#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 3.16 -0.24 3.23 2.02 -1.26 -0.84 118.70 124.77 9pcy s GLU 2 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 9pcy s GLU 2 Cb 0.00 -4.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.01 9pcy s GLU 2 CO 0.00 -1.66 0.16 0.08 0.02 0.00 0.00 175.26 173.86 9pcy s VAL 3 N 3.83 5.36 -0.27 2.63 1.01 0.71 -4.65 120.40 129.01 9pcy s VAL 3 Ca 0.23 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 9pcy s VAL 3 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 9pcy s VAL 3 CO 0.12 0.35 0.69 -0.76 0.00 0.00 0.00 175.10 175.50 9pcy s LEU 4 N 1.03 4.08 -0.66 3.92 1.43 0.39 -0.47 118.68 128.40 9pcy s LEU 4 Ca 0.08 0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 53.63 9pcy s LEU 4 Cb -0.13 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.19 9pcy s LEU 4 CO 0.04 -0.45 1.10 -0.76 0.23 0.00 0.00 176.35 176.51 9pcy s LEU 5 N 2.65 3.76 0.00 1.79 1.43 0.61 -0.88 118.68 128.05 9pcy s LEU 5 Ca 0.28 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 9pcy s LEU 5 Cb -0.15 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.42 9pcy s LEU 5 CO 0.10 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 175.74 9pcy n GLY 6 N 5.27 -1.67 3.34 -3.19 0.00 0.11 -0.72 105.19 108.33 9pcy n GLY 6 Ca 0.01 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 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 -4.00 -0.35 0.43 1.61 1.04 -1.06 -4.38 113.70 106.99 9pcy s SER 7 Ca 0.00 0.29 0.20 0.00 0.48 0.00 0.00 55.95 56.92 9pcy s SER 7 Cb 0.00 0.40 1.15 0.00 0.10 0.00 0.00 66.02 67.66 9pcy s SER 7 CO 0.00 -0.52 1.82 1.23 0.98 0.00 0.00 173.24 176.76 9pcy h GLY 8 N 3.51 0.87 1.50 7.32 0.00 -1.90 0.18 103.07 114.55 9pcy h GLY 8 Ca -0.29 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.87 9pcy h GLY 8 CO 0.40 -0.05 0.00 2.09 0.00 0.00 0.00 176.54 178.98 9pcy n ASP 9 N -4.51 0.00 0.00 0.19 5.68 -1.26 -4.89 116.55 111.75 9pcy n ASP 9 Ca 0.22 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 9pcy n ASP 9 Cb 0.81 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.54 2.61 3.70 6.12 0.00 0.62 -5.05 105.19 113.73 9pcy n GLY 10 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.24 -4.43 1.61 2.88 -1.26 -4.45 113.62 111.22 9pcy n SER 11 Ca 0.00 1.15 -0.43 0.00 -1.33 0.00 0.00 58.87 58.26 9pcy n SER 11 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 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 2.13 5.28 -4.11 2.46 4.77 -1.26 -2.57 117.00 123.70 9pcy n LEU 12 Ca 0.10 -3.96 -0.08 0.00 -0.03 0.00 0.00 56.01 52.03 9pcy n LEU 12 Cb 0.34 -1.73 -0.10 0.00 -2.33 0.00 0.00 43.42 39.59 9pcy n LEU 12 CO 0.63 0.32 -0.37 0.54 -1.33 0.00 0.00 177.39 177.19 9pcy s VAL 13 N 4.02 0.37 -0.23 4.08 0.11 -1.26 -4.49 120.40 123.00 9pcy s VAL 13 Ca 0.53 -1.77 -0.12 0.00 -2.93 0.00 0.00 61.98 57.68 9pcy s VAL 13 Cb 0.06 -1.