#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc n SER 2 N 0.00 0.00 -3.61 2.55 3.41 -1.26 -4.85 113.62 109.86 3cxc n SER 2 Ca 0.00 -0.24 -0.10 0.00 -0.26 0.00 0.00 58.87 58.27 3cxc n SER 2 Cb 0.00 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 3cxc n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cxc s SER 3 N -2.49 -0.43 -0.34 4.04 1.04 -1.26 -5.10 113.70 109.16 3cxc s SER 3 Ca 0.30 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.57 3cxc s SER 3 Cb 0.19 0.65 0.45 0.00 0.10 0.00 0.00 66.02 67.42 3cxc s SER 3 CO 0.42 -1.13 1.12 -3.20 0.98 0.00 0.00 173.24 171.44 3cxc n ASN 4 N -0.41 3.91 -4.91 7.02 5.15 -1.26 -4.94 115.26 119.81 3cxc n ASN 4 Ca -0.12 -3.35 -0.27 0.00 -0.60 0.00 0.00 54.58 50.25 3cxc n ASN 4 Cb 0.62 -0.43 0.01 0.00 -0.53 0.00 0.00 39.78 39.45 3cxc n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3cxc s GLY 5 N -3.55 1.51 0.57 8.20 0.00 -1.26 -4.97 107.32 107.82 3cxc s GLY 5 Ca 0.43 -0.61 0.27 0.00 0.00 0.00 0.00 44.72 44.82 3cxc s GLY 5 CO -0.05 -0.43 2.01 -2.55 0.00 0.00 0.00 173.10 172.09 3cxc h PRO 6 N 0.19 0.00 -0.55 2.90 0.11 -2.05 -1.42 132.00 131.18 3cxc h PRO 6 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cxc h PRO 6 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cxc h PRO 6 CO 0.61 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.68 3cxc n LEU 7 N -3.99 3.07 -4.69 2.35 4.77 -1.26 -4.65 117.00 112.60 3cxc n LEU 7 Ca 0.06 -1.51 -0.42 0.00 -0.03 0.00 0.00 56.01 54.11 3cxc n LEU 7 Cb 0.50 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3cxc n LEU 7 CO 0.31 0.76 1.36 -0.70 -1.33 0.00 0.00 177.39 177.79 3cxc s GLU 8 N -1.27 4.18 -1.03 3.23 -6.30 -0.54 -1.93 118.70 115.05 3cxc s GLU 8 Ca 0.39 2.39 -0.02 0.00 -2.50 0.00 0.00 54.97 55.23 3cxc s GLU 8 Cb 0.20 -3.60 0.00 0.00 0.00 0.00 0.00 34.13 30.73 3cxc s GLU 8 CO 0.27 -0.76 0.32 0.41 0.02 0.00 0.00 175.26 175.51 3cxc n GLY 9 N 4.06 -0.11 0.35 -1.50 0.00 -1.26 -4.92 105.19 101.81 3cxc n GLY 9 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.00 3cxc n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cxc n THR 10 N -4.05 1.16 -0.25 2.61 -2.24 -0.81 -4.71 114.28 105.99 3cxc n THR 10 Ca -0.09 -1.16 0.06 0.00 -2.27 0.00 0.00 64.05 60.59 3cxc n THR 10 Cb 0.59 0.39 0.19 0.00 -2.10 0.00 0.00 70.33 69.39 3cxc n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3cxc h ARG 11 N 1.00 0.32 0.36 -0.78 2.43 -1.92 -2.20 114.38 113.59 3cxc h ARG 11 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3cxc h ARG 11 Cb 0.71 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3cxc h ARG 11 CO 0.02 0.21 -0.17 0.78 -1.51 0.00 0.00 179.97 179.30 3cxc h GLY 12 N 0.33 -0.50 2.00 2.80 0.00 -1.95 -3.29 103.07 102.47 3cxc h GLY 12 Ca 0.42 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 3cxc h GLY 12 CO -0.47 -0.18 -0.05 0.07 0.00 0.00 0.00 176.54 175.90 3cxc h LYS 13 N -1.10 0.00 -0.46 4.80 2.10 -1.88 -2.73 116.57 117.30 3cxc h LYS 13 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 3cxc h LYS 13 Cb 0.42 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 3cxc h LYS 13 CO 0.08 0.05 0.04 1.28 -2.00 0.00 0.00 179.45 178.90 3cxc n LEU 14 N -3.47 4.98 -4.41 7.07 4.77 -0.83 -4.84 117.00 120.27 3cxc n LEU 14 Ca -0.02 -3.05 -0.27 0.00 -0.03 0.00 0.00 56.01 52.64 3cxc n LEU 14 Cb 0.18 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 3cxc n LEU 14 CO 0.27 0.70 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.74 3cxc s LYS 15 N -2.85 1.48 0.09 3.23 2.20 -1.03 -4.74 119.74 118.11 3cxc s LYS 15 Ca 0.49 -1.49 0.03 0.00 -0.36 0.00 0.00 55.97 54.64 3cxc s LYS 15 Cb 0.39 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.86 3cxc s LYS 15 CO 0.12 0.40 0.13 -0.80 -0.36 0.00 0.00 175.35 174.84 3cxc s ASN 16 N -2.57 5.77 0.20 1.43 0.02 -1.26 -4.88 114.94 113.65 3cxc s ASN 16 Ca 0.19 0.05 -0.30 0.00 -1.02 0.00 0.00 52.86 51.78 3cxc s ASN 16 Cb -0.08 -1.62 -0.09 0.00 0.02 0.00 0.00 41.25 39.49 3cxc s ASN 16 CO 0.09 0.15 1.27 -0.54 0.02 0.00 0.00 177.10 178.09 3cxc s LYS 17 N -2.56 4.42 0.23 -0.60 3.01 -1.26 -4.86 119.74 118.12 3cxc s LYS 17 Ca 0.31 2.00 0.15 0.00 -1.01 0.00 0.00 55.97 57.41 3cxc s LYS 17 Cb -0.12 -3.21 0.82 0.00 -1.01 0.00 0.00 37.83 34.31 3cxc s LYS 17 CO 0.24 -0.19 0.92 -2.30 0.51 0.00 0.00 175.35 174.53 3cxc n PRO 18 N 2.50 -0.03 0.19 -1.68 -0.02 -1.26 0.77 135.00 135.47 3cxc n PRO 18 Ca 0.05 0.78 0.09 0.00 -2.02 0.00 0.00 63.50 62.41 3cxc n PRO 18 Cb 0.43 -1.45 0.12 0.00 -0.02 0.00 0.00 33.50 32.58 3cxc n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cxc h ARG 19 N 0.00 0.00 -0.34 -0.52 3.08 -2.05 -3.14 114.38 111.40 3cxc h ARG 19 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 3cxc h ARG 19 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 3cxc h ARG 19 CO -0.39 0.14 0.00 -0.25 -1.07 0.00 0.00 179.97 178.40 3cxc n ASP 20 N -3.11 2.16 -4.72 7.04 8.00 0.23 -4.94 116.55 121.21 3cxc n ASP 20 Ca 0.03 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.29 3cxc n ASP 20 Cb 0.59 -0.23 0.10 0.00 -0.02 0.00 0.00 41.12 41.57 3cxc n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cxc s ARG 21 N -1.55 1.98 0.00 -1.24 3.52 -1.16 -4.87 118.95 115.64 3cxc s ARG 21 Ca 0.30 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 3cxc s ARG 21 Cb 0.16 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 31.72 3cxc s ARG 21 CO 0.22 -1.93 0.00 0.41 -0.81 0.00 0.00 175.30 173.19 3cxc n GLY 22 N 0.09 -1.68 2.57 8.12 0.00 -1.26 -4.96 105.19 108.07 3cxc n GLY 22 Ca 0.12 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3cxc n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cxc n THR 23 N -1.51 0.90 -3.02 2.61 -1.04 -1.26 -4.85 114.28 106.11 3cxc n THR 23 Ca 0.00 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 3cxc n THR 23 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3cxc n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3cxc s SER 24 N -0.45 5.90 0.12 8.00 0.01 -1.26 -5.04 113.70 120.97 3cxc s SER 24 Ca 0.56 0.32 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 3cxc s SER 24 Cb -0.80 -1.