#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 3.90 -0.31 3.23 2.02 -1.26 -0.62 118.70 125.66 9pcy s GLU 2 Ca 0.00 0.37 -0.05 0.00 0.02 0.00 0.00 54.97 55.31 9pcy s GLU 2 Cb 0.00 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.53 9pcy s GLU 2 CO 0.00 -0.62 0.05 0.08 0.02 0.00 0.00 175.26 174.79 9pcy s VAL 3 N 2.73 3.57 -0.14 2.63 1.01 0.30 -4.54 120.40 125.96 9pcy s VAL 3 Ca 0.27 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 9pcy s VAL 3 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 9pcy s VAL 3 CO 0.12 -0.03 1.00 -0.76 0.00 0.00 0.00 175.10 175.44 9pcy s LEU 4 N 1.40 4.20 -0.44 3.92 1.43 0.44 -0.74 118.68 128.89 9pcy s LEU 4 Ca -0.01 1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 54.32 9pcy s LEU 4 Cb -0.18 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.53 9pcy s LEU 4 CO 0.01 -0.51 0.84 -0.76 0.23 0.00 0.00 176.35 176.16 9pcy s LEU 5 N 2.36 4.15 0.00 1.79 1.43 0.49 -0.64 118.68 128.25 9pcy s LEU 5 Ca 0.46 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 9pcy s LEU 5 Cb -0.17 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.99 9pcy s LEU 5 CO 0.14 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.40 9pcy n GLY 6 N 4.89 -2.28 3.85 -3.19 0.00 0.60 -1.68 105.19 107.38 9pcy n GLY 6 Ca 0.04 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.49 5.57 0.37 1.61 1.04 -0.75 -3.30 113.70 117.76 9pcy s SER 7 Ca 0.00 1.42 0.19 0.00 0.48 0.00 0.00 55.95 58.04 9pcy s SER 7 Cb 0.00 -2.33 1.19 0.00 0.10 0.00 0.00 66.02 64.98 9pcy s SER 7 CO 0.00 -1.29 1.66 1.23 0.98 0.00 0.00 173.24 175.82 9pcy h GLY 8 N -0.62 1.81 0.59 7.32 0.00 -1.96 0.24 103.07 110.47 9pcy h GLY 8 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.68 9pcy h GLY 8 CO 0.60 -0.45 0.00 2.09 0.00 0.00 0.00 176.54 178.78 9pcy n ASP 9 N -4.94 0.00 0.00 0.19 5.75 -1.26 -4.86 116.55 111.43 9pcy n ASP 9 Ca 0.33 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 9pcy n ASP 9 Cb 1.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 9pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 9pcy n GLY 10 N 0.50 1.55 3.75 6.12 0.00 0.85 -5.02 105.19 112.94 9pcy n GLY 10 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.20 6.43 -1.22 1.61 0.15 -1.24 -4.21 113.70 112.02 9pcy s SER 11 Ca 0.00 2.90 -0.14 0.00 0.70 0.00 0.00 55.95 59.41 9pcy s SER 11 Cb 0.00 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 9pcy s SER 11 CO 0.00 -0.86 2.29 0.18 1.20 0.00 0.00 173.24 176.05 9pcy n LEU 12 N 1.97 6.22 -4.19 3.45 4.77 -1.26 -1.80 117.00 126.16 9pcy n LEU 12 Ca 0.07 -3.64 -0.17 0.00 -0.03 0.00 0.00 56.01 52.24 9pcy n LEU 12 Cb 0.38 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 9pcy n LEU 12 CO 0.63 0.85 -0.44 0.68 -1.33 0.00 0.00 177.39 177.78 9pcy s VAL 13 N 3.47 1.12 0.04 4.08 -7.23 -1.26 -4.00 120.40 116.63 9pcy s VAL 13 Ca 0.53 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 9pcy s VAL 13 Cb 0.14 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 9pcy s VAL 13 CO -0.02 -0.36 0.57 -0.36 -0.31 0.00 0.00 175.10 174.62 9pcy s PHE 14 N -1.78 3.76 -0.27 2.82 0.40 -1.26 -0.29 117.98 121.35 9pcy s PHE 14 Ca 0.03 1.23 0.01 0.00 -0.60 0.00 0.00 56.93 57.60 9pcy s PHE 