#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9pcy s GLU 2 N 0.00 3.98 -0.16 1.96 -6.30 -1.26 -0.52 118.70 116.40 9pcy s GLU 2 Ca 0.00 0.08 -0.03 0.00 -2.50 0.00 0.00 54.97 52.52 9pcy s GLU 2 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 34.13 30.43 9pcy s GLU 2 CO 0.00 -0.33 -0.04 0.08 0.02 0.00 0.00 175.26 174.98 9pcy s VAL 3 N 2.16 3.78 -0.19 3.70 1.01 0.82 -4.71 120.40 126.97 9pcy s VAL 3 Ca 0.17 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 9pcy s VAL 3 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 9pcy s VAL 3 CO 0.10 0.49 0.38 -0.76 0.00 0.00 0.00 175.10 175.31 9pcy s LEU 4 N 0.48 4.18 -0.70 3.92 1.43 0.26 -1.13 118.68 127.12 9pcy s LEU 4 Ca -0.04 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.36 9pcy s LEU 4 Cb -0.14 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.65 9pcy s LEU 4 CO 0.03 -0.03 1.04 -0.76 0.23 0.00 0.00 176.35 176.86 9pcy s LEU 5 N 1.07 4.19 0.00 1.79 1.43 0.43 -0.67 118.68 126.92 9pcy s LEU 5 Ca 0.19 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 9pcy s LEU 5 Cb -0.14 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.63 9pcy s LEU 5 CO 0.07 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.77 9pcy n GLY 6 N 5.39 2.00 1.77 -3.19 0.00 0.50 -1.49 105.19 110.16 9pcy n GLY 6 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 9pcy n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9pcy n SER 7 N 0.00 5.66 0.00 1.61 3.41 -1.14 -4.33 113.62 118.83 9pcy n SER 7 Ca 0.00 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 9pcy n SER 7 Cb 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 9pcy n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 9pcy n GLY 8 N 1.41 0.85 1.42 5.00 0.00 -1.26 -4.66 105.19 107.95 9pcy n GLY 8 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 9pcy n GLY 8 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 9pcy n ASP 9 N 1.88 2.93 0.00 1.61 5.75 -1.26 -4.71 116.55 122.75 9pcy n ASP 9 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 9pcy n ASP 9 Cb 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 9pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 9pcy n GLY 10 N 1.30 1.56 3.68 6.12 0.00 -1.26 -4.95 105.19 111.64 9pcy n GLY 10 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 9pcy n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 9pcy n SER 11 N 0.00 3.38 -3.52 1.61 2.88 -1.26 -4.14 113.62 112.57 9pcy n SER 11 Ca 0.00 1.07 -0.39 0.00 -1.33 0.00 0.00 58.87 58.22 9pcy n SER 11 Cb 0.00 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 61.97 9pcy n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 9pcy n LEU 12 N 3.84 6.71 -4.12 2.46 4.77 -1.26 -2.86 117.00 126.54 9pcy n LEU 12 Ca 0.17 -3.84 -0.20 0.00 -0.03 0.00 0.00 56.01 52.11 9pcy n LEU 12 Cb 0.31 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.79 9pcy n LEU 12 CO 0.64 1.08 -0.46 0.68 -1.33 0.00 0.00 177.39 178.00 9pcy s VAL 13 N 3.23 1.06 -0.06 4.08 -7.23 -1.26 -3.99 120.40 116.23 9pcy s VAL 13 Ca 0.54 -0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 9pcy s VAL 13 Cb 0.15 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 9pcy s VAL 13 CO -0.04 0.07 0.78 -0.36 -0.31 0.00 0.00 175.10 175.24 9pcy s PHE 14 N -0.71 3.58 -0.34 2.82 0.40 -1.26 -0.37 117.98 122.09 9pcy s PHE 14 Ca 0.02 1.36 0.01 0.00 -0.60 0.00 