#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 4.43 -0.15 1.61 1.04 -1.26 -5.05 113.70 114.33 2cub s SER 2 Ca 0.00 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.06 2cub s SER 2 Cb 0.00 -0.97 -0.05 0.00 0.10 0.00 0.00 66.02 65.10 2cub s SER 2 CO 0.00 0.27 -0.31 -0.24 0.98 0.00 0.00 173.24 173.94 2cub n SER 3 N 1.52 1.85 0.00 7.02 2.88 -1.26 -5.09 113.62 120.55 2cub n SER 3 Ca -0.15 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2cub n SER 3 Cb 0.52 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2cub n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cub n GLY 4 N 1.69 0.91 2.90 0.46 0.00 -1.26 -5.11 105.19 104.77 2cub n GLY 4 Ca -0.13 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 4.30 -0.87 1.61 0.01 -1.26 -5.05 113.70 112.44 2cub s SER 5 Ca 0.00 -3.16 -0.25 0.00 1.31 0.00 0.00 55.95 53.85 2cub s SER 5 Cb 0.00 -1.55 0.03 0.00 0.21 0.00 0.00 66.02 64.71 2cub s SER 5 CO 0.00 -0.20 1.44 -0.94 0.41 0.00 0.00 173.24 173.95 2cub s SER 6 N -0.47 6.19 -0.08 2.44 1.04 -1.26 -4.84 113.70 116.73 2cub s SER 6 Ca 0.19 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 2cub s SER 6 Cb -0.21 -2.56 -0.24 0.00 0.10 0.00 0.00 66.02 63.12 2cub s SER 6 CO -0.04 -1.78 1.00 1.23 0.98 0.00 0.00 173.24 174.63 2cub h GLY 7 N 13.47 0.06 -4.16 7.32 0.00 -2.07 -3.46 103.07 114.23 2cub h GLY 7 Ca -0.03 -0.10 -0.66 0.00 0.00 0.00 0.00 47.33 46.54 2cub h GLY 7 CO 1.34 0.09 -0.74 0.99 0.00 0.00 0.00 176.54 178.22 2cub s ASP 8 N -6.09 4.36 0.43 0.19 1.01 -1.26 -5.02 116.67 110.29 2cub s ASP 8 Ca -0.17 -0.42 0.30 0.00 0.71 0.00 0.00 52.55 52.97 2cub s ASP 8 Cb -0.00 -0.81 1.24 0.00 1.01 0.00 0.00 42.92 44.35 2cub s ASP 8 CO 0.70 0.17 1.88 1.55 0.21 0.00 0.00 175.17 179.68 2cub h PRO 9 N 3.52 0.00 0.00 8.23 0.13 -2.03 -3.49 132.00 138.36 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cub h PRO 9 CO 0.52 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 2cub n GLY 10 N -0.02 0.71 3.69 1.56 0.00 -1.26 -4.99 105.19 104.87 2cub n GLY 10 Ca 0.01 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 2cub n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cub n GLU 11 N 0.00 2.41 -3.54 1.61 4.07 -1.26 -4.95 120.64 118.98 2cub n GLU 11 Ca 0.00 0.87 -0.41 0.00 -0.06 0.00 0.00 57.16 57.56 2cub n GLU 11 Cb 0.00 -2.69 -0.11 0.00 -0.06 0.00 0.00 31.44 28.58 2cub n GLU 11 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2cub s ARG 12 N 1.61 2.86 -0.27 5.31 0.52 -1.26 -5.00 118.95 122.71 2cub s ARG 12 Ca 0.80 -1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 54.86 2cub s ARG 12 Cb -0.61 -3.83 0.02 0.00 0.52 0.00 0.00 34.95 31.05 2cub s ARG 12 CO 0.38 -0.75 0.02 -0.51 0.02 0.00 0.00 175.30 174.46 2cub s LEU 13 N 1.59 3.56 0.00 2.53 1.02 -1.26 -5.08 118.68 121.04 2cub s LEU 13 Ca 0.03 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.43 