#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 4.24 -0.17 1.96 2.02 -1.26 -0.66 118.70 124.82 9pcy s GLU 2 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 9pcy s GLU 2 Cb 0.00 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.76 9pcy s GLU 2 CO 0.00 0.09 -0.17 0.08 0.02 0.00 0.00 175.26 175.28 9pcy s VAL 3 N 0.90 2.35 -0.13 2.63 1.01 0.28 -4.59 120.40 122.85 9pcy s VAL 3 Ca 0.20 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 9pcy s VAL 3 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 9pcy s VAL 3 CO 0.07 0.52 0.58 -0.76 0.00 0.00 0.00 175.10 175.52 9pcy s LEU 4 N 1.15 4.24 -0.76 3.92 1.43 0.45 -0.42 118.68 128.69 9pcy s LEU 4 Ca 0.01 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 9pcy s LEU 4 Cb -0.14 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.30 9pcy s LEU 4 CO -0.07 -0.12 1.08 -0.76 0.23 0.00 0.00 176.35 176.71 9pcy s LEU 5 N 1.08 4.30 0.00 1.79 1.43 0.36 -0.71 118.68 126.93 9pcy s LEU 5 Ca 0.30 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 9pcy s LEU 5 Cb -0.16 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.61 9pcy s LEU 5 CO 0.12 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.90 9pcy n GLY 6 N 5.52 2.37 1.82 -3.19 0.00 0.53 -1.20 105.19 111.05 9pcy n GLY 6 Ca 0.07 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 9pcy n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9pcy n SER 7 N 0.00 5.66 0.00 1.61 3.41 -1.09 -4.32 113.62 118.89 9pcy n SER 7 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 9pcy n SER 7 Cb 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 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 1.49 0.88 1.30 5.00 0.00 -1.26 -4.64 105.19 107.96 9pcy n GLY 8 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 2.04 2.60 0.00 1.61 5.75 -1.26 -4.74 116.55 122.55 9pcy n ASP 9 Ca 0.00 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 9pcy n ASP 9 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 1.13 1.21 3.71 6.12 0.00 -1.26 -4.94 105.19 111.16 9pcy n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.22 6.45 -1.14 1.61 0.15 -1.26 -4.18 113.70 113.11 9pcy s SER 11 Ca 0.00 2.77 -0.15 0.00 0.70 0.00 0.00 55.95 59.27 9pcy s SER 11 Cb 0.00 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 9pcy s SER 11 CO 0.00 -0.93 2.21 0.18 1.20 0.00 0.00 173.24 175.89 9pcy n LEU 12 N 4.28 5.82 -4.08 3.45 4.77 -1.26 -2.69 117.00 127.30 9pcy n LEU 12 Ca 0.16 -3.51 -0.14 0.00 -0.03 0.00 0.00 56.01 52.48 9pcy n LEU 12 Cb 0.37 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 39.99 9pcy n LEU 12 CO 0.63 0.65 -0.41 0.68 -1.33 0.00 0.00 177.39 177.61 9pcy s VAL 13 N 3.72 0.63 0.01 4.08 -7.23 -1.26 -4.14 120.40 116.22 9pcy s VAL 13 Ca 0.53 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 9pcy s VAL 13 Cb 0.14 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.35 9pcy s VAL 13 CO -0.00 -0.33 0.63 -0.36 -0.31 0.00 0.00 175.10 174.72 9pcy s PHE 14 N -1.31 3.71 -0.24 2.82 0.40 -1.26 -0.34 117.98 121.75 9pcy s PHE 14 Ca -0.08 1.26 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 9pcy s PHE 14 Cb -0.10 -2.64 0.06 0.00 0.51 0.00 0.00 43.02 40.85 9pcy s PHE 14 CO 0.01 0.36 -0.09 0.08 