#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 1.86 -0.16 1.61 1.04 -1.26 -5.09 113.70 111.69 2cub s SER 2 Ca 0.00 -0.27 -0.28 0.00 0.48 0.00 0.00 55.95 55.87 2cub s SER 2 Cb 0.00 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.28 2cub s SER 2 CO 0.00 -0.05 2.17 -0.55 0.98 0.00 0.00 173.24 175.79 2cub s SER 3 N 1.20 5.66 0.00 7.02 0.15 -1.26 -4.60 113.70 121.86 2cub s SER 3 Ca -0.05 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2cub s SER 3 Cb -0.14 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2cub s SER 3 CO -0.02 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.25 2cub n GLY 4 N 5.51 -0.90 1.15 9.45 0.00 -1.26 -5.05 105.19 114.09 2cub n GLY 4 Ca 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2cub n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cub n SER 5 N -0.77 0.50 -4.47 1.61 3.41 -1.26 -4.99 113.62 107.64 2cub n SER 5 Ca 0.00 0.10 -0.44 0.00 -0.26 0.00 0.00 58.87 58.27 2cub n SER 5 Cb 0.00 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 2cub n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cub n SER 6 N -3.23 1.28 -0.08 4.04 3.41 -1.26 -4.79 113.62 112.98 2cub n SER 6 Ca 0.00 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 2cub n SER 6 Cb 0.21 -1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 62.94 2cub n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cub n GLY 7 N 6.49 -0.91 2.74 5.00 0.00 -1.26 -4.95 105.19 112.29 2cub n GLY 7 Ca 0.52 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 2cub n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cub n ASP 8 N -4.55 -0.99 -0.01 1.61 -0.08 -1.26 -4.85 116.55 106.42 2cub n ASP 8 Ca -0.16 0.91 -0.08 0.00 -1.51 0.00 0.00 54.79 53.96 2cub n ASP 8 Cb 0.41 -0.77 0.09 0.00 2.34 0.00 0.00 41.12 43.19 2cub n ASP 8 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2cub h PRO 9 N 0.84 0.58 -3.00 -0.67 0.13 -2.03 -3.49 132.00 124.35 2cub h PRO 9 Ca -0.23 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2cub h PRO 9 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2cub h PRO 9 CO 0.46 0.90 -0.26 0.41 -0.23 0.00 0.00 178.00 179.27 2cub n GLY 10 N 0.04 -3.42 3.60 1.56 0.00 -1.26 -4.87 105.19 100.84 2cub n GLY 10 Ca -0.02 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2cub n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cub s GLU 11 N -1.30 3.30 -0.55 1.61 8.01 -1.26 -4.94 118.70 123.57 2cub s GLU 11 Ca -0.03 1.68 -0.20 0.00 0.01 0.00 0.00 54.97 56.42 2cub s GLU 11 Cb 0.00 -4.25 0.06 0.00 -4.31 0.00 0.00 34.13 25.64 2cub s GLU 11 CO 0.09 -1.90 0.74 0.50 0.01 0.00 0.00 175.26 174.70 2cub s ARG 12 N 5.83 3.15 -0.09 1.61 6.06 -1.26 -4.77 118.95 129.48 2cub s ARG 12 Ca 0.87 -0.83 0.02 0.00 -2.50 0.00 0.00 55.73 53.29 2cub s ARG 12 Cb -0.27 -4.13 0.02 0.00 0.06 0.00 0.00 34.95 30.62 2cub s ARG 12 CO 0.34 -1.40 -0.13 -0.51 -2.50 0.00 0.00 175.30 171.10 2cub s LEU 13 N 3.08 1.60 0.34 -0.88 1.02 -1.26 -5.13 118.68 117.45 2cub s LEU 13 Ca 0.18 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 2cub s LEU 13 Cb -0.18 -0.94 -0.00 0.00 0.02 0.00 0.00 46.19 45.09 2cub s LEU 13 CO 0.12 0.00 0.44 -0.72 0.02 0.00 0.00 176.35 176.22 2cub s TYR 14 N 0.95 1.16 -1.59 0.29 -0.85 -1.26 -3.03 117.35 113.02 2cub