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.73 3cxc s SER 24 CO 0.42 -0.65 1.71 -2.84 0.41 0.00 0.00 173.24 172.29 3cxc s PRO 25 N -4.53 4.17 0.49 12.44 0.02 -1.26 -4.92 135.00 141.41 3cxc s PRO 25 Ca 0.47 2.47 0.23 0.00 0.02 0.00 0.00 61.00 64.19 3cxc s PRO 25 Cb -0.10 -3.47 1.29 0.00 0.02 0.00 0.00 34.50 32.25 3cxc s PRO 25 CO 0.38 -0.76 2.04 -1.35 -0.33 0.00 0.00 177.00 176.98 3cxc h PRO 26 N 8.02 0.00 -0.52 5.54 0.11 -1.99 -3.24 132.00 139.92 3cxc h PRO 26 Ca -0.44 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3cxc h PRO 26 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 3cxc h PRO 26 CO 0.94 0.15 -0.43 0.37 -0.21 0.00 0.00 178.00 178.82 3cxc h GLN 27 N 0.00 -0.25 0.00 1.05 5.75 -1.99 -0.06 115.11 119.61 3cxc h GLN 27 Ca -0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3cxc h GLN 27 Cb 0.34 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3cxc h GLN 27 CO 0.02 -0.17 0.00 0.07 -2.65 0.00 0.00 178.83 176.10 3cxc h ARG 28 N -0.26 0.00 0.00 1.69 0.11 -1.96 -2.17 114.38 111.79 3cxc h ARG 28 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 3cxc h ARG 28 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3cxc h ARG 28 CO -0.65 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.42 3cxc n ALA 29 N -1.80 2.30 0.09 0.08 0.00 -0.08 -3.48 120.51 117.62 3cxc n ALA 29 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.38 3cxc n ALA 29 Cb 0.32 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3cxc n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cxc n VAL 30 N -1.45 0.00 -1.34 0.00 0.31 -0.84 -4.25 118.33 110.77 3cxc n VAL 30 Ca 0.08 -0.48 -0.40 0.00 -0.01 0.00 0.00 64.34 63.54 3cxc n VAL 30 Cb 0.30 1.03 0.01 0.00 -0.91 0.00 0.00 33.84 34.27 3cxc n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3cxc n GLU 31 N -0.40 0.20 -4.57 5.55 4.07 -1.07 -4.96 120.64 119.46 3cxc n GLU 31 Ca 0.01 0.08 -0.33 0.00 -0.06 0.00 0.00 57.16 56.85 3cxc n GLU 31 Cb 0.04 -1.24 -0.15 0.00 -0.06 0.00 0.00 31.44 30.04 3cxc n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3cxc s GLU 32 N -1.34 3.32 0.22 5.31 0.41 -1.26 -4.87 118.70 120.49 3cxc s GLU 32 Ca 0.61 -0.70 0.09 0.00 -0.41 0.00 0.00 54.97 54.56 3cxc s GLU 32 Cb -0.53 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 3cxc s GLU 32 CO 0.61 0.09 -0.08 -0.06 -0.49 0.00 0.00 175.26 175.34 3cxc s PHE 33 N 0.66 2.62 0.12 1.61 0.40 -1.26 -5.13 117.98 117.00 3cxc s PHE 33 Ca -0.07 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 3cxc s PHE 33 Cb -0.15 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3cxc s PHE 33 CO 0.02 0.57 -0.13 -0.51 0.70 0.00 0.00 175.22 175.87 3cxc s ASP 34 N -3.16 4.20 -0.08 1.36 1.01 -1.26 -5.05 116.67 113.69 3cxc s ASP 34 Ca 0.27 -0.48 -0.37 0.00 0.71 0.00 0.00 52.55 52.69 3cxc s ASP 34 Cb -0.08 -0.72 -0.14 0.00 1.01 0.00 0.00 42.92 42.99 3cxc s ASP 34 CO 0.17 0.17 1.67 0.47 0.21 0.00 0.00 175.17 177.85 3cxc n ASP 35 N 0.62 2.64 0.00 0.27 9.92 -1.26 -1.14 116.55 127.60 3cxc n ASP 35 Ca -0.14 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 3cxc n ASP 35 Cb 0.53 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 3cxc n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cxc n GLY 36 N 3.78 2.70 3.75 0.44 0.00 0.27 -4.98 105.19 111.15 3cxc n GLY 36 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3cxc n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxc s GLU 37 N -0.50 4.49 -0.09 1.61 2.02 -0.29 -4.72 118.70 121.22 3cxc s GLU 37 Ca 0.00 1.95 -0.25 0.00 0.02 0.00 0.00 