#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 4.16 -0.31 1.96 2.02 -1.26 -0.57 118.70 124.70 9pcy s GLU 2 Ca 0.00 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 55.93 9pcy s GLU 2 Cb 0.00 -3.66 0.04 0.00 0.10 0.00 0.00 34.13 30.61 9pcy s GLU 2 CO 0.00 -0.58 0.04 0.08 0.02 0.00 0.00 175.26 174.82 9pcy s VAL 3 N 2.96 3.36 -0.25 2.63 1.01 0.31 -4.57 120.40 125.86 9pcy s VAL 3 Ca 0.37 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 9pcy s VAL 3 Cb -0.15 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 9pcy s VAL 3 CO 0.08 -0.08 0.59 -0.76 0.00 0.00 0.00 175.10 174.93 9pcy s LEU 4 N 1.34 4.07 -0.55 3.92 1.43 0.37 -0.49 118.68 128.77 9pcy s LEU 4 Ca -0.03 0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 9pcy s LEU 4 Cb -0.19 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.26 9pcy s LEU 4 CO 0.00 -0.33 1.21 -0.76 0.23 0.00 0.00 176.35 176.70 9pcy s LEU 5 N 2.38 3.48 0.00 1.79 2.01 0.40 -0.73 118.68 128.01 9pcy s LEU 5 Ca 0.25 0.22 0.00 0.00 0.01 0.00 0.00 54.13 54.60 9pcy s LEU 5 Cb -0.16 -3.24 0.00 0.00 0.01 0.00 0.00 46.19 42.80 9pcy s LEU 5 CO 0.09 -1.46 0.00 0.61 1.01 0.00 0.00 176.35 176.59 9pcy n GLY 6 N 5.04 1.09 2.02 -3.19 0.00 0.99 -1.20 105.19 109.94 9pcy n GLY 6 Ca 0.10 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.10 5.59 0.00 1.61 3.41 -1.26 -4.40 113.62 118.47 9pcy n SER 7 Ca 0.00 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 9pcy n SER 7 Cb 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 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 1.88 0.81 1.56 5.00 0.00 -1.26 -4.69 105.19 108.50 9pcy n GLY 8 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 1.73 2.96 0.00 1.61 5.75 -1.26 -4.68 116.55 122.66 9pcy n ASP 9 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 9pcy n ASP 9 Cb 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 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 1.50 0.00 3.76 6.12 0.00 -1.26 -4.94 105.19 110.37 9pcy n GLY 10 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 9pcy n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 9pcy s SER 11 N -1.92 5.77 -1.31 1.61 0.15 -1.26 -3.89 113.70 112.85 9pcy s SER 11 Ca 0.00 2.62 -0.12 0.00 0.70 0.00 0.00 55.95 59.15 9pcy s SER 11 Cb 0.00 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.81 9pcy s SER 11 CO 0.00 -1.22 1.84 0.18 1.20 0.00 0.00 173.24 175.25 9pcy n LEU 12 N -0.60 6.21 -3.98 3.45 4.77 -1.26 -4.04 117.00 121.56 9pcy n LEU 12 Ca 0.08 -4.42 -0.14 0.00 -0.03 0.00 0.00 56.01 51.50 9pcy n LEU 12 Cb 0.45 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.84 9pcy n LEU 12 CO 0.52 1.05 -0.39 0.68 -1.33 0.00 0.00 177.39 177.92 9pcy s VAL 13 N 1.65 0.36 -0.21 4.08 -7.23 -1.26 -4.64 120.40 113.14 9pcy s VAL 13 Ca 0.43 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 9pcy s VAL 13 Cb 0.07 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 9pcy s VAL 13 CO -0.01 -0.11 0.59 -0.36 -0.31 0.00 0.00 175.10 174.90 9pcy s PHE 14 N -0.61 3.35 -0.40 2.82 0.08 -1.26 -0.01 117.98 121.95 9pcy s PHE 14 Ca -0.04 0.84 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 9pcy s PHE 14 Cb -0.05 -2.76 0.11 0.00 -0.57 0.00 0.00 43.02 39.75 9pcy s PHE 14 CO -0.00 -0.18 0.18 0.08 -0.10 0.00 0.00 175.22 175.19 9pcy s VAL 15 N 1.95 3.17 0.68 -0.44 1.01 0.09 -1.33 120.40 125.53 9pcy s VAL 15 Ca 0.26 -2.