#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 3.80 -0.43 3.23 2.12 -1.26 -0.64 118.70 125.53 9pcy s GLU 2 Ca 0.00 -1.74 -0.29 0.00 0.36 0.00 0.00 54.97 53.30 9pcy s GLU 2 Cb 0.00 -5.30 0.02 0.00 0.26 0.00 0.00 34.13 29.11 9pcy s GLU 2 CO 0.00 -2.08 1.20 0.08 -0.54 0.00 0.00 175.26 173.92 9pcy s VAL 3 N 3.82 4.17 -0.14 3.70 1.01 0.82 -4.79 120.40 128.98 9pcy s VAL 3 Ca 0.46 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 9pcy s VAL 3 Cb 0.00 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 9pcy s VAL 3 CO -0.03 -0.84 1.04 -0.76 0.00 0.00 0.00 175.10 174.51 9pcy s LEU 4 N 4.56 4.20 -0.53 3.92 1.43 0.48 -0.68 118.68 132.06 9pcy s LEU 4 Ca 0.51 1.51 -0.26 0.00 -1.03 0.00 0.00 54.13 54.86 9pcy s LEU 4 Cb -0.10 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.60 9pcy s LEU 4 CO 0.29 -0.54 1.00 -0.76 0.23 0.00 0.00 176.35 176.58 9pcy s LEU 5 N 2.45 3.91 0.00 1.79 1.43 0.57 -0.51 118.68 128.31 9pcy s LEU 5 Ca 0.48 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 9pcy s LEU 5 Cb -0.18 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.99 9pcy s LEU 5 CO 0.14 -1.23 0.00 0.61 0.23 0.00 0.00 176.35 176.10 9pcy n GLY 6 N 5.03 -1.65 3.85 -3.19 0.00 0.36 -1.97 105.19 107.63 9pcy n GLY 6 Ca 0.05 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 9pcy n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 9pcy s SER 7 N -0.70 6.25 0.39 1.61 1.04 -0.44 -3.60 113.70 118.25 9pcy s SER 7 Ca 0.00 1.53 0.22 0.00 0.48 0.00 0.00 55.95 58.18 9pcy s SER 7 Cb 0.00 -2.49 1.25 0.00 0.10 0.00 0.00 66.02 64.87 9pcy s SER 7 CO 0.00 -0.85 1.66 1.23 0.98 0.00 0.00 173.24 176.26 9pcy h GLY 8 N 0.17 1.66 0.77 7.32 0.00 -1.95 0.25 103.07 111.29 9pcy h GLY 8 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.70 9pcy h GLY 8 CO 0.61 -0.43 0.00 2.09 0.00 0.00 0.00 176.54 178.81 9pcy n ASP 9 N -4.86 0.00 0.00 0.19 5.75 -1.26 -4.87 116.55 111.50 9pcy n ASP 9 Ca 0.33 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 9pcy n ASP 9 Cb 1.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.26 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 0.50 1.39 3.74 6.12 0.00 0.88 -5.03 105.19 112.79 9pcy n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.82 6.42 -1.27 1.61 0.15 -1.24 -4.36 113.70 112.19 9pcy s SER 11 Ca 0.00 2.89 -0.13 0.00 0.70 0.00 0.00 55.95 59.40 9pcy s SER 11 Cb 0.00 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 9pcy s SER 11 CO 0.00 -0.89 2.33 0.18 1.20 0.00 0.00 173.24 176.06 9pcy n LEU 12 N 2.49 6.44 -4.15 3.45 4.77 -1.26 -1.32 117.00 127.42 9pcy n LEU 12 Ca 0.09 -3.74 -0.18 0.00 -0.03 0.00 0.00 56.01 52.15 9pcy n LEU 12 Cb 0.38 -1.43 -0.12 0.00 -2.33 0.00 0.00 43.42 39.91 9pcy n LEU 12 CO 0.63 0.95 -0.45 0.68 -1.33 0.00 0.00 177.39 177.87 9pcy s VAL 13 N 3.37 1.04 0.18 4.08 -7.23 -1.26 -4.02 120.40 116.55 9pcy s VAL 13 Ca 0.54 -1.18 -0.28 0.00 -1.81 0.00 0.00 61.98 59.25 9pcy s VAL 13 Cb 0.14 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 36.01 9pcy s VAL 13 CO -0.03 -0.17 0.86 -0.36 -0.31 0.00 0.00 175.10 175.09 9pcy s PHE 14 N -1.15 3.91 -0.27 2.82 0.40 -1.26 -0.49 117.98 121.95 9pcy s PHE 14 Ca -0.02 1.75 0.02 0.00 -0.60 0.00 0.00 56.93 58.08 9pcy s PHE 