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 9pcy s VAL 13 CO 0.05 -0.91 0.25 -0.36 -3.33 0.00 0.00 175.10 170.80 9pcy s PHE 14 N -3.61 3.32 -0.26 1.54 0.40 -1.26 0.07 117.98 118.18 9pcy s PHE 14 Ca 0.07 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 9pcy s PHE 14 Cb 0.06 -2.37 0.06 0.00 0.51 0.00 0.00 43.02 41.27 9pcy s PHE 14 CO -0.08 0.01 -0.10 0.08 0.70 0.00 0.00 175.22 175.84 9pcy s VAL 15 N 1.24 2.15 0.70 -0.44 1.01 -0.06 -1.13 120.40 123.87 9pcy s VAL 15 Ca 0.12 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 9pcy s VAL 15 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.96 9pcy s VAL 15 CO 0.06 -0.07 1.09 -2.16 0.00 0.00 0.00 175.10 174.02 9pcy s PRO 16 N 1.10 2.69 -0.09 2.72 0.04 -1.26 -0.47 135.00 139.73 9pcy s PRO 16 Ca -0.08 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 9pcy s PRO 16 Cb -0.20 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 9pcy s PRO 16 CO -0.05 -1.32 -0.05 0.66 0.04 0.00 0.00 177.00 176.28 9pcy h SER 17 N -0.43 0.00 -3.36 6.66 4.64 -1.47 -3.46 113.55 116.14 9pcy h SER 17 Ca -0.45 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.23 9pcy h SER 17 Cb 1.23 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 9pcy h SER 17 CO 0.54 0.44 -0.63 -1.61 -0.87 0.00 0.00 176.83 174.69 9pcy s GLU 18 N -1.61 3.74 0.27 4.77 2.02 -1.26 -0.39 118.70 126.24 9pcy s GLU 18 Ca -0.04 -0.47 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 9pcy s GLU 18 Cb 0.01 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.19 9pcy s GLU 18 CO 0.06 0.17 0.42 1.97 0.02 0.00 0.00 175.26 177.90 9pcy n PHE 19 N 3.80 -1.40 -3.95 1.61 -1.74 -0.55 -4.95 117.46 110.27 9pcy n PHE 19 Ca -0.17 -1.66 -0.11 0.00 -0.56 0.00 0.00 57.45 54.95 9pcy n PHE 19 Cb 0.52 0.48 -0.12 0.00 1.52 0.00 0.00 39.48 41.88 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 -2.60 0.21 -0.22 5.98 0.01 -1.26 -0.23 113.70 115.59 9pcy s SER 20 Ca 0.19 -0.30 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 9pcy s SER 20 Cb -0.01 0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.32 9pcy s SER 20 CO 0.14 -0.17 0.59 0.54 0.41 0.00 0.00 173.24 174.75 9pcy s VAL 21 N -0.86 -0.00 0.53 3.43 0.11 0.27 -4.85 120.40 119.03 9pcy s VAL 21 Ca -0.09 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.75 9pcy s VAL 21 Cb -0.06 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 9pcy s VAL 21 CO -0.01 0.00 1.10 -2.65 -3.33 0.00 0.00 175.10 170.22 9pcy n PRO 22 N 2.82 1.29 -1.72 1.54 -0.02 -1.26 -0.66 135.00 137.00 9pcy n PRO 22 Ca -0.14 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 9pcy n PRO 22 Cb 0.56 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.47 3.07 0.00 2.55 7.64 0.19 -2.60 113.62 123.99 9pcy n SER 23 Ca 0.11 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.20 9pcy n SER 23 Cb 0.44 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 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 0.75 2.23 3.78 0.23 0.00 0.12 -4.98 105.19 107.32 9pcy n GLY 24 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.47 3.55 -0.35 1.61 0.41 -1.07 -4.80 118.70 117.57 9pcy s GLU 25 Ca 0.00 1.54 -0.21 0.00 -0.41 0.00 0.00 54.97 55.89 9pcy s GLU 25 Cb 0.00 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 9pcy s GLU 25 CO 0.00 -0.67 0.66 0.15 -0.49 0.00 0.00 175.26 174.90 9pcy s LYS 26 N -3.21 3.71 0.07 1.61 3.01 -1.26 -3.83 119.74 119.84 9pcy s LYS 26 Ca 0.70 0.11 -0.23 0.00 -1.01 0.00 0.00 55.97 55.55 9pcy s LYS 26 Cb -0.22 -3.80 -0.06 