s TYR 14 Ca -0.08 -1.35 -0.17 0.00 -0.52 0.00 0.00 57.07 54.95 2cub s TYR 14 Cb -0.15 -0.18 0.17 0.00 0.38 0.00 0.00 41.96 42.19 2cub s TYR 14 CO -0.00 -1.09 0.43 -0.40 -1.52 0.00 0.00 175.55 172.97 2cub n ASP 15 N -1.41 -1.17 0.03 -0.18 5.75 0.64 -4.80 116.55 115.41 2cub n ASP 15 Ca 0.02 -1.09 -0.12 0.00 -0.01 0.00 0.00 54.79 53.58 2cub n ASP 15 Cb 0.62 -1.39 -0.09 0.00 -1.03 0.00 0.00 41.12 39.23 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2cub h LEU 16 N -0.87 -0.12 -0.24 -2.12 4.07 -1.61 -3.48 115.31 110.94 2cub h LEU 16 Ca -0.53 -0.43 -0.13 0.00 0.08 0.00 0.00 57.88 56.88 2cub h LEU 16 Cb 1.21 0.03 0.03 0.00 1.08 0.00 0.00 40.66 43.01 2cub h LEU 16 CO 0.75 0.41 -0.20 -3.20 -1.08 0.00 0.00 178.44 175.13 2cub n ASN 17 N -4.90 -3.07 -4.63 -0.43 5.15 0.37 -4.99 115.26 102.76 2cub n ASN 17 Ca -0.08 -0.11 -0.41 0.00 -0.60 0.00 0.00 54.58 53.38 2cub n ASN 17 Cb 0.27 -1.92 -0.06 0.00 -0.53 0.00 0.00 39.78 37.54 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cub s MET 18 N -5.01 4.12 -0.11 1.20 -1.94 -0.63 -4.75 119.30 112.19 2cub s MET 18 Ca 0.12 0.57 -0.29 0.00 -1.71 0.00 0.00 55.69 54.37 2cub s MET 18 Cb -0.05 -3.65 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2cub s MET 18 CO 0.14 -0.42 1.53 -1.25 -0.01 0.00 0.00 175.02 175.02 2cub s PRO 19 N 2.52 4.15 0.51 2.03 0.04 -1.26 -0.30 135.00 142.69 2cub s PRO 19 Ca 0.27 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.33 2cub s PRO 19 Cb -0.15 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2cub s PRO 19 CO 0.08 -0.85 0.32 0.00 0.04 0.00 0.00 177.00 176.59 2cub s ALA 20 N 4.00 4.24 -0.16 8.56 0.00 0.89 -4.00 121.76 135.29 2cub s ALA 20 Ca 0.67 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2cub s ALA 20 Cb -0.29 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.26 2cub s ALA 20 CO 0.25 -0.34 -0.04 -0.47 0.00 0.00 0.00 175.76 175.16 2cub s TYR 21 N -2.73 1.60 -0.56 0.00 5.04 0.22 -1.72 117.35 119.20 2cub s TYR 21 Ca 0.33 -1.02 -0.26 0.00 -2.44 0.00 0.00 57.07 53.68 2cub s TYR 21 Cb -0.01 -1.27 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 2cub s TYR 21 CO 0.20 -0.60 2.04 0.08 -1.34 0.00 0.00 175.55 175.93 2cub s VAL 22 N 1.67 3.24 0.18 3.14 1.01 -0.79 -0.70 120.40 128.14 2cub s VAL 22 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2cub s VAL 22 Cb -0.15 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 2cub s VAL 22 CO -0.08 -0.60 1.42 0.11 0.00 0.00 0.00 175.10 175.95 2cub h LYS 23 N 16.44 0.20 -4.64 2.72 1.57 0.79 -1.46 116.57 132.18 2cub h LYS 23 Ca -0.26 -0.19 -0.43 0.00 -1.87 0.00 0.00 60.65 57.90 2cub h LYS 23 Cb 1.20 0.05 -0.31 0.00 0.08 0.00 0.00 32.23 33.25 2cub h LYS 23 CO 1.19 0.91 -0.79 -0.06 -0.57 0.00 0.00 179.45 180.13 2cub s PHE 24 N -3.32 0.97 -0.15 -1.35 0.08 -0.76 -4.70 117.98 108.76 2cub s PHE 24 Ca -0.03 -0.24 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 2cub s PHE 24 Cb 0.11 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.83 2cub s PHE 24 CO 0.82 -0.09 1.64 0.54 -0.10 0.00 0.00 175.22 178.02 2cub s ASN 25 N 0.14 6.49 -0.10 1.36 2.20 -1.26 -4.29 114.94 119.48 2cub s ASN 25 Ca -0.02 1.88 -0.09 0.00 -0.94 0.00 0.00 52.86 53.68 2cub s ASN 25 Cb -0.08 -2.53 -0.04 0.00 -2.00 0.00 0.00 41.25 36.59 