#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub s SER 2 N 0.00 1.70 0.28 1.61 0.01 -1.26 -5.13 113.70 110.91 2cub s SER 2 Ca 0.00 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 2cub s SER 2 Cb 0.00 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2cub s SER 2 CO 0.00 -0.03 0.49 -0.94 0.41 0.00 0.00 173.24 173.17 2cub s SER 3 N 1.00 0.16 -0.12 2.44 1.04 -1.26 -5.12 113.70 111.85 2cub s SER 3 Ca -0.09 -1.09 -0.41 0.00 0.48 0.00 0.00 55.95 54.85 2cub s SER 3 Cb -0.15 0.62 -0.19 0.00 0.10 0.00 0.00 66.02 66.40 2cub s SER 3 CO -0.00 -1.21 1.32 0.61 0.98 0.00 0.00 173.24 174.93 2cub n GLY 4 N -0.43 0.11 3.25 7.32 0.00 -1.26 -4.95 105.19 109.23 2cub n GLY 4 Ca -0.01 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 2cub n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 5 N 1.14 -0.37 -0.07 1.61 0.01 -1.26 -5.15 113.70 109.62 2cub s SER 5 Ca 0.93 0.91 0.01 0.00 1.31 0.00 0.00 55.95 59.11 2cub s SER 5 Cb -1.23 0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.99 2cub s SER 5 CO 0.61 -0.21 -0.06 -0.44 0.41 0.00 0.00 173.24 173.55 2cub s SER 6 N 1.90 1.51 0.00 2.44 0.01 -1.26 -4.89 113.70 113.42 2cub s SER 6 Ca -0.06 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2cub s SER 6 Cb -0.10 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2cub s SER 6 CO -0.12 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2cub n GLY 7 N 4.35 0.36 3.85 3.44 0.00 -1.26 -5.15 105.19 110.78 2cub n GLY 7 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2cub n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 8 N -0.58 6.77 0.44 1.61 1.01 -1.26 -4.98 116.67 119.68 2cub s ASP 8 Ca 0.00 0.97 0.30 0.00 0.71 0.00 0.00 52.55 54.53 2cub s ASP 8 Cb 0.00 -2.25 1.24 0.00 1.01 0.00 0.00 42.92 42.93 2cub s ASP 8 CO 0.00 0.16 1.89 1.55 0.21 0.00 0.00 175.17 178.98 2cub h PRO 9 N 3.80 0.00 0.00 8.23 0.13 -2.04 -3.48 132.00 138.63 2cub h PRO 9 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2cub h PRO 9 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cub h PRO 9 CO 0.65 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 2cub n GLY 10 N -0.02 0.73 2.96 1.56 0.00 -1.26 -5.11 105.19 104.06 2cub n GLY 10 Ca 0.01 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 2cub n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cub s GLU 11 N -0.90 0.20 0.08 1.61 2.56 -1.26 -5.16 118.70 115.83 2cub s GLU 11 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 54.97 54.76 2cub s GLU 11 Cb 0.00 0.08 -0.03 0.00 2.00 0.00 0.00 34.13 36.18 2cub s GLU 11 CO 0.00 -0.04 -0.16 -0.98 -0.56 0.00 0.00 175.26 173.52 2cub s ARG 12 N -0.74 0.92 -0.11 4.30 1.70 -1.26 -4.96 118.95 118.81 2cub s ARG 12 Ca -0.08 -1.04 -0.02 0.00 -0.47 0.00 0.00 55.73 54.12 2cub s ARG 12 Cb -0.05 -1.00 0.04 0.00 -0.57 0.00 0.00 34.95 33.36 2cub s ARG 12 CO -0.00 0.23 0.02 -0.51 -1.08 0.00 0.00 175.30 173.95 2cub s LEU 13 