#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 3.55 -0.26 3.23 2.02 -1.26 -0.76 118.70 125.22 9pcy s GLU 2 Ca 0.00 -1.57 -0.23 0.00 0.02 0.00 0.00 54.97 53.20 9pcy s GLU 2 Cb 0.00 -4.93 -0.01 0.00 0.10 0.00 0.00 34.13 29.29 9pcy s GLU 2 CO 0.00 -1.85 0.74 0.08 0.02 0.00 0.00 175.26 174.25 9pcy s VAL 3 N 3.20 4.88 -0.23 2.63 1.01 0.77 -4.70 120.40 127.97 9pcy s VAL 3 Ca 0.34 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 9pcy s VAL 3 Cb -0.05 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 9pcy s VAL 3 CO -0.08 -0.08 0.68 -0.76 0.00 0.00 0.00 175.10 174.86 9pcy s LEU 4 N 2.74 4.10 -0.63 3.92 1.43 0.27 -0.19 118.68 130.31 9pcy s LEU 4 Ca 0.31 0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 53.98 9pcy s LEU 4 Cb -0.15 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.14 9pcy s LEU 4 CO 0.09 -0.36 1.35 -0.76 0.23 0.00 0.00 176.35 176.89 9pcy s LEU 5 N 2.33 3.32 0.00 1.79 2.01 0.20 -1.13 118.68 127.20 9pcy s LEU 5 Ca 0.29 -0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.42 9pcy s LEU 5 Cb -0.16 -2.87 0.00 0.00 0.01 0.00 0.00 46.19 43.17 9pcy s LEU 5 CO 0.09 -1.75 0.00 0.61 1.01 0.00 0.00 176.35 176.31 9pcy n GLY 6 N 5.29 1.48 3.94 -3.19 0.00 0.33 -2.09 105.19 110.96 9pcy n GLY 6 Ca 0.09 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.47 4.33 0.24 1.61 1.04 -0.98 -4.49 113.70 114.99 9pcy s SER 7 Ca 0.00 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 9pcy s SER 7 Cb 0.00 -0.69 0.44 0.00 0.10 0.00 0.00 66.02 65.86 9pcy s SER 7 CO 0.00 -1.91 1.75 1.23 0.98 0.00 0.00 173.24 175.29 9pcy h GLY 8 N -0.82 1.16 -0.18 7.32 0.00 -1.95 0.15 103.07 108.76 9pcy h GLY 8 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.72 9pcy h GLY 8 CO 0.51 -0.04 0.00 2.09 0.00 0.00 0.00 176.54 179.10 9pcy n ASP 9 N -4.94 0.18 -1.16 0.19 5.75 -1.26 -4.87 116.55 110.43 9pcy n ASP 9 Ca 0.14 -1.98 -0.11 0.00 -0.01 0.00 0.00 54.79 52.83 9pcy n ASP 9 Cb 0.38 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.40 0.25 3.78 6.12 0.00 0.53 -4.89 105.19 111.38 9pcy n GLY 10 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.60 6.66 -1.25 1.61 0.15 -1.26 -4.04 113.70 112.98 9pcy s SER 11 Ca 0.00 2.16 -0.12 0.00 0.70 0.00 0.00 55.95 58.68 9pcy s SER 11 Cb 0.00 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 9pcy s SER 11 CO 0.00 -0.56 2.36 0.18 1.20 0.00 0.00 173.24 176.41 9pcy n LEU 12 N -0.01 6.44 -4.02 3.45 4.77 -1.26 -2.30 117.00 124.07 9pcy n LEU 12 Ca 0.05 -3.67 -0.19 0.00 -0.03 0.00 0.00 56.01 52.16 9pcy n LEU 12 Cb 0.48 -1.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.03 9pcy n LEU 12 CO 0.47 0.99 -0.43 0.68 -1.33 0.00 0.00 177.39 177.77 9pcy s VAL 13 N 3.30 0.73 -0.04 4.08 -7.23 -1.26 -4.33 120.40 115.65 9pcy s VAL 13 Ca 0.54 -0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 60.05 9pcy s VAL 13 Cb 0.14 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 9pcy s VAL 13 CO -0.03 0.21 0.86 -0.36 -0.31 0.00 0.00 175.10 175.47 9pcy s PHE 14 N -0.16 3.61 -0.32 2.82 0.40 -1.26 -0.51 117.98 122.56 9pcy s PHE 14 Ca 0.03 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 9pcy s PHE 14 Cb -0.04 -2.99 0.08 0.00 0.51 0.00 0.00 43.02 40.58 