54.97 56.69 3cxc s GLU 37 Cb 0.00 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 3cxc s GLU 37 CO 0.00 -0.04 0.79 0.15 0.02 0.00 0.00 175.26 176.17 3cxc s LYS 38 N -0.90 4.41 0.02 1.61 -0.14 -1.26 -1.10 119.74 122.38 3cxc s LYS 38 Ca 0.50 1.01 0.04 0.00 -1.36 0.00 0.00 55.97 56.16 3cxc s LYS 38 Cb -0.35 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.30 3cxc s LYS 38 CO 0.42 -0.09 -0.11 0.14 -0.76 0.00 0.00 175.35 174.94 3cxc s VAL 39 N 1.29 0.90 -0.13 3.17 -7.23 -0.46 -1.92 120.40 116.02 3cxc s VAL 39 Ca 0.40 -0.72 -0.23 0.00 -1.81 0.00 0.00 61.98 59.62 3cxc s VAL 39 Cb -0.18 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 3cxc s VAL 39 CO 0.18 0.08 0.71 -1.00 -0.31 0.00 0.00 175.10 174.75 3cxc s HIS 40 N -0.59 3.47 -0.23 2.82 3.76 -0.02 -1.52 115.29 122.99 3cxc s HIS 40 Ca 0.02 1.14 -0.16 0.00 -0.15 0.00 0.00 55.06 55.91 3cxc s HIS 40 Cb -0.06 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3cxc s HIS 40 CO 0.00 -0.07 0.43 -0.51 -0.85 0.00 0.00 174.74 173.74 3cxc s LEU 41 N 1.48 4.10 -0.17 0.89 1.02 0.13 -2.37 118.68 123.77 3cxc s LEU 41 Ca 0.35 0.48 -0.11 0.00 0.02 0.00 0.00 54.13 54.86 3cxc s LEU 41 Cb -0.17 -2.54 0.05 0.00 0.02 0.00 0.00 46.19 43.55 3cxc s LEU 41 CO 0.14 -0.16 0.42 -0.75 0.02 0.00 0.00 176.35 176.02 3cxc s LYS 42 N 1.73 0.43 0.03 1.70 2.47 -1.04 -0.76 119.74 124.30 3cxc s LYS 42 Ca 0.19 0.72 -0.28 0.00 -1.56 0.00 0.00 55.97 55.04 3cxc s LYS 42 Cb -0.15 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.25 3cxc s LYS 42 CO 0.09 -0.12 0.87 0.42 0.16 0.00 0.00 175.35 176.77 3cxc s ILE 43 N 0.97 4.78 -0.40 5.43 1.01 -1.26 -4.39 121.20 127.33 3cxc s ILE 43 Ca -0.06 1.84 -0.26 0.00 0.00 0.00 0.00 60.65 62.18 3cxc s ILE 43 Cb -0.06 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.21 3cxc s ILE 43 CO -0.08 0.27 0.93 -0.62 0.00 0.00 0.00 174.94 175.44 3cxc s ASP 44 N 0.46 6.63 0.49 3.58 -1.08 -1.26 -4.89 116.67 120.60 3cxc s ASP 44 Ca 0.45 0.45 0.24 0.00 -0.52 0.00 0.00 52.55 53.17 3cxc s ASP 44 Cb -0.21 -2.46 1.30 0.00 -1.46 0.00 0.00 42.92 40.09 3cxc s ASP 44 CO 0.25 -0.92 1.93 -0.65 0.52 0.00 0.00 175.17 176.31 3cxc h PRO 45 N 8.66 0.14 0.00 4.34 0.11 -1.88 -1.01 132.00 142.36 3cxc h PRO 45 Ca -0.23 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 3cxc h PRO 45 Cb 1.08 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3cxc h PRO 45 CO 1.00 0.09 -0.30 0.77 -0.21 0.00 0.00 178.00 179.35 3cxc h SER 46 N 0.15 0.00 -3.25 -2.05 0.02 -1.90 -3.42 113.55 103.09 3cxc h SER 46 Ca 0.35 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.56 3cxc h SER 46 Cb 1.19 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.49 3cxc h SER 46 CO -0.05 0.30 -0.31 -0.69 -1.14 0.00 0.00 176.83 174.94 3cxc s VAL 47 N -3.44 5.11 0.11 2.27 1.01 -0.38 -4.80 120.40 120.29 3cxc s VAL 47 Ca 0.02 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 3cxc s VAL 47 Cb 0.09 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 3cxc s VAL 47 CO 0.67 -0.67 1.67 -0.65 0.00 0.00 0.00 175.10 176.13 3cxc h PRO 48 N 8.76 -0.28 -7.45 2.72 0.11 -1.82 -3.43 132.00 130.61 3cxc h PRO 48 Ca -0.28 0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.39 3cxc h PRO 48 Cb 1.10 