0.00 56.93 57.72 9pcy s PHE 14 Cb -0.07 -2.90 0.09 0.00 0.51 0.00 0.00 43.02 40.65 9pcy s PHE 14 CO 0.01 0.02 0.06 0.08 0.70 0.00 0.00 175.22 176.09 9pcy s VAL 15 N 1.01 2.61 0.81 -0.44 1.01 0.15 -1.73 120.40 123.82 9pcy s VAL 15 Ca 0.41 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 9pcy s VAL 15 Cb -0.18 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.50 9pcy s VAL 15 CO 0.20 -0.47 1.12 -2.84 0.00 0.00 0.00 175.10 173.10 9pcy s PRO 16 N 1.04 2.00 -0.13 2.72 0.02 -1.26 -0.58 135.00 138.81 9pcy s PRO 16 Ca 0.05 0.43 -0.15 0.00 0.02 0.00 0.00 61.00 61.36 9pcy s PRO 16 Cb -0.20 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 9pcy s PRO 16 CO -0.06 -1.63 -0.28 0.45 -0.33 0.00 0.00 177.00 175.15 9pcy n SER 17 N -3.40 1.73 -4.61 2.53 2.88 -0.71 -4.89 113.62 107.16 9pcy n SER 17 Ca 0.07 0.29 -0.36 0.00 -1.33 0.00 0.00 58.87 57.54 9pcy n SER 17 Cb 0.58 -0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 63.27 9pcy n SER 17 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 9pcy s GLU 18 N -2.69 3.97 0.24 -1.46 -6.30 -1.26 -0.47 118.70 110.72 9pcy s GLU 18 Ca -0.23 -0.33 -0.11 0.00 -2.50 0.00 0.00 54.97 51.80 9pcy s GLU 18 Cb 0.03 -3.39 0.04 0.00 0.00 0.00 0.00 34.13 30.81 9pcy s GLU 18 CO 0.35 0.09 0.57 1.97 0.02 0.00 0.00 175.26 178.25 9pcy n PHE 19 N 4.15 -1.77 -4.30 5.30 -1.74 0.07 -4.94 117.46 114.23 9pcy n PHE 19 Ca -0.16 -1.18 -0.20 0.00 -0.56 0.00 0.00 57.45 55.35 9pcy n PHE 19 Cb 0.52 0.59 -0.13 0.00 1.52 0.00 0.00 39.48 41.98 9pcy n PHE 19 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 9pcy s SER 20 N -2.45 1.68 0.02 5.98 0.01 -1.26 -0.37 113.70 117.31 9pcy s SER 20 Ca 0.12 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.79 9pcy s SER 20 Cb -0.03 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.11 9pcy s SER 20 CO 0.07 0.00 0.15 0.68 0.41 0.00 0.00 173.24 174.56 9pcy s VAL 21 N -0.98 0.10 0.67 3.43 -7.23 0.12 -4.86 120.40 111.65 9pcy s VAL 21 Ca 0.01 -0.82 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 9pcy s VAL 21 Cb -0.08 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.20 9pcy s VAL 21 CO 0.02 -0.45 1.07 -2.16 -0.31 0.00 0.00 175.10 173.26 9pcy s PRO 22 N -1.93 2.95 0.08 4.82 0.04 -1.26 -0.25 135.00 139.45 9pcy s PRO 22 Ca -0.10 1.09 -0.33 0.00 0.04 0.00 0.00 61.00 61.69 9pcy s PRO 22 Cb -0.05 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 9pcy s PRO 22 CO -0.01 -1.10 1.72 0.43 0.04 0.00 0.00 177.00 178.09 9pcy n SER 23 N -2.80 3.42 0.00 6.66 7.64 -0.34 -1.40 113.62 126.81 9pcy n SER 23 Ca 0.08 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.99 9pcy n SER 23 Cb 0.53 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 9pcy n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 9pcy n GLY 24 N 3.89 0.75 3.77 0.23 0.00 0.63 -4.94 105.19 109.51 9pcy n GLY 24 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 9pcy n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 9pcy s GLU 25 N -0.49 4.16 -0.72 1.61 2.56 -0.49 -4.58 118.70 120.75 9pcy s GLU 25 Ca 0.00 2.50 -0.18 0.00 0.00 0.00 0.00 54.97 57.29 9pcy s GLU 25 Cb 0.00 -3.01 0.13 0.00 2.00 0.00 0.00 34.13 33.25 9pcy s GLU 25 CO 0.00 -0.51 0.85 -1.59 -0.56 0.00 0.00 175.26 173.46 9pcy s LYS 26 N -1.44 3.28 0.10 4.30 -2.85 -1.26 -1.06 119.74 120.81 9pcy s LYS 26 Ca 0.56 -1.56 -0.27 0.00 -1.00 0.00 