9pcy s PHE 14 CO -0.00 0.01 0.01 0.08 0.70 0.00 0.00 175.22 176.02 9pcy s VAL 15 N 1.02 2.55 0.80 -0.44 1.01 -0.29 -1.74 120.40 123.31 9pcy s VAL 15 Ca 0.45 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 9pcy s VAL 15 Cb -0.19 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.60 9pcy s VAL 15 CO 0.23 -0.33 1.10 -2.16 0.00 0.00 0.00 175.10 173.93 9pcy s PRO 16 N 1.07 2.10 -0.11 2.72 0.04 -1.26 -0.57 135.00 138.99 9pcy s PRO 16 Ca 0.01 0.63 -0.07 0.00 0.04 0.00 0.00 61.00 61.61 9pcy s PRO 16 Cb -0.20 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 9pcy s PRO 16 CO -0.05 -1.61 -0.14 -1.13 0.04 0.00 0.00 177.00 174.11 9pcy n SER 17 N -3.42 1.40 -4.66 6.66 3.41 -0.71 -4.86 113.62 111.43 9pcy n SER 17 Ca 0.07 0.54 -0.35 0.00 -0.26 0.00 0.00 58.87 58.87 9pcy n SER 17 Cb 0.56 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 9pcy n SER 17 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 9pcy s GLU 18 N -1.97 3.22 0.15 4.33 2.56 -1.25 -0.63 118.70 125.09 9pcy s GLU 18 Ca -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 54.97 54.37 9pcy s GLU 18 Cb 0.02 -2.88 0.03 0.00 2.00 0.00 0.00 34.13 33.30 9pcy s GLU 18 CO 0.17 0.60 0.43 1.97 -0.56 0.00 0.00 175.26 177.87 9pcy n PHE 19 N 2.48 -1.36 -3.97 5.30 -1.74 -1.07 -4.97 117.46 112.13 9pcy n PHE 19 Ca -0.18 -0.77 -0.09 0.00 -0.56 0.00 0.00 57.45 55.84 9pcy n PHE 19 Cb 0.53 0.38 -0.11 0.00 1.52 0.00 0.00 39.48 41.80 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 -2.07 0.22 0.01 5.98 0.01 -1.26 -0.44 113.70 116.14 9pcy s SER 20 Ca 0.09 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 9pcy s SER 20 Cb -0.02 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.32 9pcy s SER 20 CO 0.04 -0.28 0.28 0.68 0.41 0.00 0.00 173.24 174.38 9pcy s VAL 21 N -1.34 0.07 0.53 3.43 -7.23 -0.13 -4.87 120.40 110.87 9pcy s VAL 21 Ca -0.15 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.24 9pcy s VAL 21 Cb -0.09 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.08 9pcy s VAL 21 CO -0.01 -0.32 1.11 -2.16 -0.31 0.00 0.00 175.10 173.40 9pcy s PRO 22 N -1.76 3.44 -0.12 4.82 0.04 -1.26 -0.36 135.00 139.80 9pcy s PRO 22 Ca -0.11 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.14 9pcy s PRO 22 Cb -0.04 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 9pcy s PRO 22 CO 0.01 -0.77 1.92 0.43 0.04 0.00 0.00 177.00 178.64 9pcy n SER 23 N -1.26 3.36 0.00 6.66 7.64 0.10 -1.14 113.62 128.98 9pcy n SER 23 Ca 0.11 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.89 9pcy n SER 23 Cb 0.51 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 4.63 0.54 3.75 0.23 0.00 0.32 -4.91 105.19 109.75 9pcy n GLY 24 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 9pcy n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 9pcy n GLU 25 N -1.40 2.69 -2.98 1.61 0.00 -0.29 -4.53 120.64 115.74 9pcy n GLU 25 Ca 0.00 0.95 -0.44 0.00 0.00 0.00 0.00 57.16 57.67 9pcy n GLU 25 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 31.44 28.69 9pcy n GLU 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 9pcy s LYS 26 N -0.89 3.44 0.23 5.31 1.02 -1.26 -1.50 119.74 126.08 9pcy s LYS 26 Ca 0.61 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 