14 Cb -0.07 -2.53 0.08 0.00 0.51 0.00 0.00 43.02 41.01 9pcy s PHE 14 CO 0.02 0.50 0.00 0.08 0.70 0.00 0.00 175.22 176.52 9pcy s VAL 15 N -0.76 1.57 0.76 -0.44 1.01 0.19 -1.60 120.40 121.13 9pcy s VAL 15 Ca 0.29 -1.52 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 9pcy s VAL 15 Cb -0.19 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.27 9pcy s VAL 15 CO 0.18 -0.33 1.11 -2.16 0.00 0.00 0.00 175.10 173.89 9pcy s PRO 16 N 1.33 2.23 -0.08 2.72 0.04 -1.26 -0.42 135.00 139.56 9pcy s PRO 16 Ca 0.01 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 9pcy s PRO 16 Cb -0.19 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 9pcy s PRO 16 CO -0.11 -1.68 -0.05 0.66 0.04 0.00 0.00 177.00 175.86 9pcy h SER 17 N -0.89 0.00 -3.93 6.66 4.64 -1.66 -3.47 113.55 114.90 9pcy h SER 17 Ca -0.44 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.19 9pcy h SER 17 Cb 1.24 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.04 9pcy h SER 17 CO 0.51 0.39 -0.84 -1.61 -0.87 0.00 0.00 176.83 174.41 9pcy s GLU 18 N -1.56 2.66 0.34 4.77 2.02 -1.26 -2.39 118.70 123.27 9pcy s GLU 18 Ca -0.04 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 53.96 9pcy s GLU 18 Cb 0.01 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 31.99 9pcy s GLU 18 CO 0.07 0.41 0.72 -0.59 0.02 0.00 0.00 175.26 175.89 9pcy s PHE 19 N -0.22 0.10 0.06 1.61 -0.71 -0.47 -4.95 117.98 113.39 9pcy s PHE 19 Ca -0.01 -0.66 0.06 0.00 -1.04 0.00 0.00 56.93 55.28 9pcy s PHE 19 Cb -0.13 0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 9pcy s PHE 19 CO 0.03 -1.40 -0.16 -1.54 -1.34 0.00 0.00 175.22 170.81 9pcy s SER 20 N -3.03 1.96 -0.13 1.98 1.04 -1.26 -0.73 113.70 113.54 9pcy s SER 20 Ca 0.16 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 9pcy s SER 20 Cb -0.05 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.99 9pcy s SER 20 CO 0.10 0.04 0.36 0.54 0.98 0.00 0.00 173.24 175.26 9pcy s VAL 21 N -0.98 0.00 0.29 5.02 0.11 0.14 -4.90 120.40 120.09 9pcy s VAL 21 Ca 0.03 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 9pcy s VAL 21 Cb -0.09 -0.51 -0.13 0.00 -1.53 0.00 0.00 36.38 34.12 9pcy s VAL 21 CO 0.02 -0.01 1.19 -2.65 -3.33 0.00 0.00 175.10 170.32 9pcy n PRO 22 N 2.81 1.75 -1.71 1.54 -0.02 -1.26 -0.38 135.00 137.74 9pcy n PRO 22 Ca -0.13 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 9pcy n PRO 22 Cb 0.57 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.24 3.57 0.00 2.55 7.64 0.46 -2.35 113.62 126.73 9pcy n SER 23 Ca 0.08 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.06 9pcy n SER 23 Cb 0.33 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 9pcy n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 9pcy n GLY 24 N 3.15 2.78 3.76 0.23 0.00 0.25 -4.95 105.19 110.42 9pcy n GLY 24 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.92 2.51 0.07 1.61 0.41 -0.99 -4.62 118.70 116.77 9pcy s GLU 25 Ca 0.00 1.37 -0.15 0.00 -0.41 0.00 0.00 54.97 55.78 9pcy s GLU 25 Cb 0.00 -1.92 -0.06 0.00 -1.78 0.00 0.00 34.13 30.37 9pcy s GLU 25 CO 0.00 -1.47 0.49 0.21 -0.49 0.00 0.00 175.26 174.00 9pcy s LYS 26 N -4.32 3.99 -0.06 1.61 2.20 -1.26 -2.66 119.74 119.24 9pcy s LYS 26 Ca 0.66 0.49 0.06 0.00 -0.36 0.00 0.00 55.97 56.82 9pcy s LYS 26 Cb -0.20 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 9pcy s LYS 26 CO 0.46 0.60 -0.24 0.42 -0.36 0.00 0.00 175.35 176.24 9pcy s ILE 27 N -1.24 1.96 -0.32 5.43 1.01 0.31 -1.06 121.20 127.30 9pcy s ILE 27 Ca 0.30 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.97 9pcy s ILE 27 Cb -0.17 -1.67 0.09 0.00 0.01 0.00 0.00 42.46 40.73 9pcy s ILE 27 CO 0.17 0.55 0.05 -0.69 0.00 0.00 0.00 174.94 175.01 9pcy s VAL 28 N -0.05 1.78 0.06 2.92 1.01 0.21 -1.14 120.40 125.18 9pcy s VAL 28 Ca -0.06 -1.92 -0.23 0.00 0.00 0.00 0.00 61.98 59.77 9pcy s VAL 28 Cb -0.14 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 9pcy s VAL 28 CO 0.04 -0.54 0.70 -0.36 0.00 0.00 0.00 175.10 174.94 9pcy s PHE 29 N 1.17 3.76 -0.03 5.22 0.40 0.48 -0.53 117.98 128.45 9pcy s PHE 29 Ca 0.08 1.40 0.01 0.00 -0.60 0.00 0.00 56.93 57.83 9pcy s PHE 29 Cb -0.18 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.64 9pcy s PHE 29 CO -0.13 0.37 -0.04 0.21 0.70 0.00 0.00 175.22 176.33 9pcy s LYS 30 N -0.39 0.64 -0.53 0.44 2.36 0.08 -0.55 119.74 121.79 9pcy s LYS 30 Ca 0.35 -0.10 -0.27 0.00 -2.55 0.00 0.00 55.97 53.40 9pcy s LYS 30 Cb -0.20 -0.67 -0.04 0.00 -1.05 0.00 0.00 37.83 35.87 9pcy s LYS 30 CO 0.21 -0.03 2.03 -0.80 1.55 0.00 0.00 175.35 178.31 9pcy s ASN 31 N 0.65 5.09 -0.12 1.43 -0.87 0.29 -0.38 114.94 121.03 9pcy s ASN 31 Ca -0.08 0.71 -0.09 0.00 -1.57 0.00 0.00 52.86 51.83 9pcy s ASN 31 Cb -0.11 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.57 9pcy s ASN 31 CO -0.00 -2.44 -0.18 -3.20 -2.57 0.00 0.00 177.10 168.71 9pcy n ASN 32 N 13.39 1.50 -2.92 -1.22 5.15 -0.67 -0.51 115.26 129.98 9pcy n ASN 32 Ca 0.26 0.50 -0.13 0.00 -0.60 0.00 0.00 54.58 54.60 9pcy n ASN 32 Cb 0.52 -0.78 -0.02 0.00 -0.53 0.00 0.00 39.78 38.97 9pcy n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy n ALA 33 N -3.54 -0.59 -1.17 5.20 0.00 -0.75 -4.80 120.51 114.85 9pcy n ALA 33 Ca -0.07 -1.53 -0.10 0.00 0.00 0.00 0.00 53.44 51.75 9pcy n ALA 33 Cb 0.26 1.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.90 9pcy n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 34 N -0.56 0.91 3.77 0.00 0.00 -1.26 -3.77 105.19 104.28 9pcy n GLY 34 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.70 2.56 0.81 1.61 -0.12 -1.26 -4.80 117.98 115.08 9pcy s PHE 35 Ca 0.00 1.01 -0.12 0.00 -0.05 0.00 0.00 56.93 57.77 9pcy s PHE 35 Cb 0.00 -3.26 0.09 0.00 -0.63 0.00 0.00 43.02 39.22 9pcy s PHE 35 CO 0.00 -2.22 1.15 -2.14 -0.05 0.00 0.00 175.22 171.96 9pcy s PRO 36 N -5.16 1.71 0.24 1.99 0.02 -1.26 -5.10 135.00 127.44 9pcy s PRO 36 Ca 0.63 1.53 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 9pcy s PRO 36 Cb -0.15 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.56 9pcy s PRO 36 CO 0.54 -2.11 0.48 -1.01 -0.33 0.00 0.00 177.00 174.58 9pcy s HIS 37 N -2.47 0.27 0.33 6.54 3.76 -0.69 -4.93 115.29 118.10 9pcy s HIS 37 Ca 0.68 -0.64 -0.17 0.00 -0.15 0.00 0.00 55.06 54.78 9pcy s HIS 37 Cb -0.24 0.23 0.06 0.00 1.11 0.00 0.00 32.58 33.74 9pcy s HIS 37 CO 0.53 -0.98 0.85 0.54 -0.85 0.00 0.00 174.74 174.83 9pcy s ASN 38 N -2.99 -0.00 -0.06 1.40 2.20 -1.26 0.03 114.94 114.26 9pcy s ASN 38 Ca 0.20 -1.