0.70 0.00 0.00 175.22 176.28 9pcy s VAL 15 N -0.27 1.86 0.54 -0.44 1.01 0.11 -1.55 120.40 121.67 9pcy s VAL 15 Ca 0.32 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 9pcy s VAL 15 Cb -0.19 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 9pcy s VAL 15 CO 0.18 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.18 9pcy s PRO 16 N 1.25 3.47 -0.13 2.72 0.04 -1.26 -0.41 135.00 140.68 9pcy s PRO 16 Ca -0.07 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 9pcy s PRO 16 Cb -0.19 -2.04 -0.27 0.00 0.04 0.00 0.00 34.50 32.04 9pcy s PRO 16 CO -0.06 -0.71 0.76 0.77 0.04 0.00 0.00 177.00 177.79 9pcy h SER 17 N 1.04 0.09 -3.33 6.66 0.02 -1.63 -3.45 113.55 112.95 9pcy h SER 17 Ca -0.49 -0.96 -0.68 0.00 -0.84 0.00 0.00 61.79 58.82 9pcy h SER 17 Cb 1.23 -0.03 -0.33 0.00 0.14 0.00 0.00 62.40 63.41 9pcy h SER 17 CO 0.58 1.11 -0.88 -0.70 -1.14 0.00 0.00 176.83 175.80 9pcy s GLU 18 N -2.27 3.05 0.23 3.45 2.12 -1.26 -0.36 118.70 123.66 9pcy s GLU 18 Ca -0.19 -0.88 -0.07 0.00 0.36 0.00 0.00 54.97 54.20 9pcy s GLU 18 Cb -0.02 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 32.08 9pcy s GLU 18 CO 0.71 0.16 0.42 1.97 -0.54 0.00 0.00 175.26 177.98 9pcy n PHE 19 N 3.58 -1.63 -4.15 5.30 -1.74 -0.76 -4.97 117.46 113.09 9pcy n PHE 19 Ca -0.19 -1.16 -0.16 0.00 -0.56 0.00 0.00 57.45 55.38 9pcy n PHE 19 Cb 0.53 0.50 -0.12 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 -2.23 1.12 -0.08 5.98 0.01 -1.26 -0.40 113.70 116.83 9pcy s SER 20 Ca 0.11 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 9pcy s SER 20 Cb -0.02 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.21 9pcy s SER 20 CO 0.08 -0.10 0.21 0.54 0.41 0.00 0.00 173.24 174.38 9pcy s VAL 21 N -1.10 -0.00 0.27 3.43 0.11 0.28 -4.86 120.40 118.53 9pcy s VAL 21 Ca -0.05 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.72 9pcy s VAL 21 Cb -0.09 -0.30 -0.13 0.00 -1.53 0.00 0.00 36.38 34.33 9pcy s VAL 21 CO 0.01 0.01 1.28 -2.65 -3.33 0.00 0.00 175.10 170.41 9pcy n PRO 22 N 3.09 1.87 -1.65 1.54 -0.02 -1.26 -0.45 135.00 138.12 9pcy n PRO 22 Ca -0.14 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 9pcy n PRO 22 Cb 0.58 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 9pcy n PRO 22 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 9pcy s SER 23 N -0.07 6.17 0.00 2.55 0.01 -1.26 -1.09 113.70 120.01 9pcy s SER 23 Ca 0.63 2.46 0.00 0.00 1.31 0.00 0.00 55.95 60.35 9pcy s SER 23 Cb -0.65 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.05 9pcy s SER 23 CO 0.56 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.50 9pcy n GLY 24 N 4.89 2.29 3.79 3.44 0.00 0.29 -4.90 105.19 114.99 9pcy n GLY 24 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.53 2.82 -0.07 1.61 0.41 -0.25 -4.66 118.70 118.03 9pcy s GLU 25 Ca 0.00 1.18 -0.15 0.00 -0.41 0.00 0.00 54.97 55.59 9pcy s GLU 25 Cb 0.00 -1.97 -0.05 0.00 -1.78 0.00 0.00 34.13 30.33 9pcy s GLU 25 CO 0.00 -1.21 0.39 -1.59 -0.49 0.00 0.00 175.26 172.37 9pcy s LYS 26 N -4.53 4.09 -0.18 1.61 -2.85 -1.26 -3.20 119.74 113.41 9pcy s LYS 26 Ca 0.62 0.33 -0.08 0.00 -1.00 0.00 0.00 55.97 55.85 9pcy s LYS 26 Cb -0.17 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 32.23 