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 9pcy s VAL 15 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 9pcy s VAL 15 CO 0.10 -0.65 1.06 -2.16 0.00 0.00 0.00 175.10 173.45 9pcy s PRO 16 N 1.12 2.92 -0.11 2.72 0.04 -1.26 -0.47 135.00 139.96 9pcy s PRO 16 Ca 0.08 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.44 9pcy s PRO 16 Cb -0.22 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 9pcy s PRO 16 CO -0.04 -0.95 -0.16 -1.13 0.04 0.00 0.00 177.00 174.76 9pcy n SER 17 N -2.92 1.31 -4.69 6.66 3.41 -0.44 -4.86 113.62 112.09 9pcy n SER 17 Ca 0.06 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 9pcy n SER 17 Cb 0.57 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 9pcy n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 9pcy s GLU 18 N -2.00 4.15 0.22 4.33 8.01 -1.26 -0.43 118.70 131.71 9pcy s GLU 18 Ca -0.13 -0.10 -0.09 0.00 0.01 0.00 0.00 54.97 54.66 9pcy s GLU 18 Cb 0.02 -3.50 0.03 0.00 -4.31 0.00 0.00 34.13 26.37 9pcy s GLU 18 CO 0.19 0.11 0.45 1.97 0.01 0.00 0.00 175.26 178.00 9pcy n PHE 19 N 4.06 -1.73 -4.10 1.61 -1.74 -0.13 -4.95 117.46 110.49 9pcy n PHE 19 Ca -0.13 -1.03 -0.14 0.00 -0.56 0.00 0.00 57.45 55.59 9pcy n PHE 19 Cb 0.52 0.51 -0.13 0.00 1.52 0.00 0.00 39.48 41.90 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 -2.18 0.76 -0.09 5.98 0.01 -1.26 -0.45 113.70 116.47 9pcy s SER 20 Ca 0.09 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 9pcy s SER 20 Cb -0.03 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.22 9pcy s SER 20 CO 0.06 -0.10 0.26 0.54 0.41 0.00 0.00 173.24 174.41 9pcy s VAL 21 N -0.89 0.00 0.49 3.43 0.11 0.19 -4.85 120.40 118.88 9pcy s VAL 21 Ca -0.05 -0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 58.72 9pcy s VAL 21 Cb -0.07 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 9pcy s VAL 21 CO 0.00 -0.02 1.40 -2.84 -3.33 0.00 0.00 175.10 170.31 9pcy s PRO 22 N 0.05 3.49 0.13 1.54 0.02 -1.26 -0.53 135.00 138.44 9pcy s PRO 22 Ca -0.01 2.35 -0.33 0.00 0.02 0.00 0.00 61.00 63.03 9pcy s PRO 22 Cb -0.02 -2.51 -0.13 0.00 0.02 0.00 0.00 34.50 31.86 9pcy s PRO 22 CO 0.01 -0.95 1.67 0.43 -0.33 0.00 0.00 177.00 177.82 9pcy n SER 23 N -0.50 3.36 0.00 2.53 7.64 0.47 -1.14 113.62 125.98 9pcy n SER 23 Ca 0.07 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.00 9pcy n SER 23 Cb 0.43 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 3.72 0.89 3.78 0.23 0.00 0.10 -4.91 105.19 109.01 9pcy n GLY 24 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.59 3.51 -0.54 1.61 2.56 -0.29 -4.74 118.70 120.22 9pcy s GLU 25 Ca 0.00 1.60 -0.21 0.00 0.00 0.00 0.00 54.97 56.36 9pcy s GLU 25 Cb 0.00 -2.10 0.05 0.00 2.00 0.00 0.00 34.13 34.08 9pcy s GLU 25 CO 0.00 -0.72 0.79 0.15 -0.56 0.00 0.00 175.26 174.92 9pcy s LYS 26 N -3.16 3.21 0.01 4.30 3.01 -1.26 -3.18 119.74 122.67 9pcy s LYS 26 Ca 0.70 -0.63 -0.29 0.00 -1.01 0.00 0.00 55.97 54.74 9pcy s LYS 26 Cb -0.23 -4.09 -0.03 0.00 -1.01 0.00 0.00 37.83 32.46 9pcy s LYS 26 CO 0.27 -1.38 0.93 0.42 0.51 0.00 0.00 