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.10 9pcy s ASN 38 Cb -0.01 0.76 0.03 0.00 -2.00 0.00 0.00 41.25 40.03 9pcy s ASN 38 CO 0.07 -1.51 -0.01 -0.69 -2.94 0.00 0.00 177.10 172.02 9pcy s VAL 39 N -2.30 0.40 -0.02 3.54 1.01 -1.26 -4.14 120.40 117.62 9pcy s VAL 39 Ca 0.17 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.27 9pcy s VAL 39 Cb -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 9pcy s VAL 39 CO 0.10 0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 9pcy s VAL 40 N 1.61 1.74 -0.14 2.92 1.01 0.43 -0.72 120.40 127.24 9pcy s VAL 40 Ca -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 9pcy s VAL 40 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 9pcy s VAL 40 CO -0.04 0.49 0.06 -0.36 0.00 0.00 0.00 175.10 175.25 9pcy s PHE 41 N -0.45 3.30 -0.01 5.22 0.40 -1.26 -0.42 117.98 124.76 9pcy s PHE 41 Ca 0.07 0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.30 9pcy s PHE 41 Cb -0.09 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 9pcy s PHE 41 CO -0.00 0.38 1.64 0.34 0.70 0.00 0.00 175.22 178.28 9pcy s ASP 42 N -0.34 6.66 -0.02 1.36 -1.08 -0.08 -4.88 116.67 118.29 9pcy s ASP 42 Ca 0.09 2.31 -0.04 0.00 -0.52 0.00 0.00 52.55 54.39 9pcy s ASP 42 Cb -0.12 -2.55 -0.19 0.00 -1.46 0.00 0.00 42.92 38.60 9pcy s ASP 42 CO 0.02 -0.90 2.75 -1.84 0.52 0.00 0.00 175.17 175.72 9pcy n GLU 43 N 6.50 1.47 0.12 4.34 0.28 -1.26 -3.59 120.64 128.50 9pcy n GLU 43 Ca 0.16 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.42 9pcy n GLU 43 Cb 0.42 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.42 9pcy n GLU 43 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 9pcy n ASP 44 N 2.67 -2.14 -3.52 -1.84 2.03 -1.26 -4.98 116.55 107.51 9pcy n ASP 44 Ca 0.32 0.48 -0.40 0.00 0.52 0.00 0.00 54.79 55.70 9pcy n ASP 44 Cb 0.65 2.21 -0.01 0.00 -0.72 0.00 0.00 41.12 43.25 9pcy n ASP 44 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 9pcy n GLU 45 N -2.96 3.64 -3.88 -0.67 0.28 -1.24 -4.74 120.64 111.08 9pcy n GLU 45 Ca 0.00 -2.69 -0.10 0.00 -0.16 0.00 0.00 57.16 54.20 9pcy n GLU 45 Cb 0.00 -2.91 -0.09 0.00 1.43 0.00 0.00 31.44 29.87 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 9pcy s ILE 46 N 1.61 0.11 -0.14 3.84 -4.36 -1.24 -1.01 121.20 120.01 9pcy s ILE 46 Ca 0.57 -0.91 -0.31 0.00 -0.26 0.00 0.00 60.65 59.75 9pcy s ILE 46 Cb 0.16 -0.79 -0.08 0.00 1.25 0.00 0.00 42.46 43.00 9pcy s ILE 46 CO -0.07 -0.50 2.09 -0.81 0.24 0.00 0.00 174.94 175.89 9pcy n PRO 47 N 0.90 2.16 -1.46 0.37 -0.04 -1.26 -4.83 135.00 130.84 9pcy n PRO 47 Ca -0.20 0.70 -0.54 0.00 -0.04 0.00 0.00 63.50 63.42 9pcy n PRO 47 Cb 0.58 -2.97 -0.08 0.00 -0.04 0.00 0.00 33.50 30.99 9pcy n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 9pcy n ALA 48 N 9.34 0.65 0.00 0.55 0.00 -1.26 -1.40 120.51 128.39 9pcy n ALA 48 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.80 9pcy n ALA 48 Cb 0.38 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 6.27 2.24 3.61 0.00 0.00 -1.26 -5.09 105.19 110.96 9pcy n GLY 49 Ca 0.41 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.26 4.10 -0.28 1.61 1.01 -0.49 -4.95 120.40 121.14 9pcy s VAL 50 Ca 0.00 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.86 