2cub s LEU 13 Cb -0.20 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 2cub s LEU 13 CO 0.07 -0.16 0.27 0.00 0.02 0.00 0.00 176.35 176.56 2cub n TYR 14 N 4.78 -0.85 -4.44 0.29 0.18 -1.26 -3.02 117.16 112.84 2cub n TYR 14 Ca -0.15 -1.81 -0.38 0.00 1.88 0.00 0.00 57.90 57.43 2cub n TYR 14 Cb 0.48 0.30 -0.08 0.00 -0.38 0.00 0.00 39.34 39.65 2cub n TYR 14 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2cub n ASP 15 N -1.93 -0.97 -0.02 9.48 2.03 -0.33 -4.82 116.55 119.99 2cub n ASP 15 Ca 0.03 -1.24 -0.16 0.00 0.52 0.00 0.00 54.79 53.94 2cub n ASP 15 Cb 0.42 -1.71 -0.12 0.00 -0.72 0.00 0.00 41.12 38.99 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 -1.24 0.25 2.30 -2.67 3.38 -1.61 -3.48 115.31 112.25 2cub h LEU 16 Ca -0.62 -0.82 -0.37 0.00 0.09 0.00 0.00 57.88 56.16 2cub h LEU 16 Cb 1.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2cub h LEU 16 CO 0.82 1.04 -0.50 0.59 0.09 0.00 0.00 178.44 180.48 2cub n ASN 17 N -4.45 -5.32 -4.63 -0.43 4.13 0.27 -4.93 115.26 99.90 2cub n ASN 17 Ca -0.10 -0.05 -0.42 0.00 1.68 0.00 0.00 54.58 55.69 2cub n ASN 17 Cb 0.55 -4.41 -0.05 0.00 -1.54 0.00 0.00 39.78 34.33 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2cub s MET 18 N -5.25 4.13 -0.17 3.52 -1.94 -0.53 -4.75 119.30 114.31 2cub s MET 18 Ca 0.09 0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 54.61 2cub s MET 18 Cb -0.04 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 2cub s MET 18 CO 0.12 -0.54 1.57 -1.25 -0.01 0.00 0.00 175.02 174.90 2cub s PRO 19 N 2.84 3.96 0.37 2.03 0.04 -1.26 0.00 135.00 142.99 2cub s PRO 19 Ca 0.34 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.25 2cub s PRO 19 Cb -0.15 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2cub s PRO 19 CO 0.09 -1.09 0.27 0.00 0.04 0.00 0.00 177.00 176.31 2cub s ALA 20 N 4.65 3.81 -0.21 8.56 0.00 0.10 -2.04 121.76 136.63 2cub s ALA 20 Ca 0.69 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2cub s ALA 20 Cb -0.27 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 21.99 2cub s ALA 20 CO 0.27 -0.09 -0.07 -0.47 0.00 0.00 0.00 175.76 175.40 2cub s TYR 21 N -2.43 2.31 -0.53 0.00 5.04 0.18 -1.28 117.35 120.64 2cub s TYR 21 Ca 0.43 -1.61 -0.26 0.00 -2.44 0.00 0.00 57.07 53.19 2cub s TYR 21 Cb -0.03 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.67 2cub s TYR 21 CO 0.26 -0.74 2.13 0.08 -1.34 0.00 0.00 175.55 175.94 2cub s VAL 22 N 1.43 3.18 0.17 3.14 1.01 -0.85 -0.83 120.40 127.65 2cub s VAL 22 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2cub s VAL 22 Cb -0.17 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 2cub s VAL 22 CO -0.07 -0.44 1.47 0.11 0.00 0.00 0.00 175.10 176.17 2cub h LYS 23 N 17.13 0.00 -4.28 2.72 1.57 0.41 -2.28 116.57 131.84 2cub h LYS 23 Ca -0.26 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.14 