#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwe n SER 4 N 0.00 0.00 0.01 1.61 7.64 -1.26 0.60 113.62 122.22 1cwe n SER 4 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1cwe n SER 4 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1cwe n SER 4 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1cwe n TRP 5 N 0.00 0.19 -3.32 1.43 4.27 -1.26 -4.90 117.44 113.85 1cwe n TRP 5 Ca 0.00 0.06 -0.38 0.00 -3.89 0.00 0.00 57.50 53.29 1cwe n TRP 5 Cb 0.00 -0.60 -0.06 0.00 -1.36 0.00 0.00 31.31 29.28 1cwe n TRP 5 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1cwe s PHE 6 N -3.46 3.48 -0.03 -2.67 5.36 0.20 -0.35 117.98 120.51 1cwe s PHE 6 Ca -0.07 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 1cwe s PHE 6 Cb 0.13 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 1cwe s PHE 6 CO 0.88 0.12 -0.07 -0.06 -1.46 0.00 0.00 175.22 174.63 1cwe s PHE 7 N 0.81 0.82 0.03 10.12 0.40 0.49 -2.50 117.98 128.15 1cwe s PHE 7 Ca 0.25 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1cwe s PHE 7 Cb -0.15 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1cwe s PHE 7 CO 0.10 -0.12 0.04 0.15 0.70 0.00 0.00 175.22 176.09 1cwe s LYS 8 N 0.38 2.85 -1.03 0.44 1.02 -1.26 0.22 119.74 122.36 1cwe s LYS 8 Ca -0.05 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1cwe s LYS 8 Cb -0.10 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1cwe s LYS 8 CO 0.00 0.61 0.87 0.09 -0.92 0.00 0.00 175.35 176.00 1cwe n ASN 9 N 1.01 -3.12 -3.75 2.83 3.02 -1.04 -4.88 115.26 109.32 1cwe n ASN 9 Ca -0.12 -0.57 -0.27 0.00 -0.03 0.00 0.00 54.58 53.59 1cwe n ASN 9 Cb 0.52 -4.63 -0.17 0.00 -0.61 0.00 0.00 39.78 34.90 1cwe n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1cwe s LEU 10 N -5.67 1.11 1.11 3.41 2.96 -1.26 -5.03 118.68 115.31 1cwe s LEU 10 Ca 0.11 -0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 53.14 1cwe s LEU 10 Cb -0.01 -0.59 0.25 0.00 0.50 0.00 0.00 46.19 46.34 1cwe s LEU 10 CO 0.65 -0.28 1.17 -0.94 -1.32 0.00 0.00 176.35 175.62 1cwe s SER 11 N 1.86 1.79 0.12 3.68 1.04 -1.26 -4.73 113.70 116.20 1cwe s SER 11 Ca 0.00 0.59 -0.22 0.00 0.48 0.00 0.00 55.95 56.79 1cwe s SER 11 Cb -0.16 -0.82 -0.05 0.00 0.10 0.00 0.00 66.02 65.09 1cwe s SER 11 CO -0.08 -3.58 1.68 -0.09 0.98 0.00 0.00 173.24 172.16 1cwe h ARG 12 N -2.21 -0.15 0.00 4.02 2.43 -2.00 -0.82 114.38 115.64 1cwe h ARG 12 Ca -0.46 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1cwe h ARG 12 Cb 1.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1cwe h ARG 12 CO 0.39 -0.10 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.34 1cwe h LYS 13 N -0.16 0.00 0.00 0.20 3.64 -1.99 -1.22 116.57 117.04 1cwe h LYS 13 Ca 0.07 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 1cwe h LYS 13 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1cwe h LYS 13 CO -0.18 0.18 -0.98 -0.44 -2.27 0.00 0.00 179.45 175.76 1cwe h ASP 14 N 0.00 0.01 -0.18 4.20 3.32 -1.55 -2.79 116.42 119.44 1cwe h ASP 14 Ca -0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1cwe h ASP 14 Cb 0.44 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1cwe h ASP 14 CO 0.02 0.99 -0.22 0.00 -1.72 0.00 0.00 179.24 178.31 1cwe h ALA 15 N 1.01 0.26 -0.43 3.45 0.00 -0.44 -2.66 119.26 120.46 1cwe h ALA 15 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1cwe h ALA 15 Cb 1.73 