0.06 0.10 0.00 0.11 0.00 0.00 31.00 32.38 3cxc h PRO 48 CO 0.92 -0.19 0.29 -0.80 -0.21 0.00 0.00 178.00 178.01 3cxc s ASN 49 N -4.96 4.28 0.00 -2.05 0.01 -1.26 -4.34 114.94 106.62 3cxc s ASN 49 Ca -0.15 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 3cxc s ASN 49 Cb 0.08 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.97 3cxc s ASN 49 CO 0.66 -1.96 0.00 0.61 -1.51 0.00 0.00 177.10 174.90 3cxc n GLY 50 N -3.17 0.30 3.80 0.66 0.00 -1.26 -4.91 105.19 100.61 3cxc n GLY 50 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3cxc n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cxc s ARG 51 N -0.89 3.35 0.46 1.61 0.52 -1.26 -2.55 118.95 120.19 3cxc s ARG 51 Ca 0.00 1.24 0.06 0.00 -0.52 0.00 0.00 55.73 56.51 3cxc s ARG 51 Cb 0.00 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3cxc s ARG 51 CO 0.00 -0.79 0.18 -0.59 0.02 0.00 0.00 175.30 174.12 3cxc s PHE 52 N -2.37 2.22 -0.00 -0.53 -0.12 -1.26 -4.88 117.98 111.03 3cxc s PHE 52 Ca 0.64 -0.73 -0.30 0.00 -0.05 0.00 0.00 56.93 56.49 3cxc s PHE 52 Cb -0.16 -1.86 -0.06 0.00 -0.63 0.00 0.00 43.02 40.30 3cxc s PHE 52 CO 0.35 0.07 1.62 -1.58 -0.05 0.00 0.00 175.22 175.62 3cxc s HIS 53 N -2.71 2.26 0.28 3.49 5.65 -1.26 -4.86 115.29 118.14 3cxc s HIS 53 Ca 0.31 0.33 0.19 0.00 0.25 0.00 0.00 55.06 56.14 3cxc s HIS 53 Cb 0.02 -3.89 0.96 0.00 -1.18 0.00 0.00 32.58 28.49 3cxc s HIS 53 CO 0.18 -3.65 1.05 -2.30 -0.65 0.00 0.00 174.74 169.37 3cxc n PRO 54 N 6.35 -0.03 0.18 2.88 -0.02 -1.26 -0.66 135.00 142.43 3cxc n PRO 54 Ca 0.16 0.87 0.19 0.00 -2.02 0.00 0.00 63.50 62.70 3cxc n PRO 54 Cb 0.42 -1.65 0.79 0.00 -0.02 0.00 0.00 33.50 33.03 3cxc n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cxc h ARG 55 N 0.00 0.00 -0.01 -0.52 3.08 -1.89 -1.11 114.38 113.93 3cxc h ARG 55 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 3cxc h ARG 55 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3cxc h ARG 55 CO -0.38 0.00 -0.11 1.19 -1.07 0.00 0.00 179.97 179.60 3cxc n PHE 56 N -3.52 0.00 -1.65 3.04 3.72 0.17 -4.91 117.46 114.30 3cxc n PHE 56 Ca 0.04 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.97 3cxc n PHE 56 Cb 0.50 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 3cxc n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3cxc n ASP 57 N 0.07 2.77 0.00 4.37 9.92 -0.42 -1.04 116.55 132.22 3cxc n ASP 57 Ca 0.16 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 3cxc n ASP 57 Cb 0.39 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 3cxc n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cxc n GLY 58 N 3.15 3.01 3.73 0.44 0.00 0.06 -5.02 105.19 110.55 3cxc n GLY 58 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3cxc n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cxc s GLN 59 N -0.82 2.01 -0.31 1.61 -1.52 -0.20 -4.77 119.66 115.66 3cxc s GLN 59 Ca 0.00 1.48 -0.02 0.00 -1.95 0.00 0.00 55.36 54.87 3cxc s GLN 59 Cb 0.00 -1.85 0.10 0.00 -0.22 0.00 0.00 33.01 31.05 3cxc s GLN 59 CO 0.00 -1.88 0.12 0.99 -0.25 0.00 0.00 175.29 174.27 3cxc s THR 60 N -2.47 0.55 0.00 -0.19 2.01 -1.26 -0.69 115.64 113.59 3cxc s THR 60 Ca 0.67 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3cxc s THR 60 Cb -0.23 