9pcy s VAL 50 Cb 0.00 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 9pcy s VAL 50 CO 0.00 -0.78 2.00 -0.62 0.00 0.00 0.00 175.10 175.71 9pcy s ASP 51 N 3.02 5.67 0.35 3.32 2.15 -1.26 -4.86 116.67 125.06 9pcy s ASP 51 Ca 0.54 1.58 0.14 0.00 0.43 0.00 0.00 52.55 55.24 9pcy s ASP 51 Cb -0.12 -2.52 1.02 0.00 -0.30 0.00 0.00 42.92 41.00 9pcy s ASP 51 CO 0.29 -1.84 1.72 0.00 -0.17 0.00 0.00 175.17 175.17 9pcy h ALA 52 N 13.97 2.00 0.00 3.66 0.00 -1.92 0.86 119.26 137.83 9pcy h ALA 52 Ca -0.37 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 9pcy h ALA 52 Cb 1.20 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 9pcy h ALA 52 CO 1.00 -0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.01 9pcy h VAL 53 N 0.45 0.91 -0.00 0.00 2.07 -1.89 0.18 116.25 117.97 9pcy h VAL 53 Ca 0.66 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.84 9pcy h VAL 53 Cb 1.47 1.06 0.02 0.00 -1.52 0.00 0.00 31.29 32.31 9pcy h VAL 53 CO -0.45 0.03 -0.94 0.11 0.02 0.00 0.00 177.57 176.34 9pcy h LYS 54 N 0.00 0.64 0.22 1.57 1.79 -1.21 -3.34 116.57 116.24 9pcy h LYS 54 Ca -0.00 -0.69 -0.33 0.00 -2.18 0.00 0.00 60.65 57.46 9pcy h LYS 54 Cb 0.05 0.19 0.03 0.00 -1.58 0.00 0.00 32.23 30.92 9pcy h LYS 54 CO 0.00 1.28 -1.46 -0.84 -1.08 0.00 0.00 179.45 177.35 9pcy h ILE 55 N 0.28 1.29 -3.56 1.86 3.07 -1.50 -3.46 117.51 115.49 9pcy h ILE 55 Ca -0.12 -2.76 -0.52 0.00 1.55 0.00 0.00 64.86 63.01 9pcy h ILE 55 Cb 1.60 2.99 -0.00 0.00 -0.27 0.00 0.00 36.82 41.14 9pcy h ILE 55 CO 0.18 0.83 0.44 -0.44 -1.05 0.00 0.00 178.15 178.12 9pcy s SER 56 N -7.45 7.34 0.27 2.16 0.01 0.59 -4.87 113.70 111.75 9pcy s SER 56 Ca -0.09 2.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.88 9pcy s SER 56 Cb 0.05 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 9pcy s SER 56 CO 0.92 -0.17 1.13 -0.04 0.41 0.00 0.00 173.24 175.50 9pcy s MET 57 N -0.26 4.59 0.09 12.44 -1.94 0.10 -4.82 119.30 129.50 9pcy s MET 57 Ca 0.49 1.85 -0.31 0.00 -1.71 0.00 0.00 55.69 56.01 9pcy s MET 57 Cb -0.28 -3.19 -0.09 0.00 2.01 0.00 0.00 34.83 33.29 9pcy s MET 57 CO 0.33 0.13 1.62 -1.25 -0.01 0.00 0.00 175.02 175.84 9pcy s PRO 58 N -1.30 4.21 0.45 2.03 0.04 -1.26 -4.67 135.00 134.50 9pcy s PRO 58 Ca 0.46 2.32 0.29 0.00 0.04 0.00 0.00 61.00 64.11 9pcy s PRO 58 Cb -0.33 -3.48 1.37 0.00 0.04 0.00 0.00 34.50 32.10 9pcy s PRO 58 CO 0.42 -0.69 1.69 1.05 0.04 0.00 0.00 177.00 179.50 9pcy h GLU 59 N 7.90 0.15 -0.82 4.56 4.11 -1.95 0.17 114.58 128.70 9pcy h GLU 59 Ca -0.42 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.09 9pcy h GLU 59 Cb 1.20 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 9pcy h GLU 59 CO 0.92 0.10 0.54 1.49 0.07 0.00 0.00 179.01 182.13 9pcy h GLU 60 N 0.16 0.76 -6.27 1.06 4.22 -2.04 -3.42 114.58 109.06 9pcy h GLU 60 Ca 0.73 -0.05 -0.57 0.00 0.08 0.00 0.00 59.36 59.56 9pcy h GLU 60 Cb 2.31 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.35 9pcy h GLU 60 CO -0.30 0.51 -0.20 -1.21 -2.18 0.00 0.00 179.01 175.63 9pcy s GLU 61 N -5.72 3.76 -0.03 1.92 2.02 0.61 -5.10 118.70 116.16 9pcy s GLU 61 Ca -0.10 0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 9pcy s GLU 61 Cb 0.20 -2.82 0.07 0.00 0.10 0.00 