#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 3.29 -0.00 1.96 2.12 -1.26 -0.69 118.70 124.12 9pcy s GLU 2 Ca 0.00 -1.54 -0.17 0.00 0.36 0.00 0.00 54.97 53.62 9pcy s GLU 2 Cb 0.00 -4.47 -0.06 0.00 0.26 0.00 0.00 34.13 29.87 9pcy s GLU 2 CO 0.00 -1.61 0.46 0.08 -0.54 0.00 0.00 175.26 173.65 9pcy s VAL 3 N 2.52 4.98 -0.23 3.70 1.01 0.97 -4.78 120.40 128.56 9pcy s VAL 3 Ca 0.20 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 9pcy s VAL 3 Cb -0.16 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 9pcy s VAL 3 CO 0.00 0.53 0.17 -0.76 0.00 0.00 0.00 175.10 175.04 9pcy s LEU 4 N -0.79 4.12 -0.63 3.92 1.43 0.21 -0.86 118.68 126.08 9pcy s LEU 4 Ca 0.25 0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 9pcy s LEU 4 Cb -0.17 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 43.98 9pcy s LEU 4 CO 0.14 0.07 1.00 -0.76 0.23 0.00 0.00 176.35 177.03 9pcy s LEU 5 N 1.01 4.13 0.00 1.79 1.43 0.60 -0.76 118.68 126.89 9pcy s LEU 5 Ca 0.08 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 9pcy s LEU 5 Cb -0.13 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.51 9pcy s LEU 5 CO 0.04 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.81 9pcy n GLY 6 N 5.26 1.22 3.78 -3.19 0.00 0.53 -1.21 105.19 111.58 9pcy n GLY 6 Ca -0.01 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.78 5.28 0.41 1.61 1.04 -0.43 -4.53 113.70 116.31 9pcy s SER 7 Ca 0.00 -0.34 0.12 0.00 0.48 0.00 0.00 55.95 56.21 9pcy s SER 7 Cb 0.00 -1.27 0.96 0.00 0.10 0.00 0.00 66.02 65.81 9pcy s SER 7 CO 0.00 -0.02 1.95 1.23 0.98 0.00 0.00 173.24 177.38 9pcy h GLY 8 N 1.64 0.74 1.29 7.32 0.00 -1.95 0.70 103.07 112.81 9pcy h GLY 8 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.65 9pcy h GLY 8 CO 0.61 0.11 0.00 2.09 0.00 0.00 0.00 176.54 179.35 9pcy n ASP 9 N -4.48 0.00 0.00 0.19 5.68 -1.26 -4.89 116.55 111.78 9pcy n ASP 9 Ca 0.12 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 9pcy n ASP 9 Cb 0.39 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 9pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 9pcy n GLY 10 N 0.65 2.80 3.70 6.12 0.00 0.24 -5.04 105.19 113.65 9pcy n GLY 10 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 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 3.40 -3.59 1.61 2.88 -1.26 -4.56 113.62 112.11 9pcy n SER 11 Ca 0.00 1.11 -0.40 0.00 -1.33 0.00 0.00 58.87 58.24 9pcy n SER 11 Cb 0.00 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 61.94 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 2.94 6.57 -4.26 2.46 4.77 -1.26 -1.31 117.00 126.92 9pcy n LEU 12 Ca 0.13 -3.86 -0.19 0.00 -0.03 0.00 0.00 56.01 52.06 9pcy n LEU 12 Cb 0.33 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 9pcy n LEU 12 CO 0.63 0.98 -0.46 0.68 -1.33 0.00 0.00 177.39 177.89 9pcy s VAL 13 N 3.36 1.44 -0.06 4.08 -7.23 -1.26 -3.84 120.40 116.89 9pcy s VAL 13 Ca 0.53 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 9pcy s VAL 13 Cb 0.15 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 9pcy s VAL 13 CO -0.04 -0.34 0.66 -0.36 -0.31 0.00 0.00 175.10 174.71 9pcy s PHE 14 N -1.92 3.59 -0.27 2.82 0.40 -1.26 -0.34 117.98 120.99 9pcy s PHE 14 Ca 0.09 1.20 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 