0.00 55.97 53.70 9pcy s LYS 26 Cb -0.46 -4.46 -0.06 0.00 -2.06 0.00 0.00 37.83 30.79 9pcy s LYS 26 CO 0.56 -1.59 0.83 0.42 0.10 0.00 0.00 175.35 175.66 9pcy s ILE 27 N 2.44 4.54 -0.08 3.79 1.01 0.92 -1.76 121.20 132.07 9pcy s ILE 27 Ca 0.19 1.79 0.04 0.00 0.00 0.00 0.00 60.65 62.68 9pcy s ILE 27 Cb -0.16 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 9pcy s ILE 27 CO 0.00 0.40 -0.23 -0.69 0.00 0.00 0.00 174.94 174.42 9pcy s VAL 28 N -0.36 2.24 -0.14 2.92 1.01 0.32 -0.83 120.40 125.56 9pcy s VAL 28 Ca 0.40 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.42 9pcy s VAL 28 Cb -0.22 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.32 9pcy s VAL 28 CO 0.26 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.37 9pcy s PHE 29 N 0.05 2.51 -0.05 5.22 0.08 0.45 -0.12 117.98 126.13 9pcy s PHE 29 Ca -0.09 -1.32 0.07 0.00 0.12 0.00 0.00 56.93 55.71 9pcy s PHE 29 Cb -0.15 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 9pcy s PHE 29 CO 0.06 -0.63 -0.25 0.21 -0.10 0.00 0.00 175.22 174.50 9pcy s LYS 30 N 1.01 2.41 -0.60 0.44 2.20 -0.28 -0.52 119.74 124.41 9pcy s LYS 30 Ca -0.03 -0.91 -0.26 0.00 -0.36 0.00 0.00 55.97 54.41 9pcy s LYS 30 Cb -0.15 -2.11 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 9pcy s LYS 30 CO -0.05 0.43 1.98 -0.80 -0.36 0.00 0.00 175.35 176.55 9pcy s ASN 31 N -0.28 5.08 -0.13 1.43 -0.87 0.22 -0.43 114.94 119.96 9pcy s ASN 31 Ca 0.00 0.46 -0.07 0.00 -1.57 0.00 0.00 52.86 51.68 9pcy s ASN 31 Cb -0.13 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 9pcy s ASN 31 CO 0.02 -2.51 -0.11 -1.13 -2.57 0.00 0.00 177.10 170.80 9pcy h ASN 32 N 15.80 0.00 -5.03 -1.22 -1.24 -1.54 -0.04 115.58 122.31 9pcy h ASN 32 Ca -0.24 -0.02 0.07 0.00 0.71 0.00 0.00 56.30 56.82 9pcy h ASN 32 Cb 1.18 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.16 9pcy h ASN 32 CO 1.20 0.70 0.27 0.00 -1.29 0.00 0.00 177.43 178.31 9pcy s ALA 33 N -2.67 -1.38 -1.23 1.57 0.00 -0.72 -4.79 121.76 112.54 9pcy s ALA 33 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.81 9pcy s ALA 33 Cb 0.01 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.95 9pcy s ALA 33 CO 0.17 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.37 9pcy n GLY 34 N -0.44 1.23 3.68 0.00 0.00 -1.26 -3.87 105.19 104.54 9pcy n GLY 34 Ca -0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 9pcy n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 9pcy s PHE 35 N -2.44 2.13 0.69 1.61 -0.12 -1.26 -4.78 117.98 113.81 9pcy s PHE 35 Ca 0.00 1.19 -0.14 0.00 -0.05 0.00 0.00 56.93 57.93 9pcy s PHE 35 Cb 0.00 -3.19 0.01 0.00 -0.63 0.00 0.00 43.02 39.21 9pcy s PHE 35 CO 0.00 -2.71 1.10 -1.25 -0.05 0.00 0.00 175.22 172.31 9pcy s PRO 36 N -4.89 2.68 0.22 1.99 0.04 -1.26 -5.10 135.00 128.67 9pcy s PRO 36 Ca 0.65 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 9pcy s PRO 36 Cb -0.19 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 9pcy s PRO 36 CO 0.58 -1.33 0.34 -1.01 0.04 0.00 0.00 177.00 175.61 9pcy s HIS 37 N -2.50 0.59 0.25 0.56 3.76 -0.03 -4.88 115.29 113.04 9pcy s HIS 37 Ca 0.65 -0.91 -0.21 0.00 -0.15 0.00 0.00 55.06 54.44 9pcy s HIS 37 Cb -0.19 -0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.48 9pcy s HIS 37 CO 0.45 -0.84 0.88 0.54 -0.85 0.00 0.00 174.74 174.93 9pcy s ASN 38 N -3.05 -0.11 -0.26 1.40 2.20 -1.26 0.39 114.94 114.25 9pcy