9pcy s LYS 26 Cb -0.49 -4.66 -0.09 0.00 -0.52 0.00 0.00 37.83 32.07 9pcy s LYS 26 CO 0.52 -1.70 1.09 0.42 -0.92 0.00 0.00 175.35 174.76 9pcy s ILE 27 N 2.69 3.70 -0.36 2.17 1.01 0.50 -4.52 121.20 126.39 9pcy s ILE 27 Ca 0.26 1.58 -0.00 0.00 0.00 0.00 0.00 60.65 62.49 9pcy s ILE 27 Cb -0.10 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.45 9pcy s ILE 27 CO -0.04 0.32 0.11 -0.69 0.00 0.00 0.00 174.94 174.64 9pcy s VAL 28 N -0.69 2.88 -0.61 2.92 1.01 0.06 -0.72 120.40 125.26 9pcy s VAL 28 Ca 0.47 -1.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.24 9pcy s VAL 28 Cb -0.30 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.21 9pcy s VAL 28 CO 0.37 -0.52 0.86 -0.36 0.00 0.00 0.00 175.10 175.45 9pcy s PHE 29 N 1.09 2.81 -0.20 5.22 0.08 0.24 -0.16 117.98 127.06 9pcy s PHE 29 Ca 0.06 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 9pcy s PHE 29 Cb -0.21 -4.09 -0.05 0.00 -0.57 0.00 0.00 43.02 38.10 9pcy s PHE 29 CO -0.05 -1.44 0.13 0.21 -0.10 0.00 0.00 175.22 173.97 9pcy s LYS 30 N 3.54 4.18 -0.17 0.44 2.20 0.73 -0.55 119.74 130.11 9pcy s LYS 30 Ca 0.20 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 9pcy s LYS 30 Cb -0.18 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 9pcy s LYS 30 CO 0.11 0.28 1.75 1.21 -0.36 0.00 0.00 175.35 178.34 9pcy s ASN 31 N 0.43 6.28 0.00 1.43 2.47 0.19 -0.63 114.94 125.11 9pcy s ASN 31 Ca 0.08 1.85 0.00 0.00 0.42 0.00 0.00 52.86 55.21 9pcy s ASN 31 Cb -0.11 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 9pcy s ASN 31 CO -0.01 -1.30 0.00 -3.20 -3.72 0.00 0.00 177.10 168.86 9pcy n ASN 32 N 8.67 0.00 -3.79 -4.21 5.15 -0.89 -0.53 115.26 119.66 9pcy n ASN 32 Ca 0.20 0.05 -0.08 0.00 -0.60 0.00 0.00 54.58 54.15 9pcy n ASN 32 Cb 0.44 -0.31 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 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 -3.71 -0.92 -0.71 5.20 0.00 -1.16 -4.70 121.76 115.76 9pcy s ALA 33 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 9pcy s ALA 33 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 9pcy s ALA 33 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 9pcy n GLY 34 N -0.45 0.87 3.72 0.00 0.00 -1.26 -4.08 105.19 103.99 9pcy n GLY 34 Ca -0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.15 2.17 0.65 1.61 -0.12 -1.26 -4.80 117.98 114.08 9pcy s PHE 35 Ca 0.00 0.88 -0.17 0.00 -0.05 0.00 0.00 56.93 57.59 9pcy s PHE 35 Cb 0.00 -3.34 -0.01 0.00 -0.63 0.00 0.00 43.02 39.04 9pcy s PHE 35 CO 0.00 -2.76 1.19 -2.14 -0.05 0.00 0.00 175.22 171.47 9pcy s PRO 36 N -5.13 2.68 0.21 1.99 0.02 -1.26 -5.10 135.00 128.41 9pcy s PRO 36 Ca 0.65 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 9pcy s PRO 36 Cb -0.16 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 9pcy s PRO 36 CO 0.56 -1.42 0.18 -1.01 -0.33 0.00 0.00 177.00 174.98 9pcy s HIS 37 N -1.83 1.05 0.16 6.54 3.76 -0.36 -4.82 115.29 119.80 9pcy s HIS 37 Ca 0.75 -1.29 -0.23 0.00 -0.15 0.00 0.00 55.06 54.14 9pcy s HIS 37 Cb -0.29 -0.45 0.08 0.00 1.11 0.00 0.00 32.58 33.03 9pcy s HIS 37 CO 0.38 -0.70 1.05 0.54 -0.85 0.00 0.00 174.74 175.17 9pcy s ASN 38 N -3.14 -0.02 -0.16 1.40 2.20 -1.26 0.45 114.94 114.41 