9pcy s PHE 14 Cb -0.06 -2.75 0.06 0.00 0.51 0.00 0.00 43.02 40.78 9pcy s PHE 14 CO 0.04 0.13 -0.09 0.08 0.70 0.00 0.00 175.22 176.08 9pcy s VAL 15 N 0.65 2.13 0.66 -0.44 1.01 0.06 -1.39 120.40 123.09 9pcy s VAL 15 Ca 0.35 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 9pcy s VAL 15 Cb -0.18 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 9pcy s VAL 15 CO 0.17 -0.09 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 9pcy s PRO 16 N 1.10 2.98 -0.02 2.72 0.04 -1.26 -0.62 135.00 139.95 9pcy s PRO 16 Ca -0.07 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 9pcy s PRO 16 Cb -0.20 -1.99 -0.31 0.00 0.04 0.00 0.00 34.50 32.04 9pcy s PRO 16 CO -0.05 -1.08 0.96 0.77 0.04 0.00 0.00 177.00 177.64 9pcy h SER 17 N -0.21 0.58 -4.31 6.66 0.02 -1.58 -3.46 113.55 111.26 9pcy h SER 17 Ca -0.45 -0.91 -0.47 0.00 -0.84 0.00 0.00 61.79 59.12 9pcy h SER 17 Cb 1.22 -0.19 -0.25 0.00 0.14 0.00 0.00 62.40 63.32 9pcy h SER 17 CO 0.56 1.44 -0.80 -1.83 -1.14 0.00 0.00 176.83 175.06 9pcy s GLU 18 N -2.63 1.02 0.23 3.45 -1.05 -1.26 -0.37 118.70 118.10 9pcy s GLU 18 Ca -0.12 -0.77 -0.19 0.00 -0.15 0.00 0.00 54.97 53.73 9pcy s GLU 18 Cb 0.02 -1.05 0.07 0.00 -0.44 0.00 0.00 34.13 32.73 9pcy s GLU 18 CO 0.86 0.26 0.95 1.97 0.95 0.00 0.00 175.26 180.25 9pcy n PHE 19 N 1.95 -1.58 -3.85 4.83 -1.74 -1.19 -4.97 117.46 110.91 9pcy n PHE 19 Ca -0.18 -1.38 -0.13 0.00 -0.56 0.00 0.00 57.45 55.20 9pcy n PHE 19 Cb 0.54 0.68 -0.15 0.00 1.52 0.00 0.00 39.48 42.07 9pcy n PHE 19 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 9pcy s SER 20 N -3.30 0.07 0.04 5.98 1.04 -1.26 -0.71 113.70 115.57 9pcy s SER 20 Ca 0.21 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.69 9pcy s SER 20 Cb -0.03 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 9pcy s SER 20 CO 0.07 -0.04 -0.14 0.68 0.98 0.00 0.00 173.24 174.78 9pcy s VAL 21 N 0.39 1.12 0.48 5.02 -7.23 0.39 -4.91 120.40 115.66 9pcy s VAL 21 Ca -0.03 -1.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.86 9pcy s VAL 21 Cb -0.05 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 9pcy s VAL 21 CO -0.01 -0.02 1.28 -2.65 -0.31 0.00 0.00 175.10 173.38 9pcy n PRO 22 N 1.82 1.78 -1.69 4.82 -0.02 -1.26 -0.44 135.00 140.01 9pcy n PRO 22 Ca -0.18 0.64 -0.53 0.00 -2.02 0.00 0.00 63.50 61.41 9pcy n PRO 22 Cb 0.55 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 9pcy n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 9pcy n SER 23 N -0.26 2.86 0.00 2.55 7.64 0.27 -1.02 113.62 125.65 9pcy n SER 23 Ca 0.08 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.96 9pcy n SER 23 Cb 0.42 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 4.41 0.51 3.77 0.23 0.00 0.39 -4.91 105.19 109.59 9pcy n GLY 24 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 9pcy n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 9pcy s GLU 25 N -0.84 2.97 0.22 1.61 0.41 -0.19 -4.70 118.70 118.19 9pcy s GLU 25 Ca 0.00 1.51 -0.24 0.00 -0.41 0.00 0.00 54.97 55.82 9pcy s GLU 25 Cb 0.00 -1.96 -0.08 0.00 -1.78 0.00 0.00 34.13 30.30 9pcy s GLU 25 CO 0.00 -1.13 0.81 0.15 -0.49 0.00 0.00 175.26 174.60 9pcy s LYS 26 N -3.76 4.52 -0.10 1.61 1.02 -1.26 -3.61 119.74 118.16 9pcy