14 Cb -0.09 -2.89 0.07 0.00 0.51 0.00 0.00 43.02 40.61 9pcy s PHE 14 CO 0.02 0.43 -0.03 0.08 0.70 0.00 0.00 175.22 176.41 9pcy s VAL 15 N -0.90 1.77 0.64 -0.44 1.01 0.33 -1.26 120.40 121.55 9pcy s VAL 15 Ca 0.40 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 9pcy s VAL 15 Cb -0.24 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 9pcy s VAL 15 CO 0.29 -0.24 1.10 -2.84 0.00 0.00 0.00 175.10 173.41 9pcy s PRO 16 N 1.25 2.91 -0.07 2.72 0.02 -1.26 -0.39 135.00 140.19 9pcy s PRO 16 Ca -0.02 1.37 -0.23 0.00 0.02 0.00 0.00 61.00 62.15 9pcy s PRO 16 Cb -0.19 -1.97 -0.30 0.00 0.02 0.00 0.00 34.50 32.06 9pcy s PRO 16 CO -0.08 -1.16 0.86 0.77 -0.33 0.00 0.00 177.00 177.06 9pcy h SER 17 N 0.16 0.39 -4.30 2.53 0.02 -1.53 -3.46 113.55 107.35 9pcy h SER 17 Ca -0.47 -0.96 -0.53 0.00 -0.84 0.00 0.00 61.79 58.99 9pcy h SER 17 Cb 1.24 -0.13 -0.27 0.00 0.14 0.00 0.00 62.40 63.38 9pcy h SER 17 CO 0.55 1.34 -0.83 -1.83 -1.14 0.00 0.00 176.83 174.92 9pcy s GLU 18 N -2.39 1.29 0.19 3.45 -1.05 -1.26 -0.68 118.70 118.24 9pcy s GLU 18 Ca -0.15 -0.73 -0.23 0.00 -0.15 0.00 0.00 54.97 53.72 9pcy s GLU 18 Cb 0.00 -1.30 0.07 0.00 -0.44 0.00 0.00 34.13 32.47 9pcy s GLU 18 CO 0.81 0.34 0.99 -0.59 0.95 0.00 0.00 175.26 177.75 9pcy s PHE 19 N -0.60 0.00 0.01 4.83 -0.71 -1.11 -4.97 117.98 115.43 9pcy s PHE 19 Ca 0.06 -0.40 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 9pcy s PHE 19 Cb -0.07 0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 42.42 9pcy s PHE 19 CO 0.00 -0.95 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.73 9pcy s SER 20 N -3.20 0.87 0.03 1.98 0.01 -1.26 -0.89 113.70 111.24 9pcy s SER 20 Ca 0.18 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.19 9pcy s SER 20 Cb -0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 9pcy s SER 20 CO 0.05 0.00 -0.06 0.68 0.41 0.00 0.00 173.24 174.32 9pcy s VAL 21 N -0.54 0.35 0.49 3.43 -7.23 0.38 -4.90 120.40 112.38 9pcy s VAL 21 Ca -0.01 -0.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.99 9pcy s VAL 21 Cb -0.05 -0.45 -0.07 0.00 0.56 0.00 0.00 36.38 36.37 9pcy s VAL 21 CO 0.00 -0.41 1.11 -2.16 -0.31 0.00 0.00 175.10 173.33 9pcy s PRO 22 N -1.46 3.66 -0.19 4.82 0.04 -1.26 -0.49 135.00 140.11 9pcy s PRO 22 Ca -0.12 1.58 -0.39 0.00 0.04 0.00 0.00 61.00 62.11 9pcy s PRO 22 Cb -0.10 -2.19 -0.15 0.00 0.04 0.00 0.00 34.50 32.10 9pcy s PRO 22 CO -0.00 -0.59 1.70 0.43 0.04 0.00 0.00 177.00 178.58 9pcy n SER 23 N -0.87 2.42 0.00 6.66 7.64 0.60 -1.14 113.62 128.93 9pcy n SER 23 Ca 0.09 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.04 9pcy n SER 23 Cb 0.50 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 3.97 0.22 3.76 0.23 0.00 0.20 -4.93 105.19 108.64 9pcy n GLY 24 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.98 3.72 0.09 1.61 -6.30 -0.29 -4.70 118.70 111.84 9pcy s GLU 25 Ca 0.00 2.07 -0.19 0.00 -2.50 0.00 0.00 54.97 54.36 9pcy s GLU 25 Cb 0.00 -2.54 -0.07 0.00 0.00 0.00 0.00 34.13 31.52 9pcy s GLU 25 CO 0.00 -0.67 0.57 -1.59 0.02 0.00 0.00 175.26 173.58 9pcy s LYS 26 N -2.52 4.17 -0.12 4.30 -2.85 -1.26 -3.38 119.74 118.07 9pcy s LYS 26 Ca 0.62 0.70 -0.00 0.00 -1.00 0.00 0.00 55.97 56.29 9pcy s LYS 26 Cb -0.36 -3.18 -0.02 