9pcy s ASN 38 Ca 0.37 -0.60 -0.03 0.00 -0.94 0.00 0.00 52.86 51.66 9pcy s ASN 38 Cb 0.06 0.47 0.05 0.00 -2.00 0.00 0.00 41.25 39.83 9pcy s ASN 38 CO 0.12 -0.93 0.04 -0.69 -2.94 0.00 0.00 177.10 172.70 9pcy s VAL 39 N -2.32 0.36 -0.09 3.54 1.01 -1.26 -4.09 120.40 117.55 9pcy s VAL 39 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.91 9pcy s VAL 39 Cb -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 9pcy s VAL 39 CO 0.04 -0.11 -0.19 -0.69 0.00 0.00 0.00 175.10 174.15 9pcy s VAL 40 N 1.94 2.57 0.04 2.92 1.01 0.27 -0.26 120.40 128.89 9pcy s VAL 40 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 9pcy s VAL 40 Cb -0.16 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 9pcy s VAL 40 CO -0.07 0.56 0.41 -0.36 0.00 0.00 0.00 175.10 175.63 9pcy s PHE 41 N 0.00 3.65 -0.73 5.22 0.40 -1.26 -0.39 117.98 124.87 9pcy s PHE 41 Ca -0.06 0.89 -0.26 0.00 -0.60 0.00 0.00 56.93 56.90 9pcy s PHE 41 Cb -0.15 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.16 9pcy s PHE 41 CO 0.05 0.58 1.61 0.34 0.70 0.00 0.00 175.22 178.50 9pcy s ASP 42 N -1.44 5.71 0.44 1.36 -1.08 0.04 -4.87 116.67 116.84 9pcy s ASP 42 Ca 0.29 -0.24 0.33 0.00 -0.52 0.00 0.00 52.55 52.40 9pcy s ASP 42 Cb -0.15 -2.55 1.50 0.00 -1.46 0.00 0.00 42.92 40.26 9pcy s ASP 42 CO 0.16 -2.13 1.57 -1.84 0.52 0.00 0.00 175.17 173.44 9pcy n GLU 43 N 9.20 -0.04 0.07 4.34 0.28 -1.26 -0.02 120.64 133.21 9pcy n GLU 43 Ca 0.17 1.26 -0.03 0.00 -0.16 0.00 0.00 57.16 58.40 9pcy n GLU 43 Cb 0.50 -2.48 -0.07 0.00 1.43 0.00 0.00 31.44 30.82 9pcy n GLU 43 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 9pcy h ASP 44 N 0.00 0.00 -2.30 -1.84 3.58 -1.98 -3.39 116.42 110.50 9pcy h ASP 44 Ca 0.89 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.66 9pcy h ASP 44 Cb 2.87 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 43.56 9pcy h ASP 44 CO -0.46 0.76 0.01 1.21 -2.88 0.00 0.00 179.24 177.88 9pcy n GLU 45 N -3.20 4.01 -3.53 0.28 2.13 0.97 -4.94 120.64 116.35 9pcy n GLU 45 Ca -0.03 -4.77 -0.12 0.00 0.66 0.00 0.00 57.16 52.90 9pcy n GLU 45 Cb 0.87 -2.33 -0.04 0.00 0.27 0.00 0.00 31.44 30.21 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 9pcy s ILE 46 N -4.19 0.03 -0.25 6.31 -4.36 -1.22 -1.17 121.20 116.34 9pcy s ILE 46 Ca 0.44 -0.25 -0.32 0.00 -0.26 0.00 0.00 60.65 60.26 9pcy s ILE 46 Cb 0.23 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.80 9pcy s ILE 46 CO -0.11 -0.14 2.15 -2.65 0.24 0.00 0.00 174.94 174.43 9pcy n PRO 47 N -0.08 1.65 -0.23 0.37 -0.02 -1.26 -4.84 135.00 130.58 9pcy n PRO 47 Ca -0.17 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 9pcy n PRO 47 Cb 0.63 -2.81 0.14 0.00 -0.02 0.00 0.00 33.50 31.43 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 10.01 0.24 0.22 3.55 0.00 -1.26 -0.37 120.51 132.89 9pcy n ALA 48 Ca 0.33 0.71 0.12 0.00 0.00 0.00 0.00 53.44 54.60 9pcy n ALA 48 Cb 0.33 -0.47 0.70 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -7.28 0.00 0.00 -1.99 -3.38 103.07 90.42 9pcy h GLY 49 Ca 0.35 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.10 9pcy h GLY 49 CO -0.65 0.00 1.08 0.14 0.00 0.00 0.00 176.54 177.11 9pcy s VAL 50 N -4.98 3.97 -0.21 4.60 1.01 0.50 -4.96 