s LYS 26 Ca 0.70 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.87 9pcy s LYS 26 Cb -0.23 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 9pcy s LYS 26 CO 0.36 0.47 -0.23 0.42 -0.92 0.00 0.00 175.35 175.44 9pcy s ILE 27 N -1.34 2.00 -0.08 2.17 1.01 0.29 -0.76 121.20 124.49 9pcy s ILE 27 Ca 0.41 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.11 9pcy s ILE 27 Cb -0.21 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 9pcy s ILE 27 CO 0.25 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 174.83 9pcy s VAL 28 N 0.35 1.86 -0.33 2.92 1.01 0.14 -0.98 120.40 125.37 9pcy s VAL 28 Ca -0.18 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.90 9pcy s VAL 28 Cb -0.18 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.68 9pcy s VAL 28 CO 0.09 0.52 0.03 -0.36 0.00 0.00 0.00 175.10 175.38 9pcy s PHE 29 N 0.27 3.56 -0.19 5.22 0.08 0.51 -0.02 117.98 127.42 9pcy s PHE 29 Ca -0.14 -2.62 -0.09 0.00 0.12 0.00 0.00 56.93 54.20 9pcy s PHE 29 Cb -0.16 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 9pcy s PHE 29 CO 0.07 -0.92 0.12 0.21 -0.10 0.00 0.00 175.22 174.59 9pcy s LYS 30 N 1.03 4.05 -0.34 0.44 2.20 -0.04 -0.79 119.74 126.28 9pcy s LYS 30 Ca 0.04 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.14 9pcy s LYS 30 Cb -0.20 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 9pcy s LYS 30 CO -0.06 0.36 2.00 -0.80 -0.36 0.00 0.00 175.35 176.49 9pcy s ASN 31 N 0.18 5.53 -0.07 1.43 -0.87 0.37 -0.29 114.94 121.22 9pcy s ASN 31 Ca 0.08 1.35 -0.04 0.00 -1.57 0.00 0.00 52.86 52.69 9pcy s ASN 31 Cb -0.11 -2.52 -0.01 0.00 -0.02 0.00 0.00 41.25 38.58 9pcy s ASN 31 CO -0.01 -1.98 -0.07 -1.13 -2.57 0.00 0.00 177.10 171.33 9pcy h ASN 32 N 14.49 0.00 -5.16 -1.22 -1.24 -1.42 0.82 115.58 121.85 9pcy h ASN 32 Ca -0.34 0.00 0.10 0.00 0.71 0.00 0.00 56.30 56.77 9pcy h ASN 32 Cb 1.20 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.20 9pcy h ASN 32 CO 1.04 0.39 0.36 0.00 -1.29 0.00 0.00 177.43 177.93 9pcy s ALA 33 N -2.83 -1.31 -1.53 1.57 0.00 -1.20 -4.73 121.76 111.73 9pcy s ALA 33 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.63 9pcy s ALA 33 Cb 0.01 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.87 9pcy s ALA 33 CO 0.09 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.23 9pcy n GLY 34 N -0.51 1.45 3.70 0.00 0.00 -1.26 -4.18 105.19 104.40 9pcy n GLY 34 Ca -0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.54 2.24 0.69 1.61 -0.12 -1.26 -4.78 117.98 113.81 9pcy s PHE 35 Ca 0.00 1.14 -0.14 0.00 -0.05 0.00 0.00 56.93 57.88 9pcy s PHE 35 Cb 0.00 -3.21 0.01 0.00 -0.63 0.00 0.00 43.02 39.20 9pcy s PHE 35 CO 0.00 -2.59 1.10 -1.25 -0.05 0.00 0.00 175.22 172.43 9pcy s PRO 36 N -4.96 2.67 0.16 1.99 0.04 -1.26 -5.02 135.00 128.62 9pcy s PRO 36 Ca 0.64 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 9pcy s PRO 36 Cb -0.18 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 9pcy s PRO 36 CO 0.57 -1.35 0.29 -1.01 0.04 0.00 0.00 177.00 175.54 9pcy s HIS 37 N -2.50 0.36 0.32 0.56 3.76 -0.36 -4.90 115.29 112.53 9pcy s HIS 37 Ca 0.65 -0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 9pcy s HIS 37 Cb -0.19 -0.04 0.06 0.00 1.11 0.00 0.00 32.58 33.51 9pcy s HIS 