175.35 176.10 9pcy s ILE 27 N 3.29 4.85 -0.41 2.17 1.01 0.73 -0.67 121.20 132.17 9pcy s ILE 27 Ca 0.22 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.85 9pcy s ILE 27 Cb -0.16 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.15 9pcy s ILE 27 CO 0.15 0.20 0.15 -0.69 0.00 0.00 0.00 174.94 174.75 9pcy s VAL 28 N 0.83 2.70 -0.78 2.92 1.01 0.26 -0.81 120.40 126.52 9pcy s VAL 28 Ca 0.49 -2.49 -0.24 0.00 0.00 0.00 0.00 61.98 59.75 9pcy s VAL 28 Cb -0.21 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.33 9pcy s VAL 28 CO 0.27 -0.68 1.16 -0.36 0.00 0.00 0.00 175.10 175.49 9pcy s PHE 29 N 0.68 2.59 -0.20 5.22 0.08 0.31 -0.53 117.98 126.13 9pcy s PHE 29 Ca 0.12 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 9pcy s PHE 29 Cb -0.21 -4.46 -0.05 0.00 -0.57 0.00 0.00 43.02 37.73 9pcy s PHE 29 CO -0.05 -1.81 0.16 0.21 -0.10 0.00 0.00 175.22 173.63 9pcy s LYS 30 N 4.55 4.19 -0.47 0.44 2.20 0.36 -0.63 119.74 130.37 9pcy s LYS 30 Ca 0.31 -0.17 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 9pcy s LYS 30 Cb -0.10 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 9pcy s LYS 30 CO 0.06 0.25 1.78 -0.80 -0.36 0.00 0.00 175.35 176.29 9pcy s ASN 31 N 0.48 5.65 -0.15 1.43 -0.87 0.30 -0.45 114.94 121.32 9pcy s ASN 31 Ca 0.09 0.80 -0.12 0.00 -1.57 0.00 0.00 52.86 52.07 9pcy s ASN 31 Cb -0.12 -2.53 -0.07 0.00 -0.02 0.00 0.00 41.25 38.51 9pcy s ASN 31 CO -0.00 -1.99 -0.05 -1.13 -2.57 0.00 0.00 177.10 171.36 9pcy h ASN 32 N 13.60 0.00 -5.22 -1.22 -1.24 -1.43 0.23 115.58 120.31 9pcy h ASN 32 Ca -0.29 -0.14 0.10 0.00 0.71 0.00 0.00 56.30 56.68 9pcy h ASN 32 Cb 1.16 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 9pcy h ASN 32 CO 1.12 0.92 0.42 0.00 -1.29 0.00 0.00 177.43 178.60 9pcy s ALA 33 N -2.62 -1.32 -0.60 1.57 0.00 -0.56 -4.69 121.76 113.53 9pcy s ALA 33 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.46 9pcy s ALA 33 Cb 0.03 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.86 9pcy s ALA 33 CO 0.30 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.44 9pcy n GLY 34 N -0.56 0.78 3.67 0.00 0.00 -1.25 -3.82 105.19 104.01 9pcy n GLY 34 Ca -0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.04 2.06 0.58 1.61 -0.12 -1.26 -4.78 117.98 114.03 9pcy s PHE 35 Ca 0.00 1.22 -0.18 0.00 -0.05 0.00 0.00 56.93 57.92 9pcy s PHE 35 Cb 0.00 -3.19 -0.04 0.00 -0.63 0.00 0.00 43.02 39.16 9pcy s PHE 35 CO 0.00 -2.78 1.12 -1.25 -0.05 0.00 0.00 175.22 172.27 9pcy s PRO 36 N -4.85 3.20 0.05 1.99 0.04 -1.26 -5.02 135.00 129.16 9pcy s PRO 36 Ca 0.65 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 9pcy s PRO 36 Cb -0.20 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 9pcy s PRO 36 CO 0.58 -0.96 0.13 -1.01 0.04 0.00 0.00 177.00 175.78 9pcy s HIS 37 N -1.93 0.19 0.34 0.56 3.76 -0.33 -4.83 115.29 113.06 9pcy s HIS 37 Ca 0.71 -0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 54.93 9pcy s HIS 37 Cb -0.23 -0.12 0.04 0.00 1.11 0.00 0.00 32.58 33.37 9pcy s HIS 37 CO 0.31 -0.43 0.71 0.54 -0.85 0.00 0.00 174.74 175.02 9pcy s ASN 38 N -2.42 0.01 -0.05 1.40 2.20 -1.26 0.08 114.94 114.90 9pcy s ASN 38 Ca -0.01 -1.01 -0.01 0.00 -0.94 0.00 0.00 52.86 50.89 9pcy s ASN 38 Cb 0.02 0.78 