120.40 120.32 9pcy s VAL 50 Ca -0.05 -0.23 -0.35 0.00 0.00 0.00 0.00 61.98 61.35 9pcy s VAL 50 Cb 0.17 -4.91 -0.12 0.00 0.00 0.00 0.00 36.38 31.52 9pcy s VAL 50 CO 0.66 -1.78 1.96 -0.67 0.00 0.00 0.00 175.10 175.26 9pcy n ASP 51 N 8.71 2.86 -0.35 3.32 2.03 -1.26 -4.83 116.55 127.04 9pcy n ASP 51 Ca 0.12 0.80 0.23 0.00 0.52 0.00 0.00 54.79 56.46 9pcy n ASP 51 Cb 0.49 -1.30 0.48 0.00 -0.72 0.00 0.00 41.12 40.06 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 10.03 2.08 -0.04 -1.67 0.00 -1.91 0.10 119.26 127.85 9pcy h ALA 52 Ca -0.42 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.63 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 0.97 -0.59 0.03 0.28 0.00 0.00 0.00 179.25 179.94 9pcy h VAL 53 N 0.39 0.80 -0.05 0.00 2.07 -1.88 0.21 116.25 117.80 9pcy h VAL 53 Ca 0.68 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 68.09 9pcy h VAL 53 Cb 1.60 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.35 9pcy h VAL 53 CO -0.46 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 176.86 9pcy h LYS 54 N 0.00 0.34 0.07 1.57 1.57 -1.15 -3.33 116.57 115.63 9pcy h LYS 54 Ca 0.02 -0.31 -0.24 0.00 -1.87 0.00 0.00 60.65 58.25 9pcy h LYS 54 Cb 0.08 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 9pcy h LYS 54 CO -0.00 0.97 -1.11 -0.84 -0.57 0.00 0.00 179.45 177.90 9pcy h ILE 55 N -0.18 1.59 -3.34 1.86 3.07 -1.52 -3.46 117.51 115.54 9pcy h ILE 55 Ca -0.04 -3.16 -0.54 0.00 1.55 0.00 0.00 64.86 62.68 9pcy h ILE 55 Cb 1.07 2.86 -0.01 0.00 -0.27 0.00 0.00 36.82 40.47 9pcy h ILE 55 CO 0.08 0.91 0.45 -0.44 -1.05 0.00 0.00 178.15 178.11 9pcy s SER 56 N -6.96 7.25 0.06 2.16 0.01 0.70 -4.85 113.70 112.08 9pcy s SER 56 Ca -0.02 1.83 -0.31 0.00 1.31 0.00 0.00 55.95 58.77 9pcy s SER 56 Cb 0.09 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 9pcy s SER 56 CO 0.85 -0.33 1.71 -0.32 0.41 0.00 0.00 173.24 175.56 9pcy s MET 57 N 0.91 4.18 -0.60 12.44 1.75 0.64 -4.80 119.30 133.81 9pcy s MET 57 Ca 0.54 2.39 -0.39 0.00 -1.25 0.00 0.00 55.69 56.99 9pcy s MET 57 Cb -0.25 -3.69 -0.18 0.00 2.84 0.00 0.00 34.83 33.55 9pcy s MET 57 CO 0.29 -0.79 2.30 -2.30 -0.65 0.00 0.00 175.02 173.87 9pcy n PRO 58 N 5.97 0.22 -0.34 4.11 -0.02 -1.26 -4.63 135.00 139.05 9pcy n PRO 58 Ca 0.17 0.05 0.31 0.00 -2.02 0.00 0.00 63.50 62.01 9pcy n PRO 58 Cb 0.40 -1.74 0.57 0.00 -0.02 0.00 0.00 33.50 32.72 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 10.72 0.07 -0.52 -0.52 3.07 -1.94 0.28 114.58 125.73 9pcy h GLU 59 Ca -0.12 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 9pcy h GLU 59 Cb 1.37 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 9pcy h GLU 59 CO 1.15 0.05 0.35 0.93 -1.40 0.00 0.00 179.01 180.09 9pcy h GLU 60 N 0.07 0.56 -6.36 2.33 3.07 -2.02 -3.42 114.58 108.82 9pcy h GLU 60 Ca 0.83 -0.03 -0.53 0.00 -0.50 0.00 0.00 59.36 59.13 9pcy h GLU 60 Cb 2.18 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 9pcy h GLU 60 CO -0.70 0.37 -0.23 -1.21 -1.40 0.00 0.00 179.01 175.83 9pcy s GLU 61 N -5.52 3.58 -0.02 2.33 2.02 0.97 -5.12 118.70 116.94 9pcy s GLU 61 Ca -0.08 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 9pcy s GLU 61 Cb 0.18 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.68 