0.00 -1.01 0.00 0.00 37.83 32.74 9pcy s LYS 26 CO 0.25 -0.74 0.69 0.42 0.51 0.00 0.00 175.35 176.48 9pcy s ILE 27 N 2.76 4.69 -0.28 2.17 1.01 0.81 -4.28 121.20 128.07 9pcy s ILE 27 Ca 0.25 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.40 9pcy s ILE 27 Cb -0.14 -4.03 0.07 0.00 0.01 0.00 0.00 42.46 38.37 9pcy s ILE 27 CO 0.15 0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.80 9pcy s VAL 28 N -0.58 2.11 -0.57 2.92 1.01 -0.02 -1.11 120.40 124.16 9pcy s VAL 28 Ca 0.34 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 9pcy s VAL 28 Cb -0.20 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 33.94 9pcy s VAL 28 CO 0.22 -0.20 0.69 -0.36 0.00 0.00 0.00 175.10 175.45 9pcy s PHE 29 N 1.09 3.00 -0.22 5.22 0.08 0.27 -0.21 117.98 127.21 9pcy s PHE 29 Ca -0.03 -0.82 -0.12 0.00 0.12 0.00 0.00 56.93 56.08 9pcy s PHE 29 Cb -0.20 -3.89 -0.05 0.00 -0.57 0.00 0.00 43.02 38.32 9pcy s PHE 29 CO -0.06 -1.23 0.25 0.21 -0.10 0.00 0.00 175.22 174.28 9pcy s LYS 30 N 2.73 4.13 -0.46 0.44 2.20 0.37 -0.59 119.74 128.56 9pcy s LYS 30 Ca 0.13 -0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.39 9pcy s LYS 30 Cb -0.22 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 9pcy s LYS 30 CO 0.08 0.06 2.18 -0.80 -0.36 0.00 0.00 175.35 176.51 9pcy s ASN 31 N 0.96 4.94 -0.11 1.43 -0.87 0.15 -0.28 114.94 121.16 9pcy s ASN 31 Ca 0.12 1.05 -0.07 0.00 -1.57 0.00 0.00 52.86 52.39 9pcy s ASN 31 Cb -0.14 -2.51 -0.07 0.00 -0.02 0.00 0.00 41.25 38.52 9pcy s ASN 31 CO 0.05 -2.50 0.20 -1.13 -2.57 0.00 0.00 177.10 171.15 9pcy h ASN 32 N 17.09 0.00 -5.72 -1.22 -0.00 -1.25 0.17 115.58 124.65 9pcy h ASN 32 Ca -0.28 -0.26 0.30 0.00 -0.00 0.00 0.00 56.30 56.06 9pcy h ASN 32 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.48 9pcy h ASN 32 CO 1.13 0.63 0.82 0.00 -0.00 0.00 0.00 177.43 180.00 9pcy s ALA 33 N -2.47 -2.23 -1.57 1.57 0.00 -1.20 -4.73 121.76 111.14 9pcy s ALA 33 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.93 9pcy s ALA 33 Cb -0.01 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.91 9pcy s ALA 33 CO 0.18 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.23 9pcy n GLY 34 N -0.81 1.49 3.77 0.00 0.00 -1.26 -4.12 105.19 104.27 9pcy n GLY 34 Ca 0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.47 2.51 0.78 1.61 -0.12 -1.26 -4.79 117.98 114.23 9pcy s PHE 35 Ca 0.00 0.94 -0.13 0.00 -0.05 0.00 0.00 56.93 57.69 9pcy s PHE 35 Cb 0.00 -3.31 0.07 0.00 -0.63 0.00 0.00 43.02 39.14 9pcy s PHE 35 CO 0.00 -2.33 1.16 -2.14 -0.05 0.00 0.00 175.22 171.86 9pcy s PRO 36 N -5.20 1.92 0.26 1.99 0.02 -1.26 -5.10 135.00 127.63 9pcy s PRO 36 Ca 0.63 1.56 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 9pcy s PRO 36 Cb -0.15 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 9pcy s PRO 36 CO 0.54 -1.96 0.42 -1.01 -0.33 0.00 0.00 177.00 174.66 9pcy s HIS 37 N -2.36 0.65 0.24 6.54 3.76 -0.38 -4.86 115.29 118.87 9pcy s HIS 37 Ca 0.69 -0.97 -0.20 0.00 -0.15 0.00 0.00 55.06 54.44 9pcy s HIS 37 Cb -0.24 0.00 0.07 0.00 1.11 0.00 0.00 32.58 33.52 9pcy s HIS 37 CO 0.50 -0.97 0.98 0.27 -0.85 0.00 0.00 174.74 174.67 9pcy n ASN 38 N -0.59 -1.88 -3.67 1.40 6.94 -1.26 0.50 115.26 