -5.14 1.95 -3.90 1.69 2.81 -0.58 -1.45 117.12 112.51 2ctl n MET 91 Ca 0.05 0.70 -0.27 0.00 -1.81 0.00 0.00 57.70 56.37 2ctl n MET 91 Cb 0.23 -2.45 0.01 0.00 -0.71 0.00 0.00 33.22 30.30 2ctl n MET 91 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ctl n SER 92 N 3.51 -2.61 -3.44 7.83 2.88 -1.26 -4.97 113.62 115.55 2ctl n SER 92 Ca 0.18 -0.87 -0.18 0.00 -1.33 0.00 0.00 58.87 56.67 2ctl n SER 92 Cb 0.27 -3.62 -0.04 0.00 -0.75 0.00 0.00 64.21 60.06 2ctl n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctl n GLY 93 N -1.68 3.78 3.71 0.46 0.00 -0.53 -5.11 105.19 105.82 2ctl n GLY 93 Ca -0.13 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.05 1.02 -0.60 1.61 0.04 -1.26 -4.86 135.00 127.90 2ctl s PRO 94 Ca 0.02 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 2ctl s PRO 94 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2ctl s PRO 94 CO 0.02 -2.38 2.36 0.45 0.04 0.00 0.00 177.00 177.48 2ctl s SER 95 N -3.42 4.34 0.04 6.66 0.15 -1.26 -4.93 113.70 115.28 2ctl s SER 95 Ca 0.64 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.99 2ctl s SER 95 Cb -0.18 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2ctl s SER 95 CO 0.57 -3.15 0.06 -0.44 1.20 0.00 0.00 173.24 171.49 2ctl s SER 96 N 11.45 5.48 0.00 5.45 0.01 -1.26 -5.28 113.70 129.55 2ctl s SER 96 Ca 0.93 0.02 0.25 0.00 1.31 0.00 0.00 55.95 58.47 2ctl s SER 96 Cb -0.15 -1.49 0.41 0.00 0.21 0.00 0.00 66.02 65.01 2ctl s SER 96 CO 0.20 0.22 1.39 0.61 0.41 0.00 0.00 173.24 176.06