9pcy s GLU 61 CO 0.74 0.31 0.12 -0.51 0.02 0.00 0.00 175.26 175.94 9pcy s LEU 62 N -3.43 1.59 -0.92 1.80 1.02 -1.26 -4.78 118.68 112.70 9pcy s LEU 62 Ca 0.41 0.02 -0.24 0.00 0.02 0.00 0.00 54.13 54.34 9pcy s LEU 62 Cb -0.11 0.50 0.05 0.00 0.02 0.00 0.00 46.19 46.65 9pcy s LEU 62 CO 0.29 -0.19 1.37 -0.76 0.02 0.00 0.00 176.35 177.08 9pcy s LEU 63 N -0.62 3.49 -0.14 1.79 1.43 0.17 -4.72 118.68 120.08 9pcy s LEU 63 Ca -0.07 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 51.87 9pcy s LEU 63 Cb -0.04 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 9pcy s LEU 63 CO 0.01 -1.59 -0.13 -3.20 0.23 0.00 0.00 176.35 171.66 9pcy n ASN 64 N 8.90 2.53 -4.73 2.29 4.05 -1.26 -1.22 115.26 125.81 9pcy n ASN 64 Ca 0.22 -0.02 -0.41 0.00 0.45 0.00 0.00 54.58 54.82 9pcy n ASN 64 Cb 0.50 -0.26 -0.04 0.00 1.23 0.00 0.00 39.78 41.22 9pcy n ASN 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 9pcy s ALA 65 N -2.27 3.37 0.16 5.20 0.00 -1.26 -4.83 121.76 122.13 9pcy s ALA 65 Ca -0.19 0.82 -0.34 0.00 0.00 0.00 0.00 51.96 52.26 9pcy s ALA 65 Cb 0.05 -3.37 -0.15 0.00 0.00 0.00 0.00 23.12 19.65 9pcy s ALA 65 CO 0.30 -0.26 1.33 -2.30 0.00 0.00 0.00 175.76 174.83 9pcy n PRO 66 N 2.68 1.49 0.00 0.00 -0.02 -1.26 -2.24 135.00 135.65 9pcy n PRO 66 Ca 0.04 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 9pcy n PRO 66 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 9pcy n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 9pcy n GLY 67 N 2.41 2.22 3.66 -1.23 0.00 0.31 -5.00 105.19 107.57 9pcy n GLY 67 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 1.81 -3.83 1.61 1.02 -0.95 -4.38 120.64 113.93 9pcy n GLU 68 Ca 0.00 0.66 -0.36 0.00 -0.02 0.00 0.00 57.16 57.44 9pcy n GLU 68 Cb 0.00 -2.41 -0.12 0.00 -0.02 0.00 0.00 31.44 28.89 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 2.18 4.47 -0.40 2.62 -4.23 -1.26 -0.64 115.64 118.38 9pcy s THR 69 Ca 0.87 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 9pcy s THR 69 Cb -0.80 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.01 9pcy s THR 69 CO 0.48 0.36 0.25 -0.47 -0.54 0.00 0.00 174.62 174.70 9pcy s TYR 70 N 1.32 3.26 -0.09 3.99 5.04 0.29 -4.93 117.35 126.23 9pcy s TYR 70 Ca 0.05 -1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 53.53 9pcy s TYR 70 Cb -0.15 -2.66 -0.05 0.00 0.35 0.00 0.00 41.96 39.46 9pcy s TYR 70 CO 0.04 -0.71 0.27 0.08 -1.34 0.00 0.00 175.55 173.90 9pcy s VAL 71 N 1.55 5.28 -0.10 3.14 1.01 -1.26 -0.59 120.40 129.44 9pcy s VAL 71 Ca 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 9pcy s VAL 71 Cb -0.21 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.65 9pcy s VAL 71 CO 0.06 0.54 0.21 0.54 0.00 0.00 0.00 175.10 176.45 9pcy s VAL 72 N -0.59 -0.14 -0.61 2.92 0.11 0.10 -4.97 120.40 117.23 9pcy s VAL 72 Ca 0.18 0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 59.21 9pcy s VAL 72 Cb -0.14 -0.35 0.06 0.00 -1.53 0.00 0.00 36.38 34.43 9pcy s VAL 72 CO 0.07 0.08 0.91 -0.89 -3.33 0.00 0.00 175.10 171.94 9pcy s THR 73 N 1.57 4.43 -1.02 5.04 2.01 -1.26 -0.37 115.64 126.03 9pcy s THR 73 Ca -0.06 -0.26 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 9pcy s THR 73 Cb -0.11 -4.60 0.12 0.00 0.01 0.00 0.00 72.50 67.92 9pcy s THR 73 CO -0.08 -1.29 1.28 -0.76 -0.69 0.00 0.00 174.62 173.09 9pcy s LEU 74 N 3.80 4.71 0.03 4.42 1.43 -0.56 -4.84 118.68 127.68 9pcy s LEU 74 Ca 0.23 -2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 50.96 9pcy s LEU 74 Cb -0.17 -2.44 -0.15 0.00 0.03 0.00 0.00 46.19 43.47 9pcy s LEU 74 CO 0.12 -1.08 1.35 -2.24 0.23 0.00 0.00 176.35 174.73 9pcy h ASP 75 N 8.59 0.33 -3.28 2.29 2.03 -1.86 0.94 116.42 125.45 9pcy h ASP 75 Ca 0.21 -0.47 -0.55 0.00 -0.73 0.00 0.00 57.03 55.50 9pcy h ASP 75 Cb 0.98 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 39.36 9pcy h ASP 75 CO 1.21 0.73 0.51 -0.89 -1.03 0.00 0.00 179.24 179.77 9pcy s THR 76 N -4.35 4.67 0.71 1.15 2.01 -1.26 -3.82 115.64 114.76 9pcy s THR 76 Ca -0.14 1.93 -0.14 0.00 0.31 0.00 0.00 61.69 63.65 9pcy s THR 76 Cb 0.05 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.35 9pcy s THR 76 CO 0.74 0.07 1.15 -1.59 -0.69 0.00 0.00 174.62 174.30 9pcy s LYS 77 N 1.59 2.36 0.00 4.92 0.00 -1.26 -4.84 119.74 122.51 9pcy s LYS 77 Ca 0.52 1.54 0.00 0.00 0.00 0.00 0.00 55.97 58.02 9pcy s LYS 77 Cb -0.21 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.74 9pcy s LYS 77 CO 0.23 -1.62 0.00 0.41 0.00 0.00 0.00 175.35 174.37 9pcy n GLY 78 N -0.15 2.03 3.54 0.59 0.00 0.32 -4.83 105.19 106.70 9pcy n GLY 78 Ca 0.12 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.46 5.29 -0.15 2.61 2.01 -1.26 -0.21 115.64 122.46 9pcy s THR 79 Ca 0.00 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 9pcy s THR 79 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 9pcy s THR 79 CO 0.00 0.03 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.63 9pcy s TYR 80 N 1.73 3.08 -0.11 4.92 1.51 0.27 -4.24 117.35 124.51 9pcy s TYR 80 Ca 0.06 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.91 9pcy s TYR 80 Cb -0.17 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 9pcy s TYR 80 CO 0.11 0.07 0.09 -1.12 -1.11 0.00 0.00 175.55 173.59 9pcy s SER 81 N 0.19 5.99 0.20 2.29 0.01 -0.32 -0.48 113.70 121.59 9pcy s SER 81 Ca -0.00 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 9pcy s SER 81 Cb -0.13 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 9pcy s SER 81 CO 0.02 0.38 0.15 0.72 0.41 0.00 0.00 173.24 174.92 9pcy s PHE 82 N -0.88 1.07 0.15 2.43 -0.12 -0.05 -0.78 117.98 119.80 9pcy s PHE 82 Ca 0.14 -1.32 -0.20 0.00 -0.05 0.00 0.00 56.93 55.50 9pcy s PHE 82 Cb -0.12 -0.50 0.05 0.00 -0.63 0.00 0.00 43.02 41.83 9pcy s PHE 82 CO 0.03 -0.65 0.53 1.52 -0.05 0.00 0.00 175.22 176.60 9pcy s TYR 83 N -4.14 -0.39 -0.57 3.49 -0.85 0.48 -0.52 117.35 114.86 9pcy s TYR 83 Ca 0.36 0.13 -0.17 0.00 -0.52 0.00 0.00 57.07 56.87 9pcy s TYR 83 Cb 0.07 0.45 0.12 0.00 0.38 0.00 0.00 41.96 42.98 9pcy s TYR 83 CO 0.11 -0.82 0.60 0.00 -1.52 0.00 0.00 175.55 173.92 9pcy h SER 85 N 9.01 -1.57 -0.01 0.00 4.64 -1.86 0.15 113.55 123.91 9pcy h SER 85 Ca -0.29 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 9pcy h SER 85 Cb 1.09 0.73 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 9pcy h SER 85 CO 1.07 -0.31 0.64 -0.65 -0.87 0.00 0.00 176.83 176.70 9pcy h PRO 86 N -0.15 0.00 0.00 4.77 0.11 -1.93 -1.73 