2cub s ASN 25 CO 0.00 -1.12 0.21 -0.47 -2.94 0.00 0.00 177.10 172.78 2cub s TYR 26 N 4.76 3.62 -0.36 1.54 6.14 0.17 -4.87 117.35 128.34 2cub s TYR 26 Ca 0.72 0.64 -0.07 0.00 0.64 0.00 0.00 57.07 59.01 2cub s TYR 26 Cb -0.28 -2.06 0.05 0.00 0.42 0.00 0.00 41.96 40.09 2cub s TYR 26 CO 0.29 0.67 0.15 -1.64 0.64 0.00 0.00 175.55 175.66 2cub s MET 27 N -0.90 2.57 0.31 4.97 -1.94 -1.26 -1.30 119.30 121.75 2cub s MET 27 Ca 0.17 -1.29 -0.09 0.00 -1.71 0.00 0.00 55.69 52.77 2cub s MET 27 Cb -0.13 -3.54 -0.06 0.00 2.01 0.00 0.00 34.83 33.10 2cub s MET 27 CO 0.06 -0.76 0.64 0.00 -0.01 0.00 0.00 175.02 174.95 2cub s ALA 28 N 1.39 3.49 0.00 3.03 0.00 -1.26 -4.97 121.76 123.44 2cub s ALA 28 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2cub s ALA 28 Cb -0.21 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2cub s ALA 28 CO 0.02 0.24 0.00 0.39 0.00 0.00 0.00 175.76 176.41 2cub n GLU 29 N -0.78 2.27 -4.10 0.00 1.02 -1.26 -4.88 120.64 112.90 2cub n GLU 29 Ca 0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2cub n GLU 29 Cb 0.53 -0.87 -0.07 0.00 -0.02 0.00 0.00 31.44 31.01 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 -1.62 3.10 0.36 3.49 0.52 -1.26 -5.00 118.95 118.55 2cub s ARG 30 Ca 0.00 -0.45 0.13 0.00 -0.52 0.00 0.00 55.73 54.90 2cub s ARG 30 Cb 0.00 -2.89 0.97 0.00 0.52 0.00 0.00 34.95 33.55 2cub s ARG 30 CO 0.00 0.66 1.77 1.05 0.02 0.00 0.00 175.30 178.80 2cub h GLU 31 N 4.22 0.51 0.00 3.54 -0.00 -1.98 0.58 114.58 121.45 2cub h GLU 31 Ca -0.50 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.36 58.77 2cub h GLU 31 Cb 1.19 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.81 2cub h GLU 31 CO 0.62 0.34 -0.30 0.22 -0.00 0.00 0.00 179.01 179.88 2cub h ASP 32 N 0.52 0.00 -3.58 3.06 3.58 -1.94 -3.43 116.42 114.63 2cub h ASP 32 Ca 0.60 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.53 2cub h ASP 32 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 2cub h ASP 32 CO -0.35 0.30 0.07 -1.61 -2.88 0.00 0.00 179.24 174.76 2cub s GLU 33 N -4.36 4.11 0.06 0.28 2.02 0.20 0.16 118.70 121.18 2cub s GLU 33 Ca -0.03 0.72 0.06 0.00 0.02 0.00 0.00 54.97 55.74 2cub s GLU 33 Cb 0.15 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2cub s GLU 33 CO 0.72 0.32 -0.13 -1.17 0.02 0.00 0.00 175.26 175.01 2cub s LEU 34 N -2.35 2.86 -0.42 1.80 2.96 -1.16 -4.57 118.68 117.80 2cub s LEU 34 Ca 0.46 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 2cub s LEU 34 Cb -0.14 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2cub s LEU 34 CO 0.20 0.23 0.50 -0.44 -1.32 0.00 0.00 176.35 175.52 2cub s SER 35 N -1.71 6.24 0.41 3.68 0.01 -1.26 -4.18 113.70 116.90 2cub s SER 35 Ca 0.17 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 2cub s SER 35 Cb -0.11 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 2cub s SER 35 CO 0.09 -0.62 0.74 -0.76 0.41 0.00 0.00 173.24 173.09 2cub s LEU 36 N 2.37 3.79 -0.12 2.44 1.43 -0.42 -4.86 118.68 123.30 2cub s LEU 36 Ca 0.16 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2cub s LEU 36 Cb -0.16 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.21 2cub s LEU 36 CO 0.15 -0.43 -0.13 -0.63 0.23 0.00 0.00 176.35 175.54 2cub s ILE 37 N -2.47 1.37 -0.22 -0.59 1.01 -1.26 -0.66 121.20 