N -1.83 0.69 0.28 -1.89 1.02 -1.26 -5.12 118.68 110.57 2cub s LEU 13 Ca 0.01 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 53.90 2cub s LEU 13 Cb -0.10 -0.45 -0.04 0.00 0.02 0.00 0.00 46.19 45.63 2cub s LEU 13 CO 0.03 -0.24 0.19 -0.72 0.02 0.00 0.00 176.35 175.63 2cub s TYR 14 N 1.97 1.52 -1.69 0.29 1.13 -1.26 -2.56 117.35 116.75 2cub s TYR 14 Ca 0.03 -1.46 -0.20 0.00 -1.41 0.00 0.00 57.07 54.03 2cub s TYR 14 Cb -0.14 -0.73 0.18 0.00 -1.10 0.00 0.00 41.96 40.17 2cub s TYR 14 CO -0.06 -0.66 0.68 -3.47 -2.51 0.00 0.00 175.55 169.53 2cub n ASP 15 N -0.94 -2.77 0.01 -0.18 2.03 0.59 -4.84 116.55 110.46 2cub n ASP 15 Ca 0.03 -1.01 -0.13 0.00 0.52 0.00 0.00 54.79 54.21 2cub n ASP 15 Cb 0.64 -2.31 -0.10 0.00 -0.72 0.00 0.00 41.12 38.64 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cub h LEU 16 N -1.19 -0.07 0.82 -2.67 4.07 -1.51 -3.48 115.31 111.27 2cub h LEU 16 Ca -0.56 -0.48 -0.21 0.00 0.08 0.00 0.00 57.88 56.71 2cub h LEU 16 Cb 1.37 0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.14 2cub h LEU 16 CO 0.78 0.47 -0.29 -3.20 -1.08 0.00 0.00 178.44 175.12 2cub n ASN 17 N -4.87 -3.72 -4.65 -0.43 2.85 0.42 -4.97 115.26 99.88 2cub n ASN 17 Ca -0.09 -0.09 -0.41 0.00 -0.11 0.00 0.00 54.58 53.89 2cub n ASN 17 Cb 0.27 -2.77 -0.05 0.00 1.24 0.00 0.00 39.78 38.47 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2cub s MET 18 N -4.86 4.21 0.00 1.20 -1.94 -0.36 -4.72 119.30 112.83 2cub s MET 18 Ca 0.09 0.79 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 2cub s MET 18 Cb -0.04 -3.61 -0.06 0.00 2.01 0.00 0.00 34.83 33.14 2cub s MET 18 CO 0.11 -0.37 1.45 -1.25 -0.01 0.00 0.00 175.02 174.95 2cub s PRO 19 N 2.32 4.26 0.40 2.03 0.04 -1.26 -0.01 135.00 142.78 2cub s PRO 19 Ca 0.32 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.46 2cub s PRO 19 Cb -0.16 -3.60 -0.06 0.00 0.04 0.00 0.00 34.50 30.72 2cub s PRO 19 CO 0.10 -0.62 0.12 0.00 0.04 0.00 0.00 177.00 176.63 2cub s ALA 20 N 2.56 3.43 -0.22 8.56 0.00 0.82 -1.81 121.76 135.10 2cub s ALA 20 Ca 0.66 -2.13 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2cub s ALA 20 Cb -0.32 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.58 2cub s ALA 20 CO 0.27 -0.12 -0.08 -0.47 0.00 0.00 0.00 175.76 175.37 2cub s TYR 21 N -2.61 2.47 -0.64 0.00 5.04 0.15 -1.44 117.35 120.33 2cub s TYR 21 Ca 0.39 -1.73 -0.26 0.00 -2.44 0.00 0.00 57.07 53.03 2cub s TYR 21 Cb 0.04 -1.63 -0.06 0.00 0.35 0.00 0.00 41.96 40.66 2cub s TYR 21 CO 0.21 -0.77 2.17 0.08 -1.34 0.00 0.00 175.55 175.91 2cub s VAL 22 N 1.37 3.18 0.24 3.14 1.01 -0.91 -0.98 120.40 127.45 2cub s VAL 22 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2cub s VAL 22 Cb -0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2cub s VAL 22 CO -0.07 -0.43 1.58 0.11 0.00 0.00 0.00 175.10 176.30 2cub h LYS 23 N 15.81 0.36 -4.94 2.72 1.57 0.89 -1.46 116.57 131.52 2cub h LYS 23 Ca -0.16 -0.22 -0.44 0.00 -1.87 0.00 0.00 60.65 57.97 2cub h LYS 23 Cb 1.15 0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.19 2cub h LYS 23 CO 1.16 0.80 -0.79 -0.06 -0.57 0.00 0.00 179.45 179.98 2cub s PHE 24 N -3.97 1.03 -0.11 -1.35 0.08 -0.72 -4.65 117.98 108.29 2cub s PHE 24 Ca -0.05 -0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 2cub s PHE 24 Cb 0.12 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 2cub s PHE 24 CO 0.81 -0.04 1.59 0.54 -0.10 0.00 0.00 175.22 178.02 2cub s ASN 25 N -0.18 6.63 -0.20 1.36 2.20 -1.26 -4.27 114.94 119.21 2cub s ASN 25 Ca 0.03 2.00 -0.05 0.00 -0.94 0.00 0.00 52.86 53.90 2cub s ASN 25 Cb -0.05 -2.53 -0.02 0.00 -2.00 0.00 0.00 41.25 36.64 2cub s ASN 25 CO -0.00 -0.99 -0.00 -0.47 -2.94 0.00 0.00 177.10 172.70 2cub s TYR 26 N 4.27 3.03 -0.09 1.54 6.14 -0.29 -4.87 117.35 127.08 2cub s TYR 26 Ca 0.70 -0.52 -0.19 0.00 0.64 0.00 0.00 57.07 57.70 2cub s TYR 26 Cb -0.29 -2.09 -0.04 0.00 0.42 0.00 0.00 41.96 39.95 2cub s TYR 26 CO 0.27 -0.28 0.52 1.41 0.64 0.00 0.00 175.55 178.10 2cub s MET 27 N 1.08 4.32 0.12 4.97 -2.45 -1.26 0.18 119.30 126.26 2cub s MET 27 Ca 0.02 0.54 -0.03 0.00 -1.25 0.00 0.00 55.69 54.98 2cub s MET 27 Cb -0.14 -3.41 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 2cub s MET 27 CO 0.01 0.21 0.32 0.00 1.05 0.00 0.00 175.02 176.62 2cub s ALA 28 N 0.42 3.87 0.00 4.11 0.00 -1.26 -4.89 121.76 124.01 2cub s ALA 28 Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2cub s ALA 28 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2cub s ALA 28 CO 0.12 0.70 0.00 0.39 0.00 0.00 0.00 175.76 176.97 2cub n GLU 29 N 0.07 2.94 -4.36 0.00 1.02 -1.26 -4.90 120.64 114.15 2cub n GLU 29 Ca -0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.78 2cub n GLU 29 Cb 0.52 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 2cub n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2cub s ARG 30 N -1.94 2.73 0.45 3.49 0.52 -1.26 -4.99 118.95 117.94 2cub s ARG 30 Ca 0.00 -0.62 0.26 0.00 -0.52 0.00 0.00 55.73 54.85 2cub s ARG 30 Cb 0.00 -2.63 1.30 0.00 0.52 0.00 0.00 34.95 34.15 2cub s ARG 30 CO 0.00 0.63 1.74 1.05 0.02 0.00 0.00 175.30 178.73 2cub h GLU 31 N 4.50 0.21 -0.18 3.54 -0.00 -1.99 0.96 114.58 121.62 2cub h GLU 31 Ca -0.49 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 58.79 2cub h GLU 31 Cb 1.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 2cub h GLU 31 CO 0.56 0.14 -0.20 -0.44 -0.00 0.00 0.00 179.01 179.07 2cub h ASP 32 N 0.22 0.31 -3.75 3.06 5.19 -1.94 -3.44 116.42 116.07 2cub h ASP 32 Ca 0.65 -0.08 -0.49 0.00 -0.62 0.00 0.00 57.03 56.49 2cub h ASP 32 Cb 2.01 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 41.41 2cub h ASP 32 CO -0.25 0.53 0.16 -1.61 -3.12 0.00 0.00 179.24 174.95 2cub s GLU 33 N -4.58 4.15 -0.09 3.56 2.02 0.33 0.14 118.70 124.24 2cub s GLU 33 Ca -0.06 0.85 0.02 0.00 0.02 0.00 0.00 54.97 55.80 2cub s GLU 33 Cb 