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1cwe h ALA 15 CO 0.13 0.21 0.11 0.93 0.00 0.00 0.00 179.25 180.63 1cwe h GLU 16 N 0.10 0.25 -0.77 0.00 5.08 -1.27 0.28 114.58 118.26 1cwe h GLU 16 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cwe h GLU 16 Cb 0.77 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1cwe h GLU 16 CO 0.05 0.17 0.43 0.00 -1.00 0.00 0.00 179.01 178.66 1cwe h ARG 17 N 0.26 1.07 -0.09 2.33 3.08 -1.55 0.31 114.38 119.78 1cwe h ARG 17 Ca 0.21 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1cwe h ARG 17 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1cwe h ARG 17 CO -0.25 0.77 -0.19 0.37 -1.07 0.00 0.00 179.97 179.61 1cwe h GLN 18 N 1.08 0.29 -0.42 0.04 4.15 -1.07 -3.28 115.11 115.90 1cwe h GLN 18 Ca 0.27 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1cwe h GLN 18 Cb 0.01 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1cwe h GLN 18 CO -0.05 0.79 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.57 1cwe h LEU 19 N -0.16 0.73 0.00 -2.39 3.38 0.26 -3.12 115.31 114.01 1cwe h LEU 19 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1cwe h LEU 19 Cb 0.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1cwe h LEU 19 CO 0.04 0.87 0.00 0.18 0.09 0.00 0.00 178.44 179.62 1cwe n LEU 20 N -4.41 0.00 -4.82 1.67 4.77 0.10 -4.58 117.00 109.73 1cwe n LEU 20 Ca -0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1cwe n LEU 20 Cb 0.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1cwe n LEU 20 CO 0.41 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.18 1cwe s ALA 21 N -2.00 2.82 0.12 -1.18 0.00 -1.18 -4.96 121.76 115.38 1cwe s ALA 21 Ca 0.18 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1cwe s ALA 21 Cb 0.08 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.11 1cwe s ALA 21 CO 0.14 -0.85 0.88 -2.30 0.00 0.00 0.00 175.76 173.64 1cwe n PRO 22 N -2.46 -0.17 0.00 0.00 -0.02 -1.26 -2.50 135.00 128.59 1cwe n PRO 22 Ca 0.08 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.57 1cwe n PRO 22 Cb 0.53 -1.29 0.82 0.00 -0.02 0.00 0.00 33.50 33.54 1cwe n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwe n GLY 23 N -1.23 -1.00 3.89 -1.23 0.00 -1.26 -4.86 105.19 99.50 1cwe n GLY 23 Ca 0.04 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1cwe n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cwe s ASN 24 N -2.18 6.47 0.38 1.61 0.01 -1.04 -5.09 114.94 115.10 1cwe s ASN 24 Ca 0.38 1.02 0.05 0.00 -0.71 0.00 0.00 52.86 53.60 1cwe s ASN 24 Cb 0.20 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.56 1cwe s ASN 24 CO 0.36 -0.38 0.18 0.35 -1.51 0.00 0.00 177.10 176.11 1cwe n THR 25 N -1.34 0.00 -1.92 1.60 -2.24 -1.26 -4.95 114.28 104.17 1cwe n THR 25 Ca 0.01 -2.33 -0.40 0.00 -2.27 0.00 0.00 64.05 59.07 1cwe n THR 25 Cb 0.54 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1cwe n THR 25 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1cwe s HIS 26 N -3.12 2.67 0.00 4.78 3.76 -1.26 -1.49 115.29 120.63 1cwe s HIS 26 Ca 0.25 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1cwe s HIS 26 Cb 0.01 -3.83 0.00 0.00 1.11 0.00 0.00 32.58 29.88 1cwe s HIS 26 CO 0.18 -2.53 0.00 0.41 -0.85 0.00 0.00 174.74 171.95 1cwe n GLY 27 N 0.61 2.75 3.74 -2.22 0.00 -0.11 -4.70 105.19 105.26 1cwe n GLY 27 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1cwe