9pcy s LYS 26 CO 0.47 0.45 0.09 0.42 0.10 0.00 0.00 175.35 176.88 9pcy s ILE 27 N -0.27 5.02 -0.40 3.79 1.01 0.67 -0.45 121.20 130.58 9pcy s ILE 27 Ca 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 9pcy s ILE 27 Cb -0.15 -3.27 0.11 0.00 0.01 0.00 0.00 42.46 39.16 9pcy s ILE 27 CO 0.10 0.47 0.17 -0.69 0.00 0.00 0.00 174.94 174.98 9pcy s VAL 28 N 0.26 2.99 -0.61 2.92 1.01 0.16 -1.39 120.40 125.74 9pcy s VAL 28 Ca 0.06 -2.19 -0.24 0.00 0.00 0.00 0.00 61.98 59.60 9pcy s VAL 28 Cb -0.12 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.23 9pcy s VAL 28 CO -0.00 -0.67 0.99 -0.36 0.00 0.00 0.00 175.10 175.06 9pcy s PHE 29 N 1.01 2.69 -0.19 5.22 0.08 0.38 -0.56 117.98 126.61 9pcy s PHE 29 Ca 0.09 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 9pcy s PHE 29 Cb -0.22 -4.23 -0.05 0.00 -0.57 0.00 0.00 43.02 37.96 9pcy s PHE 29 CO -0.05 -1.55 0.21 0.21 -0.10 0.00 0.00 175.22 173.93 9pcy s LYS 30 N 4.21 4.19 -0.27 0.44 2.20 0.44 -0.46 119.74 130.49 9pcy s LYS 30 Ca 0.28 -0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.51 9pcy s LYS 30 Cb -0.14 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 9pcy s LYS 30 CO 0.16 0.21 1.98 1.21 -0.36 0.00 0.00 175.35 178.55 9pcy s ASN 31 N 0.57 5.73 -0.08 1.43 2.47 0.37 -0.49 114.94 124.94 9pcy s ASN 31 Ca 0.11 1.60 -0.08 0.00 0.42 0.00 0.00 52.86 54.91 9pcy s ASN 31 Cb -0.12 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 9pcy s ASN 31 CO 0.02 -1.79 -0.16 -3.20 -3.72 0.00 0.00 177.10 168.25 9pcy n ASN 32 N 10.78 0.97 -3.85 -4.21 5.15 -0.57 -0.51 115.26 123.03 9pcy n ASN 32 Ca 0.26 0.16 -0.08 0.00 -0.60 0.00 0.00 54.58 54.32 9pcy n ASN 32 Cb 0.46 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.11 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 -2.83 -0.95 -1.39 5.20 0.00 -0.34 -4.80 121.76 116.65 9pcy s ALA 33 Ca -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.44 9pcy s ALA 33 Cb 0.02 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.04 9pcy s ALA 33 CO 0.20 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.43 9pcy n GLY 34 N -0.41 0.66 3.78 0.00 0.00 -1.26 -3.83 105.19 104.13 9pcy n GLY 34 Ca -0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.63 2.52 0.82 1.61 -0.12 -1.26 -4.80 117.98 114.12 9pcy s PHE 35 Ca 0.00 0.89 -0.11 0.00 -0.05 0.00 0.00 56.93 57.66 9pcy s PHE 35 Cb 0.00 -3.36 0.08 0.00 -0.63 0.00 0.00 43.02 39.11 9pcy s PHE 35 CO 0.00 -2.35 1.09 -1.25 -0.05 0.00 0.00 175.22 172.66 9pcy s PRO 36 N -5.25 1.89 0.30 1.99 0.04 -1.26 -5.09 135.00 127.62 9pcy s PRO 36 Ca 0.64 0.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 9pcy s PRO 36 Cb -0.15 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 9pcy s PRO 36 CO 0.54 -1.85 0.45 -1.01 0.04 0.00 0.00 177.00 175.17 9pcy s HIS 37 N -2.94 0.81 0.29 0.56 3.76 -0.02 -4.86 115.29 112.90 9pcy s HIS 37 Ca 0.62 -1.10 -0.19 0.00 -0.15 0.00 0.00 55.06 54.24 9pcy s HIS 37 Cb -0.17 -0.01 0.07 0.00 1.11 0.00 0.00 32.58 33.58 9pcy s HIS 37 CO 0.56 -1.06 0.91 0.54 -0.85 0.00 0.00 174.74 174.84 9pcy s ASN 38 N -3.15 0.01 -0.08 1.40 4.22 -1.26 -0.10 114.94 115.98 9pcy s ASN 38 Ca 0.28 -0.94 -0.02 0.00 -2.14 0.00 0.00 52.86 50.04 9pcy s ASN 38 Cb 0.00 0.69 