118.39 2cub s ILE 37 Ca 0.48 -0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 2cub s ILE 37 Cb -0.10 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2cub s ILE 37 CO 0.36 0.42 2.18 -0.75 0.00 0.00 0.00 174.94 177.15 2cub s LYS 38 N 1.36 3.17 0.00 2.79 2.20 -1.26 -2.51 119.74 125.49 2cub s LYS 38 Ca 0.01 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 2cub s LYS 38 Cb -0.13 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 2cub s LYS 38 CO -0.07 -2.07 0.00 0.41 -0.36 0.00 0.00 175.35 173.27 2cub n GLY 39 N 5.71 1.88 2.53 5.54 0.00 -0.55 -4.88 105.19 115.42 2cub n GLY 39 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.35 0.00 -4.66 2.61 -2.24 -1.04 -5.02 114.28 103.58 2cub n THR 40 Ca 0.00 -1.86 -0.23 0.00 -2.27 0.00 0.00 64.05 59.69 2cub n THR 40 Cb 0.00 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 68.89 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 -3.12 1.36 0.40 -0.78 2.20 -1.26 -1.89 119.74 116.65 2cub s LYS 41 Ca 0.24 -0.50 0.06 0.00 -0.36 0.00 0.00 55.97 55.42 2cub s LYS 41 Cb 0.01 -1.24 -0.07 0.00 -1.51 0.00 0.00 37.83 35.01 2cub s LYS 41 CO 0.17 0.23 0.02 0.14 -0.36 0.00 0.00 175.35 175.55 2cub s VAL 42 N -0.03 1.79 -0.27 4.02 -7.23 -0.70 -4.93 120.40 113.04 2cub s VAL 42 Ca -0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2cub s VAL 42 Cb -0.09 -2.92 0.06 0.00 0.56 0.00 0.00 36.38 33.98 2cub s VAL 42 CO 0.01 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.08 2cub s ILE 43 N -2.84 2.32 0.08 -0.62 -1.09 -0.96 -0.07 121.20 118.01 2cub s ILE 43 Ca 0.34 -1.60 -0.31 0.00 -2.23 0.00 0.00 60.65 56.86 2cub s ILE 43 Cb 0.09 -2.36 -0.06 0.00 -1.58 0.00 0.00 42.46 38.55 2cub s ILE 43 CO 0.17 -0.05 1.24 -0.69 -1.23 0.00 0.00 174.94 174.38 2cub s VAL 44 N 1.13 3.84 -0.04 2.92 1.01 0.59 -0.35 120.40 129.50 2cub s VAL 44 Ca -0.08 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2cub s VAL 44 Cb -0.20 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2cub s VAL 44 CO -0.04 0.11 -0.00 0.23 0.00 0.00 0.00 175.10 175.40 2cub n MET 45 N 3.84 2.53 -3.95 2.72 2.81 0.77 0.14 117.12 125.98 2cub n MET 45 Ca 0.09 0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.89 2cub n MET 45 Cb 0.45 -1.09 -0.12 0.00 -0.71 0.00 0.00 33.22 31.76 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 -2.08 0.23 -0.06 0.03 2.02 -0.24 0.23 118.70 118.83 2cub s GLU 46 Ca -0.03 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.53 2cub s GLU 46 Cb 0.01 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.34 2cub s GLU 46 CO 0.13 -0.04 -0.09 0.15 0.02 0.00 0.00 175.26 175.43 2cub s LYS 47 N -1.07 1.36 -0.24 1.61 1.02 -1.17 -0.42 119.74 120.83 2cub s LYS 47 Ca -0.12 -0.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 2cub s LYS 47 Cb -0.07 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 2cub s LYS 47 CO -0.01 -0.04 0.23 0.00 -0.92 0.00 0.00 175.35 174.61 2cub h SER 49 N 7.65 0.00 -0.66 0.00 4.64 -1.86 0.15 113.55 123.47 2cub h SER 49 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 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 0.65 0.00 0.39 -0.78 -0.87 0.00 0.00 176.83 176.22 2cub h ASP 50 N 0.00 0.81 0.00 4.97 3.58 -2.00 -3.46 116.42 120.31 2cub h ASP 50 Ca 0.30 