s ASN 38 Ca 0.26 -0.69 -0.02 0.00 -0.94 0.00 0.00 52.86 51.47 9pcy s ASN 38 Cb 0.02 0.64 0.08 0.00 -2.00 0.00 0.00 41.25 39.99 9pcy s ASN 38 CO 0.08 -1.22 0.08 -0.69 -2.94 0.00 0.00 177.10 172.41 9pcy s VAL 39 N -2.96 0.64 -0.10 3.54 1.01 -1.26 -4.03 120.40 117.24 9pcy s VAL 39 Ca 0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 9pcy s VAL 39 Cb -0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 9pcy s VAL 39 CO 0.06 -0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 173.90 9pcy s VAL 40 N 1.76 3.60 -0.05 2.92 1.01 0.08 -0.57 120.40 129.16 9pcy s VAL 40 Ca 0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 9pcy s VAL 40 Cb -0.17 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 9pcy s VAL 40 CO -0.20 0.56 0.31 -0.36 0.00 0.00 0.00 175.10 175.41 9pcy s PHE 41 N -0.32 3.67 -0.35 5.22 0.40 -1.26 -0.37 117.98 124.97 9pcy s PHE 41 Ca 0.04 0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 56.90 9pcy s PHE 41 Cb -0.13 -2.17 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 9pcy s PHE 41 CO 0.02 0.66 1.56 0.34 0.70 0.00 0.00 175.22 178.50 9pcy s ASP 42 N -0.97 6.23 0.52 1.36 -1.08 0.11 -4.88 116.67 117.95 9pcy s ASP 42 Ca 0.20 1.13 0.37 0.00 -0.52 0.00 0.00 52.55 53.72 9pcy s ASP 42 Cb -0.15 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.30 9pcy s ASP 42 CO 0.10 -1.47 1.74 1.05 0.52 0.00 0.00 175.17 177.11 9pcy h GLU 43 N 11.29 0.05 0.00 4.34 4.11 -1.96 -1.45 114.58 130.97 9pcy h GLU 43 Ca -0.30 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.08 9pcy h GLU 43 Cb 1.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 9pcy h GLU 43 CO 1.05 0.04 -0.24 0.22 0.07 0.00 0.00 179.01 180.15 9pcy h ASP 44 N 0.05 0.00 -0.05 3.06 3.58 -1.97 -3.39 116.42 117.71 9pcy h ASP 44 Ca 0.66 -0.82 -0.52 0.00 0.42 0.00 0.00 57.03 56.78 9pcy h ASP 44 Cb 2.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.54 9pcy h ASP 44 CO -0.08 1.05 2.41 -0.62 -2.88 0.00 0.00 179.24 179.12 9pcy n GLU 45 N -4.59 3.17 -3.72 0.28 1.02 -0.55 -4.77 120.64 111.49 9pcy n GLU 45 Ca -0.13 -1.85 -0.14 0.00 -0.02 0.00 0.00 57.16 55.01 9pcy n GLU 45 Cb 0.48 -2.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.29 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 9pcy s ILE 46 N 1.64 0.05 -0.18 -3.67 -4.36 -1.23 -0.80 121.20 112.65 9pcy s ILE 46 Ca 0.68 -0.37 -0.29 0.00 -0.26 0.00 0.00 60.65 60.41 9pcy s ILE 46 Cb 0.23 -0.68 -0.03 0.00 1.25 0.00 0.00 42.46 43.22 9pcy s ILE 46 CO -0.04 -0.21 1.62 -2.16 0.24 0.00 0.00 174.94 174.39 9pcy s PRO 47 N -1.26 3.89 0.25 0.37 0.04 -1.26 -4.88 135.00 132.16 9pcy s PRO 47 Ca -0.13 1.79 0.13 0.00 0.04 0.00 0.00 61.00 62.84 9pcy s PRO 47 Cb -0.04 -4.02 0.88 0.00 0.04 0.00 0.00 34.50 31.36 9pcy s PRO 47 CO 0.05 -1.18 1.08 0.00 0.04 0.00 0.00 177.00 176.99 9pcy n ALA 48 N 8.12 0.67 -0.28 8.56 0.00 -1.26 -0.81 120.51 135.51 9pcy n ALA 48 Ca 0.18 0.70 0.20 0.00 0.00 0.00 0.00 53.44 54.52 9pcy n ALA 48 Cb 0.45 -0.68 0.50 0.00 0.00 0.00 0.00 19.45 19.72 9pcy n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 9pcy h GLY 49 N 0.00 1.01 -7.34 0.00 0.00 -1.99 -3.34 103.07 91.42 9pcy h GLY 49 Ca 0.56 -0.20 -0.73 0.00 0.00 0.00 0.00 47.33 46.96 9pcy h GLY 49 CO -0.54 -0.04 -0.38 0.14 0.00 0.00 0.00 176.54 175.72 9pcy s VAL 50 N -5.46 4.70 0.27 4.60 1.01 0.01 -5.06 120.40 120.46 9pcy s VAL 50 Ca -0.08 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 9pcy s VAL 50 Cb 0.24 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 9pcy s VAL 50 CO 0.79 -0.61 1.50 -0.62 0.00 0.00 0.00 175.10 176.16 9pcy s ASP 51 N 2.54 6.54 0.34 3.32 -1.08 -1.26 -4.75 116.67 122.32 9pcy s ASP 51 Ca 0.04 2.79 0.13 0.00 -0.52 0.00 0.00 52.55 54.98 9pcy s ASP 51 Cb -0.25 -2.63 1.07 0.00 -1.46 0.00 0.00 42.92 39.66 9pcy s ASP 51 CO 0.03 -0.79 1.63 0.00 0.52 0.00 0.00 175.17 176.57 9pcy h ALA 52 N 4.90 1.84 -0.25 3.66 0.00 -1.92 0.16 119.26 127.65 9pcy h ALA 52 Ca -0.46 0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 9pcy h ALA 52 Cb 1.22 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 9pcy h ALA 52 CO 0.78 -0.66 0.21 0.28 0.00 0.00 0.00 179.25 179.86 9pcy h VAL 53 N 0.19 0.67 0.00 0.00 2.07 -1.90 0.28 116.25 117.57 9pcy h VAL 53 Ca 0.73 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.25 9pcy h VAL 53 Cb 1.70 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 9pcy h VAL 53 CO -0.68 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.02 9pcy h LYS 54 N 0.00 0.00 0.00 1.57 1.79 -1.02 -3.34 116.57 115.56 9pcy h LYS 54 Ca 0.12 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 9pcy h LYS 54 Cb 0.54 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 9pcy h LYS 54 CO -0.00 0.00 -1.16 0.44 -1.08 0.00 0.00 179.45 177.65 9pcy n ILE 55 N -2.95 0.07 -2.92 1.86 -0.00 -0.26 -4.94 119.36 110.21 9pcy n ILE 55 Ca 0.03 -0.09 -0.41 0.00 -0.00 0.00 0.00 62.75 62.28 9pcy n ILE 55 Cb 0.43 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.64 40.00 9pcy n ILE 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 9pcy s SER 56 N -2.70 7.13 -0.01 7.28 0.01 0.83 -4.77 113.70 121.46 9pcy s SER 56 Ca -0.01 1.36 -0.30 0.00 1.31 0.00 0.00 55.95 58.31 9pcy s SER 56 Cb 0.02 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 9pcy s SER 56 CO 0.13 -0.18 1.66 -0.32 0.41 0.00 0.00 173.24 174.94 9pcy s MET 57 N 0.91 4.19 -0.23 12.44 1.75 0.26 -4.83 119.30 133.80 9pcy s MET 57 Ca 0.43 2.24 -0.40 0.00 -1.25 0.00 0.00 55.69 56.71 9pcy s MET 57 Cb -0.19 -3.88 -0.16 0.00 2.84 0.00 0.00 34.83 33.45 9pcy s MET 57 CO 0.22 -0.81 1.69 -2.30 -0.65 0.00 0.00 175.02 173.16 9pcy n PRO 58 N 6.67 1.15 -0.38 4.11 -0.02 -1.26 -4.65 135.00 140.62 9pcy n PRO 58 Ca 0.17 0.42 0.31 0.00 -2.02 0.00 0.00 63.50 62.38 9pcy n PRO 58 Cb 0.42 -2.10 0.58 0.00 -0.02 0.00 0.00 33.50 32.38 9pcy n PRO 58 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 9pcy h GLU 59 N 6.82 0.14 -0.82 -0.52 4.39 -1.97 0.16 114.58 122.78 9pcy h GLU 59 Ca -0.47 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.36 9pcy h GLU 59 Cb 1.32 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 9pcy h GLU 59 CO 0.93 0.09 0.54 1.49 -1.16 0.00 0.00 179.01 180.90 9pcy h GLU 60 N 0.14 0.58 -6.19 2.33 4.81 -2.02 -3.42 114.58 110.81 9pcy h GLU 60 Ca 0.80 -0.04 -0.54 0.00 -0.13 0.00 0.00 59.36 59.45 9pcy h GLU 60 Cb 2.19 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 31.39 9pcy h GLU 60 CO -0.56 0.39 -0.54 -1.21 -0.73 0.00 0.00 179.01 176.36 9pcy s GLU 61 N -5.58 2.98 -0.03 1.92 2.02 0.56 -5.14 118.70 115.43 9pcy s GLU 61 Ca -0.09 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 9pcy s GLU 61 Cb 0.21 -2.65 0.08 0.00 0.10 0.00 0.00 34.13 31.87 9pcy s GLU 61 CO 0.78 0.45 0.71 -0.48 0.02 