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.85 3cxc s THR 60 CO 0.51 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 3cxc n GLY 61 N 4.89 2.75 2.94 4.40 0.00 -0.57 -4.84 105.19 114.75 3cxc n GLY 61 Ca -0.02 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 3cxc n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 62 N 1.47 1.10 0.10 2.61 2.01 -0.70 -1.36 115.64 120.88 3cxc s THR 62 Ca 0.00 -0.36 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 3cxc s THR 62 Cb 0.00 -1.09 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 3cxc s THR 62 CO 0.00 0.37 1.71 -0.69 -0.69 0.00 0.00 174.62 175.33 3cxc s VAL 63 N 1.48 2.81 -0.47 3.82 1.01 -0.25 -1.76 120.40 127.03 3cxc s VAL 63 Ca 0.01 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3cxc s VAL 63 Cb -0.13 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.20 3cxc s VAL 63 CO -0.06 0.00 0.34 -1.61 0.00 0.00 0.00 175.10 173.77 3cxc s GLU 64 N 2.55 1.27 0.07 2.72 0.41 -0.28 0.96 118.70 126.39 3cxc s GLU 64 Ca 0.76 -2.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 3cxc s GLU 64 Cb -0.42 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 3cxc s GLU 64 CO 0.34 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.21 3cxc n GLY 65 N 2.91 -1.85 3.39 -1.39 0.00 -1.26 -4.62 105.19 102.36 3cxc n GLY 65 Ca 0.22 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 3cxc n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s LYS 66 N -1.90 1.78 -0.30 1.61 -2.85 -1.26 -2.09 119.74 114.73 3cxc s LYS 66 Ca 0.00 -2.05 -0.03 0.00 -1.00 0.00 0.00 55.97 52.89 3cxc s LYS 66 Cb 0.00 -0.15 0.11 0.00 -2.06 0.00 0.00 37.83 35.73 3cxc s LYS 66 CO 0.00 -0.53 0.17 -1.14 0.10 0.00 0.00 175.35 173.95 3cxc s GLN 67 N -3.66 0.26 3.90 1.78 0.74 0.14 -4.80 119.66 118.03 3cxc s GLN 67 Ca 0.33 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 55.17 3cxc s GLN 67 Cb 0.03 -1.08 0.00 0.00 1.10 0.00 0.00 33.01 33.06 3cxc s GLN 67 CO 0.20 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 3cxc n GLY 68 N 5.10 0.33 0.12 2.59 0.00 -1.26 -2.96 105.19 109.09 3cxc n GLY 68 Ca -0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 3cxc n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cxc h ASP 69 N 8.85 0.53 -3.52 1.61 3.32 -2.01 -3.46 116.42 121.75 3cxc h ASP 69 Ca 0.00 -0.57 -0.56 0.00 0.02 0.00 0.00 57.03 55.93 3cxc h ASP 69 Cb 0.00 -0.17 0.18 0.00 0.22 0.00 0.00 39.33 39.56 3cxc h ASP 69 CO 0.00 1.44 -0.12 0.00 -1.72 0.00 0.00 179.24 178.84 3cxc n ALA 70 N -2.58 -0.82 -2.86 3.45 0.00 -1.16 -4.85 120.51 111.69 3cxc n ALA 70 Ca -0.11 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 3cxc n ALA 70 Cb 1.04 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 3cxc n ALA 70 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3cxc s TYR 71 N -1.87 3.21 -0.32 0.00 1.51 0.35 0.24 117.35 120.47 3cxc s TYR 71 Ca 0.70 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 3cxc s TYR 71 Cb -0.35 -1.46 0.07 0.00 -0.11 0.00 0.00 41.96 40.11 3cxc s TYR 71 CO 0.54 0.50 0.03 0.15 -1.11 0.00 0.00 175.55 175.66 3cxc s LYS 72 N -3.79 2.21 -0.17 -0.62 1.02 -0.89 -0.42 119.74 117.09 3cxc s LYS 72 Ca 0.33 -1.46 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 