0.00 -2.06 0.00 0.00 37.83 32.21 9pcy s LYS 26 CO 0.45 0.61 -0.11 0.42 0.10 0.00 0.00 175.35 176.82 9pcy s ILE 27 N -1.17 3.30 -0.34 3.79 1.01 0.44 -4.10 121.20 124.13 9pcy s ILE 27 Ca 0.31 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.40 9pcy s ILE 27 Cb -0.19 -2.39 0.10 0.00 0.01 0.00 0.00 42.46 39.99 9pcy s ILE 27 CO 0.19 0.53 0.05 -0.69 0.00 0.00 0.00 174.94 175.03 9pcy s VAL 28 N 0.13 2.41 -0.01 2.92 1.01 0.19 -1.08 120.40 125.97 9pcy s VAL 28 Ca -0.05 -2.23 -0.23 0.00 0.00 0.00 0.00 61.98 59.46 9pcy s VAL 28 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 9pcy s VAL 28 CO 0.04 -0.55 0.71 -0.36 0.00 0.00 0.00 175.10 174.94 9pcy s PHE 29 N 0.96 3.66 -0.05 5.22 0.08 0.24 -0.13 117.98 127.95 9pcy s PHE 29 Ca 0.09 1.33 0.02 0.00 0.12 0.00 0.00 56.93 58.48 9pcy s PHE 29 Cb -0.20 -2.78 0.02 0.00 -0.57 0.00 0.00 43.02 39.49 9pcy s PHE 29 CO -0.07 0.21 -0.09 0.21 -0.10 0.00 0.00 175.22 175.38 9pcy s LYS 30 N 0.29 1.29 -0.38 0.44 2.20 0.14 -0.33 119.74 123.39 9pcy s LYS 30 Ca 0.37 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 9pcy s LYS 30 Cb -0.19 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 9pcy s LYS 30 CO 0.20 -0.00 2.07 -0.80 -0.36 0.00 0.00 175.35 176.46 9pcy s ASN 31 N 0.70 5.31 -0.00 1.43 -0.87 0.23 -0.31 114.94 121.43 9pcy s ASN 31 Ca -0.12 1.26 -0.00 0.00 -1.57 0.00 0.00 52.86 52.42 9pcy s ASN 31 Cb -0.15 -2.52 -0.00 0.00 -0.02 0.00 0.00 41.25 38.57 9pcy s ASN 31 CO 0.02 -2.17 -0.01 -3.20 -2.57 0.00 0.00 177.10 169.17 9pcy n ASN 32 N 12.44 0.05 -4.10 -1.22 5.15 -0.83 -0.55 115.26 126.20 9pcy n ASN 32 Ca 0.28 0.07 -0.11 0.00 -0.60 0.00 0.00 54.58 54.22 9pcy n ASN 32 Cb 0.49 -0.51 -0.09 0.00 -0.53 0.00 0.00 39.78 39.15 9pcy n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy s ALA 33 N -3.00 0.79 -1.92 5.20 0.00 -1.03 -4.78 121.76 117.02 9pcy s ALA 33 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 9pcy s ALA 33 Cb 0.00 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.42 9pcy s ALA 33 CO 0.01 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.51 9pcy n GLY 34 N -0.32 1.72 3.73 0.00 0.00 -1.26 -3.92 105.19 105.14 9pcy n GLY 34 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.53 2.35 0.77 1.61 -0.12 -1.26 -4.80 117.98 114.01 9pcy s PHE 35 Ca 0.00 1.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.88 9pcy s PHE 35 Cb 0.00 -3.22 0.06 0.00 -0.63 0.00 0.00 43.02 39.23 9pcy s PHE 35 CO 0.00 -2.45 1.09 -1.25 -0.05 0.00 0.00 175.22 172.55 9pcy s PRO 36 N -5.02 2.26 0.29 1.99 0.04 -1.26 -5.13 135.00 128.17 9pcy s PRO 36 Ca 0.64 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 9pcy s PRO 36 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 9pcy s PRO 36 CO 0.56 -1.62 0.52 -1.01 0.04 0.00 0.00 177.00 175.49 9pcy s HIS 37 N -2.93 0.51 0.30 0.56 3.76 -1.11 -4.87 115.29 111.52 9pcy s HIS 37 Ca 0.61 -0.87 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 9pcy s HIS 37 Cb -0.17 0.20 0.06 0.00 1.11 0.00 0.00 32.58 33.78 9pcy s HIS 37 CO 0.56 -1.10 0.88 0.54 -0.85 0.00 0.00 174.74 174.77 9pcy s ASN 38 N -3.08 -0.01 -0.19 1.40 2.20 -1.26 -0.29 114.94 113.71 9pcy s ASN 38 Ca 0.24 -0.94 -0.03 0.00 -0.94 0.00 0.00 52.86 51.19 9pcy s ASN 38 