0.03 0.00 -2.00 0.00 0.00 41.25 40.07 9pcy s ASN 38 CO -0.07 -1.51 0.03 -0.69 -2.94 0.00 0.00 177.10 171.92 9pcy s VAL 39 N -2.98 0.11 -0.10 3.54 1.01 -1.26 -4.09 120.40 116.63 9pcy s VAL 39 Ca 0.16 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.44 9pcy s VAL 39 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 9pcy s VAL 39 CO 0.11 0.21 -0.19 -0.69 0.00 0.00 0.00 175.10 174.53 9pcy s VAL 40 N 1.96 2.51 -0.16 2.92 1.01 0.25 -0.78 120.40 128.12 9pcy s VAL 40 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 9pcy s VAL 40 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 9pcy s VAL 40 CO -0.04 0.55 0.26 -0.36 0.00 0.00 0.00 175.10 175.52 9pcy s PHE 41 N 0.15 3.47 -0.35 5.22 0.40 -1.26 -0.51 117.98 125.10 9pcy s PHE 41 Ca -0.10 0.57 -0.28 0.00 -0.60 0.00 0.00 56.93 56.51 9pcy s PHE 41 Cb -0.16 -2.28 -0.02 0.00 0.51 0.00 0.00 43.02 41.07 9pcy s PHE 41 CO 0.06 0.30 1.86 0.34 0.70 0.00 0.00 175.22 178.48 9pcy s ASP 42 N 0.28 5.76 0.51 1.36 2.15 0.25 -4.86 116.67 122.12 9pcy s ASP 42 Ca 0.15 1.27 0.34 0.00 0.43 0.00 0.00 52.55 54.74 9pcy s ASP 42 Cb -0.13 -2.52 1.48 0.00 -0.30 0.00 0.00 42.92 41.45 9pcy s ASP 42 CO 0.03 -1.82 1.79 1.05 -0.17 0.00 0.00 175.17 176.05 9pcy h GLU 43 N 13.43 0.07 0.00 4.34 -0.00 -1.96 0.20 114.58 130.67 9pcy h GLU 43 Ca -0.33 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 58.98 9pcy h GLU 43 Cb 1.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.91 9pcy h GLU 43 CO 1.04 0.05 -0.19 0.22 -0.00 0.00 0.00 179.01 180.13 9pcy h ASP 44 N 0.07 0.00 -2.12 3.06 3.58 -1.97 -3.37 116.42 115.67 9pcy h ASP 44 Ca 0.59 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.46 9pcy h ASP 44 Cb 2.19 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 42.83 9pcy h ASP 44 CO -0.07 0.19 -0.82 -0.62 -2.88 0.00 0.00 179.24 175.03 9pcy n GLU 45 N -3.22 1.87 -3.64 0.28 1.02 0.72 -5.03 120.64 112.64 9pcy n GLU 45 Ca 0.02 -4.10 -0.12 0.00 -0.02 0.00 0.00 57.16 52.94 9pcy n GLU 45 Cb 0.51 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.26 0.06 -0.15 -3.67 -4.36 -1.23 -1.00 121.20 108.59 9pcy s ILE 46 Ca 0.39 -0.50 -0.32 0.00 -0.26 0.00 0.00 60.65 59.96 9pcy s ILE 46 Cb 0.19 -1.06 -0.10 0.00 1.25 0.00 0.00 42.46 42.74 9pcy s ILE 46 CO -0.06 -0.27 2.04 -2.65 0.24 0.00 0.00 174.94 174.23 9pcy n PRO 47 N 0.14 2.03 -1.51 0.37 -0.02 -1.26 -4.84 135.00 129.90 9pcy n PRO 47 Ca -0.17 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 9pcy n PRO 47 Cb 0.62 -2.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 9pcy n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 9pcy n ALA 48 N 8.70 1.16 0.00 3.55 0.00 -1.26 -1.07 120.51 131.59 9pcy n ALA 48 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.41 9pcy n ALA 48 Cb 0.34 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.03 9pcy n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 49 N 6.24 2.12 3.59 0.00 0.00 -1.26 -5.09 105.19 110.79 9pcy n GLY 49 Ca 0.39 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 9pcy n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9pcy s VAL 50 N -0.09 3.90 -0.30 1.61 1.01 -0.23 -4.93 120.40 121.37 9pcy s VAL 50 Ca 0.00 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 