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2cub h ASP 50 Cb 1.50 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2cub h ASP 50 CO -0.00 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.61 2cub n GLY 51 N -1.13 0.78 3.74 -0.78 0.00 0.53 -5.13 105.19 103.20 2cub n GLY 51 Ca 0.05 0.00 -0.41 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 3.80 0.38 1.61 0.52 -1.25 -3.59 118.94 120.42 2cub s TRP 52 Ca 0.00 1.69 0.08 0.00 0.02 0.00 0.00 56.10 57.89 2cub s TRP 52 Cb 0.00 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 2cub s TRP 52 CO 0.00 0.25 0.23 -1.58 0.02 0.00 0.00 176.95 175.88 2cub s TRP 53 N -0.13 2.70 -0.13 -1.98 0.52 0.65 -1.05 118.94 119.51 2cub s TRP 53 Ca 0.43 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.05 2cub s TRP 53 Cb -0.23 -1.90 0.05 0.00 -1.15 0.00 0.00 33.47 30.25 2cub s TRP 53 CO 0.28 0.15 0.07 0.50 0.02 0.00 0.00 176.95 177.97 2cub s ARG 54 N -3.96 0.14 0.00 4.98 3.52 0.44 0.07 118.95 124.14 2cub s ARG 54 Ca 0.42 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 2cub s ARG 54 Cb -0.01 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 2cub s ARG 54 CO 0.24 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2cub n GLY 55 N 5.25 5.35 3.25 8.12 0.00 -1.16 -0.16 105.19 125.83 2cub n GLY 55 Ca -0.06 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 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 0.16 2.13 -0.28 1.61 0.15 0.53 -2.97 113.70 115.03 2cub s SER 56 Ca 0.00 -0.76 -0.00 0.00 0.70 0.00 0.00 55.95 55.89 2cub s SER 56 Cb 0.00 -0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.39 2cub s SER 56 CO 0.00 -0.08 0.52 -0.47 1.20 0.00 0.00 173.24 174.41 2cub s TYR 57 N -1.80 -1.38 -1.03 3.44 5.04 0.04 -2.27 117.35 119.39 2cub s TYR 57 Ca 0.07 1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2cub s TYR 57 Cb -0.07 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.56 2cub s TYR 57 CO 0.04 -0.88 0.72 -1.71 -1.34 0.00 0.00 175.55 172.38 2cub n ASN 58 N 5.40 -5.08 0.00 4.32 2.85 -1.26 -2.02 115.26 119.47 2cub n ASN 58 Ca -0.01 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 2cub n ASN 58 Cb 0.51 -3.75 0.00 0.00 1.24 0.00 0.00 39.78 37.78 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cub n GLY 59 N -1.50 2.43 3.90 8.20 0.00 -1.26 -5.02 105.19 111.93 2cub n GLY 59 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 3.63 -0.05 1.61 -0.21 -0.86 -5.10 119.66 118.46 2cub s GLN 60 Ca 0.00 0.28 -0.05 0.00 0.02 0.00 0.00 55.36 55.61 2cub s GLN 60 Cb 0.00 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.63 2cub s GLN 60 CO 0.00 -0.13 0.15 0.08 -2.12 0.00 0.00 175.29 173.27 2cub s VAL 61 N -2.58 0.01 0.00 1.09 1.01 -1.26 -0.78 120.40 117.88 2cub s VAL 61 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2cub s VAL 61 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2cub s VAL 61 CO 0.40 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2cub n GLY 62 N 2.88 1.45 3.24 4.51 0.00 -1.16 -4.78 105.19 111.32 2cub n GLY 62 Ca -0.13 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.25 2.87 0.10 1.61 0.52 0.43 -3.00 118.94 118.22 2cub s TRP 63 Ca 0.00 -1.21 0.06 0.00 0.02 0.00 0.00 56.10 54.97 2cub s TRP 63 Cb 0.00 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2cub