37 CO 0.46 -0.71 0.85 0.54 -0.85 0.00 0.00 174.74 175.02 9pcy s ASN 38 N -2.96 -0.03 -0.18 1.40 2.20 -1.26 0.13 114.94 114.24 9pcy s ASN 38 Ca 0.16 -0.95 -0.03 0.00 -0.94 0.00 0.00 52.86 51.10 9pcy s ASN 38 Cb 0.03 0.74 0.06 0.00 -2.00 0.00 0.00 41.25 40.08 9pcy s ASN 38 CO -0.01 -1.45 0.04 -0.69 -2.94 0.00 0.00 177.10 172.05 9pcy s VAL 39 N -2.46 0.40 -0.12 3.54 1.01 -1.26 -4.10 120.40 117.40 9pcy s VAL 39 Ca 0.16 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.73 9pcy s VAL 39 Cb -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 9pcy s VAL 39 CO 0.09 -0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 174.17 9pcy s VAL 40 N 1.92 2.87 0.04 2.92 1.01 0.43 -0.36 120.40 129.23 9pcy s VAL 40 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 9pcy s VAL 40 Cb -0.16 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 9pcy s VAL 40 CO -0.08 0.53 0.64 -0.36 0.00 0.00 0.00 175.10 175.84 9pcy s PHE 41 N 0.30 3.74 -0.55 5.22 0.40 -1.26 -0.32 117.98 125.50 9pcy s PHE 41 Ca -0.11 1.31 -0.27 0.00 -0.60 0.00 0.00 56.93 57.26 9pcy s PHE 41 Cb -0.16 -2.65 -0.00 0.00 0.51 0.00 0.00 43.02 40.72 9pcy s PHE 41 CO 0.06 0.40 1.61 0.34 0.70 0.00 0.00 175.22 178.33 9pcy s ASP 42 N -0.43 5.81 0.49 1.36 2.15 0.20 -4.88 116.67 121.38 9pcy s ASP 42 Ca 0.33 0.42 0.31 0.00 0.43 0.00 0.00 52.55 54.04 9pcy s ASP 42 Cb -0.19 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.30 9pcy s ASP 42 CO 0.20 -1.93 1.77 1.05 -0.17 0.00 0.00 175.17 176.08 9pcy h GLU 43 N 12.55 0.12 0.00 4.34 -0.00 -1.95 0.17 114.58 129.82 9pcy h GLU 43 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 9pcy h GLU 43 Cb 1.12 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 9pcy h GLU 43 CO 1.17 0.08 0.00 0.22 -0.00 0.00 0.00 179.01 180.49 9pcy h ASP 44 N 0.13 0.00 -2.08 3.06 3.58 -1.97 -3.37 116.42 115.77 9pcy h ASP 44 Ca 0.61 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 57.51 9pcy h ASP 44 Cb 2.12 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 42.77 9pcy h ASP 44 CO -0.13 0.00 -0.96 -0.62 -2.88 0.00 0.00 179.24 174.65 9pcy n GLU 45 N -2.65 1.53 -3.66 0.28 -0.58 0.61 -5.05 120.64 111.12 9pcy n GLU 45 Ca 0.04 -3.81 -0.13 0.00 -0.42 0.00 0.00 57.16 52.84 9pcy n GLU 45 Cb 0.42 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 9pcy s ILE 46 N -2.26 0.05 -0.14 -3.67 -4.36 -1.23 -0.73 121.20 108.87 9pcy s ILE 46 Ca 0.39 -0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 60.09 9pcy s ILE 46 Cb 0.23 -0.90 -0.06 0.00 1.25 0.00 0.00 42.46 42.98 9pcy s ILE 46 CO -0.09 -0.23 2.12 -2.16 0.24 0.00 0.00 174.94 174.83 9pcy s PRO 47 N -2.16 3.48 -0.40 0.37 0.04 -1.26 -4.84 135.00 130.23 9pcy s PRO 47 Ca -0.07 2.21 -0.34 0.00 0.04 0.00 0.00 61.00 62.84 9pcy s PRO 47 Cb -0.01 -4.30 -0.11 0.00 0.04 0.00 0.00 34.50 30.12 9pcy s PRO 47 CO -0.00 -1.71 2.25 0.00 0.04 0.00 0.00 177.00 177.58 9pcy n ALA 48 N 10.25 1.04 0.00 8.56 0.00 -1.26 -1.90 120.51 137.20 9pcy n ALA 48 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.54 9pcy n ALA 48 Cb 0.44 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 6.46 3.57 3.62 0.00 0.00 -1.26 -5.10 105.19 112.49 9pcy n GLY 49 Ca 0.42 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.22 -0.19 1.61 1.01 -0.80 -4.95 120.40 121.30 9pcy s VAL 50 Ca 0.00 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 9pcy s VAL 50 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 9pcy s VAL 50 CO 0.00 -0.61 2.14 -0.62 0.00 0.00 0.00 175.10 176.00 9pcy s ASP 51 N 2.58 5.65 0.31 3.32 2.15 -1.26 -4.85 116.67 124.56 9pcy s ASP 51 Ca 0.53 1.96 0.07 0.00 0.43 0.00 0.00 52.55 55.53 9pcy s ASP 51 Cb -0.13 -2.51 0.84 0.00 -0.30 0.00 0.00 42.92 40.81 9pcy s ASP 51 CO 0.24 -1.80 1.70 0.00 -0.17 0.00 0.00 175.17 175.14 9pcy h ALA 52 N 14.16 1.63 -0.03 3.66 0.00 -1.93 0.10 119.26 136.86 9pcy h ALA 52 Ca -0.42 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.66 9pcy h ALA 52 Cb 1.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 9pcy h ALA 52 CO 0.96 -0.37 0.02 0.28 0.00 0.00 0.00 179.25 180.15 9pcy h VAL 53 N 0.43 0.90 0.16 0.00 2.07 -1.89 0.20 116.25 118.13 9pcy h VAL 53 Ca 0.62 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.85 9pcy h VAL 53 Cb 1.23 0.99 0.03 0.00 -1.52 0.00 0.00 31.29 32.01 9pcy h VAL 53 CO -0.53 0.00 -1.22 0.11 0.02 0.00 0.00 177.57 175.94 9pcy h LYS 54 N 0.00 0.54 0.04 1.57 1.57 -1.17 -3.33 116.57 115.79 9pcy h LYS 54 Ca 0.01 -0.80 -0.22 0.00 -1.87 0.00 0.00 60.65 57.77 9pcy h LYS 54 Cb 0.05 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 9pcy h LYS 54 CO -0.00 1.37 -1.00 -0.84 -0.57 0.00 0.00 179.45 178.41 9pcy h ILE 55 N 0.12 1.51 -3.59 1.86 3.07 -1.38 -3.46 117.51 115.65 9pcy h ILE 55 Ca -0.20 -2.82 -0.52 0.00 1.55 0.00 0.00 64.86 62.87 9pcy h ILE 55 Cb 1.93 2.64 -0.03 0.00 -0.27 0.00 0.00 36.82 41.09 9pcy h ILE 55 CO 0.23 0.82 0.25 -0.44 -1.05 0.00 0.00 178.15 177.96 9pcy s SER 56 N -6.98 7.46 0.02 2.16 0.01 0.66 -4.87 113.70 112.17 9pcy s SER 56 Ca -0.03 1.73 -0.30 0.00 1.31 0.00 0.00 55.95 58.66 9pcy s SER 56 Cb 0.09 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 9pcy s SER 56 CO 0.85 0.15 1.38 -0.32 0.41 0.00 0.00 173.24 175.71 9pcy s MET 57 N -0.95 4.30 -0.40 12.44 1.75 0.51 -4.82 119.30 132.14 9pcy s MET 57 Ca 0.39 1.96 -0.43 0.00 -1.25 0.00 0.00 55.69 56.35 9pcy s MET 57 Cb -0.24 -3.51 -0.18 0.00 2.84 0.00 0.00 34.83 33.74 9pcy s MET 57 CO 0.28 -0.53 1.71 -2.30 -0.65 0.00 0.00 175.02 173.53 9pcy n PRO 58 N 5.07 0.55 -0.36 4.11 -0.02 -1.26 -4.57 135.00 138.52 9pcy n PRO 58 Ca 0.13 0.20 0.29 0.00 -2.02 0.00 0.00 63.50 62.10 9pcy n PRO 58 Cb 0.44 -1.80 0.59 0.00 -0.02 0.00 0.00 33.50 32.71 9pcy n PRO 58 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 9pcy h GLU 59 N 6.40 0.23 -0.41 -0.52 9.09 -1.93 0.25 114.58 127.69 9pcy h GLU 59 Ca -0.43 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 58.95 9pcy h GLU 59 Cb 1.35 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.37 9pcy h GLU 59 CO 0.98 0.15 0.18 1.49 0.05 0.00 0.00 179.01 181.86 9pcy h GLU 60 N 0.24 0.57 -6.52 1.06 4.57 -2.03 -3.43 114.58 109.04 9pcy h GLU 60 Ca 0.65 -0.07 -0.52 0.00 -1.18 0.00 0.00 59.36 58.25 9pcy h GLU 60 Cb 1.95 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.42 9pcy h GLU 60 CO -0.27 0.46 -0.12 -1.21 -1.18 0.00 0.00 179.01 176.70 9pcy s GLU 61 N -5.31 3.65 -0.27 1.92 2.02 0.87 -5.11 118.70 116.46 9pcy s GLU 61 Ca -0.08 0.05 -0.25 0.00 0.02 