9pcy s VAL 50 Cb 0.00 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 9pcy s VAL 50 CO 0.00 -1.04 2.26 -0.67 0.00 0.00 0.00 175.10 175.65 9pcy n ASP 51 N 8.99 2.84 -0.33 3.32 2.03 -1.26 -4.84 116.55 127.30 9pcy n ASP 51 Ca 0.13 0.11 0.18 0.00 0.52 0.00 0.00 54.79 55.73 9pcy n ASP 51 Cb 0.49 -1.50 0.41 0.00 -0.72 0.00 0.00 41.12 39.80 9pcy n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 9pcy h ALA 52 N 15.36 1.92 -0.10 -1.67 0.00 -1.93 0.84 119.26 133.68 9pcy h ALA 52 Ca -0.35 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.67 9pcy h ALA 52 Cb 1.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 9pcy h ALA 52 CO 1.01 -0.33 0.09 0.28 0.00 0.00 0.00 179.25 180.30 9pcy h VAL 53 N 0.57 0.67 0.18 0.00 2.07 -1.88 0.22 116.25 118.08 9pcy h VAL 53 Ca 0.60 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.83 9pcy h VAL 53 Cb 1.21 0.93 0.02 0.00 -1.52 0.00 0.00 31.29 31.94 9pcy h VAL 53 CO -0.38 0.00 -1.37 0.11 0.02 0.00 0.00 177.57 175.96 9pcy h LYS 54 N 0.00 0.39 0.04 1.57 1.79 -1.21 -3.38 116.57 115.77 9pcy h LYS 54 Ca 0.05 -0.66 -0.09 0.00 -2.18 0.00 0.00 60.65 57.76 9pcy h LYS 54 Cb 0.22 0.25 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 9pcy h LYS 54 CO -0.00 1.32 -0.40 -0.84 -1.08 0.00 0.00 179.45 178.45 9pcy h ILE 55 N -0.09 1.58 -3.10 1.86 3.07 -1.37 -3.46 117.51 116.01 9pcy h ILE 55 Ca -0.26 -2.23 -0.54 0.00 1.55 0.00 0.00 64.86 63.38 9pcy h ILE 55 Cb 1.94 3.03 0.00 0.00 -0.27 0.00 0.00 36.82 41.52 9pcy h ILE 55 CO 0.18 0.61 0.65 -0.44 -1.05 0.00 0.00 178.15 178.10 9pcy s SER 56 N -6.53 7.01 0.22 2.16 0.01 0.72 -4.87 113.70 112.41 9pcy s SER 56 Ca -0.16 2.03 -0.30 0.00 1.31 0.00 0.00 55.95 58.83 9pcy s SER 56 Cb 0.00 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 9pcy s SER 56 CO 0.76 -0.55 1.44 -0.04 0.41 0.00 0.00 173.24 175.26 9pcy s MET 57 N 1.48 4.28 -0.06 12.44 -1.94 0.04 -4.78 119.30 130.76 9pcy s MET 57 Ca 0.60 2.26 -0.30 0.00 -1.71 0.00 0.00 55.69 56.54 9pcy s MET 57 Cb -0.30 -3.14 -0.08 0.00 2.01 0.00 0.00 34.83 33.32 9pcy s MET 57 CO 0.28 -0.43 2.06 -0.35 -0.01 0.00 0.00 175.02 176.57 9pcy n PRO 58 N 2.76 2.51 -0.16 2.03 -0.04 -1.26 -4.66 135.00 136.19 9pcy n PRO 58 Ca 0.08 0.86 0.04 0.00 -0.04 0.00 0.00 63.50 64.44 9pcy n PRO 58 Cb 0.40 -3.07 0.08 0.00 -0.04 0.00 0.00 33.50 30.88 9pcy n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 9pcy n GLU 59 N 7.93 -0.04 -0.21 0.54 4.71 -1.26 0.07 120.64 132.38 9pcy n GLU 59 Ca 0.24 0.67 -0.01 0.00 -0.01 0.00 0.00 57.16 58.05 9pcy n GLU 59 Cb 0.41 -1.03 0.21 0.00 -1.01 0.00 0.00 31.44 30.03 9pcy n GLU 59 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 9pcy h GLU 60 N 0.00 0.99 -6.63 3.49 4.22 -2.03 -3.43 114.58 111.19 9pcy h GLU 60 Ca 0.23 -0.10 -0.51 0.00 0.08 0.00 0.00 59.36 59.06 9pcy h GLU 60 Cb 0.39 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 9pcy h GLU 60 CO -0.44 0.72 0.18 -1.21 -2.18 0.00 0.00 179.01 176.08 9pcy s GLU 61 N -5.69 4.40 -0.06 1.92 2.02 0.11 -5.06 118.70 116.34 9pcy s GLU 61 Ca -0.11 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.62 9pcy s GLU 61 Cb 0.17 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.52 9pcy s GLU 61 CO 0.79 