0.04 0.00 1.28 0.00 0.00 41.25 43.26 9pcy s ASN 38 CO 0.15 -1.37 0.05 -0.69 -2.04 0.00 0.00 177.10 173.20 9pcy s VAL 39 N -2.21 0.06 -0.03 3.54 1.01 -1.26 -4.19 120.40 117.32 9pcy s VAL 39 Ca 0.19 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.41 9pcy s VAL 39 Cb -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 9pcy s VAL 39 CO 0.09 0.09 -0.24 -0.69 0.00 0.00 0.00 175.10 174.35 9pcy s VAL 40 N 2.09 1.89 -0.15 2.92 1.01 0.30 -0.64 120.40 127.83 9pcy s VAL 40 Ca 0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 9pcy s VAL 40 Cb -0.13 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 9pcy s VAL 40 CO -0.05 0.53 0.25 -0.36 0.00 0.00 0.00 175.10 175.48 9pcy s PHE 41 N -0.39 3.48 -0.10 5.22 0.08 -1.26 -0.29 117.98 124.72 9pcy s PHE 41 Ca 0.04 0.57 -0.29 0.00 0.12 0.00 0.00 56.93 57.37 9pcy s PHE 41 Cb -0.11 -2.26 -0.06 0.00 -0.57 0.00 0.00 43.02 40.02 9pcy s PHE 41 CO 0.01 0.33 1.91 0.34 -0.10 0.00 0.00 175.22 177.71 9pcy s ASP 42 N 0.18 6.20 0.55 1.36 -1.08 0.17 -4.87 116.67 119.18 9pcy s ASP 42 Ca 0.15 2.18 0.35 0.00 -0.52 0.00 0.00 52.55 54.71 9pcy s ASP 42 Cb -0.13 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.33 9pcy s ASP 42 CO 0.03 -1.32 1.81 1.05 0.52 0.00 0.00 175.17 177.26 9pcy h GLU 43 N 11.66 0.00 0.00 4.34 9.09 -1.96 -2.64 114.58 135.07 9pcy h GLU 43 Ca -0.42 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.80 9pcy h GLU 43 Cb 1.21 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.28 9pcy h GLU 43 CO 0.96 0.00 -1.12 -0.25 0.05 0.00 0.00 179.01 178.65 9pcy n ASP 44 N -4.13 1.85 -3.15 3.06 8.00 -1.26 -4.53 116.55 116.39 9pcy n ASP 44 Ca 0.24 0.47 -0.36 0.00 0.71 0.00 0.00 54.79 55.85 9pcy n ASP 44 Cb 1.19 -0.94 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 9pcy n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 9pcy n GLU 45 N -4.47 3.49 -3.74 -1.24 1.02 -1.00 -4.75 120.64 109.96 9pcy n GLU 45 Ca -0.27 -2.05 -0.13 0.00 -0.02 0.00 0.00 57.16 54.69 9pcy n GLU 45 Cb 0.59 -2.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.23 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 2.04 0.06 -0.05 -3.67 -4.36 -1.24 -0.96 121.20 113.02 9pcy s ILE 46 Ca 0.69 -0.48 -0.29 0.00 -0.26 0.00 0.00 60.65 60.31 9pcy s ILE 46 Cb 0.20 -0.73 -0.07 0.00 1.25 0.00 0.00 42.46 43.11 9pcy s ILE 46 CO -0.05 -0.27 1.95 -2.16 0.24 0.00 0.00 174.94 174.65 9pcy s PRO 47 N -1.64 3.91 -0.28 0.37 0.04 -1.26 -4.86 135.00 131.29 9pcy s PRO 47 Ca -0.11 2.36 -0.41 0.00 0.04 0.00 0.00 61.00 62.88 9pcy s PRO 47 Cb -0.04 -4.17 -0.16 0.00 0.04 0.00 0.00 34.50 30.17 9pcy s PRO 47 CO 0.03 -1.20 1.69 0.00 0.04 0.00 0.00 177.00 177.56 9pcy n ALA 48 N 8.40 -0.42 0.00 8.56 0.00 -1.26 -2.02 120.51 133.77 9pcy n ALA 48 Ca 0.21 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.06 9pcy n ALA 48 Cb 0.42 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 4.03 3.47 3.55 0.00 0.00 -1.26 -5.05 105.19 109.93 9pcy n GLY 49 Ca 0.26 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 3.75 -0.21 1.61 1.01 -0.86 -4.94 120.40 120.73 9pcy s VAL 50 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 61.98 61.49 9pcy s VAL 50 Cb 0.00 -4.82 -0.10 0.00 0.00 0.00 0.00 36.38 31.46 