0.00 0.00 175.26 176.74 9pcy s LEU 62 N -3.44 -0.61 -0.81 1.80 0.05 -1.26 -4.73 118.68 109.69 9pcy s LEU 62 Ca 0.32 0.56 -0.26 0.00 0.05 0.00 0.00 54.13 54.80 9pcy s LEU 62 Cb -0.09 2.46 0.02 0.00 -2.05 0.00 0.00 46.19 46.52 9pcy s LEU 62 CO 0.25 -0.64 1.52 -0.76 -0.55 0.00 0.00 176.35 176.17 9pcy s LEU 63 N -1.45 3.27 -0.09 1.48 1.43 0.16 -4.81 118.68 118.67 9pcy s LEU 63 Ca -0.08 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 9pcy s LEU 63 Cb -0.00 -2.56 -0.28 0.00 0.03 0.00 0.00 46.19 43.38 9pcy s LEU 63 CO 0.05 -1.97 0.50 -0.55 0.23 0.00 0.00 176.35 174.61 9pcy h ASN 64 N 11.09 0.49 -2.84 2.29 7.08 -1.95 -0.04 115.58 131.69 9pcy h ASN 64 Ca -0.11 -0.94 -0.51 0.00 -3.08 0.00 0.00 56.30 51.66 9pcy h ASN 64 Cb 1.06 -0.16 -0.01 0.00 -2.08 0.00 0.00 38.32 37.13 9pcy h ASN 64 CO 1.30 1.81 -0.27 0.00 -2.08 0.00 0.00 177.43 178.19 9pcy s ALA 65 N -2.56 3.77 0.89 4.14 0.00 -1.26 -4.49 121.76 122.24 9pcy s ALA 65 Ca -0.20 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 9pcy s ALA 65 Cb 0.06 -2.06 0.13 0.00 0.00 0.00 0.00 23.12 21.25 9pcy s ALA 65 CO 0.80 0.26 1.11 -1.25 0.00 0.00 0.00 175.76 176.69 9pcy s PRO 66 N -3.68 1.28 0.00 0.00 0.04 -1.26 -3.51 135.00 127.88 9pcy s PRO 66 Ca 0.39 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.71 9pcy s PRO 66 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 9pcy s PRO 66 CO 0.31 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.40 9pcy n GLY 67 N -0.37 1.69 3.55 0.56 0.00 -0.03 -4.96 105.19 105.64 9pcy n GLY 67 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 9pcy n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9pcy n GLU 68 N 0.00 1.08 -4.49 1.61 1.02 -1.23 -4.38 120.64 114.25 9pcy n GLU 68 Ca 0.00 0.38 -0.24 0.00 -0.02 0.00 0.00 57.16 57.28 9pcy n GLU 68 Cb 0.00 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.61 9pcy n GLU 68 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 9pcy s THR 69 N -1.12 2.39 0.03 2.62 -4.23 -1.26 -0.61 115.64 113.46 9pcy s THR 69 Ca 0.60 -2.35 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 9pcy s THR 69 Cb -0.71 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 9pcy s THR 69 CO 0.59 -0.35 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.79 9pcy s TYR 70 N -2.55 0.51 0.02 3.99 5.04 0.33 -4.99 117.35 119.69 9pcy s TYR 70 Ca 0.31 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.54 9pcy s TYR 70 Cb -0.03 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 9pcy s TYR 70 CO 0.15 -0.09 -0.06 0.08 -1.34 0.00 0.00 175.55 174.29 9pcy s VAL 71 N -1.12 0.45 -0.17 3.14 1.01 -1.26 -0.41 120.40 122.04 9pcy s VAL 71 Ca -0.09 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 9pcy s VAL 71 Cb -0.08 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.88 9pcy s VAL 71 CO -0.00 -0.14 0.45 0.54 0.00 0.00 0.00 175.10 175.95 9pcy s VAL 72 N -0.75 -0.00 -0.34 2.92 0.11 -0.01 -5.01 120.40 117.32 9pcy s VAL 72 Ca -0.04 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 9pcy s VAL 72 Cb -0.06 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 9pcy s VAL 72 CO 0.00 0.01 0.16 -0.89 -3.33 0.00 0.00 175.10 171.05 9pcy s THR 73 N 0.46 4.40 -0.94 5.04 2.01 -1.26 -0.05 115.64 125.30 9pcy s THR 73 Ca -0.02 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 9pcy s THR 73 Cb -0.04 -3.38 0.17 0.00 0.01 0.00 