0.41 0.66 -0.48 0.02 0.00 0.00 175.26 176.67 9pcy s LEU 62 N -1.80 -0.58 -0.57 1.80 0.05 -1.26 -4.72 118.68 111.59 9pcy s LEU 62 Ca 0.43 0.71 -0.28 0.00 0.05 0.00 0.00 54.13 55.04 9pcy s LEU 62 Cb -0.19 2.47 0.03 0.00 -2.05 0.00 0.00 46.19 46.45 9pcy s LEU 62 CO 0.23 -0.59 1.25 -0.76 -0.55 0.00 0.00 176.35 175.93 9pcy s LEU 63 N -1.14 3.44 -0.47 1.48 1.43 0.11 -4.86 118.68 118.67 9pcy s LEU 63 Ca -0.11 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 9pcy s LEU 63 Cb -0.00 -3.15 0.44 0.00 0.03 0.00 0.00 46.19 43.50 9pcy s LEU 63 CO 0.09 -1.53 1.51 -3.20 0.23 0.00 0.00 176.35 173.45 9pcy n ASN 64 N 8.71 5.96 -3.50 2.29 5.15 -1.26 -1.18 115.26 131.43 9pcy n ASN 64 Ca 0.10 -3.77 -0.12 0.00 -0.60 0.00 0.00 54.58 50.19 9pcy n ASN 64 Cb 0.49 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.10 9pcy n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy s ALA 65 N -3.70 -1.42 0.88 5.20 0.00 -1.26 -4.91 121.76 116.55 9pcy s ALA 65 Ca 0.55 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 9pcy s ALA 65 Cb 0.44 0.69 0.12 0.00 0.00 0.00 0.00 23.12 24.37 9pcy s ALA 65 CO -0.04 -0.66 1.11 -1.25 0.00 0.00 0.00 175.76 174.92 9pcy s PRO 66 N -3.32 1.38 0.00 0.00 0.04 -1.26 -4.10 135.00 127.73 9pcy s PRO 66 Ca -0.01 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.51 9pcy s PRO 66 Cb -0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 9pcy s PRO 66 CO -0.09 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.29 9pcy n GLY 67 N -1.95 1.05 3.51 0.56 0.00 0.81 -4.93 105.19 104.25 9pcy n GLY 67 Ca 0.07 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.53 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 0.33 -4.83 1.61 1.02 -1.26 -4.38 120.64 113.14 9pcy n GLU 68 Ca 0.00 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 9pcy n GLU 68 Cb 0.00 -1.59 -0.16 0.00 -0.02 0.00 0.00 31.44 29.67 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 -0.04 2.34 -0.45 2.62 -4.23 -1.26 -0.54 115.64 114.08 9pcy s THR 69 Ca 0.85 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 9pcy s THR 69 Cb -1.13 -1.94 0.05 0.00 1.34 0.00 0.00 72.50 70.82 9pcy s THR 69 CO 0.54 0.54 0.35 -0.47 -0.54 0.00 0.00 174.62 175.05 9pcy s TYR 70 N 0.60 3.24 -0.12 3.99 5.04 0.19 -4.94 117.35 125.36 9pcy s TYR 70 Ca -0.11 -0.80 -0.07 0.00 -2.44 0.00 0.00 57.07 53.65 9pcy s TYR 70 Cb -0.16 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 9pcy s TYR 70 CO 0.03 -0.71 0.14 0.08 -1.34 0.00 0.00 175.55 173.75 9pcy s VAL 71 N 1.65 5.49 -0.15 3.14 1.01 -1.26 -0.53 120.40 129.76 9pcy s VAL 71 Ca 0.04 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 9pcy s VAL 71 Cb -0.22 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.81 9pcy s VAL 71 CO 0.08 0.61 0.37 0.54 0.00 0.00 0.00 175.10 176.70 9pcy s VAL 72 N -1.03 -0.01 -0.50 2.92 0.11 0.01 -4.99 120.40 116.90 9pcy s VAL 72 Ca 0.15 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.13 9pcy s VAL 72 Cb -0.12 -0.54 0.12 0.00 -1.53 0.00 0.00 36.38 34.31 9pcy s VAL 72 CO 0.04 0.02 0.41 -0.89 -3.33 0.00 0.00 175.10 171.36 9pcy s THR 73 N 0.78 4.69 -0.65 5.04 2.01 -1.26 -0.19 115.64 126.06 9pcy s THR 73 Ca -0.05 -1.62 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 