9pcy s VAL 50 CO 0.00 -1.74 2.05 -0.67 0.00 0.00 0.00 175.10 174.74 9pcy n ASP 51 N 9.85 2.95 -0.31 3.32 -0.08 -1.26 -4.85 116.55 126.18 9pcy n ASP 51 Ca 0.20 0.64 0.15 0.00 -1.51 0.00 0.00 54.79 54.27 9pcy n ASP 51 Cb 0.50 -1.36 0.32 0.00 2.34 0.00 0.00 41.12 42.92 9pcy n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 9pcy h ALA 52 N 11.35 1.40 -0.21 -1.67 0.00 -1.91 0.89 119.26 129.10 9pcy h ALA 52 Ca -0.40 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.79 9pcy h ALA 52 Cb 1.28 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 9pcy h ALA 52 CO 0.97 -0.48 0.17 0.28 0.00 0.00 0.00 179.25 180.19 9pcy h VAL 53 N 0.24 0.78 0.12 0.00 2.07 -1.88 0.27 116.25 117.84 9pcy h VAL 53 Ca 0.58 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.83 9pcy h VAL 53 Cb 1.20 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 9pcy h VAL 53 CO -0.64 0.00 -1.21 0.11 0.02 0.00 0.00 177.57 175.84 9pcy h LYS 54 N 0.00 0.35 0.00 1.57 1.57 -1.19 -3.33 116.57 115.55 9pcy h LYS 54 Ca 0.10 -0.54 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 9pcy h LYS 54 Cb 0.43 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 9pcy h LYS 54 CO -0.00 1.23 -1.16 -0.84 -0.57 0.00 0.00 179.45 178.11 9pcy h ILE 55 N 0.13 0.69 -3.43 1.86 3.07 -1.36 -3.47 117.51 114.99 9pcy h ILE 55 Ca -0.14 -2.19 -0.54 0.00 1.55 0.00 0.00 64.86 63.54 9pcy h ILE 55 Cb 1.92 2.21 -0.03 0.00 -0.27 0.00 0.00 36.82 40.64 9pcy h ILE 55 CO 0.21 0.40 -0.09 -0.44 -1.05 0.00 0.00 178.15 177.17 9pcy s SER 56 N -6.04 6.69 -0.21 2.16 0.01 0.87 -4.84 113.70 112.34 9pcy s SER 56 Ca -0.01 0.99 -0.29 0.00 1.31 0.00 0.00 55.95 57.96 9pcy s SER 56 Cb 0.08 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 64.06 9pcy s SER 56 CO 0.80 -0.04 1.01 -0.04 0.41 0.00 0.00 173.24 175.38 9pcy s MET 57 N -2.59 4.27 0.12 12.44 -1.94 0.19 -4.83 119.30 126.96 9pcy s MET 57 Ca 0.45 1.32 -0.35 0.00 -1.71 0.00 0.00 55.69 55.40 9pcy s MET 57 Cb -0.12 -3.63 -0.17 0.00 2.01 0.00 0.00 34.83 32.93 9pcy s MET 57 CO 0.20 -0.57 1.20 -2.30 -0.01 0.00 0.00 175.02 173.54 9pcy n PRO 58 N 6.11 0.98 -1.00 2.03 -0.02 -1.26 -4.69 135.00 137.14 9pcy n PRO 58 Ca 0.11 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 9pcy n PRO 58 Cb 0.47 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 9pcy n PRO 58 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 9pcy n GLU 59 N 2.00 1.34 0.00 -0.52 1.02 -1.26 -1.00 120.64 122.22 9pcy n GLU 59 Ca 0.17 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 9pcy n GLU 59 Cb 0.20 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 9pcy n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 9pcy n GLU 60 N 6.82 0.00 -2.73 3.49 1.02 -1.26 -5.12 120.64 122.86 9pcy n GLU 60 Ca 0.48 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.28 9pcy n GLU 60 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.73 9pcy n GLU 60 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 9pcy s GLU 61 N -1.80 4.19 0.19 3.49 2.02 -0.17 -5.07 118.70 121.56 9pcy s GLU 61 Ca 0.00 1.24 -0.23 0.00 0.02 0.00 0.00 54.97 56.01 9pcy s GLU 61 Cb 0.00 -2.29 0.06 0.00 0.10 0.00 0.00 34.13 31.99 9pcy s GLU 61 CO 0.00 -0.08 0.64 -0.48 0.02 0.00 0.00 175.26 