0.00 0.00 54.97 54.71 9pcy s GLU 61 Cb 0.17 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.85 9pcy s GLU 61 CO 0.75 0.19 0.76 -0.48 0.02 0.00 0.00 175.26 176.50 9pcy s LEU 62 N -3.57 -0.72 -0.39 1.80 2.34 -1.26 -4.79 118.68 112.09 9pcy s LEU 62 Ca 0.45 1.38 -0.29 0.00 0.06 0.00 0.00 54.13 55.73 9pcy s LEU 62 Cb -0.11 2.40 0.02 0.00 -0.56 0.00 0.00 46.19 47.94 9pcy s LEU 62 CO 0.30 -0.24 1.23 -0.76 -1.06 0.00 0.00 176.35 175.82 9pcy s LEU 63 N 0.39 3.73 -0.48 1.48 1.43 0.12 -4.84 118.68 120.51 9pcy s LEU 63 Ca 0.00 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 9pcy s LEU 63 Cb -0.05 -3.54 0.42 0.00 0.03 0.00 0.00 46.19 43.05 9pcy s LEU 63 CO -0.00 -1.19 1.34 -3.20 0.23 0.00 0.00 176.35 173.53 9pcy n ASN 64 N 7.84 5.41 -3.47 2.29 5.15 -1.26 -1.22 115.26 130.00 9pcy n ASN 64 Ca 0.14 -3.75 -0.14 0.00 -0.60 0.00 0.00 54.58 50.22 9pcy n ASN 64 Cb 0.48 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 39.13 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 -3.66 -1.69 0.78 5.20 0.00 -1.26 -4.92 121.76 116.21 9pcy s ALA 65 Ca 0.51 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 9pcy s ALA 65 Cb 0.42 0.44 0.06 0.00 0.00 0.00 0.00 23.12 24.04 9pcy s ALA 65 CO -0.15 -0.58 1.08 -1.25 0.00 0.00 0.00 175.76 174.86 9pcy s PRO 66 N -2.54 2.19 0.00 0.00 0.04 -1.26 -3.93 135.00 129.50 9pcy s PRO 66 Ca -0.04 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.86 9pcy s PRO 66 Cb -0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.62 9pcy s PRO 66 CO -0.02 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.82 9pcy n GLY 67 N -1.72 1.40 3.56 0.56 0.00 0.28 -4.93 105.19 104.34 9pcy n GLY 67 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 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 0.97 -5.21 1.61 -0.58 -1.25 -4.42 120.64 111.76 9pcy n GLU 68 Ca 0.00 0.34 -0.32 0.00 -0.42 0.00 0.00 57.16 56.77 9pcy n GLU 68 Cb 0.00 -1.80 -0.17 0.00 -0.57 0.00 0.00 31.44 28.90 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 -0.23 2.14 -0.11 2.62 -4.23 -1.26 -0.48 115.64 114.08 9pcy s THR 69 Ca 0.74 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 9pcy s THR 69 Cb -0.90 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 9pcy s THR 69 CO 0.53 0.56 0.12 -0.47 -0.54 0.00 0.00 174.62 174.83 9pcy s TYR 70 N 0.09 3.54 0.04 3.99 5.04 0.03 -4.94 117.35 125.14 9pcy s TYR 70 Ca -0.11 0.48 0.05 0.00 -2.44 0.00 0.00 57.07 55.05 9pcy s TYR 70 Cb -0.16 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 9pcy s TYR 70 CO 0.06 0.70 -0.15 0.08 -1.34 0.00 0.00 175.55 174.90 9pcy s VAL 71 N -1.03 1.23 0.24 3.14 1.01 -1.26 -0.36 120.40 123.36 9pcy s VAL 71 Ca 0.16 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 9pcy s VAL 71 Cb -0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 9pcy s VAL 71 CO 0.05 0.05 0.48 0.54 0.00 0.00 0.00 175.10 176.22 9pcy s VAL 72 N -0.83 0.01 -0.13 2.92 0.11 -0.15 -5.02 120.40 117.30 9pcy s VAL 72 Ca 0.03 -1.34 -0.09 0.00 -2.93 0.00 0.00 61.98 57.66 9pcy s VAL 72 Cb -0.08 -2.12 0.05 0.00 -1.53 0.00 0.00 36.38 32.70 9pcy s VAL 72 CO 0.01 -0.03 0.33 -0.89 -3.33 0.00 0.00 175.10 171.19 9pcy s THR 73 N -4.00 -0.02 -0.24 5.04 2.01 -1.26 -0.55 115.64 116.63 