9pcy s THR 73 Cb -0.06 -4.03 0.08 0.00 0.01 0.00 0.00 72.50 68.51 9pcy s THR 73 CO -0.06 -0.80 0.89 -0.76 -0.69 0.00 0.00 174.62 173.20 9pcy s LEU 74 N 1.48 4.72 -0.11 4.42 1.43 -1.19 -4.89 118.68 124.54 9pcy s LEU 74 Ca 0.04 -1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 51.84 9pcy s LEU 74 Cb -0.28 -2.38 -0.12 0.00 0.03 0.00 0.00 46.19 43.44 9pcy s LEU 74 CO 0.01 -1.33 0.42 -0.78 0.23 0.00 0.00 176.35 174.90 9pcy h ASP 75 N 9.43 -0.03 -2.52 2.29 3.58 -1.89 0.33 116.42 127.61 9pcy h ASP 75 Ca -0.28 -0.44 -0.54 0.00 0.42 0.00 0.00 57.03 56.18 9pcy h ASP 75 Cb 1.07 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.13 9pcy h ASP 75 CO 1.16 0.68 1.15 -0.89 -2.88 0.00 0.00 179.24 178.46 9pcy s THR 76 N -2.05 3.38 0.87 2.25 2.01 -1.26 -4.02 115.64 116.82 9pcy s THR 76 Ca -0.09 0.45 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 9pcy s THR 76 Cb -0.01 -3.30 0.12 0.00 0.01 0.00 0.00 72.50 69.31 9pcy s THR 76 CO 0.34 -0.05 1.11 -1.59 -0.69 0.00 0.00 174.62 173.73 9pcy s LYS 77 N 4.28 1.42 0.00 4.92 0.00 -1.26 -4.87 119.74 124.23 9pcy s LYS 77 Ca 0.79 1.22 0.00 0.00 0.00 0.00 0.00 55.97 57.99 9pcy s LYS 77 Cb -0.36 -1.80 0.00 0.00 0.00 0.00 0.00 37.83 35.67 9pcy s LYS 77 CO 0.34 -2.24 0.00 0.41 0.00 0.00 0.00 175.35 173.85 9pcy n GLY 78 N -0.55 1.23 3.54 0.59 0.00 0.33 -4.73 105.19 105.59 9pcy n GLY 78 Ca 0.09 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.12 5.12 -0.36 2.61 2.01 -1.26 -0.16 115.64 122.47 9pcy s THR 79 Ca 0.00 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 9pcy s THR 79 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.65 9pcy s THR 79 CO 0.00 -0.16 0.18 -0.31 -0.69 0.00 0.00 174.62 173.64 9pcy s TYR 80 N 2.12 3.23 0.05 4.92 1.51 0.24 -3.74 117.35 125.68 9pcy s TYR 80 Ca 0.13 -0.96 -0.21 0.00 -1.01 0.00 0.00 57.07 55.02 9pcy s TYR 80 Cb -0.16 -2.41 -0.06 0.00 -0.11 0.00 0.00 41.96 39.22 9pcy s TYR 80 CO 0.12 -0.63 0.62 -1.12 -1.11 0.00 0.00 175.55 173.44 9pcy s SER 81 N 1.54 7.09 0.16 2.29 0.01 -0.17 -0.58 113.70 124.05 9pcy s SER 81 Ca 0.02 1.29 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 9pcy s SER 81 Cb -0.19 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 9pcy s SER 81 CO 0.06 0.18 0.11 0.72 0.41 0.00 0.00 173.24 174.72 9pcy s PHE 82 N -0.67 0.92 0.14 2.43 -0.12 0.12 -0.58 117.98 120.22 9pcy s PHE 82 Ca 0.32 -1.24 -0.17 0.00 -0.05 0.00 0.00 56.93 55.79 9pcy s PHE 82 Cb -0.20 -0.46 0.04 0.00 -0.63 0.00 0.00 43.02 41.77 9pcy s PHE 82 CO 0.20 -0.59 0.43 1.52 -0.05 0.00 0.00 175.22 176.72 9pcy s TYR 83 N -4.08 -0.22 -0.52 3.49 -0.85 0.33 -0.67 117.35 114.84 9pcy s TYR 83 Ca 0.29 -0.09 -0.12 0.00 -0.52 0.00 0.00 57.07 56.63 9pcy s TYR 83 Cb 0.07 0.29 0.13 0.00 0.38 0.00 0.00 41.96 42.83 9pcy s TYR 83 CO 0.06 -0.73 0.42 0.00 -1.52 0.00 0.00 175.55 173.78 9pcy n SER 85 N 4.95 -0.51 0.00 0.00 7.64 -1.26 -0.46 113.62 123.98 9pcy n SER 85 Ca -0.09 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.86 9pcy n SER 85 Cb 0.41 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 9pcy n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 9pcy n PRO 86 N -4.21 0.01 -0.19 1.43 -0.04 -1.26 -1.77 135.00 128.96 9pcy n PRO 86 