175.36 9pcy s LEU 62 N -3.02 -0.48 -0.15 1.80 0.05 -1.26 -4.76 118.68 110.85 9pcy s LEU 62 Ca 0.61 -0.17 -0.07 0.00 0.05 0.00 0.00 54.13 54.55 9pcy s LEU 62 Cb -0.13 2.61 -0.04 0.00 -2.05 0.00 0.00 46.19 46.58 9pcy s LEU 62 CO 0.18 -1.06 0.09 -0.76 -0.55 0.00 0.00 176.35 174.24 9pcy s LEU 63 N -2.79 4.01 0.00 1.48 1.43 0.86 -4.95 118.68 118.72 9pcy s LEU 63 Ca 0.04 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 9pcy s LEU 63 Cb -0.02 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.20 9pcy s LEU 63 CO -0.07 0.27 0.00 -3.20 0.23 0.00 0.00 176.35 173.57 9pcy n ASN 64 N 2.91 0.10 -4.72 2.29 5.15 -1.26 -0.84 115.26 118.88 9pcy n ASN 64 Ca -0.18 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.39 9pcy n ASN 64 Cb 0.53 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.64 3.55 0.09 5.20 0.00 -1.26 -4.85 121.76 122.85 9pcy s ALA 65 Ca 0.00 1.08 -0.36 0.00 0.00 0.00 0.00 51.96 52.67 9pcy s ALA 65 Cb 0.00 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 9pcy s ALA 65 CO 0.00 -0.57 1.34 -2.30 0.00 0.00 0.00 175.76 174.24 9pcy n PRO 66 N 3.59 1.20 0.00 0.00 -0.02 -1.26 -2.05 135.00 136.46 9pcy n PRO 66 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 9pcy n PRO 66 Cb 0.43 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.54 3.32 3.66 -1.23 0.00 0.33 -5.01 105.19 108.80 9pcy n GLY 67 Ca 0.18 0.00 -0.52 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 -1.34 1.54 -4.17 1.61 1.02 -0.87 -4.30 120.64 114.13 9pcy n GLU 68 Ca 0.00 0.56 -0.35 0.00 -0.02 0.00 0.00 57.16 57.35 9pcy n GLU 68 Cb 0.00 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.06 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 2.09 4.77 -0.23 2.62 -4.23 -1.26 -0.48 115.64 118.92 9pcy s THR 69 Ca 0.89 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 9pcy s THR 69 Cb -0.88 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 69.93 9pcy s THR 69 CO 0.51 0.58 -0.11 -0.47 -0.54 0.00 0.00 174.62 174.58 9pcy s TYR 70 N -0.98 3.04 -0.11 3.99 5.04 0.39 -4.96 117.35 123.76 9pcy s TYR 70 Ca 0.15 -1.78 -0.05 0.00 -2.44 0.00 0.00 57.07 52.96 9pcy s TYR 70 Cb -0.12 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 9pcy s TYR 70 CO 0.04 -0.79 0.07 0.08 -1.34 0.00 0.00 175.55 173.61 9pcy s VAL 71 N 1.26 4.89 0.05 3.14 1.01 -1.26 -0.47 120.40 129.01 9pcy s VAL 71 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 9pcy s VAL 71 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 9pcy s VAL 71 CO -0.07 0.60 0.09 0.54 0.00 0.00 0.00 175.10 176.26 9pcy s VAL 72 N -0.88 0.15 -0.08 2.92 0.11 -0.48 -5.00 120.40 117.14 9pcy s VAL 72 Ca 0.13 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 9pcy s VAL 72 Cb -0.12 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 9pcy s VAL 72 CO 0.03 -0.67 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.19 9pcy s THR 73 N -2.93 0.74 -0.40 5.04 2.01 -1.26 -0.24 115.64 118.60 9pcy s THR 73 Ca -0.02 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 9pcy s THR 73 Cb 0.01 -0.78 0.10 0.00 0.01 0.00 0.00 72.50 71.83 9pcy s THR 73 CO -0.06 0.30 0.20 -0.76 -0.69 0.00 0.00 174.62 173.61 9pcy s LEU 74 N 1.45 5.11 -0.05 4.42 1.43 -1.19 -4.94 118.68 124.91 