3cxc s LYS 72 Cb -0.08 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3cxc s LYS 72 CO 0.26 -0.73 -0.01 0.08 -0.92 0.00 0.00 175.35 174.02 3cxc s VAL 73 N 1.17 4.04 -0.23 3.17 1.01 0.93 -1.13 120.40 129.36 3cxc s VAL 73 Ca -0.01 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 3cxc s VAL 73 Cb -0.20 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3cxc s VAL 73 CO -0.03 0.47 0.76 -1.81 0.00 0.00 0.00 175.10 174.50 3cxc s ASP 74 N 0.49 6.78 0.42 3.32 1.01 -0.73 0.25 116.67 128.22 3cxc s ASP 74 Ca -0.02 0.96 0.04 0.00 0.71 0.00 0.00 52.55 54.24 3cxc s ASP 74 Cb -0.14 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3cxc s ASP 74 CO 0.02 -0.44 0.04 0.27 0.21 0.00 0.00 175.17 175.27 3cxc s ILE 75 N 2.57 1.30 -0.21 0.77 -4.36 -0.04 -1.71 121.20 119.51 3cxc s ILE 75 Ca 0.33 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 3cxc s ILE 75 Cb -0.16 -2.58 0.06 0.00 1.25 0.00 0.00 42.46 41.04 3cxc s ILE 75 CO 0.09 0.00 0.00 -0.69 0.24 0.00 0.00 174.94 174.58 3cxc s VAL 76 N -2.99 0.93 -0.60 8.37 1.01 -1.26 -0.95 120.40 124.91 3cxc s VAL 76 Ca 0.25 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 3cxc s VAL 76 Cb 0.06 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 35.13 3cxc s VAL 76 CO 0.12 -0.19 1.00 -0.62 0.00 0.00 0.00 175.10 175.42 3cxc s ASP 77 N 1.67 6.28 1.59 3.32 -1.08 0.52 -4.80 116.67 124.17 3cxc s ASP 77 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 3cxc s ASP 77 Cb -0.18 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 3cxc s ASP 77 CO -0.08 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 174.85 3cxc n GLY 78 N 5.20 1.29 0.35 2.66 0.00 -1.26 0.62 105.19 114.04 3cxc n GLY 78 Ca 0.01 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3cxc n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 79 N 0.00 -0.21 3.77 -0.02 0.00 -1.26 -4.98 105.19 102.49 3cxc n GLY 79 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3cxc n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cxc s LYS 80 N -1.22 4.07 -0.06 1.61 2.20 0.20 -5.06 119.74 121.48 3cxc s LYS 80 Ca 0.11 0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.53 3cxc s LYS 80 Cb 0.09 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3cxc s LYS 80 CO 0.22 0.40 0.83 -2.00 -0.36 0.00 0.00 175.35 174.43 3cxc s GLU 81 N -0.00 4.45 0.11 4.03 2.12 -1.26 0.19 118.70 128.34 3cxc s GLU 81 Ca 0.16 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.61 3cxc s GLU 81 Cb -0.13 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 3cxc s GLU 81 CO 0.05 -0.06 -0.01 0.15 -0.54 0.00 0.00 175.26 174.85 3cxc s LYS 82 N 1.15 0.86 -0.14 4.30 1.02 -0.12 -4.91 119.74 121.90 3cxc s LYS 82 Ca 0.43 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 55.07 3cxc s LYS 82 Cb -0.19 0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.16 3cxc s LYS 82 CO 0.20 -0.14 -0.21 0.99 -0.92 0.00 0.00 175.35 175.27 3cxc s THR 83 N -3.84 2.01 -0.17 2.17 2.01 -1.26 -0.86 115.64 115.70 3cxc s THR 83 Ca 0.17 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3cxc s THR 83 Cb 0.07 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3cxc s THR 83 CO -0.03 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.75 