0.15 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 2cub s GLU 33 CO 0.76 0.20 -0.14 -1.17 0.02 0.00 0.00 175.26 174.93 2cub s LEU 34 N -2.65 2.70 -0.44 1.80 2.96 -1.24 -4.60 118.68 117.21 2cub s LEU 34 Ca 0.52 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 2cub s LEU 34 Cb -0.12 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2cub s LEU 34 CO 0.18 0.25 1.12 -0.94 -1.32 0.00 0.00 176.35 175.64 2cub s SER 35 N -0.16 6.70 0.41 3.68 1.04 -1.26 -4.42 113.70 119.71 2cub s SER 35 Ca -0.01 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 2cub s SER 35 Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2cub s SER 35 CO 0.03 -1.16 0.70 -0.76 0.98 0.00 0.00 173.24 173.03 2cub s LEU 36 N 4.26 3.80 -0.07 2.42 1.43 0.48 -4.89 118.68 126.11 2cub s LEU 36 Ca 0.47 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2cub s LEU 36 Cb -0.08 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.44 2cub s LEU 36 CO 0.28 -0.44 -0.09 -0.63 0.23 0.00 0.00 176.35 175.70 2cub s ILE 37 N -2.51 0.91 -0.12 -0.59 1.01 -1.26 -1.14 121.20 117.50 2cub s ILE 37 Ca 0.46 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2cub s ILE 37 Cb -0.10 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 2cub s ILE 37 CO 0.39 0.31 1.82 -0.75 0.00 0.00 0.00 174.94 176.72 2cub s LYS 38 N 0.96 3.83 0.00 2.79 2.20 -1.26 -2.60 119.74 125.67 2cub s LYS 38 Ca -0.10 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 2cub s LYS 38 Cb -0.15 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 2cub s LYS 38 CO 0.00 -1.27 0.00 0.41 -0.36 0.00 0.00 175.35 174.13 2cub n GLY 39 N 4.73 1.47 2.44 5.54 0.00 -0.55 -4.88 105.19 113.94 2cub n GLY 39 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2cub n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cub n THR 40 N -1.14 0.00 -4.37 2.61 -2.24 -1.07 -5.02 114.28 103.06 2cub n THR 40 Ca 0.00 -1.70 -0.20 0.00 -2.27 0.00 0.00 64.05 59.88 2cub n THR 40 Cb 0.00 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 68.64 2cub n THR 40 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2cub s LYS 41 N -3.15 0.86 0.38 -0.78 2.20 -1.26 -2.13 119.74 115.86 2cub s LYS 41 Ca 0.12 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.48 2cub s LYS 41 Cb 0.01 -0.82 -0.07 0.00 -1.51 0.00 0.00 37.83 35.44 2cub s LYS 41 CO 0.08 0.13 0.03 0.14 -0.36 0.00 0.00 175.35 175.38 2cub s VAL 42 N 0.08 1.55 -0.27 4.02 -7.23 -0.52 -4.94 120.40 113.08 2cub s VAL 42 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2cub s VAL 42 Cb -0.07 -2.83 0.06 0.00 0.56 0.00 0.00 36.38 34.10 2cub s VAL 42 CO 0.00 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.08 2cub s ILE 43 N -2.99 2.27 0.14 -0.62 -1.09 -0.84 -0.12 121.20 117.95 2cub s ILE 43 Ca 0.33 -1.69 -0.30 0.00 -2.23 0.00 0.00 60.65 56.76 2cub s ILE 43 Cb 0.09 -2.37 -0.07 0.00 -1.58 0.00 0.00 42.46 38.52 2cub s ILE 43 CO 0.16 -0.10 1.22 -0.69 -1.23 0.00 0.00 174.94 174.29 2cub s VAL 44 N 1.09 3.67 -0.04 2.92 1.01 0.98 -0.17 120.40 129.87 2cub s VAL 44 Ca -0.06 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.27 2cub s VAL 44 Cb -0.20 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2cub s VAL 44 CO -0.05 0.17 0.01 0.23 0.00 0.00 0.00 175.10 175.46 2cub n MET 45 N 3.04 3.39 -3.90 2.72 2.81 0.68 0.16 117.12 126.03 2cub n MET 45 Ca 0.06 -0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.86 2cub n MET 45 Cb 0.45 -1.09 -0.09 0.00 -0.71 0.00 0.00 33.22 31.78 2cub n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2cub s GLU 46 N -2.09 0.69 -0.02 0.03 2.02 -0.20 0.22 118.70 119.36 2cub s GLU 46 Ca -0.02 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2cub s GLU 46 Cb 0.01 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.53 2cub s GLU 46 CO 0.15 -0.19 -0.01 0.15 0.02 0.00 0.00 175.26 175.37 2cub s LYS 47 N -3.06 0.26 -0.31 1.61 1.02 -1.06 -0.53 119.74 117.67 2cub s LYS 47 Ca -0.01 -0.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.86 2cub s LYS 47 Cb 0.01 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2cub s LYS 47 CO -0.07 -0.05 0.21 0.00 -0.92 0.00 0.00 175.35 174.53 2cub h SER 49 N 8.42 0.00 -0.60 0.00 4.64 -1.93 0.91 113.55 124.99 2cub h SER 49 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2cub h SER 49 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2cub h SER 49 CO 0.59 0.00 0.38 0.44 -0.87 0.00 0.00 176.83 177.37 2cub h ASP 50 N 0.00 0.70 0.00 4.97 5.19 -2.03 -3.46 116.42 121.79 2cub h ASP 50 Ca 0.71 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 2cub h ASP 50 Cb 3.17 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 42.50 2cub h ASP 50 CO -0.01 0.52 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 2cub n GLY 51 N -1.21 0.73 3.76 2.75 0.00 0.31 -5.14 105.19 106.40 2cub n GLY 51 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2cub n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 52 N 0.00 3.85 0.33 1.61 0.52 -1.23 -3.34 118.94 120.67 2cub s TRP 52 Ca 0.00 1.85 0.09 0.00 0.02 0.00 0.00 56.10 58.07 2cub s TRP 52 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 2cub s TRP 52 CO 0.00 0.31 -0.01 -1.58 0.02 0.00 0.00 176.95 175.69 2cub s TRP 53 N -1.36 2.54 -0.24 -1.98 0.52 0.12 -0.11 118.94 118.43 2cub s TRP 53 Ca 0.45 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 56.13 2cub s TRP 53 Cb -0.23 -1.43 0.07 0.00 -1.15 0.00 0.00 33.47 30.73 2cub s TRP 53 CO 0.29 0.51 0.06 0.50 0.02 0.00 0.00 176.95 178.32 2cub s ARG 54 N -3.70 0.70 0.00 4.98 3.52 0.31 0.25 118.95 125.02 2cub s ARG 54 Ca 0.34 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 2cub s ARG 54 Cb -0.01 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2cub s ARG 54 CO 0.19 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 2cub n GLY 55 N 4.98 5.68 3.09 8.12 0.00 -1.16 -0.23 105.19 