Cb -0.01 0.71 0.06 0.00 -2.00 0.00 0.00 41.25 40.01 9pcy s ASN 38 CO 0.12 -1.41 0.04 -0.69 -2.94 0.00 0.00 177.10 172.23 9pcy s VAL 39 N -2.35 0.43 -0.13 3.54 1.01 -1.26 -4.08 120.40 117.56 9pcy s VAL 39 Ca 0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 9pcy s VAL 39 Cb -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 9pcy s VAL 39 CO 0.09 -0.21 -0.11 -0.69 0.00 0.00 0.00 175.10 174.18 9pcy s VAL 40 N 1.90 3.25 -0.08 2.92 1.01 0.46 -0.43 120.40 129.42 9pcy s VAL 40 Ca -0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 9pcy s VAL 40 Cb -0.17 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 9pcy s VAL 40 CO -0.08 0.53 0.47 -0.36 0.00 0.00 0.00 175.10 175.65 9pcy s PHE 41 N 0.23 3.57 -0.61 5.22 0.08 -1.26 -0.34 117.98 124.88 9pcy s PHE 41 Ca -0.07 0.93 -0.27 0.00 0.12 0.00 0.00 56.93 57.64 9pcy s PHE 41 Cb -0.15 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.80 9pcy s PHE 41 CO 0.05 0.29 1.73 0.34 -0.10 0.00 0.00 175.22 177.53 9pcy s ASP 42 N 0.17 5.52 0.38 1.36 -1.08 0.17 -4.87 116.67 118.32 9pcy s ASP 42 Ca 0.26 0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.85 9pcy s ASP 42 Cb -0.16 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.07 9pcy s ASP 42 CO 0.11 -2.19 1.39 -1.84 0.52 0.00 0.00 175.17 173.16 9pcy n GLU 43 N 9.11 -0.04 0.04 4.34 -0.00 -1.26 -0.42 120.64 132.42 9pcy n GLU 43 Ca 0.17 1.13 -0.19 0.00 -0.00 0.00 0.00 57.16 58.27 9pcy n GLU 43 Cb 0.51 -2.19 -0.13 0.00 -0.00 0.00 0.00 31.44 29.63 9pcy n GLU 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 9pcy h ASP 44 N 0.00 0.56 -1.46 -1.84 3.32 -1.97 -3.37 116.42 111.65 9pcy h ASP 44 Ca 0.78 -0.85 -0.72 0.00 0.02 0.00 0.00 57.03 56.26 9pcy h ASP 44 Cb 2.44 -0.18 -0.18 0.00 0.22 0.00 0.00 39.33 41.64 9pcy h ASP 44 CO -0.46 1.36 1.65 -0.62 -1.72 0.00 0.00 179.24 179.45 9pcy n GLU 45 N -4.11 4.30 -3.60 3.56 1.02 0.44 -4.86 120.64 117.39 9pcy n GLU 45 Ca -0.12 -3.56 -0.12 0.00 -0.02 0.00 0.00 57.16 53.34 9pcy n GLU 45 Cb 0.79 -2.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.68 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 -2.38 0.05 -0.30 -3.67 -4.36 -1.22 -0.88 121.20 108.43 9pcy s ILE 46 Ca 0.51 -0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 60.20 9pcy s ILE 46 Cb 0.24 -1.06 -0.07 0.00 1.25 0.00 0.00 42.46 42.82 9pcy s ILE 46 CO -0.15 -0.22 2.26 -2.65 0.24 0.00 0.00 174.94 174.42 9pcy n PRO 47 N 0.03 1.60 -0.25 0.37 -0.02 -1.26 -4.83 135.00 130.63 9pcy n PRO 47 Ca -0.17 0.38 0.17 0.00 -2.02 0.00 0.00 63.50 61.87 9pcy n PRO 47 Cb 0.62 -3.10 0.33 0.00 -0.02 0.00 0.00 33.50 31.34 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 12.08 0.57 0.06 3.55 0.00 -1.26 -0.45 120.51 135.06 9pcy n ALA 48 Ca 0.34 0.79 0.12 0.00 0.00 0.00 0.00 53.44 54.69 9pcy n ALA 48 Cb 0.42 -0.68 0.58 0.00 0.00 0.00 0.00 19.45 19.77 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 0.24 -7.31 0.00 0.00 -1.99 -3.38 103.07 90.63 9pcy h GLY 49 Ca 0.55 -0.08 -0.58 0.00 0.00 0.00 0.00 47.33 47.22 9pcy h GLY 49 CO -0.65 0.06 0.84 0.14 0.00 0.00 0.00 176.54 176.93 9pcy s VAL 50 N -5.21 3.99 -0.25 4.60 1.01 0.40 -4.97 120.40 119.97 9pcy s VAL 50 Ca -0.06 0.07 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 