3cxc s ILE 84 N 0.83 3.49 -0.51 1.82 1.01 0.14 -4.90 121.20 123.08 3cxc s ILE 84 Ca -0.07 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3cxc s ILE 84 Cb -0.15 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3cxc s ILE 84 CO -0.02 0.47 0.86 -0.63 0.00 0.00 0.00 174.94 175.62 3cxc s ILE 85 N 0.78 4.52 -0.00 2.92 -1.09 -1.26 -0.05 121.20 127.02 3cxc s ILE 85 Ca -0.02 0.27 -0.00 0.00 -2.23 0.00 0.00 60.65 58.66 3cxc s ILE 85 Cb -0.15 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.29 3cxc s ILE 85 CO 0.02 -0.95 0.01 0.54 -1.23 0.00 0.00 174.94 173.33 3cxc s VAL 86 N 3.60 0.00 0.61 2.92 0.11 0.44 -4.60 120.40 123.48 3cxc s VAL 86 Ca 0.29 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 3cxc s VAL 86 Cb -0.13 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 3cxc s VAL 86 CO 0.20 -0.02 1.00 0.42 -3.33 0.00 0.00 175.10 173.37 3cxc s THR 87 N -0.05 4.52 0.36 5.04 -4.23 -1.06 -0.49 115.64 119.73 3cxc s THR 87 Ca -0.01 0.69 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 3cxc s THR 87 Cb -0.00 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.31 3cxc s THR 87 CO -0.00 -1.01 2.01 0.00 -0.54 0.00 0.00 174.62 175.08 3cxc h ALA 88 N -0.29 1.59 -1.06 3.99 0.00 -1.86 -2.25 119.26 119.38 3cxc h ALA 88 Ca -0.45 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 54.73 3cxc h ALA 88 Cb 1.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3cxc h ALA 88 CO 0.62 0.37 1.13 0.00 0.00 0.00 0.00 179.25 181.38 3cxc h ALA 89 N 1.62 2.96 -0.27 0.00 0.00 -1.74 1.09 119.26 122.93 3cxc h ALA 89 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3cxc h ALA 89 Cb -0.04 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3cxc h ALA 89 CO -0.06 -1.68 -0.26 0.72 0.00 0.00 0.00 179.25 177.98 3cxc n HIS 90 N -3.40 0.86 -4.03 0.00 -0.00 -0.85 -4.57 115.22 103.23 3cxc n HIS 90 Ca 0.23 -1.64 -0.11 0.00 -0.00 0.00 0.00 57.72 56.20 3cxc n HIS 90 Cb 1.46 -0.42 -0.11 0.00 -0.00 0.00 0.00 29.99 30.92 3cxc n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3cxc s LEU 91 N -3.29 2.27 0.00 2.41 1.43 0.38 -2.50 118.68 119.39 3cxc s LEU 91 Ca 0.43 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3cxc s LEU 91 Cb 0.40 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.59 3cxc s LEU 91 CO -0.03 -0.28 -0.02 -0.13 0.23 0.00 0.00 176.35 176.13 3cxc s ARG 92 N -1.73 0.16 0.20 1.70 1.81 -1.00 -4.96 118.95 115.13 3cxc s ARG 92 Ca -0.11 -0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 3cxc s ARG 92 Cb -0.09 -0.07 -0.09 0.00 -0.45 0.00 0.00 34.95 34.25 3cxc s ARG 92 CO -0.01 0.02 1.31 1.03 -0.68 0.00 0.00 175.30 176.97 3cxc s ARG 93 N -0.36 4.39 0.43 3.54 0.52 -1.26 -0.84 118.95 125.37 3cxc s ARG 93 Ca -0.03 2.06 -0.23 0.00 -0.52 0.00 0.00 55.73 57.02 3cxc s ARG 93 Cb -0.03 -3.19 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 3cxc s ARG 93 CO -0.00 -0.25 1.04 -1.14 0.02 0.00 0.00 175.30 174.97 3cxc s GLN 94 N -0.16 4.05 0.00 3.54 0.74 -0.81 -4.84 119.66 122.18 3cxc s GLN 94 Ca 0.56 1.44 0.00 0.00 0.05 0.00 0.00 55.36 57.42 3cxc s GLN 94 Cb -0.37 -2.38 0.00 0.00 1.10 0.00 0.00 33.01 31.37 3cxc s GLN 94 CO 0.39 -0.23 0.00 0.39 -0.55 0.00 0.00 175.29 175.28