125.68 2cub n GLY 55 Ca -0.07 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 2cub n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 56 N 0.02 1.36 -0.23 1.61 0.15 0.75 -2.82 113.70 114.55 2cub s SER 56 Ca 0.00 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 2cub s SER 56 Cb 0.00 -0.09 0.11 0.00 -1.71 0.00 0.00 66.02 64.33 2cub s SER 56 CO 0.00 0.02 0.28 -0.47 1.20 0.00 0.00 173.24 174.28 2cub s TYR 57 N -0.72 -0.49 -0.84 3.44 6.14 0.17 -1.99 117.35 123.06 2cub s TYR 57 Ca 0.01 0.33 -0.04 0.00 0.64 0.00 0.00 57.07 58.01 2cub s TYR 57 Cb -0.07 -0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.05 2cub s TYR 57 CO 0.01 -0.70 0.73 -1.71 0.64 0.00 0.00 175.55 174.51 2cub n ASN 58 N 5.33 -3.86 0.00 4.32 5.15 -1.26 -2.36 115.26 122.59 2cub n ASN 58 Ca -0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 2cub n ASN 58 Cb 0.49 -3.46 0.00 0.00 -0.53 0.00 0.00 39.78 36.28 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cub n GLY 59 N -1.34 2.99 3.88 8.20 0.00 -1.26 -4.99 105.19 112.66 2cub n GLY 59 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2cub n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cub s GLN 60 N -0.01 3.72 -0.05 1.61 -0.21 -0.99 -5.09 119.66 118.63 2cub s GLN 60 Ca 0.00 0.49 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 2cub s GLN 60 Cb 0.00 -2.32 0.02 0.00 1.00 0.00 0.00 33.01 31.72 2cub s GLN 60 CO 0.00 -0.17 0.13 0.08 -2.12 0.00 0.00 175.29 173.21 2cub s VAL 61 N -2.60 -0.02 0.00 1.09 1.01 -1.26 -0.66 120.40 117.96 2cub s VAL 61 Ca 0.52 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2cub s VAL 61 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2cub s VAL 61 CO 0.38 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2cub n GLY 62 N 3.58 2.47 3.09 4.51 0.00 -1.13 -4.82 105.19 112.91 2cub n GLY 62 Ca -0.19 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2cub n GLY 62 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 63 N -3.59 3.04 0.15 1.61 0.52 0.36 -2.99 118.94 118.04 2cub s TRP 63 Ca 0.00 -2.00 0.09 0.00 0.02 0.00 0.00 56.10 54.20 2cub s TRP 63 Cb 0.00 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2cub s TRP 63 CO 0.00 -0.85 -0.19 -0.59 0.02 0.00 0.00 176.95 175.34 2cub s PHE 64 N 1.19 1.84 0.09 -1.98 -0.12 0.14 -3.63 117.98 115.51 2cub s PHE 64 Ca -0.02 -0.45 -0.31 0.00 -0.05 0.00 0.00 56.93 56.10 2cub s PHE 64 Cb -0.17 -0.95 -0.07 0.00 -0.63 0.00 0.00 43.02 41.20 2cub s PHE 64 CO -0.09 0.30 1.38 -1.25 -0.05 0.00 0.00 175.22 175.51 2cub s PRO 65 N -2.51 4.32 0.00 1.99 0.04 -1.26 0.11 135.00 137.69 2cub s PRO 65 Ca 0.13 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.36 2cub s PRO 65 Cb -0.07 -3.32 0.78 0.00 0.04 0.00 0.00 34.50 31.93 2cub s PRO 65 CO 0.06 -0.45 1.43 -1.13 0.04 0.00 0.00 177.00 176.95 2cub n SER 66 N 4.20 0.00 0.18 6.66 3.41 -1.21 -2.20 113.62 124.66 2cub n SER 66 Ca 0.12 