116.69 9pcy n ASN 38 Ca -0.00 -2.08 -0.23 0.00 -0.02 0.00 0.00 54.58 52.24 9pcy n ASN 38 Cb 0.63 3.08 -0.17 0.00 -2.36 0.00 0.00 39.78 40.95 9pcy n ASN 38 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 9pcy s VAL 39 N -2.07 0.04 -0.08 3.53 1.01 -1.26 -4.19 120.40 117.38 9pcy s VAL 39 Ca 0.21 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.32 9pcy s VAL 39 Cb -0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 9pcy s VAL 39 CO 0.07 -0.00 -0.24 -0.69 0.00 0.00 0.00 175.10 174.24 9pcy s VAL 40 N 2.09 2.09 -0.06 2.92 1.01 0.42 -0.58 120.40 128.29 9pcy s VAL 40 Ca 0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 9pcy s VAL 40 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 9pcy s VAL 40 CO -0.06 0.56 0.64 -0.36 0.00 0.00 0.00 175.10 175.88 9pcy s PHE 41 N 0.15 3.58 -0.63 5.22 0.08 -1.26 -0.35 117.98 124.77 9pcy s PHE 41 Ca -0.13 1.17 -0.27 0.00 0.12 0.00 0.00 56.93 57.82 9pcy s PHE 41 Cb -0.16 -2.72 -0.00 0.00 -0.57 0.00 0.00 43.02 39.56 9pcy s PHE 41 CO 0.07 0.15 1.65 0.34 -0.10 0.00 0.00 175.22 177.33 9pcy s ASP 42 N 0.59 5.63 0.39 1.36 2.15 0.20 -4.87 116.67 122.12 9pcy s ASP 42 Ca 0.34 0.14 0.24 0.00 0.43 0.00 0.00 52.55 53.70 9pcy s ASP 42 Cb -0.17 -2.54 1.37 0.00 -0.30 0.00 0.00 42.92 41.27 9pcy s ASP 42 CO 0.16 -2.13 1.59 1.05 -0.17 0.00 0.00 175.17 175.67 9pcy h GLU 43 N 13.08 0.04 0.00 4.34 4.11 -1.94 0.19 114.58 134.40 9pcy h GLU 43 Ca -0.27 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.11 9pcy h GLU 43 Cb 1.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 9pcy h GLU 43 CO 1.23 0.03 -0.25 0.22 0.07 0.00 0.00 179.01 180.30 9pcy h ASP 44 N 0.04 0.00 -2.14 3.06 3.58 -1.97 -3.34 116.42 115.65 9pcy h ASP 44 Ca 0.84 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.75 9pcy h ASP 44 Cb 2.36 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 43.00 9pcy h ASP 44 CO -0.65 0.25 -0.89 -0.62 -2.88 0.00 0.00 179.24 174.45 9pcy n GLU 45 N -3.67 2.09 -3.65 0.28 1.02 0.68 -5.03 120.64 112.35 9pcy n GLU 45 Ca -0.01 -4.13 -0.12 0.00 -0.02 0.00 0.00 57.16 52.88 9pcy n GLU 45 Cb 0.37 -1.95 -0.05 0.00 -0.02 0.00 0.00 31.44 29.78 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 -3.24 0.06 -0.38 -3.67 -4.36 -1.22 -0.46 121.20 107.93 9pcy s ILE 46 Ca 0.44 -0.53 -0.28 0.00 -0.26 0.00 0.00 60.65 60.02 9pcy s ILE 46 Cb 0.29 -1.06 -0.07 0.00 1.25 0.00 0.00 42.46 42.87 9pcy s ILE 46 CO -0.10 -0.29 2.33 -2.65 0.24 0.00 0.00 174.94 174.47 9pcy n PRO 47 N 0.15 1.40 -0.25 0.37 -0.02 -1.26 -4.83 135.00 130.55 9pcy n PRO 47 Ca -0.17 0.24 0.16 0.00 -2.02 0.00 0.00 63.50 61.71 9pcy n PRO 47 Cb 0.62 -3.25 0.31 0.00 -0.02 0.00 0.00 33.50 31.15 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 13.70 0.54 -0.11 3.55 0.00 -1.26 -0.44 120.51 136.50 9pcy n ALA 48 Ca 0.35 0.80 0.15 0.00 0.00 0.00 0.00 53.44 54.73 9pcy n ALA 48 Cb 0.47 -0.67 0.53 0.00 0.00 0.00 0.00 19.45 19.79 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 0.55 -7.27 0.00 0.00 -1.99 -3.36 103.07 91.00 9pcy h GLY 49 Ca 0.53 -0.15 -0.59 0.00 0.00 0.00 0.00 47.33 47.13 9pcy h GLY 49 CO -0.66 0.07 1.11 0.14 0.00 0.00 0.00 176.54 177.19 9pcy s VAL 50 N -5.34 3.97 -0.34 4.60 1.01 