0.00 34.13 31.68 9pcy s GLU 61 CO 0.78 0.44 0.68 -0.48 0.02 0.00 0.00 175.26 176.70 9pcy s LEU 62 N -2.45 -0.64 -0.58 1.80 0.05 -1.26 -4.76 118.68 110.85 9pcy s LEU 62 Ca 0.41 0.62 -0.28 0.00 0.05 0.00 0.00 54.13 54.93 9pcy s LEU 62 Cb -0.13 2.53 0.03 0.00 -2.05 0.00 0.00 46.19 46.58 9pcy s LEU 62 CO 0.21 -0.65 1.17 -0.76 -0.55 0.00 0.00 176.35 175.77 9pcy s LEU 63 N -1.39 3.52 -0.09 1.48 1.43 0.10 -4.88 118.68 118.85 9pcy s LEU 63 Ca -0.09 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 9pcy s LEU 63 Cb -0.00 -3.13 -0.26 0.00 0.03 0.00 0.00 46.19 42.82 9pcy s LEU 63 CO 0.07 -1.45 0.49 -0.55 0.23 0.00 0.00 176.35 175.13 9pcy h ASN 64 N 9.52 0.38 -3.30 2.29 -1.07 -1.96 -1.84 115.58 119.60 9pcy h ASN 64 Ca -0.25 -0.78 -0.51 0.00 0.07 0.00 0.00 56.30 54.83 9pcy h ASN 64 Cb 1.06 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.18 9pcy h ASN 64 CO 1.18 1.69 -0.06 0.00 0.07 0.00 0.00 177.43 180.31 9pcy s ALA 65 N -2.57 3.55 0.95 4.14 0.00 -1.26 -4.48 121.76 122.09 9pcy s ALA 65 Ca -0.18 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 9pcy s ALA 65 Cb 0.07 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.95 9pcy s ALA 65 CO 0.80 0.09 1.09 -1.25 0.00 0.00 0.00 175.76 176.49 9pcy s PRO 66 N -3.83 0.80 0.00 0.00 0.04 -1.26 -3.76 135.00 126.99 9pcy s PRO 66 Ca 0.45 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.48 9pcy s PRO 66 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.69 9pcy s PRO 66 CO 0.33 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 175.17 9pcy n GLY 67 N -0.47 1.18 3.48 0.56 0.00 0.33 -4.94 105.19 105.34 9pcy n GLY 67 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.55 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 0.16 -4.19 1.61 1.02 -1.25 -4.14 120.64 113.86 9pcy n GLU 68 Ca 0.00 0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 9pcy n GLU 68 Cb 0.00 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.36 2.52 -0.12 2.62 -4.23 -1.26 -0.55 115.64 114.26 9pcy s THR 69 Ca 0.79 -1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 9pcy s THR 69 Cb -1.09 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 69.85 9pcy s THR 69 CO 0.56 -0.09 0.09 -0.47 -0.54 0.00 0.00 174.62 174.18 9pcy s TYR 70 N -2.55 0.08 -0.00 3.99 5.04 0.29 -4.98 117.35 119.21 9pcy s TYR 70 Ca 0.39 0.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 9pcy s TYR 70 Cb 0.02 -0.56 -0.04 0.00 0.35 0.00 0.00 41.96 41.74 9pcy s TYR 70 CO 0.22 -0.38 0.02 0.08 -1.34 0.00 0.00 175.55 174.15 9pcy s VAL 71 N 2.18 4.33 0.21 3.14 1.01 -1.26 -0.39 120.40 129.62 9pcy s VAL 71 Ca 0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 9pcy s VAL 71 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 9pcy s VAL 71 CO -0.07 0.38 0.45 0.54 0.00 0.00 0.00 175.10 176.39 9pcy s VAL 72 N -1.11 0.02 -0.11 2.92 0.11 -0.29 -5.02 120.40 116.92 9pcy s VAL 72 Ca 0.20 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 9pcy s VAL 72 Cb -0.12 -1.93 0.06 0.00 -1.53 0.00 0.00 36.38 32.86 9pcy s VAL 72 CO 0.11 -0.11 0.23 -0.89 -3.33 0.00 0.00 175.10 171.11 9pcy s THR 73 N -3.96 -0.28 -0.48 5.04 2.01 -1.26 -0.53 115.64 116.18 9pcy s THR 73 Ca 0.17 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 