0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.84 2cub n SER 66 Cb 0.43 -0.27 0.16 0.00 -0.26 0.00 0.00 64.21 64.27 2cub n SER 66 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2cub h ASN 67 N 0.00 0.00 0.89 4.04 2.35 -1.90 -3.20 115.58 117.77 2cub h ASN 67 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2cub h ASN 67 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2cub h ASN 67 CO 0.00 0.30 -1.19 1.88 -1.65 0.00 0.00 177.43 176.78 2cub h TYR 68 N 0.00 0.00 -1.78 1.19 -1.99 -1.79 -3.47 116.97 109.13 2cub h TYR 68 Ca -0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 2cub h TYR 68 Cb 1.14 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.80 2cub h TYR 68 CO 0.00 0.51 -0.51 0.14 -0.00 0.00 0.00 178.16 178.31 2cub s VAL 69 N -2.97 2.87 -0.00 -2.88 -7.23 -1.21 0.14 120.40 109.12 2cub s VAL 69 Ca -0.01 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2cub s VAL 69 Cb 0.08 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2cub s VAL 69 CO 0.80 -0.12 -0.00 0.28 -0.31 0.00 0.00 175.10 175.74 2cub s THR 70 N -2.46 0.03 -0.39 5.32 -1.32 -0.15 -4.83 115.64 111.84 2cub s THR 70 Ca 0.40 0.01 -0.27 0.00 -1.21 0.00 0.00 61.69 60.61 2cub s THR 70 Cb -0.01 -0.05 -0.05 0.00 -1.51 0.00 0.00 72.50 70.87 2cub s THR 70 CO 0.23 0.02 2.21 -1.61 -2.21 0.00 0.00 174.62 173.27 2cub s GLU 71 N 0.12 2.65 -0.17 7.08 2.02 -1.26 0.32 118.70 129.47 2cub s GLU 71 Ca -0.01 1.54 -0.22 0.00 0.02 0.00 0.00 54.97 56.30 2cub s GLU 71 Cb -0.02 -4.45 -0.03 0.00 0.10 0.00 0.00 34.13 29.74 2cub s GLU 71 CO -0.00 -2.65 0.67 -2.00 0.02 0.00 0.00 175.26 171.29 2cub s GLU 72 N 7.17 4.27 0.00 1.61 -6.30 -0.75 -4.93 118.70 119.77 2cub s GLU 72 Ca 0.93 0.72 0.00 0.00 -2.50 0.00 0.00 54.97 54.13 2cub s GLU 72 Cb -0.23 -3.55 0.00 0.00 0.00 0.00 0.00 34.13 30.36 2cub s GLU 72 CO 0.29 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2cub n GLY 73 N 3.58 3.70 3.56 -1.50 0.00 -1.26 -4.67 105.19 108.61 2cub n GLY 73 Ca -0.01 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 2cub n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 74 N 0.00 -6.21 -4.89 1.61 8.00 -1.26 -4.99 116.55 108.81 2cub n ASP 74 Ca 0.00 -0.53 -0.35 0.00 0.71 0.00 0.00 54.79 54.62 2cub n ASP 74 Cb 0.00 -4.97 -0.05 0.00 -0.02 0.00 0.00 41.12 36.08 2cub n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2cub s SER 75 N -3.35 6.45 -0.02 -2.24 1.04 -1.26 -5.06 113.70 109.27 2cub s SER 75 Ca 0.56 0.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.19 2cub s SER 75 Cb -0.25 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 2cub s SER 75 CO 0.72 0.27 1.46 -2.16 0.98 0.00 0.00 173.24 174.51 2cub s PRO 76 N -1.72 4.25 0.32 4.02 0.04 -1.26 -4.99 135.00 135.66 2cub s PRO 76 Ca 0.26 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2cub s PRO 76 Cb -0.13 -3.67 -0.10 0.00 0.04 0.00 0.00 34.50 30.64 2cub s PRO 76 CO 0.15 -0.66 1.22 -0.51 0.04 