Ca 0.01 0.34 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 9pcy n PRO 86 Cb 0.13 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.35 0.00 -0.30 0.54 8.25 0.39 -4.84 115.22 117.90 9pcy n HIS 87 Ca 0.00 -0.16 -0.04 0.00 -0.26 0.00 0.00 57.72 57.26 9pcy n HIS 87 Cb 0.01 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.15 9pcy n HIS 87 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 9pcy h GLN 88 N 0.00 1.13 -0.15 -0.41 3.07 -0.13 -0.38 115.11 118.25 9pcy h GLN 88 Ca 0.00 -0.11 0.04 0.00 0.09 0.00 0.00 58.65 58.67 9pcy h GLN 88 Cb 1.09 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 9pcy h GLN 88 CO 0.00 0.80 0.11 0.78 0.09 0.00 0.00 178.83 180.61 9pcy h GLY 89 N 1.14 0.00 -1.53 0.06 0.00 -1.87 0.71 103.07 101.57 9pcy h GLY 89 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 9pcy h GLY 89 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.49 9pcy n ALA 90 N -2.54 2.58 -1.35 3.60 0.00 -0.32 -4.90 120.51 117.58 9pcy n ALA 90 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 9pcy n ALA 90 Cb 0.23 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 0.95 0.70 3.58 0.00 0.00 0.24 -4.94 105.19 105.71 9pcy n GLY 91 Ca 0.13 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 9pcy n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 9pcy s MET 92 N -2.83 3.80 0.40 1.61 -2.45 -0.30 -4.88 119.30 114.64 9pcy s MET 92 Ca 0.00 -1.86 0.05 0.00 -1.25 0.00 0.00 55.69 52.63 9pcy s MET 92 Cb 0.00 -5.50 -0.06 0.00 1.25 0.00 0.00 34.83 30.52 9pcy s MET 92 CO 0.00 -2.45 0.03 0.14 1.05 0.00 0.00 175.02 173.80 9pcy s VAL 93 N 5.02 1.51 0.21 10.11 -7.23 -1.26 -1.28 120.40 127.48 9pcy s VAL 93 Ca 0.55 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.51 9pcy s VAL 93 Cb 0.03 -2.77 0.07 0.00 0.56 0.00 0.00 36.38 34.28 9pcy s VAL 93 CO 0.08 0.00 1.00 -0.83 -0.31 0.00 0.00 175.10 175.04 9pcy s GLY 94 N -3.65 0.15 -0.26 2.32 0.00 0.16 -4.64 107.32 101.39 9pcy s GLY 94 Ca 0.31 -0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 9pcy s GLY 94 CO 0.15 2.05 0.64 1.25 0.00 0.00 0.00 173.10 177.19 9pcy s LYS 95 N -2.20 0.66 -0.12 2.90 2.20 0.43 -0.70 119.74 122.90 9pcy s LYS 95 Ca 0.21 1.14 0.03 0.00 -0.36 0.00 0.00 55.97 56.99 9pcy s LYS 95 Cb -0.03 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 9pcy s LYS 95 CO 0.06 -0.15 -0.22 0.54 -0.36 0.00 0.00 175.35 175.22 9pcy s VAL 96 N 1.53 2.18 -0.63 4.02 0.11 0.26 -0.96 120.40 126.91 9pcy s VAL 96 Ca -0.09 -0.96 -0.19 0.00 -2.93 0.00 0.00 61.98 57.81 9pcy s VAL 96 Cb -0.06 -1.86 0.11 0.00 -1.53 0.00 0.00 36.38 33.05 9pcy s VAL 96 CO -0.18 0.55 0.75 -0.89 -3.33 0.00 0.00 175.10 172.00 9pcy s THR 97 N 0.51 4.83 -0.37 5.04 2.01 0.40 -0.59 115.64 127.47 9pcy s THR 97 Ca -0.14 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 9pcy s THR 97 Cb -0.17 -4.52 0.02 0.00 0.01 0.00 0.00 72.50 67.84 9pcy s THR 97 CO 0.05 -1.17 1.08 -0.69 -0.69 0.00 0.00 174.62 173.21 9pcy s VAL 98 N 2.61 4.42 -2.97 3.82 1.01 0.77 -0.63 120.40 129.42 9pcy s VAL 98 Ca 0.14 1.54 0.24 0.00 0.00 0.00 0.00 61.98 63.89 9pcy s VAL 98 Cb -0.22 -4.47 0.19 0.00 0.00 0.00 0.00 36.38 31.88 9pcy s VAL 98 CO 0.04 -0.65 1.25 0.59 0.00 0.00 0.00 175.10 176.34