n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cwe s SER 28 N -1.51 6.47 0.32 1.61 0.01 -0.55 -0.49 113.70 119.55 1cwe s SER 28 Ca 0.00 2.82 0.01 0.00 1.31 0.00 0.00 55.95 60.09 1cwe s SER 28 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1cwe s SER 28 CO 0.00 -0.86 0.38 0.72 0.41 0.00 0.00 173.24 173.89 1cwe s PHE 29 N 0.37 1.29 -0.14 2.43 -0.71 -1.26 -0.26 117.98 119.71 1cwe s PHE 29 Ca 0.65 -1.41 -0.29 0.00 -1.04 0.00 0.00 56.93 54.84 1cwe s PHE 29 Cb -0.46 -0.34 0.08 0.00 -1.21 0.00 0.00 43.02 41.10 1cwe s PHE 29 CO 0.42 -1.00 0.78 -0.48 -1.34 0.00 0.00 175.22 173.60 1cwe s LEU 30 N -3.27 -0.61 -0.19 -1.99 0.05 -0.40 -4.84 118.68 107.44 1cwe s LEU 30 Ca 0.35 0.83 -0.08 0.00 0.05 0.00 0.00 54.13 55.28 1cwe s LEU 30 Cb 0.01 2.34 -0.04 0.00 -2.05 0.00 0.00 46.19 46.46 1cwe s LEU 30 CO 0.22 -0.44 0.07 -0.63 -0.55 0.00 0.00 176.35 175.01 1cwe s ILE 31 N -0.71 4.79 0.03 1.48 -1.09 0.52 -0.71 121.20 125.51 1cwe s ILE 31 Ca -0.06 -0.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.41 1cwe s ILE 31 Cb -0.02 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 1cwe s ILE 31 CO 0.05 0.45 -0.24 0.00 -1.23 0.00 0.00 174.94 173.98 1cwe s ARG 32 N 0.45 1.67 -0.11 2.79 1.70 -0.21 -0.38 118.95 124.86 1cwe s ARG 32 Ca 0.03 -0.98 -0.09 0.00 -0.47 0.00 0.00 55.73 54.22 1cwe s ARG 32 Cb -0.13 -1.77 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 1cwe s ARG 32 CO 0.00 0.46 0.20 -2.00 -1.08 0.00 0.00 175.30 172.89 1cwe s GLU 33 N -1.04 3.64 0.33 3.89 2.12 0.13 -1.54 118.70 126.23 1cwe s GLU 33 Ca 0.10 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 1cwe s GLU 33 Cb -0.09 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.96 1cwe s GLU 33 CO 0.01 0.69 1.43 0.45 -0.54 0.00 0.00 175.26 177.30 1cwe s SER 34 N -0.84 6.55 -0.11 -1.70 0.15 -0.68 -2.51 113.70 114.56 1cwe s SER 34 Ca 0.16 2.84 -0.22 0.00 0.70 0.00 0.00 55.95 59.43 1cwe s SER 34 Cb -0.13 -2.65 -0.27 0.00 -1.71 0.00 0.00 66.02 61.26 1cwe s SER 34 CO 0.05 -0.73 0.67 -0.08 1.20 0.00 0.00 173.24 174.35 1cwe h GLU 35 N 3.75 0.17 0.00 5.44 4.81 -1.91 -3.35 114.58 123.48 1cwe h GLU 35 Ca -0.49 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1cwe h GLU 35 Cb 1.23 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1cwe h GLU 35 CO 0.69 1.14 0.00 -1.13 -0.73 0.00 0.00 179.01 178.98 1cwe n SER 36 N -4.23 0.01 -3.41 1.04 3.41 -1.26 -4.47 113.62 104.71 1cwe n SER 36 Ca -0.19 0.50 -0.20 0.00 -0.26 0.00 0.00 58.87 58.73 1cwe n SER 36 Cb 0.74 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 1cwe n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cwe s THR 37 N -3.00 -0.29 0.44 6.66 2.01 -1.26 -5.13 115.64 115.07 1cwe s THR 37 Ca 0.11 -0.79 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 1cwe s THR 37 Cb 0.14 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 1cwe s THR 37 CO 0.40 -0.59 1.22 0.00 -0.69 0.00 0.00 174.62 174.97 1cwe s ALA 38 N 1.93 3.08 0.00 7.40 0.00 -1.25 -2.87 121.76 130.04 1cwe s ALA 38 Ca 0.12 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1cwe s ALA 38 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1cwe s ALA 38 CO -0.21 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1cwe n GLY 39 N 0.58 0.59 3.16 0.00 0.00 -1.26 -4.99 105.19 103.27 1cwe n GLY 39 Ca 0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1cwe