s TRP 63 CO 0.00 -0.63 -0.14 -0.59 0.02 0.00 0.00 176.95 175.61 2cub s PHE 64 N 1.31 1.32 -0.23 -1.98 -0.12 0.11 -2.99 117.98 115.40 2cub s PHE 64 Ca 0.04 -0.52 -0.29 0.00 -0.05 0.00 0.00 56.93 56.11 2cub s PHE 64 Cb -0.14 -0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 2cub s PHE 64 CO -0.06 0.10 1.62 -1.25 -0.05 0.00 0.00 175.22 175.58 2cub s PRO 65 N -2.29 3.76 0.56 1.99 0.04 -1.26 -0.26 135.00 137.54 2cub s PRO 65 Ca 0.04 1.62 0.28 0.00 0.04 0.00 0.00 61.00 62.99 2cub s PRO 65 Cb -0.07 -4.04 1.51 0.00 0.04 0.00 0.00 34.50 31.94 2cub s PRO 65 CO 0.03 -1.33 1.83 0.66 0.04 0.00 0.00 177.00 178.22 2cub h SER 66 N 10.84 0.00 0.34 6.66 4.64 -1.89 0.16 113.55 134.30 2cub h SER 66 Ca -0.33 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 2cub h SER 66 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2cub h SER 66 CO 1.01 0.00 -0.33 0.78 -0.87 0.00 0.00 176.83 177.42 2cub h ASN 67 N 0.00 0.00 1.17 4.97 4.21 -1.89 -2.54 115.58 121.50 2cub h ASN 67 Ca 0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 2cub h ASN 67 Cb 0.48 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 2cub h ASN 67 CO 0.00 0.33 -0.71 1.88 -1.29 0.00 0.00 177.43 177.64 2cub h TYR 68 N 0.00 0.00 -1.66 1.19 -1.99 -1.02 -3.46 116.97 110.03 2cub h TYR 68 Ca -0.00 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.22 2cub h TYR 68 Cb 0.59 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 2cub h TYR 68 CO 0.00 0.71 -0.42 0.14 -0.00 0.00 0.00 178.16 178.58 2cub s VAL 69 N -2.96 2.92 0.09 -2.88 -7.23 -0.96 0.13 120.40 109.52 2cub s VAL 69 Ca 0.02 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2cub s VAL 69 Cb 0.09 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2cub s VAL 69 CO 0.77 -0.07 0.04 0.28 -0.31 0.00 0.00 175.10 175.81 2cub s THR 70 N -2.43 0.16 -1.18 5.32 -1.32 0.12 -4.82 115.64 111.48 2cub s THR 70 Ca 0.44 -1.78 -0.10 0.00 -1.21 0.00 0.00 61.69 59.04 2cub s THR 70 Cb -0.03 -1.75 0.22 0.00 -1.51 0.00 0.00 72.50 69.43 2cub s THR 70 CO 0.27 -0.71 1.42 -0.62 -2.21 0.00 0.00 174.62 172.76 2cub n GLU 71 N -0.01 3.61 0.21 7.08 1.02 -1.26 0.73 120.64 132.01 2cub n GLU 71 Ca -0.10 -4.08 0.07 0.00 -0.02 0.00 0.00 57.16 53.03 2cub n GLU 71 Cb 0.62 -2.80 0.59 0.00 -0.02 0.00 0.00 31.44 29.83 2cub n GLU 71 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2cub h GLU 72 N 6.54 0.11 0.00 3.49 9.09 -1.89 -3.43 114.58 128.49 2cub h GLU 72 Ca 0.27 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.68 2cub h GLU 72 Cb 0.80 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2cub h GLU 72 CO 1.25 0.09 0.00 0.41 0.05 0.00 0.00 179.01 180.80 2cub n GLY 73 N -1.49 -1.94 3.62 1.06 0.00 -1.26 -4.53 105.19 100.66 2cub n GLY 73 Ca -0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.13 -2.26 -4.72 1.61 9.92 -1.26 -4.99 116.55 112.72 2cub n ASP 74 Ca 0.00 -0.81 -0.33 0.00 -0.53 0.00 0.00 54.79 53.12 2cub n ASP 74 Cb 0.00 -4.23 -0.08 0.00 -0.64 0.00 0.00 41.12 36.17 2cub n ASP 74 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2cub s SER 75 N -4.17 5.38 -0.15 -2.24 1.04 -1.26 -5.07 113.70 107.23 2cub s SER 75 Ca 0.10 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 2cub s SER 75 Cb -0.02 