2cub h LYS 23 Cb 1.22 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.21 2cub h LYS 23 CO 1.18 0.74 -0.77 -0.06 -0.57 0.00 0.00 179.45 179.97 2cub s PHE 24 N -3.19 0.69 -0.02 -1.35 0.08 -0.87 -4.76 117.98 108.56 2cub s PHE 24 Ca 0.00 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 2cub s PHE 24 Cb 0.11 -0.53 -0.06 0.00 -0.57 0.00 0.00 43.02 41.97 2cub s PHE 24 CO 0.78 -0.09 1.67 0.54 -0.10 0.00 0.00 175.22 178.01 2cub s ASN 25 N 0.34 6.65 -0.15 1.36 4.22 -1.26 -4.31 114.94 121.78 2cub s ASN 25 Ca -0.04 2.32 0.00 0.00 -2.14 0.00 0.00 52.86 53.00 2cub s ASN 25 Cb -0.08 -2.54 -0.01 0.00 1.28 0.00 0.00 41.25 39.90 2cub s ASN 25 CO 0.00 -0.92 -0.14 -0.47 -2.04 0.00 0.00 177.10 173.53 2cub s TYR 26 N 3.68 2.79 -0.19 1.54 6.14 0.66 -4.87 117.35 127.11 2cub s TYR 26 Ca 0.74 -0.93 -0.13 0.00 0.64 0.00 0.00 57.07 57.39 2cub s TYR 26 Cb -0.35 -1.88 -0.05 0.00 0.42 0.00 0.00 41.96 40.10 2cub s TYR 26 CO 0.31 -0.41 0.27 1.41 0.64 0.00 0.00 175.55 177.77 2cub s MET 27 N 0.72 4.21 0.26 4.97 -2.45 -1.26 0.16 119.30 125.90 2cub s MET 27 Ca -0.06 0.01 -0.14 0.00 -1.25 0.00 0.00 55.69 54.24 2cub s MET 27 Cb -0.15 -3.46 -0.08 0.00 1.25 0.00 0.00 34.83 32.38 2cub s MET 27 CO 0.01 0.18 0.66 0.00 1.05 0.00 0.00 175.02 176.92 2cub s ALA 28 N 0.68 3.43 -0.13 4.11 0.00 -1.26 -4.92 121.76 123.67 2cub s ALA 28 Ca 0.14 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2cub s ALA 28 Cb -0.13 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 2cub s ALA 28 CO 0.04 0.39 0.15 0.39 0.00 0.00 0.00 175.76 176.73 2cub n GLU 29 N 0.03 3.20 -4.27 0.00 1.02 -1.26 -4.93 120.64 114.43 2cub n GLU 29 Ca 0.01 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 2cub n GLU 29 Cb 0.52 -0.89 -0.12 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.81 1.09 0.41 3.49 0.52 -1.26 -5.03 118.95 116.36 2cub s ARG 30 Ca 0.00 -1.14 0.12 0.00 -0.52 0.00 0.00 55.73 54.19 2cub s ARG 30 Cb 0.03 -1.31 0.96 0.00 0.52 0.00 0.00 34.95 35.15 2cub s ARG 30 CO 0.19 0.30 1.97 1.49 0.02 0.00 0.00 175.30 179.27 2cub h GLU 31 N 4.07 0.48 0.00 3.54 4.81 -1.99 0.73 114.58 126.22 2cub h GLU 31 Ca -0.45 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2cub h GLU 31 Cb 1.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2cub h GLU 31 CO 0.40 0.32 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.27 2cub h ASP 32 N 0.50 0.00 -3.21 1.04 3.32 -1.96 -3.44 116.42 112.67 2cub h ASP 32 Ca 0.29 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.77 2cub h ASP 32 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2cub h ASP 32 CO -0.09 0.29 -0.23 -1.61 -1.72 0.00 0.00 179.24 175.88 2cub s GLU 33 N -4.09 3.73 0.12 3.56 8.01 0.25 -0.07 118.70 130.20 2cub s GLU 33 Ca -0.02 0.13 0.05 0.00 0.01 0.00 0.00 54.97 55.14 2cub s GLU 33 Cb 0.13 -2.87 -0.04 0.00 -4.31 