9pcy s LEU 74 Ca -0.02 -1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 51.08 9pcy s LEU 74 Cb -0.13 -1.86 -0.31 0.00 0.03 0.00 0.00 46.19 43.92 9pcy s LEU 74 CO -0.04 -0.52 0.79 -2.24 0.23 0.00 0.00 176.35 174.57 9pcy h ASP 75 N 8.15 0.55 -3.06 2.29 2.03 -1.88 0.83 116.42 125.33 9pcy h ASP 75 Ca -0.17 -0.92 -0.57 0.00 -0.73 0.00 0.00 57.03 54.65 9pcy h ASP 75 Cb 1.06 -0.18 -0.04 0.00 -0.83 0.00 0.00 39.33 39.34 9pcy h ASP 75 CO 0.70 1.58 1.08 -0.89 -1.03 0.00 0.00 179.24 180.69 9pcy s THR 76 N -2.50 3.87 0.71 1.15 2.01 -1.26 -4.13 115.64 115.49 9pcy s THR 76 Ca -0.15 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 62.63 9pcy s THR 76 Cb 0.03 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.55 9pcy s THR 76 CO 0.84 -0.54 1.26 -1.59 -0.69 0.00 0.00 174.62 173.91 9pcy s LYS 77 N 4.76 2.21 0.00 4.92 -2.85 -1.26 -4.88 119.74 122.64 9pcy s LYS 77 Ca 0.64 1.96 0.00 0.00 -1.00 0.00 0.00 55.97 57.57 9pcy s LYS 77 Cb -0.18 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 9pcy s LYS 77 CO 0.29 -1.83 0.00 0.41 0.10 0.00 0.00 175.35 174.32 9pcy n GLY 78 N 0.76 -0.21 3.31 0.59 0.00 -0.08 -4.86 105.19 104.70 9pcy n GLY 78 Ca 0.15 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 9pcy n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 9pcy s THR 79 N -2.64 3.05 -0.21 2.61 2.01 -1.26 0.09 115.64 119.29 9pcy s THR 79 Ca 0.00 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.39 9pcy s THR 79 Cb 0.00 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.22 9pcy s THR 79 CO 0.00 0.49 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.96 9pcy s TYR 80 N 0.92 2.88 0.04 4.92 1.51 0.12 -3.77 117.35 123.98 9pcy s TYR 80 Ca -0.02 -1.90 -0.18 0.00 -1.01 0.00 0.00 57.07 53.96 9pcy s TYR 80 Cb -0.15 -1.86 -0.06 0.00 -0.11 0.00 0.00 41.96 39.78 9pcy s TYR 80 CO -0.00 -0.82 0.52 -1.12 -1.11 0.00 0.00 175.55 173.02 9pcy s SER 81 N 1.24 6.98 0.17 2.29 0.01 -0.14 -0.67 113.70 123.59 9pcy s SER 81 Ca -0.02 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.41 9pcy s SER 81 Cb -0.16 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 9pcy s SER 81 CO -0.09 0.28 0.03 0.72 0.41 0.00 0.00 173.24 174.59 9pcy s PHE 82 N -1.03 1.15 0.14 2.43 -0.12 0.24 -0.66 117.98 120.12 9pcy s PHE 82 Ca 0.27 -1.11 -0.16 0.00 -0.05 0.00 0.00 56.93 55.89 9pcy s PHE 82 Cb -0.19 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 9pcy s PHE 82 CO 0.17 -0.33 0.40 1.52 -0.05 0.00 0.00 175.22 176.94 9pcy s TYR 83 N -3.79 -0.14 -0.48 3.49 1.13 0.60 -0.75 117.35 117.41 9pcy s TYR 83 Ca 0.26 -0.19 -0.13 0.00 -1.41 0.00 0.00 57.07 55.60 9pcy s TYR 83 Cb 0.07 0.25 0.10 0.00 -1.10 0.00 0.00 41.96 41.27 9pcy s TYR 83 CO 0.05 -0.73 0.38 0.00 -2.51 0.00 0.00 175.55 172.73 9pcy h SER 85 N 8.64 -1.49 0.00 0.00 0.02 -1.87 0.15 113.55 119.00 9pcy h SER 85 Ca -0.26 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 9pcy h SER 85 Cb 1.09 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.32 9pcy h SER 85 CO 0.89 -0.33 0.41 -0.65 -1.14 0.00 0.00 176.83 176.01 9pcy h PRO 86 N -0.20 0.00 0.00 3.45 0.11 -1.93 -1.15 132.00 132.28 9pcy h PRO 86 Ca 0.19 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 9pcy h PRO 