132.00 133.07 9pcy h PRO 86 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 9pcy h PRO 86 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 9pcy h PRO 86 CO -0.78 0.00 -0.34 0.72 -0.21 0.00 0.00 178.00 177.39 9pcy n HIS 87 N -2.72 0.00 -0.28 0.65 8.25 0.27 -4.85 115.22 116.54 9pcy n HIS 87 Ca -0.01 -0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.22 9pcy n HIS 87 Cb 0.67 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.78 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 1.04 -0.15 -0.41 3.07 0.09 -0.37 115.11 118.38 9pcy h GLN 88 Ca 0.00 -0.09 0.04 0.00 0.09 0.00 0.00 58.65 58.69 9pcy h GLN 88 Cb 1.25 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.59 9pcy h GLN 88 CO 0.00 0.74 0.11 0.78 0.09 0.00 0.00 178.83 180.55 9pcy h GLY 89 N 1.05 0.00 -1.34 0.06 0.00 -1.87 0.61 103.07 101.58 9pcy h GLY 89 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 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 2.49 -1.01 3.60 0.00 -0.34 -4.91 120.51 117.79 9pcy n ALA 90 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 9pcy n ALA 90 Cb 0.24 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.45 3.36 0.00 0.00 0.21 -4.95 105.19 105.26 9pcy n GLY 91 Ca 0.12 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.95 3.00 -4.46 1.61 0.00 -0.30 -4.88 117.12 109.14 9pcy n MET 92 Ca -0.01 -3.04 -0.27 0.00 -0.00 0.00 0.00 57.70 54.38 9pcy n MET 92 Cb 0.02 -3.45 -0.09 0.00 0.00 0.00 0.00 33.22 29.70 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 4.36 2.05 0.25 1.12 -7.23 -1.26 -1.03 120.40 118.65 9pcy s VAL 93 Ca 0.53 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 9pcy s VAL 93 Cb 0.06 -2.94 0.06 0.00 0.56 0.00 0.00 36.38 34.13 9pcy s VAL 93 CO 0.04 0.00 0.93 -0.83 -0.31 0.00 0.00 175.10 174.93 9pcy s GLY 94 N -3.79 0.11 0.04 2.32 0.00 0.32 -4.54 107.32 101.78 9pcy s GLY 94 Ca 0.35 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.50 9pcy s GLY 94 CO 0.19 0.96 0.46 1.25 0.00 0.00 0.00 173.10 175.96 9pcy s LYS 95 N -2.55 0.97 -0.08 2.90 2.20 0.19 -0.88 119.74 122.49 9pcy s LYS 95 Ca 0.17 -0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 9pcy s LYS 95 Cb -0.03 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.76 9pcy s LYS 95 CO 0.07 -0.34 0.21 0.54 -0.36 0.00 0.00 175.35 175.47 9pcy s VAL 96 N -2.40 -0.03 -0.70 4.02 0.11 0.37 -2.58 120.40 119.21 9pcy s VAL 96 Ca -0.06 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.94 9pcy s VAL 96 Cb -0.01 -0.31 0.18 0.00 -1.53 0.00 0.00 36.38 34.71 9pcy s VAL 96 CO -0.02 0.04 0.64 -0.89 -3.33 0.00 0.00 175.10 171.55 9pcy s THR 97 N 0.76 5.41 -0.22 5.04 2.01 0.41 -0.56 115.64 128.49 9pcy s THR 97 Ca -0.05 -2.04 -0.29 0.00 0.31 0.00 0.00 61.69 59.61 9pcy s THR 97 Cb -0.07 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 68.05 9pcy s THR 97 CO -0.04 -0.96 1.03 -0.69 -0.69 0.00 0.00 174.62 173.27 9pcy s VAL 98 N 0.80 4.69 0.00 3.82 1.01 0.70 -0.95 120.40 130.47 9pcy s VAL 98 Ca 0.11 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.11 9pcy s VAL 98 Cb -0.19 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.89 9pcy s VAL 98 CO -0.04 -0.17 0.00 -0.46 0.00 0.00 0.00 175.10 174.44