0.00 0.00 34.13 27.05 2cub s GLU 33 CO 0.68 0.47 0.03 -1.17 0.01 0.00 0.00 175.26 175.28 2cub s LEU 34 N -2.36 3.53 -0.35 1.80 2.96 -1.11 -4.63 118.68 118.52 2cub s LEU 34 Ca 0.39 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 2cub s LEU 34 Cb -0.13 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 2cub s LEU 34 CO 0.21 0.14 0.39 -0.94 -1.32 0.00 0.00 176.35 174.83 2cub s SER 35 N -2.59 6.20 0.34 3.68 1.04 -1.26 -4.16 113.70 116.95 2cub s SER 35 Ca 0.27 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 2cub s SER 35 Cb -0.11 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.72 2cub s SER 35 CO 0.20 -0.38 0.72 -0.76 0.98 0.00 0.00 173.24 174.00 2cub s LEU 36 N 2.09 3.99 -0.14 2.42 1.43 0.42 -4.89 118.68 124.01 2cub s LEU 36 Ca 0.13 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2cub s LEU 36 Cb -0.16 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.09 2cub s LEU 36 CO 0.12 -0.26 -0.11 -0.63 0.23 0.00 0.00 176.35 175.70 2cub s ILE 37 N -2.10 1.37 -0.11 -0.59 1.01 -1.26 -0.25 121.20 119.27 2cub s ILE 37 Ca 0.52 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 2cub s ILE 37 Cb -0.10 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 2cub s ILE 37 CO 0.23 0.41 2.09 1.17 0.00 0.00 0.00 174.94 178.84 2cub n LYS 38 N 4.83 2.31 0.00 2.79 4.81 -1.26 -2.20 118.16 129.44 2cub n LYS 38 Ca -0.15 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2cub n LYS 38 Cb 0.50 -3.05 0.00 0.00 0.02 0.00 0.00 35.03 32.50 2cub n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cub n GLY 39 N 5.19 1.51 3.51 3.14 0.00 -0.86 -4.88 105.19 112.80 2cub n GLY 39 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2cub n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cub s THR 40 N -2.00 0.66 -0.02 2.61 -4.23 -0.93 -5.03 115.64 106.69 2cub s THR 40 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2cub s THR 40 Cb 0.00 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 2cub s THR 40 CO 0.00 0.00 -0.19 -0.75 -0.54 0.00 0.00 174.62 173.14 2cub s LYS 41 N -3.74 1.57 0.38 3.99 2.20 -1.26 -2.00 119.74 120.87 2cub s LYS 41 Ca 0.25 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 2cub s LYS 41 Cb 0.03 -1.49 -0.07 0.00 -1.51 0.00 0.00 37.83 34.79 2cub s LYS 41 CO 0.14 0.39 0.03 0.14 -0.36 0.00 0.00 175.35 175.70 2cub s VAL 42 N -0.38 1.57 -0.30 4.02 -7.23 -0.40 -4.94 120.40 112.73 2cub s VAL 42 Ca 0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2cub s VAL 42 Cb -0.08 -2.86 0.08 0.00 0.56 0.00 0.00 36.38 34.08 2cub s VAL 42 CO -0.00 0.00 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.13 2cub s ILE 43 N -2.99 2.30 0.05 -0.62 -1.09 -1.12 0.01 121.20 117.74 2cub s ILE 43 Ca 0.34 -1.94 -0.31 0.00 -2.23 0.00 0.00 60.65 56.52 2cub s ILE 43 Cb 0.09 -2.51 -0.07 0.00 -1.58 0.00 0.00 42.46 38.39 2cub s ILE 43 CO 