0.42 -4.95 120.40 119.76 9pcy s VAL 50 Ca -0.07 -0.28 -0.37 0.00 0.00 0.00 0.00 61.98 61.25 9pcy s VAL 50 Cb 0.20 -4.92 -0.13 0.00 0.00 0.00 0.00 36.38 31.53 9pcy s VAL 50 CO 0.75 -1.79 2.08 -0.67 0.00 0.00 0.00 175.10 175.47 9pcy n ASP 51 N 8.70 2.05 -0.30 3.32 2.03 -1.26 -4.83 116.55 126.25 9pcy n ASP 51 Ca 0.14 0.61 0.14 0.00 0.52 0.00 0.00 54.79 56.19 9pcy n ASP 51 Cb 0.49 -1.19 0.29 0.00 -0.72 0.00 0.00 41.12 39.99 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 10.73 1.27 -0.56 -1.67 0.00 -1.91 0.11 119.26 127.24 9pcy h ALA 52 Ca -0.30 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.01 9pcy h ALA 52 Cb 1.33 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 9pcy h ALA 52 CO 1.01 -0.50 0.40 0.28 0.00 0.00 0.00 179.25 180.45 9pcy h VAL 53 N 0.17 0.74 0.05 0.00 2.07 -1.88 0.26 116.25 117.67 9pcy h VAL 53 Ca 0.56 -0.02 -0.24 0.00 0.82 0.00 0.00 66.70 67.82 9pcy h VAL 53 Cb 1.15 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 9pcy h VAL 53 CO -0.69 0.01 -1.05 0.11 0.02 0.00 0.00 177.57 175.97 9pcy h LYS 54 N 0.06 0.32 0.00 1.57 1.57 -1.14 -3.32 116.57 115.63 9pcy h LYS 54 Ca 0.27 -0.41 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 9pcy h LYS 54 Cb 0.99 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 9pcy h LYS 54 CO -0.02 1.13 -1.35 -0.84 -0.57 0.00 0.00 179.45 177.80 9pcy h ILE 55 N 0.15 0.58 -3.49 1.86 3.07 -1.35 -3.48 117.51 114.86 9pcy h ILE 55 Ca -0.09 -2.10 -0.53 0.00 1.55 0.00 0.00 64.86 63.69 9pcy h ILE 55 Cb 1.72 2.11 -0.03 0.00 -0.27 0.00 0.00 36.82 40.35 9pcy h ILE 55 CO 0.17 0.33 0.00 -0.44 -1.05 0.00 0.00 178.15 177.17 9pcy s SER 56 N -5.88 6.85 0.08 2.16 0.01 0.84 -4.83 113.70 112.92 9pcy s SER 56 Ca -0.02 1.19 -0.31 0.00 1.31 0.00 0.00 55.95 58.12 9pcy s SER 56 Cb 0.09 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 9pcy s SER 56 CO 0.81 -0.01 1.45 -0.04 0.41 0.00 0.00 173.24 175.86 9pcy s MET 57 N -2.30 4.28 -0.22 12.44 -1.94 0.25 -4.83 119.30 126.98 9pcy s MET 57 Ca 0.44 2.10 -0.37 0.00 -1.71 0.00 0.00 55.69 56.15 9pcy s MET 57 Cb -0.14 -3.40 -0.14 0.00 2.01 0.00 0.00 34.83 33.17 9pcy s MET 57 CO 0.20 -0.54 1.86 -2.30 -0.01 0.00 0.00 175.02 174.23 9pcy n PRO 58 N 4.64 1.52 -0.41 2.03 -0.02 -1.26 -4.70 135.00 136.79 9pcy n PRO 58 Ca 0.13 0.54 0.36 0.00 -2.02 0.00 0.00 63.50 62.51 9pcy n PRO 58 Cb 0.42 -2.35 0.62 0.00 -0.02 0.00 0.00 33.50 32.17 9pcy n PRO 58 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 9pcy n GLU 59 N 6.28 -0.04 -0.22 -0.52 -0.00 -1.26 0.12 120.64 124.99 9pcy n GLU 59 Ca 0.27 1.22 -0.02 0.00 -0.00 0.00 0.00 57.16 58.63 9pcy n GLU 59 Cb 0.20 -2.35 0.18 0.00 -0.00 0.00 0.00 31.44 29.47 9pcy n GLU 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 9pcy h GLU 60 N 0.00 1.02 -6.52 3.44 4.81 -2.03 -3.43 114.58 111.87 9pcy h GLU 60 Ca 0.83 -0.13 -0.52 0.00 -0.13 0.00 0.00 59.36 59.41 9pcy h GLU 60 Cb 2.56 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.72 9pcy h GLU 60 CO -0.51 0.77 -0.08 -1.21 -0.73 0.00 0.00 179.01 177.25 9pcy s GLU 61 N -5.63 3.77 0.01 1.92 0.41 0.12 -5.10 118.70 114.20 9pcy s GLU 61 Ca -0.11 0.27 -0.28 0.00 -0.41 0.00 0.00 54.97 54.44 9pcy s GLU 61 Cb 0.17 -2.60 0.08 0.00 -1.78 0.00 0.00 34.13 30.00 9pcy s GLU 61 CO 0.80 0.24 0.73 -0.48 -0.49 0.00 0.00 175.26 176.06 9pcy s LEU 62 N -3.13 -0.54 -0.82 1.80 0.05 -1.26 -4.69 118.68 110.08 9pcy s LEU 62 Ca 0.48 0.32 -0.24 0.00 0.05 0.00 0.00 54.13 54.74 9pcy s LEU 62 Cb -0.11 2.38 0.05 0.00 -2.05 0.00 0.00 46.19 46.46 9pcy s LEU 62 CO 0.24 -0.69 1.25 -0.76 -0.55 0.00 0.00 176.35 175.84 9pcy s LEU 63 N -1.90 3.69 -0.12 1.48 1.43 0.18 -4.89 118.68 118.55 9pcy s LEU 63 Ca -0.03 -1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 51.83 9pcy s LEU 63 Cb -0.01 -2.52 -0.21 0.00 0.03 0.00 0.00 46.19 43.49 9pcy s LEU 63 CO -0.02 -1.59 0.68 -1.13 0.23 0.00 0.00 176.35 174.52 9pcy h ASN 64 N 9.75 -0.01 -4.29 2.29 -1.24 -1.95 -1.00 115.58 119.13 9pcy h ASN 64 Ca -0.10 -0.77 -0.50 0.00 0.71 0.00 0.00 56.30 55.64 9pcy h ASN 64 Cb 1.04 0.00 0.06 0.00 0.73 0.00 0.00 38.32 40.15 9pcy h ASN 64 CO 1.29 0.85 0.39 0.00 -1.29 0.00 0.00 177.43 178.67 9pcy s ALA 65 N -2.47 2.94 0.99 1.57 0.00 -1.26 -4.31 121.76 119.22 9pcy s ALA 65 Ca -0.15 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 9pcy s ALA 65 Cb -0.02 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 20.15 9pcy s ALA 65 CO 0.57 -0.71 1.08 -1.25 0.00 0.00 0.00 175.76 175.45 9pcy s PRO 66 N -4.69 0.50 0.00 0.00 0.04 -1.26 -3.86 135.00 125.73 9pcy s PRO 66 Ca 0.58 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.55 9pcy s PRO 66 Cb -0.12 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.71 9pcy s PRO 66 CO 0.46 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.11 9pcy n GLY 67 N -0.32 1.45 1.15 0.56 0.00 0.59 -4.92 105.19 103.69 9pcy n GLY 67 Ca 0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.92 1.61 -0.58 -1.25 -3.43 120.64 113.07 9pcy n GLU 68 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 9pcy n GLU 68 Cb 0.00 -0.47 -0.12 0.00 -0.57 0.00 0.00 31.44 30.28 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 1.08 4.27 -0.33 2.62 -4.23 -1.26 -0.67 115.64 117.12 9pcy s THR 69 Ca 0.33 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 9pcy s THR 69 Cb -0.47 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 9pcy s THR 69 CO 0.25 0.39 0.21 -0.47 -0.54 0.00 0.00 174.62 174.45 9pcy s TYR 70 N 1.17 3.21 -0.14 3.99 5.04 0.25 -4.92 117.35 125.94 9pcy s TYR 70 Ca 0.04 -0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 54.22 9pcy s TYR 70 Cb -0.14 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.70 9pcy s TYR 70 CO 0.03 -0.40 0.12 0.08 -1.34 0.00 0.00 175.55 174.03 9pcy s VAL 71 N 1.68 5.34 0.00 3.14 1.01 -1.26 -0.56 120.40 129.74 9pcy s VAL 71 Ca 0.05 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 9pcy s VAL 71 Cb -0.17 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.87 9pcy s VAL 71 CO 0.09 0.56 0.23 0.54 0.00 0.00 0.00 175.10 176.52 9pcy s VAL 72 N -0.58 0.08 -0.09 2.92 0.11 -0.26 -4.99 120.40 117.58 9pcy s VAL 72 Ca 0.12 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 9pcy s VAL 72 Cb -0.12 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 9pcy s VAL 72 CO 0.02 -0.35 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.33 9pcy s THR 73 N -1.59 1.95 -0.20 5.04 2.01 -1.26 -0.13 115.64 121.45 9pcy s THR 73 Ca -0.12 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 9pcy s THR 73 Cb -0.05 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 9pcy s THR 73 CO 0.02 0.54 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.65 9pcy s LEU 74 N 0.35 2.79 -0.10 4.42 1.43 -1.25 -5.00 118.68 121.32 9pcy s LEU 74 Ca -0.18 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 9pcy s LEU 74 Cb -0.17 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 9pcy s LEU 74 CO 0.08 0.01 -0.15 -0.67 0.23 0.00 0.00 176.35 175.85 9pcy n ASP 75 N 4.61 1.25 -4.75 2.29 2.03 -1.26 -0.71 116.55 120.01 9pcy n ASP 75 Ca -0.19 0.45 -0.41 0.00 0.52 0.00 0.00 54.79 55.16 9pcy n ASP 75 Cb 0.51 -0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 9pcy s THR 76 N -1.94 2.64 0.67 5.18 2.01 -1.26 -4.45 115.64 118.49 9pcy s THR 76 Ca -0.12 0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 9pcy s THR 76 Cb 0.02 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.18 9pcy s THR 76 CO 0.18 0.09 1.09 -0.54 -0.69 0.00 0.00 174.62 174.74 9pcy s LYS 77 N -0.40 2.83 0.00 4.92 1.02 -1.26 -4.81 119.74 122.04 9pcy s LYS 77 Ca 0.59 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.83 9pcy s LYS 77 Cb -0.42 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 9pcy s LYS 77 CO 0.44 -1.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 9pcy n GLY 78 N -0.96 1.95 3.52 -3.33 0.00 -0.22 -4.87 105.19 101.28 9pcy n GLY 78 Ca 0.09 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.42 5.00 -0.21 2.61 2.01 -1.26 -0.12 115.64 122.25 9pcy s THR 79 Ca 0.00 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 9pcy s THR 79 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 9pcy s THR 79 CO 0.00 -0.37 0.06 -0.31 -0.69 0.00 0.00 174.62 173.32 9pcy s TYR 80 N 2.39 3.16 -0.05 4.92 1.51 0.25 -4.17 117.35 125.35 9pcy s TYR 80 Ca 0.17 -0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.01 9pcy s TYR 80 Cb -0.16 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 9pcy s TYR 80 CO 0.15 -0.08 0.22 -1.12 -1.11 0.00 0.00 175.55 173.60 9pcy s SER 81 N 0.94 6.47 0.11 2.29 0.01 0.39 -0.39 113.70 123.53 9pcy s SER 81 Ca 0.04 0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 9pcy s SER 81 Cb -0.14 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 9pcy s SER 81 CO 0.03 0.33 0.02 0.72 0.41 0.00 0.00 173.24 174.76 9pcy s PHE 82 N -1.15 0.79 0.12 2.43 -0.12 0.05 -0.63 117.98 119.47 9pcy s PHE 82 Ca 0.21 -1.16 -0.11 0.00 -0.05 0.00 0.00 56.93 55.82 9pcy s PHE 82 Cb -0.13 -0.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.80 9pcy s PHE 82 CO 0.11 -0.45 0.28 1.52 -0.05 0.00 0.00 175.22 176.62 9pcy s TYR 83 N -3.97 0.13 -0.40 3.49 1.13 0.53 -1.10 117.35 117.15 9pcy s TYR 83 Ca 0.19 -0.51 -0.10 0.00 -1.41 0.00 0.00 57.07 55.23 9pcy s TYR 83 Cb 0.07 0.03 0.05 0.00 -1.10 0.00 0.00 41.96 41.02 9pcy s TYR 83 CO -0.02 -0.64 0.24 0.00 -2.51 0.00 0.00 175.55 172.62 9pcy h SER 85 N 8.44 -1.77 0.00 0.00 0.02 -1.89 0.11 113.55 118.47 9pcy h SER 85 Ca -0.24 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 9pcy h SER 85 Cb 1.09 0.77 0.00 0.00 0.14 0.00 0.00 62.40 64.40 9pcy