9pcy s VAL 50 Cb 0.18 -4.82 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 9pcy s VAL 50 CO 0.72 -1.69 2.09 -0.67 0.00 0.00 0.00 175.10 175.55 9pcy n ASP 51 N 8.65 2.71 -0.34 3.32 2.03 -1.26 -4.84 116.55 126.82 9pcy n ASP 51 Ca 0.00 0.56 0.21 0.00 0.52 0.00 0.00 54.79 56.08 9pcy n ASP 51 Cb 0.47 -1.34 0.43 0.00 -0.72 0.00 0.00 41.12 39.97 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 11.76 1.89 -0.07 -1.67 0.00 -1.92 0.82 119.26 130.07 9pcy h ALA 52 Ca -0.37 0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.72 9pcy h ALA 52 Cb 1.29 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 9pcy h ALA 52 CO 0.99 -0.43 0.06 0.28 0.00 0.00 0.00 179.25 180.15 9pcy h VAL 53 N 0.45 0.74 0.09 0.00 2.07 -1.88 0.19 116.25 117.91 9pcy h VAL 53 Ca 0.69 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 68.00 9pcy h VAL 53 Cb 1.46 0.96 0.02 0.00 -1.52 0.00 0.00 31.29 32.20 9pcy h VAL 53 CO -0.53 0.00 -0.89 0.11 0.02 0.00 0.00 177.57 176.27 9pcy h LYS 54 N 0.00 0.45 0.06 1.57 1.79 -1.20 -3.34 116.57 115.90 9pcy h LYS 54 Ca 0.03 -0.60 -0.24 0.00 -2.18 0.00 0.00 60.65 57.66 9pcy h LYS 54 Cb 0.15 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 9pcy h LYS 54 CO -0.00 1.24 -1.08 -0.84 -1.08 0.00 0.00 179.45 177.69 9pcy h ILE 55 N -0.07 1.54 -3.77 1.86 3.07 -1.48 -3.46 117.51 115.19 9pcy h ILE 55 Ca -0.14 -3.00 -0.49 0.00 1.55 0.00 0.00 64.86 62.79 9pcy h ILE 55 Cb 1.63 2.78 -0.02 0.00 -0.27 0.00 0.00 36.82 40.93 9pcy h ILE 55 CO 0.17 0.87 0.33 -0.44 -1.05 0.00 0.00 178.15 178.03 9pcy s SER 56 N -7.00 7.50 0.24 2.16 0.01 0.62 -4.87 113.70 112.37 9pcy s SER 56 Ca -0.03 1.87 -0.30 0.00 1.31 0.00 0.00 55.95 58.80 9pcy s SER 56 Cb 0.09 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 9pcy s SER 56 CO 0.86 0.08 1.14 -0.32 0.41 0.00 0.00 173.24 175.40 9pcy s MET 57 N -1.51 4.57 -0.48 12.44 1.75 0.43 -4.85 119.30 131.65 9pcy s MET 57 Ca 0.44 1.83 -0.35 0.00 -1.25 0.00 0.00 55.69 56.36 9pcy s MET 57 Cb -0.23 -3.21 -0.13 0.00 2.84 0.00 0.00 34.83 34.09 9pcy s MET 57 CO 0.28 0.08 2.29 -0.35 -0.65 0.00 0.00 175.02 176.67 9pcy n PRO 58 N 1.75 0.77 -0.27 4.11 -0.04 -1.26 -4.58 135.00 135.49 9pcy n PRO 58 Ca 0.01 0.17 0.18 0.00 -0.04 0.00 0.00 63.50 63.82 9pcy n PRO 58 Cb 0.45 -2.31 0.34 0.00 -0.04 0.00 0.00 33.50 31.94 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 8.25 -0.06 0.09 0.54 4.71 -1.26 -0.06 120.64 132.85 9pcy n GLU 59 Ca 0.46 1.15 -0.06 0.00 -0.01 0.00 0.00 57.16 58.70 9pcy n GLU 59 Cb 0.20 -1.93 0.07 0.00 -1.01 0.00 0.00 31.44 28.77 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 0.19 -7.21 3.49 4.22 -2.04 -3.45 114.58 109.78 9pcy h GLU 60 Ca 0.57 -0.16 -0.48 0.00 0.08 0.00 0.00 59.36 59.37 9pcy h GLU 60 Cb 1.36 0.04 0.06 0.00 0.50 0.00 0.00 28.75 30.71 9pcy h GLU 60 CO -0.69 0.83 0.23 -1.21 -2.18 0.00 0.00 179.01 175.99 9pcy s GLU 61 N -3.50 2.81 0.16 1.92 2.02 0.91 -5.09 118.70 117.92 9pcy s GLU 61 Ca -0.03 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 9pcy s GLU 61 Cb 0.11 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 32.19 9pcy s GLU 61 CO 0.81 -0.84 0.54 -0.48 0.02 0.00 0.00 175.26 175.30 9pcy s LEU 62 N -5.10 -0.20 -0.48 1.80 