0.00 72.50 69.26 9pcy s THR 73 CO -0.02 -0.11 1.05 -0.76 -0.69 0.00 0.00 174.62 174.10 9pcy s LEU 74 N 1.54 5.63 0.00 4.42 1.43 -0.23 -4.91 118.68 126.57 9pcy s LEU 74 Ca 0.02 -2.42 -0.03 0.00 -1.03 0.00 0.00 54.13 50.67 9pcy s LEU 74 Cb -0.18 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 9pcy s LEU 74 CO 0.05 -0.84 1.00 -0.78 0.23 0.00 0.00 176.35 176.01 9pcy h ASP 75 N 8.24 -0.10 -3.74 2.29 3.58 -1.87 0.18 116.42 125.00 9pcy h ASP 75 Ca 0.16 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.10 9pcy h ASP 75 Cb 1.01 0.03 0.02 0.00 1.72 0.00 0.00 39.33 42.10 9pcy h ASP 75 CO 1.01 -0.07 0.51 -0.89 -2.88 0.00 0.00 179.24 176.92 9pcy s THR 76 N -3.16 3.43 0.73 2.25 2.01 -1.26 -2.95 115.64 116.68 9pcy s THR 76 Ca -0.02 1.38 -0.15 0.00 0.31 0.00 0.00 61.69 63.21 9pcy s THR 76 Cb 0.00 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.67 9pcy s THR 76 CO 0.05 0.30 1.20 -0.54 -0.69 0.00 0.00 174.62 174.95 9pcy s LYS 77 N -1.20 2.16 0.00 4.92 1.02 -1.26 -4.82 119.74 120.56 9pcy s LYS 77 Ca 0.47 1.74 0.00 0.00 0.02 0.00 0.00 55.97 58.20 9pcy s LYS 77 Cb -0.33 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 9pcy s LYS 77 CO 0.41 -1.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.44 9pcy n GLY 78 N 0.35 0.35 3.31 -3.33 0.00 -0.53 -4.81 105.19 100.53 9pcy n GLY 78 Ca 0.13 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 9pcy n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 9pcy s THR 79 N -2.24 3.32 -0.30 2.61 2.01 -1.26 0.03 115.64 119.81 9pcy s THR 79 Ca 0.00 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.50 9pcy s THR 79 Cb 0.00 -2.51 0.07 0.00 0.01 0.00 0.00 72.50 70.07 9pcy s THR 79 CO 0.00 0.43 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.04 9pcy s TYR 80 N 1.42 3.38 0.01 4.92 1.51 0.20 -3.51 117.35 125.29 9pcy s TYR 80 Ca 0.05 -2.28 -0.16 0.00 -1.01 0.00 0.00 57.07 53.68 9pcy s TYR 80 Cb -0.14 -2.30 -0.06 0.00 -0.11 0.00 0.00 41.96 39.35 9pcy s TYR 80 CO -0.03 -0.87 0.44 0.45 -1.11 0.00 0.00 175.55 174.42 9pcy s SER 81 N 1.20 6.85 0.19 2.29 0.15 0.02 -0.75 113.70 123.66 9pcy s SER 81 Ca -0.03 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.64 9pcy s SER 81 Cb -0.20 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 9pcy s SER 81 CO -0.04 0.30 0.07 0.72 1.20 0.00 0.00 173.24 175.50 9pcy s PHE 82 N -1.02 1.20 0.15 3.44 -0.12 -0.07 -0.71 117.98 120.85 9pcy s PHE 82 Ca 0.25 -1.20 -0.18 0.00 -0.05 0.00 0.00 56.93 55.74 9pcy s PHE 82 Cb -0.17 -0.66 0.04 0.00 -0.63 0.00 0.00 43.02 41.60 9pcy s PHE 82 CO 0.14 -0.42 0.48 1.52 -0.05 0.00 0.00 175.22 176.89 9pcy s TYR 83 N -3.90 -0.28 -0.48 3.49 1.13 0.50 -0.39 117.35 117.43 9pcy s TYR 83 Ca 0.31 -0.02 -0.14 0.00 -1.41 0.00 0.00 57.07 55.82 9pcy s TYR 83 Cb 0.07 0.37 0.09 0.00 -1.10 0.00 0.00 41.96 41.39 9pcy s TYR 83 CO 0.08 -0.79 0.39 0.00 -2.51 0.00 0.00 175.55 172.72 9pcy h SER 85 N 8.70 -1.68 0.01 0.00 4.64 -1.87 0.78 113.55 124.12 9pcy h SER 85 Ca -0.27 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 9pcy h SER 85 Cb 1.10 0.72 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 9pcy h SER 85 CO 0.89 -0.37 0.00 -0.81 -0.87 0.00 0.00 176.83 175.67 9pcy n PRO 86 N -5.39 0.00 -0.31 4.77 -0.04 -1.26 -1.88 135.00 130.89 9pcy n PRO 86 Ca -0.01 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 9pcy n PRO 86 Cb 0.34 