9pcy s THR 73 Ca 0.20 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.30 9pcy s THR 73 Cb -0.01 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.07 9pcy s THR 73 CO 0.07 0.03 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.16 9pcy s LEU 74 N 0.91 2.99 -0.17 4.42 1.43 -1.24 -4.98 118.68 122.05 9pcy s LEU 74 Ca -0.06 -1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 51.82 9pcy s LEU 74 Cb -0.07 -1.45 -0.23 0.00 0.03 0.00 0.00 46.19 44.47 9pcy s LEU 74 CO -0.07 -0.16 0.15 0.47 0.23 0.00 0.00 176.35 176.97 9pcy n ASP 75 N 4.52 2.05 -4.67 2.29 9.92 -1.26 -0.46 116.55 128.94 9pcy n ASP 75 Ca -0.15 0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.77 9pcy n ASP 75 Cb 0.44 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 9pcy s THR 76 N -2.54 3.77 0.93 -3.53 2.01 -1.26 -4.41 115.64 110.61 9pcy s THR 76 Ca -0.27 1.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 9pcy s THR 76 Cb 0.07 -3.67 0.14 0.00 0.01 0.00 0.00 72.50 69.06 9pcy s THR 76 CO 0.71 -0.06 1.07 0.29 -0.69 0.00 0.00 174.62 175.94 9pcy n LYS 77 N 6.30 -0.51 0.00 4.92 4.76 -1.26 -4.83 118.16 127.54 9pcy n LYS 77 Ca 0.15 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 9pcy n LYS 77 Cb 0.43 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 9pcy n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 9pcy n GLY 78 N 0.42 0.81 3.19 0.72 0.00 -1.19 -4.82 105.19 104.31 9pcy n GLY 78 Ca 0.11 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.48 1.93 -0.05 2.61 2.01 -1.26 -0.52 115.64 118.87 9pcy s THR 79 Ca 0.00 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.10 9pcy s THR 79 Cb 0.00 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 9pcy s THR 79 CO 0.00 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.95 9pcy s TYR 80 N 0.35 1.95 -0.02 4.92 1.51 0.25 -4.06 117.35 122.26 9pcy s TYR 80 Ca -0.17 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 9pcy s TYR 80 Cb -0.17 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 9pcy s TYR 80 CO 0.08 -0.19 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.18 9pcy s SER 81 N 0.00 4.95 0.23 2.29 0.01 0.10 -0.40 113.70 120.88 9pcy s SER 81 Ca -0.04 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 9pcy s SER 81 Cb -0.12 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 9pcy s SER 81 CO 0.03 0.30 0.26 0.72 0.41 0.00 0.00 173.24 174.96 9pcy s PHE 82 N -1.01 0.97 0.24 2.43 -0.12 0.17 -0.63 117.98 120.03 9pcy s PHE 82 Ca 0.17 -1.21 -0.19 0.00 -0.05 0.00 0.00 56.93 55.65 9pcy s PHE 82 Cb -0.11 -0.33 0.02 0.00 -0.63 0.00 0.00 43.02 41.97 9pcy s PHE 82 CO 0.08 -0.79 0.62 1.52 -0.05 0.00 0.00 175.22 176.60 9pcy s TYR 83 N -3.99 -0.14 -0.40 3.49 -0.85 0.57 -0.51 117.35 115.52 9pcy s TYR 83 Ca 0.34 -0.25 -0.12 0.00 -0.52 0.00 0.00 57.07 56.52 9pcy s TYR 83 Cb 0.04 0.54 0.03 0.00 0.38 0.00 0.00 41.96 42.95 9pcy s TYR 83 CO 0.13 -1.07 0.25 0.00 -1.52 0.00 0.00 175.55 173.34 9pcy h SER 85 N 8.52 -1.89 0.13 0.00 0.02 -1.88 0.39 113.55 118.82 9pcy h SER 85 Ca -0.26 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 9pcy h SER 85 Cb 1.11 0.83 0.00 0.00 0.14 0.00 0.00 62.40 64.48 9pcy h SER 85 CO 0.71 -0.23 0.00 -0.81 -1.14 0.00 0.00 176.83 