0.05 -1.26 -4.81 118.68 108.68 9pcy s LEU 62 Ca 0.56 -0.16 -0.24 0.00 0.05 0.00 0.00 54.13 54.33 9pcy s LEU 62 Cb -0.11 2.33 0.03 0.00 -2.05 0.00 0.00 46.19 46.39 9pcy s LEU 62 CO 0.46 -0.95 0.87 -0.76 -0.55 0.00 0.00 176.35 175.42 9pcy s LEU 63 N -2.78 4.14 -0.12 1.48 1.43 0.61 -4.95 118.68 118.48 9pcy s LEU 63 Ca 0.03 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 9pcy s LEU 63 Cb -0.00 -3.02 -0.12 0.00 0.03 0.00 0.00 46.19 43.08 9pcy s LEU 63 CO -0.11 -1.03 0.31 -0.55 0.23 0.00 0.00 176.35 175.20 9pcy h ASN 64 N 9.09 0.00 -4.26 2.29 -1.07 -1.97 -2.93 115.58 116.72 9pcy h ASN 64 Ca -0.25 -0.43 -0.49 0.00 0.07 0.00 0.00 56.30 55.20 9pcy h ASN 64 Cb 1.08 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 37.38 9pcy h ASN 64 CO 1.01 0.77 0.39 0.00 0.07 0.00 0.00 177.43 179.67 9pcy s ALA 65 N -2.42 2.97 0.90 4.14 0.00 -1.26 -4.56 121.76 121.53 9pcy s ALA 65 Ca -0.10 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 9pcy s ALA 65 Cb -0.01 -3.14 0.13 0.00 0.00 0.00 0.00 23.12 20.11 9pcy s ALA 65 CO 0.32 -0.59 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 9pcy s PRO 66 N -4.51 1.20 0.00 0.00 0.04 -1.26 -3.64 135.00 126.83 9pcy s PRO 66 Ca 0.59 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.67 9pcy s PRO 66 Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.64 9pcy s PRO 66 CO 0.42 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.52 9pcy n GLY 67 N -0.68 1.46 3.54 0.56 0.00 0.28 -4.95 105.19 105.41 9pcy n GLY 67 Ca 0.08 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.52 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 0.32 -4.26 1.61 -0.58 -1.24 -4.32 120.64 112.16 9pcy n GLU 68 Ca 0.00 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.63 9pcy n GLU 68 Cb 0.00 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.15 9pcy n GLU 68 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 9pcy s THR 69 N 0.39 3.61 -0.16 2.62 -4.23 -1.26 -0.60 115.64 116.02 9pcy s THR 69 Ca 0.90 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 9pcy s THR 69 Cb -1.20 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 69.76 9pcy s THR 69 CO 0.56 -0.36 0.07 -0.47 -0.54 0.00 0.00 174.62 173.88 9pcy s TYR 70 N -2.27 0.44 -0.07 3.99 5.04 0.56 -4.99 117.35 120.04 9pcy s TYR 70 Ca 0.31 -0.40 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 9pcy s TYR 70 Cb -0.07 -0.77 -0.04 0.00 0.35 0.00 0.00 41.96 41.44 9pcy s TYR 70 CO 0.21 -0.50 0.12 0.08 -1.34 0.00 0.00 175.55 174.12 9pcy s VAL 71 N 2.06 5.19 0.21 3.14 1.01 -1.26 -0.59 120.40 130.16 9pcy s VAL 71 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 9pcy s VAL 71 Cb -0.16 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 9pcy s VAL 71 CO -0.08 0.51 0.38 0.54 0.00 0.00 0.00 175.10 176.45 9pcy s VAL 72 N -1.10 0.02 -0.12 2.92 0.11 -0.24 -5.01 120.40 116.98 9pcy s VAL 72 Ca 0.19 -1.41 -0.06 0.00 -2.93 0.00 0.00 61.98 57.77 9pcy s VAL 72 Cb -0.12 -2.06 0.05 0.00 -1.53 0.00 0.00 36.38 32.71 9pcy s VAL 72 CO 0.09 -0.11 0.28 -0.89 -3.33 0.00 0.00 175.10 171.14 9pcy s THR 73 N -4.00 -0.05 -0.34 5.04 2.01 -1.26 -0.42 115.64 116.62 9pcy s THR 73 Ca 0.21 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 9pcy s THR 