0.16 -0.30 1.45 -0.69 -1.23 0.00 0.00 174.94 174.33 2cub s VAL 44 N 1.03 3.44 -0.11 2.92 1.01 0.10 -1.29 120.40 127.49 2cub s VAL 44 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2cub s VAL 44 Cb -0.20 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2cub s VAL 44 CO -0.06 0.02 -0.06 0.23 0.00 0.00 0.00 175.10 175.23 2cub n MET 45 N 4.92 1.01 -4.08 2.72 2.81 0.11 0.98 117.12 125.59 2cub n MET 45 Ca 0.13 0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 2cub n MET 45 Cb 0.43 -1.23 -0.11 0.00 -0.71 0.00 0.00 33.22 31.60 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 -2.23 0.57 0.04 0.03 2.02 0.30 -1.19 118.70 118.24 2cub s GLU 46 Ca -0.12 -0.96 0.03 0.00 0.02 0.00 0.00 54.97 53.94 2cub s GLU 46 Cb 0.04 -0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 2cub s GLU 46 CO 0.30 -0.02 -0.10 0.15 0.02 0.00 0.00 175.26 175.61 2cub s LYS 47 N -2.60 0.66 0.33 1.61 1.02 -1.17 0.51 119.74 120.10 2cub s LYS 47 Ca -0.02 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.35 2cub s LYS 47 Cb -0.02 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 2cub s LYS 47 CO -0.03 0.13 0.18 0.00 -0.92 0.00 0.00 175.35 174.70 2cub h SER 49 N 1.48 -0.16 -0.82 0.00 0.87 -1.94 -3.33 113.55 109.64 2cub h SER 49 Ca -0.44 0.01 0.23 0.00 -1.23 0.00 0.00 61.79 60.35 2cub h SER 49 Cb 1.25 0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 63.10 2cub h SER 49 CO 0.61 0.15 0.03 -0.67 -0.53 0.00 0.00 176.83 176.43 2cub n ASP 50 N -4.00 -0.08 0.00 6.23 2.03 -1.26 -4.64 116.55 114.83 2cub n ASP 50 Ca -0.02 1.39 0.00 0.00 0.52 0.00 0.00 54.79 56.68 2cub n ASP 50 Cb 0.07 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cub n GLY 51 N -1.41 0.00 3.22 0.27 0.00 -1.25 -5.15 105.19 100.87 2cub n GLY 51 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 2.56 0.36 1.61 0.52 -1.26 -4.15 118.94 118.58 2cub s TRP 52 Ca 0.00 -1.05 0.08 0.00 0.02 0.00 0.00 56.10 55.14 2cub s TRP 52 Cb 0.00 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.59 2cub s TRP 52 CO 0.00 -0.42 0.33 -1.58 0.02 0.00 0.00 176.95 175.30 2cub s TRP 53 N 0.35 2.84 -0.21 -1.98 0.52 -0.36 0.13 118.94 120.23 2cub s TRP 53 Ca -0.19 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 55.52 2cub s TRP 53 Cb -0.18 -1.94 0.07 0.00 -1.15 0.00 0.00 33.47 30.28 2cub s TRP 53 CO 0.09 0.07 0.12 0.50 0.02 0.00 0.00 176.95 177.74 2cub s ARG 54 N -4.05 0.11 0.00 4.98 3.52 0.18 -0.24 118.95 123.46 2cub s ARG 54 Ca 0.44 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2cub s ARG 54 Cb -0.05 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 2cub s ARG 54 CO 0.27 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 2cub n GLY 55 N 5.28 6.52 3.30 8.12 0.00 -1.10 0.04 105.19 127.34 2cub n GLY 55 Ca -0.06 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 