h SER 85 CO 0.72 -0.23 0.00 -0.81 -1.14 0.00 0.00 176.83 175.37 9pcy n PRO 86 N -4.92 0.00 -0.37 3.45 -0.04 -1.26 -1.42 135.00 130.45 9pcy n PRO 86 Ca 0.00 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 9pcy n PRO 86 Cb 0.24 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.24 0.00 -0.21 0.54 8.25 0.17 -4.84 115.22 117.88 9pcy n HIS 87 Ca 0.00 -0.28 -0.07 0.00 -0.26 0.00 0.00 57.72 57.11 9pcy n HIS 87 Cb 0.00 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 0.90 -0.85 -0.41 3.07 0.22 0.57 115.11 118.61 9pcy h GLN 88 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 9pcy h GLN 88 Cb 1.27 -0.14 -0.04 0.00 0.08 0.00 0.00 27.48 28.65 9pcy h GLN 88 CO 0.00 0.78 0.49 0.78 0.09 0.00 0.00 178.83 180.97 9pcy h GLY 89 N 0.84 1.24 1.62 0.06 0.00 -1.88 -2.06 103.07 102.89 9pcy h GLY 89 Ca 0.20 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 9pcy h GLY 89 CO -0.01 0.51 -0.19 0.00 0.00 0.00 0.00 176.54 176.85 9pcy h ALA 90 N 1.27 1.21 0.00 3.60 0.00 -1.78 -3.47 119.26 120.08 9pcy h ALA 90 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 9pcy h ALA 90 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 9pcy h ALA 90 CO -0.05 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.12 9pcy n GLY 91 N -0.53 1.88 3.56 0.00 0.00 0.01 -5.05 105.19 105.06 9pcy n GLY 91 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.51 3.55 0.31 1.61 -2.45 -0.16 -4.92 119.30 116.72 9pcy s MET 92 Ca 0.00 -1.04 0.03 0.00 -1.25 0.00 0.00 55.69 53.43 9pcy s MET 92 Cb 0.00 -5.23 -0.05 0.00 1.25 0.00 0.00 34.83 30.80 9pcy s MET 92 CO 0.00 -2.20 0.09 0.14 1.05 0.00 0.00 175.02 174.10 9pcy s VAL 93 N 5.02 0.82 0.12 10.11 -7.23 -1.26 -1.38 120.40 126.59 9pcy s VAL 93 Ca 0.45 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 9pcy s VAL 93 Cb -0.01 -2.65 0.08 0.00 0.56 0.00 0.00 36.38 34.36 9pcy s VAL 93 CO -0.07 0.00 1.11 0.61 -0.31 0.00 0.00 175.10 176.44 9pcy n GLY 94 N -0.64 0.47 3.20 2.32 0.00 -0.26 -4.41 105.19 105.87 9pcy n GLY 94 Ca -0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 0.74 -0.03 1.61 1.02 0.47 -0.77 119.74 120.74 9pcy s LYS 95 Ca 0.25 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.64 9pcy s LYS 95 Cb -0.02 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.63 9pcy s LYS 95 CO 0.04 -0.22 0.01 0.54 -0.92 0.00 0.00 175.35 174.79 9pcy s VAL 96 N -2.63 0.17 -0.55 3.17 0.11 0.48 -1.48 120.40 119.67 9pcy s VAL 96 Ca -0.05 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 9pcy s VAL 96 Cb -0.01 -0.29 0.06 0.00 -1.53 0.00 0.00 36.38 34.62 9pcy s VAL 96 CO -0.04 0.16 0.74 -0.89 -3.33 0.00 0.00 175.10 171.74 9pcy s THR 97 N 1.22 4.70 -0.42 5.04 2.01 0.68 -0.59 115.64 128.28 9pcy s THR 97 Ca -0.07 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 9pcy s THR 97 Cb -0.13 -4.43 0.02 0.00 0.01 0.00 0.00 72.50 67.97 9pcy s THR 97 CO -0.02 -1.00 1.06 -0.69 -0.69 0.00 0.00 174.62 173.28 9pcy s VAL 98 N 3.08 4.38 -2.78 3.82 1.01 0.83 -0.56 120.40 130.17 9pcy s VAL 98 Ca 0.18 1.28 0.26 0.00 0.00 0.00 0.00 61.98 63.70 9pcy s VAL 98 Cb -0.18 -4.49 0.35 0.00 0.00 0.00 0.00 36.38 32.05 9pcy s VAL 98 CO 0.12 -0.78 1.47 0.59 0.00 0.00 0.00 175.10 176.50