86 Cb 0.56 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.51 9pcy h PRO 86 CO -0.71 0.00 -0.65 0.72 -0.21 0.00 0.00 178.00 177.15 9pcy n HIS 87 N -2.53 0.00 0.04 0.65 8.25 0.31 -4.86 115.22 117.08 9pcy n HIS 87 Ca -0.01 -0.59 -0.12 0.00 -0.26 0.00 0.00 57.72 56.73 9pcy n HIS 87 Cb 0.44 -0.14 -0.08 0.00 1.12 0.00 0.00 29.99 31.34 9pcy n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 9pcy h GLN 88 N 0.57 -0.03 -0.56 -0.41 4.15 0.36 -0.45 115.11 118.74 9pcy h GLN 88 Ca -0.09 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.42 9pcy h GLN 88 Cb 1.48 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.14 9pcy h GLN 88 CO 0.04 0.06 0.38 0.78 -1.93 0.00 0.00 178.83 178.16 9pcy h GLY 89 N -0.11 0.52 0.78 2.39 0.00 -1.88 0.70 103.07 105.46 9pcy h GLY 89 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.17 9pcy h GLY 89 CO 0.01 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.64 9pcy n ALA 90 N -2.53 2.64 -1.19 3.60 0.00 -0.84 -4.90 120.51 117.30 9pcy n ALA 90 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 9pcy n ALA 90 Cb 0.36 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.88 0.38 3.58 0.00 0.00 0.24 -4.96 105.19 105.31 9pcy n GLY 91 Ca 0.19 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.38 3.77 0.37 1.61 -2.45 -0.24 -4.88 119.30 115.10 9pcy s MET 92 Ca 0.00 -1.82 0.05 0.00 -1.25 0.00 0.00 55.69 52.67 9pcy s MET 92 Cb 0.00 -5.49 -0.07 0.00 1.25 0.00 0.00 34.83 30.52 9pcy s MET 92 CO 0.00 -2.48 0.04 0.14 1.05 0.00 0.00 175.02 173.76 9pcy s VAL 93 N 5.17 1.56 0.14 10.11 -7.23 -1.26 -0.99 120.40 127.90 9pcy s VAL 93 Ca 0.55 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 9pcy s VAL 93 Cb 0.03 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 34.18 9pcy s VAL 93 CO 0.07 0.00 1.09 -0.83 -0.31 0.00 0.00 175.10 175.12 9pcy s GLY 94 N -3.60 0.05 -0.01 2.32 0.00 0.08 -4.49 107.32 101.66 9pcy s GLY 94 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 9pcy s GLY 94 CO 0.16 2.93 0.27 0.54 0.00 0.00 0.00 173.10 177.01 9pcy s LYS 95 N -2.18 0.62 -0.03 2.90 1.02 0.51 -0.59 119.74 121.99 9pcy s LYS 95 Ca 0.23 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.00 9pcy s LYS 95 Cb -0.02 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 9pcy s LYS 95 CO 0.04 -0.16 -0.04 0.54 -0.92 0.00 0.00 175.35 174.80 9pcy s VAL 96 N -1.31 0.45 -0.50 3.17 0.11 0.16 -1.84 120.40 120.64 9pcy s VAL 96 Ca -0.14 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 58.64 9pcy s VAL 96 Cb -0.06 -0.47 0.09 0.00 -1.53 0.00 0.00 36.38 34.41 9pcy s VAL 96 CO 0.04 0.19 0.48 -0.89 -3.33 0.00 0.00 175.10 171.58 9pcy s THR 97 N 0.68 5.15 -0.66 5.04 2.01 0.46 -0.70 115.64 127.62 9pcy s THR 97 Ca -0.08 -1.10 -0.26 0.00 0.31 0.00 0.00 61.69 60.56 9pcy s THR 97 Cb -0.12 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.20 9pcy s THR 97 CO -0.00 -0.72 1.15 -0.69 -0.69 0.00 0.00 174.62 173.66 9pcy s VAL 98 N 1.83 4.01 0.00 3.82 1.01 0.11 -0.56 120.40 130.63 9pcy s VAL 98 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.38 9pcy s VAL 98 Cb -0.25 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.36 9pcy s VAL 98 CO 0.06 -1.55 0.13 -0.46 0.00 0.00 0.00 175.10 173.28