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 0.75 2.21 -0.30 1.61 0.15 -0.41 -2.62 113.70 115.08 2cub s SER 56 Ca 0.00 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.68 2cub s SER 56 Cb 0.00 -0.08 0.19 0.00 -1.71 0.00 0.00 66.02 64.42 2cub s SER 56 CO 0.00 -0.22 0.59 -0.47 1.20 0.00 0.00 173.24 174.34 2cub s TYR 57 N -2.97 -1.70 -1.01 3.44 6.14 0.10 -2.79 117.35 118.56 2cub s TYR 57 Ca 0.18 1.44 -0.04 0.00 0.64 0.00 0.00 57.07 59.29 2cub s TYR 57 Cb -0.00 0.45 0.00 0.00 0.42 0.00 0.00 41.96 42.84 2cub s TYR 57 CO 0.04 -0.97 0.53 -1.71 0.64 0.00 0.00 175.55 174.09 2cub n ASN 58 N 5.42 -4.75 0.00 4.32 5.15 -1.26 -2.20 115.26 121.95 2cub n ASN 58 Ca 0.01 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2cub n ASN 58 Cb 0.52 -3.53 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 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 -1.35 2.55 3.90 8.20 0.00 -1.26 -5.03 105.19 112.20 2cub n GLY 59 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.44 3.38 -0.09 1.61 1.11 -0.93 -5.09 119.66 119.21 2cub s GLN 60 Ca 0.00 0.35 -0.06 0.00 0.01 0.00 0.00 55.36 55.66 2cub s GLN 60 Cb 0.00 -2.23 0.03 0.00 -1.01 0.00 0.00 33.01 29.80 2cub s GLN 60 CO 0.00 -0.49 0.22 0.08 0.01 0.00 0.00 175.29 175.11 2cub s VAL 61 N -2.98 -0.02 0.07 1.09 1.01 -1.26 -0.72 120.40 117.59 2cub s VAL 61 Ca 0.52 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 2cub s VAL 61 Cb -0.11 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.05 2cub s VAL 61 CO 0.48 0.02 1.15 -0.83 0.00 0.00 0.00 175.10 175.93 2cub s GLY 62 N 0.54 -0.22 -0.18 4.51 0.00 -1.08 -4.74 107.32 106.15 2cub s GLY 62 Ca -0.04 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.75 2cub s GLY 62 CO -0.03 1.25 0.52 -0.98 0.00 0.00 0.00 173.10 173.86 2cub s TRP 63 N -2.57 3.40 0.08 1.90 0.52 0.90 -2.71 118.94 120.46 2cub s TRP 63 Ca 0.17 0.81 0.03 0.00 0.02 0.00 0.00 56.10 57.14 2cub s TRP 63 Cb 0.01 -2.65 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2cub s TRP 63 CO 0.00 -0.05 -0.10 -0.59 0.02 0.00 0.00 176.95 176.23 2cub s PHE 64 N 1.42 0.99 -0.20 -1.98 -0.12 0.67 -2.73 117.98 116.04 2cub s PHE 64 Ca 0.25 -0.60 -0.29 0.00 -0.05 0.00 0.00 56.93 56.24 2cub s PHE 64 Cb -0.15 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.65 2cub s PHE 64 CO 0.10 -0.02 1.59 -1.25 -0.05 0.00 0.00 175.22 175.60 2cub s PRO 65 N -2.39 3.88 0.36 1.99 0.04 -1.26 -1.22 135.00 136.39 2cub s PRO 65 Ca 0.01 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.83 2cub s PRO 65 Cb -0.05 -4.01 0.73 0.00 0.04 0.00 0.00 34.50 31.20 2cub s PRO 65 CO 0.00 -1.19 1.97 1.03 0.04 0.00 0.00 177.00 178.85 2cub h SER 66 N 10.39 0.67 -0.24 6.66 0.87 -1.89 -1.05 113.55 128.96 2cub h SER 66 Ca -0.34 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2cub h SER 66 Cb 1.15 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2cub