175.36 9pcy n PRO 86 N -5.02 0.17 0.00 3.45 -0.04 -1.26 -3.01 135.00 129.30 9pcy n PRO 86 Ca 0.01 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 9pcy n PRO 86 Cb 0.24 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.21 0.00 -0.23 0.54 8.25 0.18 -4.85 115.22 117.90 9pcy n HIS 87 Ca 0.05 -0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 9pcy n HIS 87 Cb 0.06 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 31.27 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 0.59 -0.07 -0.41 3.07 -0.25 1.00 115.11 119.03 9pcy h GLN 88 Ca 0.00 -0.04 0.02 0.00 0.09 0.00 0.00 58.65 58.72 9pcy h GLN 88 Cb 0.62 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 9pcy h GLN 88 CO 0.00 0.39 0.06 0.78 0.09 0.00 0.00 178.83 180.14 9pcy h GLY 89 N 0.60 0.00 -1.36 0.06 0.00 -1.86 0.52 103.07 101.04 9pcy h GLY 89 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 9pcy h GLY 89 CO -0.23 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.31 9pcy n ALA 90 N -2.46 2.45 -0.63 3.60 0.00 0.18 -4.90 120.51 118.74 9pcy n ALA 90 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 9pcy n ALA 90 Cb 0.16 -0.97 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 1.08 0.68 3.30 0.00 0.00 0.17 -4.97 105.19 105.45 9pcy n GLY 91 Ca 0.12 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.63 2.92 -4.55 1.61 0.00 -0.23 -4.86 117.12 109.38 9pcy n MET 92 Ca 0.00 -2.96 -0.25 0.00 -0.00 0.00 0.00 57.70 54.49 9pcy n MET 92 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 33.22 29.68 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 4.40 1.68 0.15 1.12 -7.23 -1.26 -1.16 120.40 118.09 9pcy s VAL 93 Ca 0.53 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 9pcy s VAL 93 Cb 0.07 -2.89 0.08 0.00 0.56 0.00 0.00 36.38 34.20 9pcy s VAL 93 CO 0.03 -0.01 1.07 0.61 -0.31 0.00 0.00 175.10 176.49 9pcy n GLY 94 N -0.84 0.53 3.24 2.32 0.00 0.33 -4.43 105.19 106.35 9pcy n GLY 94 Ca -0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 9pcy n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9pcy s LYS 95 N -2.04 0.97 -0.18 1.61 1.02 0.50 -0.66 119.74 120.96 9pcy s LYS 95 Ca 0.24 -1.16 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 9pcy s LYS 95 Cb -0.02 0.33 0.05 0.00 -0.52 0.00 0.00 37.83 37.67 9pcy s LYS 95 CO 0.04 -0.32 0.46 0.54 -0.92 0.00 0.00 175.35 175.16 9pcy s VAL 96 N -3.94 -0.01 -0.16 3.17 0.11 0.46 -3.17 120.40 116.86 9pcy s VAL 96 Ca 0.14 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.17 9pcy s VAL 96 Cb 0.05 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 9pcy s VAL 96 CO -0.04 0.01 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.85 9pcy s THR 97 N 0.71 4.20 -0.61 5.04 2.01 0.11 -0.58 115.64 126.52 9pcy s THR 97 Ca -0.04 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 9pcy s THR 97 Cb -0.05 -2.85 0.15 0.00 0.01 0.00 0.00 72.50 69.76 9pcy s THR 97 CO -0.05 0.49 0.57 -0.69 -0.69 0.00 0.00 174.62 174.25 9pcy s VAL 98 N 0.30 5.28 -2.00 3.82 1.01 0.32 -0.46 120.40 128.67 9pcy s VAL 98 Ca -0.01 -1.70 0.27 0.00 0.00 0.00 0.00 61.98 60.54 9pcy s VAL 98 Cb -0.13 -4.37 0.76 0.00 0.00 0.00 0.00 36.38 32.63 9pcy s VAL 98 CO 0.02 -0.91 1.95 0.59 0.00 0.00 0.00 175.10 176.74