73 Cb 0.01 -0.43 0.06 0.00 0.01 0.00 0.00 72.50 72.16 9pcy s THR 73 CO 0.05 0.06 0.07 -0.76 -0.69 0.00 0.00 174.62 173.36 9pcy s LEU 74 N 1.33 4.33 -0.13 4.42 1.43 -1.22 -4.97 118.68 123.87 9pcy s LEU 74 Ca -0.09 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.41 9pcy s LEU 74 Cb -0.10 -1.77 -0.25 0.00 0.03 0.00 0.00 46.19 44.09 9pcy s LEU 74 CO -0.09 -0.34 0.47 -0.78 0.23 0.00 0.00 176.35 175.83 9pcy h ASP 75 N 8.06 0.28 -2.86 2.29 3.58 -1.89 0.58 116.42 126.45 9pcy h ASP 75 Ca -0.19 -0.80 -0.55 0.00 0.42 0.00 0.00 57.03 55.90 9pcy h ASP 75 Cb 1.06 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 9pcy h ASP 75 CO 0.59 1.58 0.90 -0.89 -2.88 0.00 0.00 179.24 178.54 9pcy s THR 76 N -2.45 3.93 0.94 2.25 2.01 -1.26 -4.25 115.64 116.82 9pcy s THR 76 Ca -0.22 1.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.89 9pcy s THR 76 Cb 0.05 -3.78 0.16 0.00 0.01 0.00 0.00 72.50 68.94 9pcy s THR 76 CO 0.72 -0.06 1.13 0.29 -0.69 0.00 0.00 174.62 176.01 9pcy n LYS 77 N 6.15 -0.66 0.00 4.92 5.02 -1.26 -4.85 118.16 127.48 9pcy n LYS 77 Ca 0.14 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 9pcy n LYS 77 Cb 0.44 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 9pcy n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 9pcy n GLY 78 N 0.35 0.48 3.07 0.72 0.00 -0.33 -4.85 105.19 104.63 9pcy n GLY 78 Ca 0.11 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.39 -0.02 -0.08 2.61 2.01 -1.26 -0.44 115.64 115.08 9pcy s THR 79 Ca 0.00 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.10 9pcy s THR 79 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.18 9pcy s THR 79 CO 0.00 0.03 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.47 9pcy s TYR 80 N 0.66 1.96 -0.09 4.92 1.51 0.15 -4.21 117.35 122.26 9pcy s TYR 80 Ca -0.04 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.19 9pcy s TYR 80 Cb -0.06 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 9pcy s TYR 80 CO -0.04 -0.34 0.14 -1.12 -1.11 0.00 0.00 175.55 173.09 9pcy s SER 81 N 0.51 6.33 0.18 2.29 0.01 -0.06 -0.46 113.70 122.50 9pcy s SER 81 Ca -0.16 0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 9pcy s SER 81 Cb -0.17 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 9pcy s SER 81 CO 0.06 0.37 0.11 0.72 0.41 0.00 0.00 173.24 174.92 9pcy s PHE 82 N -1.10 1.09 0.23 2.43 -0.12 0.17 -0.66 117.98 120.04 9pcy s PHE 82 Ca 0.18 -1.35 -0.20 0.00 -0.05 0.00 0.00 56.93 55.51 9pcy s PHE 82 Cb -0.12 -0.54 0.03 0.00 -0.63 0.00 0.00 43.02 41.76 9pcy s PHE 82 CO 0.08 -0.61 0.63 1.52 -0.05 0.00 0.00 175.22 176.78 9pcy s TYR 83 N -4.14 -0.21 -0.40 3.49 -0.85 0.54 -0.36 117.35 115.42 9pcy s TYR 83 Ca 0.36 -0.16 -0.10 0.00 -0.52 0.00 0.00 57.07 56.64 9pcy s TYR 83 Cb 0.07 0.56 0.05 0.00 0.38 0.00 0.00 41.96 43.03 9pcy s TYR 83 CO 0.10 -1.06 0.23 0.00 -1.52 0.00 0.00 175.55 173.30 9pcy h SER 85 N 8.43 -1.23 0.00 0.00 4.64 -1.86 0.21 113.55 123.73 9pcy h SER 85 Ca -0.24 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 9pcy h SER 85 Cb 1.09 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 9pcy h SER 85 CO 0.71 -0.38 0.67 -0.65 -0.87 0.00 0.00 176.83 176.31 9pcy h PRO 86 N -0.39 0.00 0.00 4.77 0.11 -1.90 -1.53 132.00 