n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cwe s SER 40 N -2.08 4.83 0.25 1.61 0.15 -1.14 -4.93 113.70 112.39 1cwe s SER 40 Ca 0.00 -1.29 0.07 0.00 0.70 0.00 0.00 55.95 55.43 1cwe s SER 40 Cb 0.00 -1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1cwe s SER 40 CO 0.00 -0.25 0.15 -0.36 1.20 0.00 0.00 173.24 173.98 1cwe s PHE 41 N 1.23 3.03 -0.01 3.44 0.08 -1.26 -1.69 117.98 122.79 1cwe s PHE 41 Ca -0.06 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1cwe s PHE 41 Cb -0.20 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1cwe s PHE 41 CO -0.02 0.54 0.00 -1.12 -0.10 0.00 0.00 175.22 174.53 1cwe s SER 42 N -3.77 0.19 -0.14 1.36 0.01 -0.59 -1.47 113.70 109.30 1cwe s SER 42 Ca 0.32 -0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.42 1cwe s SER 42 Cb -0.08 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1cwe s SER 42 CO 0.24 -0.06 0.37 -0.22 0.41 0.00 0.00 173.24 173.98 1cwe s LEU 43 N 0.57 4.27 -0.15 2.44 2.96 0.73 -1.05 118.68 128.44 1cwe s LEU 43 Ca -0.05 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1cwe s LEU 43 Cb -0.08 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.12 1cwe s LEU 43 CO -0.01 0.07 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.46 1cwe s SER 44 N 0.45 2.94 -0.00 3.68 0.01 0.11 -0.63 113.70 120.26 1cwe s SER 44 Ca 0.21 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.97 1cwe s SER 44 Cb -0.14 -1.36 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1cwe s SER 44 CO 0.07 0.01 -0.25 -0.69 0.41 0.00 0.00 173.24 172.80 1cwe s VAL 45 N 1.15 1.95 -0.06 3.43 1.01 0.65 -1.27 120.40 127.26 1cwe s VAL 45 Ca -0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 1cwe s VAL 45 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1cwe s VAL 45 CO -0.08 0.49 0.80 -0.60 0.00 0.00 0.00 175.10 175.71 1cwe s ARG 46 N -0.73 4.46 0.00 2.72 3.52 0.65 0.66 118.95 130.22 1cwe s ARG 46 Ca 0.10 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1cwe s ARG 46 Cb -0.09 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1cwe s ARG 46 CO -0.00 -0.02 0.00 -3.47 -0.81 0.00 0.00 175.30 171.00 1cwe n ASP 47 N 4.00 0.00 -4.05 -2.12 2.03 0.44 -0.94 116.55 115.91 1cwe n ASP 47 Ca 0.02 -0.84 -0.24 0.00 0.52 0.00 0.00 54.79 54.24 1cwe n ASP 47 Cb 0.51 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.75 1cwe n ASP 47 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1cwe s PHE 48 N -2.99 1.47 -0.15 -0.67 2.19 -1.26 -1.37 117.98 115.21 1cwe s PHE 48 Ca 0.00 -0.49 -0.00 0.00 0.33 0.00 0.00 56.93 56.77 1cwe s PHE 48 Cb 0.00 -1.05 -0.01 0.00 -1.31 0.00 0.00 43.02 40.66 1cwe s PHE 48 CO 0.00 -0.22 -0.13 0.34 1.83 0.00 0.00 175.22 177.04 1cwe s ASP 49 N 0.42 3.92 0.59 6.13 2.15 -0.27 -4.94 116.67 124.68 1cwe s ASP 49 Ca -0.10 -0.38 0.29 0.00 0.43 0.00 0.00 52.55 52.78 1cwe s ASP 49 Cb -0.14 -1.61 1.61 0.00 -0.30 0.00 0.00 42.92 42.48 1cwe s ASP 49 CO 0.03 0.12 2.04 -0.61 -0.17 0.00 0.00 175.17 176.58 1cwe h GLN 50 N 7.05 0.00 0.02 4.34 5.75 -2.00 0.23 115.11 130.50 1cwe h GLN 50 Ca -0.30 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 57.86 1cwe h GLN 50 Cb 1.20 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.70 1cwe h GLN 50 CO 0.57 0.00 -1.94 0.09 -2.65 0.00 0.00 178.83 174.89 1cwe n ASN 51 N -3.77 1.96 0.06 -0.69 3.02 -1.26 -4.63 115.26 109.95 1cwe n ASN 51 Ca 0.03 0.29 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 1cwe n ASN 51 Cb 0.42 -0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 1cwe n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwe n GLN 52 N -4.05 0.61 0.00 3.52 1.13 -1.03 -5.07 117.38 112.48 1cwe n GLN 52 Ca -0.41 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 1cwe n GLN 52 Cb 0.85 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1cwe n GLN 52 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cwe n GLY 53 N 1.21 -0.20 3.64 1.08 0.00 0.78 -4.87 105.19 106.83 1cwe n GLY 53 Ca -0.01 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1cwe n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cwe n GLU 54 N 0.00 2.53 -4.64 1.61 -0.58 -1.26 -1.11 120.64 117.18 1cwe n GLU 54 Ca 0.00 0.85 -0.29 0.00 -0.42 0.00 0.00 57.16 57.30 1cwe n GLU 54 Cb 0.00 -3.11 -0.09 0.00 -0.57 0.00 0.00 31.44 27.67 1cwe n GLU 54 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1cwe s VAL 55 N 6.00 1.46 -0.11 2.62 -7.23 -0.47 -4.95 120.40 117.72 1cwe s VAL 55 Ca 0.94 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1cwe s VAL 55 Cb -0.39 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 33.96 1cwe s VAL 55 CO 0.39 0.00 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.38 1cwe s VAL 56 N -2.89 1.24 -0.12 1.32 1.01 -1.26 -0.42 120.40 119.28 1cwe s VAL 56 Ca 0.23 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1cwe s VAL 56 Cb 0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1cwe s VAL 56 CO 0.12 0.40 0.10 -0.54 0.00 0.00 0.00 175.10 175.18 1cwe s LYS 57 N 1.34 3.43 -0.20 2.72 1.02 0.21 -4.91 119.74 123.35 1cwe s LYS 57 Ca -0.01 -0.21 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 1cwe s LYS 57 Cb -0.14 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1cwe s LYS 57 CO -0.05 0.69 -0.06 -1.01 -0.92 0.00 0.00 175.35 174.00 1cwe s HIS 58 N -0.80 2.93 -0.12 3.18 3.76 -1.26 -0.25 115.29 122.72 1cwe s HIS 58 Ca 0.13 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.16 1cwe s HIS 58 Cb -0.12 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 1cwe s HIS 58 CO 0.03 -0.48 -0.18 0.71 -0.85 0.00 0.00 174.74 173.97 1cwe s TYR 59 N 1.24 2.71 0.02 1.40 1.51 0.20 -4.97 117.35 119.46 1cwe s TYR 59 Ca 0.03 -0.86 -0.30 0.00 -1.01 0.00 0.00 57.07 54.92 1cwe s TYR 59 Cb -0.14 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1cwe s TYR 59 CO -0.02 -0.33 1.32 0.15 -1.11 0.00 0.00 175.55 175.56 1cwe s LYS 60 N 0.41 4.33 -0.24 -0.62 -0.14 -1.26 -0.19 119.74 122.03 1cwe s LYS 60 Ca -0.13 1.89 -0.21 0.00 -1.36 0.00 0.00 55.97 56.16 1cwe s LYS 60 Cb -0.17 -3.47 -0.02 0.00 -1.68 0.00 0.00 37.83 32.49 1cwe s LYS 60 CO 0.06 -0.47 0.66 0.42 -0.76 0.00 0.00 175.35 175.26 1cwe s ILE 61 N 1.90 4.97 0.28 2.17 1.01 -0.54 -4.66 121.20 126.32 1cwe s ILE 61 Ca 0.61 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 62.28 1cwe s ILE 61 Cb -0.31 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1cwe s ILE 61 CO 0.27 0.04 0.77 -0.13 0.00 0.00 0.00 174.94 175.88 1cwe s ARG 62 N 2.39 4.22 -0.12 2.79 1.81 0.45 -4.44 118.95 126.04 1cwe s ARG 62 Ca 0.28 0.88 -0.12 0.00 -1.72 0.00 0.00 55.73 55.05 1cwe s ARG 62 Cb -0.16 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.61 1cwe s ARG 62 CO 0.09 0.28 0.26 -0.80 -0.68 0.00 0.00 175.30 174.45 1cwe s ASN 63 N -1.86 6.47 0.17 0.23 0.02 -1.26 -2.03 114.94 116.68 1cwe s ASN 63 Ca 0.48 0.56 -0.14 0.00 -1.02 0.00 0.00 52.86 52.74 1cwe s ASN 63 Cb -0.14 -2.16 -0.07 0.00 0.02 0.00 0.00 41.25 38.90 1cwe s ASN 63 CO 0.20 0.23 0.57 -0.76 0.02 0.00 0.00 177.10 177.36 1cwe s LEU 64 N -0.23 4.31 0.52 0.60 1.43 0.20 -4.97 118.68 120.55 1cwe s LEU 64 Ca 0.17 1.09 0.20 0.00 -1.03 0.00 0.00 54.13 54.56 1cwe s LEU 64 Cb -0.13 -3.36 1.31 0.00 0.03 0.00 0.00 46.19 44.04 1cwe s LEU 64 CO 0.05 0.07 2.09 0.44 0.23 0.00 0.00 176.35 179.23 1cwe h ASP 65 N 3.41 0.01 -0.10 2.29 3.32 -1.98 -1.16 116.42 122.20 1cwe h ASP 65 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cwe h ASP 65 Cb 1.19 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1cwe h ASP 65 CO 0.66 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.73 1cwe n ASN 66 N -4.47 0.76 0.00 6.45 0.23 -1.26 -4.90 115.26 112.07 1cwe n ASN 66 Ca 0.02 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 1cwe n ASN 66 Cb 0.30 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1cwe n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cwe n GLY 67 N 0.87 2.54 3.44 4.83 0.00 -0.44 -5.08 105.19 111.35 1cwe n GLY 67 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1cwe n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwe n GLY 68 N -1.65 -1.50 3.44 -0.02 0.00 -1.25 -4.74 105.19 99.47 1cwe n GLY 68 Ca 0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1cwe n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cwe s PHE 69 N -3.58 1.75 -0.26 1.61 0.08 0.70 0.60 117.98 118.87 1cwe s PHE 69 Ca 0.67 -1.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.15 1cwe s PHE 69 Cb -0.02 -1.05 0.17 0.00 -0.57 0.00 0.00 43.02 41.55 1cwe s PHE 69 CO 0.47 -0.37 1.27 1.52 -0.10 0.00 0.00 175.22 178.02 1cwe s TYR 70 N -3.36 -0.16 -0.26 0.36 1.13 -0.86 -0.57 117.35 113.63 1cwe s TYR 70 Ca 0.30 0.33 0.01 0.00 -1.41 0.00 0.00 57.07 56.30 1cwe s TYR 70 Cb 0.04 0.47 -0.17 0.00 -1.10 0.00 0.00 41.96 41.20 1cwe s TYR 70 CO 0.16 -0.12 -0.23 -0.89 -2.51 0.00 0.00 175.55 171.96 1cwe n ILE 71 N 1.07 1.48 -4.92 -3.49 5.41 -1.26 -0.42 119.36 117.23 1cwe n ILE 71 Ca -0.07 -0.56 -0.31 0.00 1.00 0.00 0.00 62.75 62.82 1cwe n ILE 71 Cb 0.58 -1.44 -0.14 0.00 -0.71 0.00 0.00 39.64 37.93 1cwe n ILE 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1cwe s SER 72 N -6.55 3.51 0.61 4.38 0.15 -1.26 -4.86 113.70 109.69 1cwe s SER 72 Ca -0.35 -0.43 0.41 0.00 0.70 0.00 0.00 55.95 56.28 1cwe s SER 72 Cb 0.09 -0.51 2.16 0.00 -1.71 0.00 0.00 66.02 66.05 1cwe s SER 72 CO 0.59 0.29 2.25 -0.65 1.20 0.00 0.00 173.24 176.92 1cwe h PRO 73 N 4.97 0.00 0.00 5.44 0.11 -2.02 -2.68 132.00 137.82 1cwe h PRO 73 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1cwe h PRO 73 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1cwe h PRO 73 CO 0.47 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.16 1cwe h ARG 74 N 0.00 0.00 -2.36 1.05 3.08 -2.01 -3.43 114.38 110.70 1cwe h ARG 74 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1cwe h ARG 74 Cb 0.07 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.89 1cwe h ARG 74 CO 0.00 0.10 -0.10 -1.50 -1.07 0.00 0.00 179.97 177.41 1cwe s ILE 75 N -3.88 -0.01 0.27 2.04 2.07 -1.01 -5.16 121.20 115.53 1cwe s ILE 75 Ca -0.01 