0.00 0.00 177.00 177.25 2cub s LEU 77 N 2.83 4.44 0.00 -3.56 2.01 -1.26 -5.04 118.68 118.10 2cub s LEU 77 Ca 0.66 2.51 0.00 0.00 0.01 0.00 0.00 54.13 57.31 2cub s LEU 77 Cb -0.32 -3.68 0.00 0.00 0.01 0.00 0.00 46.19 42.20 2cub s LEU 77 CO 0.26 -0.42 0.00 0.61 1.01 0.00 0.00 176.35 177.81 2cub n GLY 78 N 0.91 1.90 3.08 -3.19 0.00 -1.26 -5.13 105.19 101.50 2cub n GLY 78 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 2cub n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 79 N -1.00 1.70 -0.36 1.61 2.15 -1.26 -5.11 116.67 114.40 2cub s ASP 79 Ca 0.00 -0.27 -0.25 0.00 0.43 0.00 0.00 52.55 52.46 2cub s ASP 79 Cb 0.00 -0.41 0.01 0.00 -0.30 0.00 0.00 42.92 42.22 2cub s ASP 79 CO 0.00 0.12 0.90 -2.28 -0.17 0.00 0.00 175.17 173.74 2cub s HIS 80 N 0.02 3.09 -0.31 -5.34 5.65 -1.26 -5.02 115.29 112.12 2cub s HIS 80 Ca -0.02 0.75 -0.08 0.00 0.25 0.00 0.00 55.06 55.96 2cub s HIS 80 Cb -0.09 -3.59 0.01 0.00 -1.18 0.00 0.00 32.58 27.73 2cub s HIS 80 CO 0.01 -0.80 0.12 0.08 -0.65 0.00 0.00 174.74 173.50 2cub s VAL 81 N 3.39 4.25 0.00 0.89 1.01 -1.26 -5.07 120.40 123.61 2cub s VAL 81 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2cub s VAL 81 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2cub s VAL 81 CO 0.18 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2cub n GLY 82 N 4.92 -2.52 0.29 4.51 0.00 -1.26 -4.70 105.19 106.43 2cub n GLY 82 Ca -0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2cub n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cub h SER 83 N 0.00 0.97 -2.89 1.61 4.64 -2.07 -3.49 113.55 112.32 2cub h SER 83 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2cub h SER 83 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2cub h SER 83 CO 0.00 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 2cub n GLY 84 N -0.51 4.06 3.57 -0.77 0.00 -1.26 -5.13 105.19 105.16 2cub n GLY 84 Ca 0.03 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2cub n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cub s PRO 85 N -4.36 -1.61 -0.16 1.61 0.04 -1.26 -5.04 135.00 124.22 2cub s PRO 85 Ca 0.00 -0.20 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 2cub s PRO 85 Cb 0.00 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.94 2cub s PRO 85 CO 0.00 -3.94 0.04 0.45 0.04 0.00 0.00 177.00 173.59 2cub s SER 86 N -4.00 5.47 -0.13 6.66 0.15 -1.26 -5.10 113.70 115.50 2cub s SER 86 Ca 0.72 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 57.43 2cub s SER 86 Cb -0.07 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2cub s SER 86 CO 0.56 0.22 -0.05 -0.44 1.20 0.00 0.00 173.24 174.72 2cub s SER 87 N 0.11 4.70 0.00 5.45 0.01 -1.26 -5.36 113.70 117.35 2cub s SER 87 Ca 0.04 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2cub s SER 87 Cb -0.12 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2cub s SER 87 CO 0.01 0.23 0.41 0.61 0.41 0.00 0.00 173.24 174.91