9pcy s THR 73 Cb 0.00 -0.39 0.12 0.00 0.01 0.00 0.00 72.50 72.25 9pcy s THR 73 CO 0.03 0.11 0.35 -0.76 -0.69 0.00 0.00 174.62 173.66 9pcy s LEU 74 N 2.07 5.70 -0.06 4.42 1.43 -1.09 -4.93 118.68 126.23 9pcy s LEU 74 Ca -0.01 -1.96 -0.24 0.00 -1.03 0.00 0.00 54.13 50.88 9pcy s LEU 74 Cb -0.12 -2.00 -0.25 0.00 0.03 0.00 0.00 46.19 43.85 9pcy s LEU 74 CO -0.08 -0.68 0.97 -0.78 0.23 0.00 0.00 176.35 176.02 9pcy h ASP 75 N 8.39 0.26 -2.90 2.29 3.58 -1.87 0.73 116.42 126.90 9pcy h ASP 75 Ca -0.20 -0.84 -0.55 0.00 0.42 0.00 0.00 57.03 55.86 9pcy h ASP 75 Cb 1.07 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 9pcy h ASP 75 CO 0.85 1.07 0.87 -0.89 -2.88 0.00 0.00 179.24 178.25 9pcy s THR 76 N -2.88 3.98 0.70 2.25 2.01 -1.26 -4.07 115.64 116.36 9pcy s THR 76 Ca -0.16 1.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.97 9pcy s THR 76 Cb 0.00 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.72 9pcy s THR 76 CO 0.76 -0.05 1.14 -0.75 -0.69 0.00 0.00 174.62 175.02 9pcy s LYS 77 N 2.95 2.48 0.00 4.92 2.20 -1.26 -4.85 119.74 126.17 9pcy s LYS 77 Ca 0.61 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 9pcy s LYS 77 Cb -0.27 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 9pcy s LYS 77 CO 0.22 -1.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.11 9pcy n GLY 78 N -0.23 1.33 3.54 5.54 0.00 0.02 -4.76 105.19 110.63 9pcy n GLY 78 Ca 0.11 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.18 4.96 -0.34 2.61 2.01 -1.26 -0.02 115.64 122.43 9pcy s THR 79 Ca 0.00 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 9pcy s THR 79 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.17 9pcy s THR 79 CO 0.00 0.27 0.15 -0.31 -0.69 0.00 0.00 174.62 174.04 9pcy s TYR 80 N 1.71 3.21 -0.08 4.92 1.51 0.20 -3.71 117.35 125.10 9pcy s TYR 80 Ca 0.07 -0.92 -0.24 0.00 -1.01 0.00 0.00 57.07 54.97 9pcy s TYR 80 Cb -0.16 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 9pcy s TYR 80 CO 0.08 -0.59 0.74 -1.12 -1.11 0.00 0.00 175.55 173.55 9pcy s SER 81 N 1.54 7.00 0.25 2.29 0.01 -0.18 -0.78 113.70 123.82 9pcy s SER 81 Ca 0.02 1.21 0.03 0.00 1.31 0.00 0.00 55.95 58.51 9pcy s SER 81 Cb -0.18 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 9pcy s SER 81 CO 0.05 -0.18 0.04 0.72 0.41 0.00 0.00 173.24 174.28 9pcy s PHE 82 N 1.07 1.58 0.19 2.43 -0.12 0.21 -0.90 117.98 122.44 9pcy s PHE 82 Ca 0.38 -1.03 -0.22 0.00 -0.05 0.00 0.00 56.93 56.01 9pcy s PHE 82 Cb -0.18 -0.94 0.06 0.00 -0.63 0.00 0.00 43.02 41.33 9pcy s PHE 82 CO 0.18 -0.15 0.63 1.52 -0.05 0.00 0.00 175.22 177.34 9pcy s TYR 83 N -3.54 -0.45 -0.51 3.49 -0.85 0.43 -0.55 117.35 115.37 9pcy s TYR 83 Ca 0.32 0.18 -0.16 0.00 -0.52 0.00 0.00 57.07 56.89 9pcy s TYR 83 Cb 0.07 0.59 0.10 0.00 0.38 0.00 0.00 41.96 43.10 9pcy s TYR 83 CO 0.11 -0.95 0.46 0.00 -1.52 0.00 0.00 175.55 173.65 9pcy h SER 85 N 8.83 -1.89 0.00 0.00 4.64 -1.87 0.17 113.55 123.44 9pcy h SER 85 Ca -0.29 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 9pcy h SER 85 Cb 1.10 0.83 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 9pcy h SER 85 CO 0.96 -0.21 0.00 -0.81 -0.87 0.00 0.00 176.83 175.89 9pcy n PRO 86 N -4.99 0.00 -0.16 4.77 -0.04 -1.26 -1.82 135.00 131.50 9pcy n PRO 86 Ca 0.01 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 9pcy n PRO 86 Cb 0.23 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.30 0.00 -0.25 0.54 8.25 0.28 -4.84 115.22 117.90 9pcy n HIS 87 Ca 0.00 -0.20 -0.05 0.00 -0.26 0.00 0.00 57.72 57.21 9pcy n HIS 87 Cb 0.00 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.12 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 0.94 -0.27 -0.41 3.07 -0.01 -0.31 115.11 118.12 9pcy h GLN 88 Ca 0.00 -0.08 0.04 0.00 0.09 0.00 0.00 58.65 58.71 9pcy h GLN 88 Cb 1.04 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.39 9pcy h GLN 88 CO 0.00 0.65 0.19 0.78 0.09 0.00 0.00 178.83 180.54 9pcy h GLY 89 N 0.94 0.21 -0.25 0.06 0.00 -1.87 0.46 103.07 102.62 9pcy h GLY 89 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.51 9pcy h GLY 89 CO -0.05 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.55 9pcy n ALA 90 N -2.54 2.55 -0.81 3.60 0.00 -0.40 -4.90 120.51 118.01 9pcy n ALA 90 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 9pcy n ALA 90 Cb 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.94 0.53 3.35 0.00 0.00 0.15 -4.97 105.19 105.19 9pcy n GLY 91 Ca 0.14 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.81 2.91 -4.61 1.61 0.00 -0.26 -4.88 117.12 109.08 9pcy n MET 92 Ca 0.00 -2.99 -0.28 0.00 -0.00 0.00 0.00 57.70 54.44 9pcy n MET 92 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 33.22 29.66 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 4.62 1.98 0.13 1.12 -7.23 -1.26 -0.88 120.40 118.87 9pcy s VAL 93 Ca 0.54 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 9pcy s VAL 93 Cb 0.06 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 34.09 9pcy s VAL 93 CO 0.04 -0.00 1.07 -0.83 -0.31 0.00 0.00 175.10 175.07 9pcy s GLY 94 N -3.70 -0.12 -0.13 2.32 0.00 0.28 -4.57 107.32 101.40 9pcy s GLY 94 Ca 0.35 0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 9pcy s GLY 94 CO 0.18 1.36 0.34 0.54 0.00 0.00 0.00 173.10 175.52 9pcy s LYS 95 N -2.61 0.39 -0.14 2.90 1.02 -1.01 -0.62 119.74 119.67 9pcy s LYS 95 Ca 0.18 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.66 9pcy s LYS 95 Cb -0.01 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 9pcy s LYS 95 CO 0.02 -0.06 -0.13 0.54 -0.92 0.00 0.00 175.35 174.81 9pcy s VAL 96 N 0.29 1.45 -0.59 3.17 0.11 0.04 -1.37 120.40 123.49 9pcy s VAL 96 Ca -0.01 -0.55 -0.19 0.00 -2.93 0.00 0.00 61.98 58.30 9pcy s VAL 96 Cb -0.03 -1.37 0.10 0.00 -1.53 0.00 0.00 36.38 33.54 9pcy s VAL 96 CO -0.01 0.44 0.71 -0.89 -3.33 0.00 0.00 175.10 172.03 9pcy s THR 97 N 1.52 4.79 -0.55 5.04 2.01 0.09 -0.63 115.64 127.91 9pcy s THR 97 Ca 0.05 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 9pcy s THR 97 Cb -0.13 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 67.93 9pcy s THR 97 CO -0.10 -1.12 1.20 -0.69 -0.69 0.00 0.00 174.62 173.22 9pcy s VAL 98 N 2.78 4.04 0.00 3.82 1.01 0.97 -0.68 120.40 132.35 9pcy s VAL 98 Ca 0.13 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.07 9pcy s VAL 98 Cb -0.23 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.47 9pcy s VAL 98 CO 0.07 -1.25 0.00 -0.46 0.00 0.00 0.00 175.10 173.47