133.06 9pcy h PRO 86 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 9pcy h PRO 86 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 9pcy h PRO 86 CO -0.45 0.00 -0.34 0.72 -0.21 0.00 0.00 178.00 177.71 9pcy n HIS 87 N -2.60 0.00 -0.30 0.65 8.25 -0.16 -4.86 115.22 116.20 9pcy n HIS 87 Ca -0.01 -0.15 -0.04 0.00 -0.26 0.00 0.00 57.72 57.25 9pcy n HIS 87 Cb 0.69 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.81 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 1.09 -0.15 -0.41 3.07 0.41 -0.26 115.11 118.86 9pcy h GLN 88 Ca 0.00 -0.09 0.04 0.00 0.09 0.00 0.00 58.65 58.70 9pcy h GLN 88 Cb 1.26 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 28.58 9pcy h GLN 88 CO 0.00 0.75 0.12 0.78 0.09 0.00 0.00 178.83 180.57 9pcy h GLY 89 N 1.10 0.00 -1.57 0.06 0.00 -1.87 0.67 103.07 101.48 9pcy h GLY 89 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 9pcy h GLY 89 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.48 9pcy n ALA 90 N -2.52 2.55 -1.04 3.60 0.00 -0.30 -4.91 120.51 117.90 9pcy n ALA 90 Ca 0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.70 9pcy n ALA 90 Cb 0.24 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 1.01 0.49 3.31 0.00 0.00 0.23 -4.95 105.19 105.27 9pcy n GLY 91 Ca 0.13 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.94 2.88 -4.64 1.61 0.00 -0.26 -4.86 117.12 108.90 9pcy n MET 92 Ca -0.01 -2.94 -0.29 0.00 -0.00 0.00 0.00 57.70 54.45 9pcy n MET 92 Cb 0.05 -3.43 -0.10 0.00 0.00 0.00 0.00 33.22 29.74 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 4.54 1.67 0.12 1.12 -7.23 -1.26 -1.15 120.40 118.21 9pcy s VAL 93 Ca 0.53 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.46 9pcy s VAL 93 Cb 0.07 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.36 9pcy s VAL 93 CO 0.04 0.00 1.10 -0.83 -0.31 0.00 0.00 175.10 175.10 9pcy s GLY 94 N -3.74 -0.02 0.06 2.32 0.00 0.51 -4.42 107.32 102.03 9pcy s GLY 94 Ca 0.27 -0.12 -0.09 0.00 0.00 0.00 0.00 44.72 44.78 9pcy s GLY 94 CO 0.14 2.66 0.19 0.54 0.00 0.00 0.00 173.10 176.62 9pcy s LYS 95 N -2.27 0.76 -0.08 2.90 1.02 0.14 -0.65 119.74 121.55 9pcy s LYS 95 Ca 0.22 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 9pcy s LYS 95 Cb -0.01 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.65 9pcy s LYS 95 CO 0.03 -0.23 0.16 0.54 -0.92 0.00 0.00 175.35 174.93 9pcy s VAL 96 N -3.18 -0.14 -0.19 3.17 0.11 0.39 -2.76 120.40 117.80 9pcy s VAL 96 Ca -0.00 0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 59.08 9pcy s VAL 96 Cb 0.02 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 9pcy s VAL 96 CO -0.07 0.10 0.62 -0.89 -3.33 0.00 0.00 175.10 171.53 9pcy s THR 97 N 1.62 5.03 -0.68 5.04 2.01 -0.07 -0.67 115.64 127.92 9pcy s THR 97 Ca -0.05 1.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.98 9pcy s THR 97 Cb -0.12 -3.94 0.17 0.00 0.01 0.00 0.00 72.50 68.63 9pcy s THR 97 CO -0.06 0.13 0.63 -0.69 -0.69 0.00 0.00 174.62 173.93 9pcy s VAL 98 N 1.79 5.37 -2.41 3.82 1.01 0.42 -0.47 120.40 129.93 9pcy s VAL 98 Ca 0.29 -2.00 0.29 0.00 0.00 0.00 0.00 61.98 60.56 9pcy s VAL 98 Cb -0.16 -4.38 0.62 0.00 0.00 0.00 0.00 36.38 32.46 9pcy s VAL 98 CO 0.11 -0.95 1.83 -3.20 0.00 0.00 0.00 175.10 172.89