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.35 9pcy n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 9pcy n HIS 87 N -1.39 0.00 -0.00 0.54 8.25 0.05 -4.83 115.22 117.83 9pcy n HIS 87 Ca 0.00 -0.34 -0.10 0.00 -0.26 0.00 0.00 57.72 57.02 9pcy n HIS 87 Cb 0.00 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 9pcy n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 9pcy h GLN 88 N 0.00 0.02 -0.53 -0.41 4.15 -0.22 -0.52 115.11 117.59 9pcy h GLN 88 Ca 0.00 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 9pcy h GLN 88 Cb 1.21 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 9pcy h GLN 88 CO 0.00 0.01 0.36 0.78 -1.93 0.00 0.00 178.83 178.05 9pcy h GLY 89 N 0.02 0.33 0.26 2.39 0.00 -1.88 0.93 103.07 105.11 9pcy h GLY 89 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.29 9pcy h GLY 89 CO -0.10 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.49 9pcy n ALA 90 N -2.57 2.59 -0.84 3.60 0.00 -0.61 -4.89 120.51 117.80 9pcy n ALA 90 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.31 9pcy n ALA 90 Cb 0.44 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.64 9pcy n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 91 N 0.87 0.52 3.42 0.00 0.00 0.32 -4.97 105.19 105.35 9pcy n GLY 91 Ca 0.15 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 9pcy n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 9pcy n MET 92 N -2.84 2.94 -4.52 1.61 0.00 -0.30 -4.86 117.12 109.14 9pcy n MET 92 Ca 0.00 -3.04 -0.25 0.00 -0.00 0.00 0.00 57.70 54.41 9pcy n MET 92 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 33.22 29.66 9pcy n MET 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 9pcy s VAL 93 N 4.73 0.92 0.19 1.12 -7.23 -1.26 -1.24 120.40 117.62 9pcy s VAL 93 Ca 0.54 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 9pcy s VAL 93 Cb 0.06 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.54 9pcy s VAL 93 CO 0.06 0.00 0.98 -0.83 -0.31 0.00 0.00 175.10 174.99 9pcy s GLY 94 N -3.59 -0.05 -0.22 2.32 0.00 0.47 -4.56 107.32 101.69 9pcy s GLY 94 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 9pcy s GLY 94 CO 0.14 0.88 0.32 1.25 0.00 0.00 0.00 173.10 175.69 9pcy s LYS 95 N -2.78 0.28 -0.18 2.90 2.20 0.38 -0.90 119.74 121.65 9pcy s LYS 95 Ca 0.16 0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 56.17 9pcy s LYS 95 Cb -0.02 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.59 9pcy s LYS 95 CO 0.04 -0.61 0.02 0.54 -0.36 0.00 0.00 175.35 174.97 9pcy s VAL 96 N 2.47 4.31 -0.40 4.02 0.11 0.07 -0.75 120.40 130.23 9pcy s VAL 96 Ca 0.10 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 9pcy s VAL 96 Cb -0.15 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 9pcy s VAL 96 CO -0.14 0.46 0.28 -0.89 -3.33 0.00 0.00 175.10 171.48 9pcy s THR 97 N 0.49 5.11 -0.67 5.04 2.01 0.50 -0.63 115.64 127.49 9pcy s THR 97 Ca -0.00 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 9pcy s THR 97 Cb -0.13 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.58 9pcy s THR 97 CO 0.02 -0.28 1.11 -0.69 -0.69 0.00 0.00 174.62 174.08 9pcy s VAL 98 N 1.65 4.06 -2.00 3.82 1.01 0.10 -0.70 120.40 128.35 9pcy s VAL 98 Ca 0.04 0.14 0.32 0.00 0.00 0.00 0.00 61.98 62.48 9pcy s VAL 98 Cb -0.19 -4.76 0.90 0.00 0.00 0.00 0.00 36.38 32.33 9pcy s VAL 98 CO 0.09 -1.56 2.21 0.59 0.00 0.00 0.00 175.10 176.43