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2cub s SER 75 CO 0.80 0.31 1.56 -2.16 0.98 0.00 0.00 173.24 174.72 2cub s PRO 76 N -1.42 4.03 -0.61 4.02 0.04 -1.26 -4.96 135.00 134.84 2cub s PRO 76 Ca 0.19 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2cub s PRO 76 Cb -0.12 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.50 2cub s PRO 76 CO 0.09 -1.00 1.17 -0.51 0.04 0.00 0.00 177.00 176.78 2cub s LEU 77 N 4.40 3.52 -0.25 -3.56 1.43 -1.26 -4.99 118.68 117.97 2cub s LEU 77 Ca 0.69 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2cub s LEU 77 Cb -0.27 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.00 2cub s LEU 77 CO 0.26 -1.52 -0.04 -0.83 0.23 0.00 0.00 176.35 174.46 2cub s GLY 78 N 3.13 1.65 -1.08 -3.19 0.00 -1.26 -5.04 107.32 101.53 2cub s GLY 78 Ca 0.39 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.57 2cub s GLY 78 CO 0.22 0.53 1.11 0.99 0.00 0.00 0.00 173.10 175.95 2cub s ASP 79 N 1.37 7.18 -0.25 1.64 1.11 -1.26 -4.93 116.67 121.52 2cub s ASP 79 Ca 0.01 -3.31 -0.04 0.00 0.18 0.00 0.00 52.55 49.39 2cub s ASP 79 Cb -0.16 -2.25 0.13 0.00 1.07 0.00 0.00 42.92 41.71 2cub s ASP 79 CO -0.03 -0.43 0.47 -2.28 1.18 0.00 0.00 175.17 174.08 2cub s HIS 80 N -0.47 -1.05 0.08 4.23 2.46 -1.26 -5.16 115.29 114.12 2cub s HIS 80 Ca 0.31 1.40 0.07 0.00 0.47 0.00 0.00 55.06 57.30 2cub s HIS 80 Cb -0.09 0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 32.64 2cub s HIS 80 CO -0.07 -0.68 -0.11 0.14 -2.47 0.00 0.00 174.74 171.55 2cub s VAL 81 N 2.67 3.29 -0.76 0.89 -7.23 -1.26 -4.79 120.40 113.21 2cub s VAL 81 Ca 0.08 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2cub s VAL 81 Cb -0.14 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 2cub s VAL 81 CO -0.16 0.18 0.68 0.61 -0.31 0.00 0.00 175.10 176.09 2cub n GLY 82 N 0.93 -1.26 3.45 2.32 0.00 -1.26 -4.67 105.19 104.71 2cub n GLY 82 Ca -0.14 0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 2cub n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cub n SER 83 N -1.96 0.81 0.00 1.61 7.64 -1.26 -4.68 113.62 115.78 2cub n SER 83 Ca -0.07 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2cub n SER 83 Cb 0.54 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2cub n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cub n GLY 84 N 6.65 4.53 0.00 0.23 0.00 -1.26 -4.93 105.19 110.41 2cub n GLY 84 Ca 0.58 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2cub n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cub n PRO 85 N -1.71 0.49 -0.97 1.61 -0.04 -1.26 -4.85 135.00 128.27 2cub n PRO 85 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2cub n PRO 85 Cb 0.00 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 2cub n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cub n SER 86 N -0.89 0.51 -3.42 3.54 3.41 -1.26 -4.84 113.62 110.67 2cub n SER 86 Ca 0.09 0.45 -0.21 0.00 -0.26 0.00 0.00 58.87 58.95 2cub n SER 86 Cb 0.04 -0.68 0.20 0.00 -0.26 0.00 0.00 64.21 63.51 2cub n SER 86 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cub n SER 87 N 5.97 -3.45 0.00 4.04 2.88 -1.26 -5.17 113.62 116.63 2cub n SER 87 Ca 0.43 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2cub n SER 87 Cb -0.02 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42