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.33 1cwe s ILE 75 Cb 0.11 -0.79 -0.06 0.00 0.13 0.00 0.00 42.46 41.86 1cwe s ILE 75 CO 0.57 0.01 -0.10 0.42 -1.91 0.00 0.00 174.94 173.93 1cwe s THR 76 N 0.84 1.85 0.10 4.00 -4.23 -1.26 -4.43 115.64 112.50 1cwe s THR 76 Ca -0.04 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1cwe s THR 76 Cb -0.05 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1cwe s THR 76 CO -0.07 -0.36 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.26 1cwe s PHE 77 N -2.89 0.84 -0.09 3.99 0.40 0.26 -4.99 117.98 115.50 1cwe s PHE 77 Ca 0.29 -1.01 0.15 0.00 -0.60 0.00 0.00 56.93 55.76 1cwe s PHE 77 Cb 0.02 -0.51 -0.13 0.00 0.51 0.00 0.00 43.02 42.91 1cwe s PHE 77 CO 0.12 -0.26 0.93 -1.00 0.70 0.00 0.00 175.22 175.71 1cwe h PRO 78 N 2.96 0.00 -4.65 0.24 0.13 -1.93 0.20 132.00 128.95 1cwe h PRO 78 Ca -0.35 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.40 1cwe h PRO 78 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1cwe h PRO 78 CO 0.64 0.42 -0.44 0.20 -0.23 0.00 0.00 178.00 178.59 1cwe s GLY 79 N -4.79 1.96 0.12 1.56 0.00 -1.26 -4.19 107.32 100.71 1cwe s GLY 79 Ca -0.02 -1.86 0.06 0.00 0.00 0.00 0.00 44.72 42.89 1cwe s GLY 79 CO 0.80 -1.34 1.27 1.41 0.00 0.00 0.00 173.10 175.25 1cwe h LEU 80 N 2.22 0.06 -1.32 0.66 3.38 -1.96 -2.78 115.31 115.57 1cwe h LEU 80 Ca -0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1cwe h LEU 80 Cb 1.24 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1cwe h LEU 80 CO 0.40 1.04 0.34 0.45 0.09 0.00 0.00 178.44 180.76 1cwe h HIS 81 N 0.01 0.78 -0.06 1.13 3.86 -1.99 -0.40 115.15 118.48 1cwe h HIS 81 Ca -0.03 -0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.93 1cwe h HIS 81 Cb 1.78 -0.26 0.02 0.00 1.06 0.00 0.00 27.41 30.01 1cwe h HIS 81 CO 0.01 0.54 -0.93 0.93 0.86 0.00 0.00 177.93 179.34 1cwe h GLU 82 N 0.82 0.74 -0.68 2.45 3.07 -1.97 -2.22 114.58 116.79 1cwe h GLU 82 Ca 0.21 -0.71 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 1cwe h GLU 82 Cb -0.01 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1cwe h GLU 82 CO -0.04 1.30 0.40 1.25 -1.40 0.00 0.00 179.01 180.52 1cwe h LEU 83 N 0.44 0.82 -0.06 1.33 6.46 -1.15 -2.10 115.31 121.05 1cwe h LEU 83 Ca -0.10 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1cwe h LEU 83 Cb 1.57 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1cwe h LEU 83 CO 0.19 0.65 -0.06 0.58 -0.62 0.00 0.00 178.44 179.18 1cwe h VAL 84 N 0.93 1.37 -0.86 1.05 2.07 -1.14 -2.56 116.25 117.09 1cwe h VAL 84 Ca 0.24 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1cwe h VAL 84 Cb -0.02 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1cwe h VAL 84 CO -0.04 0.33 0.56 -0.09 0.02 0.00 0.00 177.57 178.35 1cwe h ARG 85 N -0.28 0.96 0.31 1.57 2.43 -1.43 -1.37 114.38 116.56 1cwe h ARG 85 Ca 0.01 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1cwe h ARG 85 Cb 0.56 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1cwe h ARG 85 CO 0.01 0.64 -0.15 1.25 -1.51 0.00 0.00 179.97 180.21 1cwe h HIS 86 N 0.99 -0.38 0.00 2.20 2.76 -1.13 -3.14 115.15 116.45 1cwe h HIS 86 Ca 0.37 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1cwe h HIS 86 Cb 0.17 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1cwe h HIS 86 CO -0.00 -0.12 0.00 0.66 -1.30 0.00 0.00 177.93 177.17 1cwe n TYR 87 N -5.19 0.00 0.34 5.26 4.01 -0.88 -2.12 117.16 118.58 1cwe n TYR 87 Ca -0.10 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.75 1cwe n TYR 87 Cb 0.24 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1cwe n TYR 87 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1cwe n THR 88 N -1.08 0.27 0.54 -0.72 -1.04 -0.57 -1.46 114.28 110.21 1cwe n THR 88 Ca 0.16 -0.37 0.08 0.00 -2.04 0.00 0.00 64.05 61.88 1cwe n THR 88 Cb 0.11 0.02 0.08 0.00 -1.82 0.00 0.00 70.33 68.72 1cwe n THR 88 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1cwe n ASN 89 N -2.21 2.36 -3.65 8.00 3.02 -0.90 -4.70 115.26 117.18 1cwe n ASN 89 Ca 0.00 -1.67 -0.04 0.00 -0.03 0.00 0.00 54.58 52.84 1cwe n ASN 89 Cb 0.49 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 1cwe n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwe s ALA 90 N -1.23 -2.17 0.16 5.41 0.00 -1.02 -5.03 121.76 117.88 1cwe s ALA 90 Ca 0.19 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.89 1cwe s ALA 90 Cb 0.13 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1cwe s ALA 90 CO 0.19 -0.15 1.40 0.66 0.00 0.00 0.00 175.76 177.86 1cwe h SER 91 N 3.57 0.43 -7.03 0.00 4.64 -1.83 -3.33 113.55 110.00 1cwe h SER 91 Ca -0.27 -0.31 -0.61 0.00 -0.47 0.00 0.00 61.79 60.13 1cwe h SER 91 Cb 1.19 -0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 1cwe h SER 91 CO 0.16 1.07 -0.95 -0.67 -0.87 0.00 0.00 176.83 175.57 1cwe n ASP 92 N -3.78 0.44 0.00 4.97 2.03 -1.26 0.70 116.55 119.65 1cwe n ASP 92 Ca -0.05 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 54.02 1cwe n ASP 92 Cb 0.76 -1.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1cwe n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cwe n GLY 93 N -2.34 1.79 3.74 0.27 0.00 -1.26 -5.05 105.19 102.34 1cwe n GLY 93 Ca -0.27 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1cwe n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cwe s LEU 94 N 0.00 3.24 0.56 0.99 1.02 0.22 -4.88 118.68 119.82 1cwe s LEU 94 Ca 0.00 2.13 0.23 0.00 0.02 0.00 0.00 54.13 56.51 1cwe s LEU 94 Cb 0.00 -4.56 1.54 0.00 0.02 0.00 0.00 46.19 43.18 1cwe s LEU 94 CO 0.00 -2.12 2.18 0.00 0.02 0.00 0.00 176.35 176.43 1cwe s THR 96 N -4.85 0.00 0.28 0.00 -1.32 -1.26 -5.08 115.64 103.40 1cwe s THR 96 Ca -0.05 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.14 1cwe s THR 96 Cb 0.16 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 1cwe s THR 96 CO 0.61 0.00 1.12 -0.60 -2.21 0.00 0.00 174.62 173.54 1cwe s ARG 97 N -3.19 4.61 0.43 7.08 3.52 -1.26 -4.65 118.95 125.49 1cwe s ARG 97 Ca 0.00 1.84 -0.22 0.00 -0.13 0.00 0.00 55.73 57.22 1cwe s ARG 97 Cb -0.01 -3.18 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 1cwe s ARG 97 CO -0.09 0.17 0.99 -0.51 -0.81 0.00 0.00 175.30 175.05 1cwe s LEU 98 N -1.40 3.98 -0.33 -0.88 1.43 -0.54 -4.30 118.68 116.64 1cwe s LEU 98 Ca 0.45 1.82 -0.07 0.00 -1.03 0.00 0.00 54.13 55.30 1cwe s LEU 98 Cb -0.33 -4.45 0.03 0.00 0.03 0.00 0.00 46.19 41.47 1cwe s LEU 98 CO 0.42 -0.47 0.10 -0.94 0.23 0.00 0.00 176.35 175.69 1cwe s SER 99 N -1.99 5.27 0.00 2.29 1.04 0.35 -4.40 113.70 116.26 1cwe s SER 99 Ca 0.62 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1cwe s SER 99 Cb -0.14 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1cwe s SER 99 CO 0.18 -0.28 0.00 -2.11 0.98 0.00 0.00 173.24 172.01