h SER 66 CO 0.99 0.44 0.61 0.78 -0.53 0.00 0.00 176.83 179.13 2cub h ASN 67 N 0.77 0.00 0.68 6.23 4.21 -1.90 1.01 115.58 126.58 2cub h ASN 67 Ca 0.30 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.56 2cub h ASN 67 Cb 0.19 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 2cub h ASN 67 CO -0.09 0.00 -1.45 1.88 -1.29 0.00 0.00 177.43 176.47 2cub h TYR 68 N 0.00 0.00 -1.72 1.19 -1.99 -1.53 -3.48 116.97 109.44 2cub h TYR 68 Ca 0.11 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.33 2cub h TYR 68 Cb 1.33 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.01 2cub h TYR 68 CO 0.00 0.93 -0.44 0.14 -0.00 0.00 0.00 178.16 178.78 2cub s VAL 69 N -2.68 3.05 0.00 -2.88 -7.23 0.35 0.11 120.40 111.12 2cub s VAL 69 Ca -0.03 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2cub s VAL 69 Cb 0.09 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 2cub s VAL 69 CO 0.82 -0.10 -0.03 0.28 -0.31 0.00 0.00 175.10 175.76 2cub s THR 70 N -2.41 0.21 -0.65 5.32 -1.32 -0.01 -4.84 115.64 111.95 2cub s THR 70 Ca 0.43 -0.25 -0.26 0.00 -1.21 0.00 0.00 61.69 60.39 2cub s THR 70 Cb -0.04 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2cub s THR 70 CO 0.26 -0.03 2.02 -1.61 -2.21 0.00 0.00 174.62 173.05 2cub s GLU 71 N -0.30 2.45 -0.31 7.08 2.02 -1.26 0.47 118.70 128.84 2cub s GLU 71 Ca -0.01 0.61 -0.29 0.00 0.02 0.00 0.00 54.97 55.30 2cub s GLU 71 Cb -0.02 -4.56 -0.01 0.00 0.10 0.00 0.00 34.13 29.63 2cub s GLU 71 CO -0.00 -3.05 1.57 -2.00 0.02 0.00 0.00 175.26 171.80 2cub s GLU 72 N 7.39 3.63 -0.37 1.61 -6.30 -0.87 -4.96 118.70 118.84 2cub s GLU 72 Ca 0.75 1.36 0.01 0.00 -2.50 0.00 0.00 54.97 54.59 2cub s GLU 72 Cb -0.12 -4.06 0.12 0.00 0.00 0.00 0.00 34.13 30.07 2cub s GLU 72 CO 0.17 -1.49 0.16 0.20 0.02 0.00 0.00 175.26 174.33 2cub s GLY 73 N 4.46 1.42 -0.38 -1.50 0.00 -1.26 -4.78 107.32 105.28 2cub s GLY 73 Ca 0.69 -2.18 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 2cub s GLY 73 CO 0.31 1.53 0.15 -0.35 0.00 0.00 0.00 173.10 174.73 2cub s ASP 74 N 0.96 5.07 0.10 1.64 2.15 -1.26 -5.09 116.67 120.23 2cub s ASP 74 Ca 0.14 -2.09 -0.13 0.00 0.43 0.00 0.00 52.55 50.90 2cub s ASP 74 Cb -0.21 -1.75 -0.06 0.00 -0.30 0.00 0.00 42.92 40.59 2cub s ASP 74 CO -0.11 -0.48 0.48 -0.94 -0.17 0.00 0.00 175.17 173.94 2cub s SER 75 N 1.47 6.76 -0.11 -0.34 1.04 -1.26 -5.04 113.70 116.23 2cub s SER 75 Ca 0.09 0.96 -0.29 0.00 0.48 0.00 0.00 55.95 57.19 2cub s SER 75 Cb -0.21 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 2cub s SER 75 CO -0.06 0.16 1.53 -2.16 0.98 0.00 0.00 173.24 173.70 2cub s PRO 76 N -1.79 4.14 0.48 4.02 0.04 -1.26 -5.00 135.00 135.63 2cub s PRO 76 Ca 0.34 1.96 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 2cub s PRO 76 Cb -0.15 -3.93 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 2cub s PRO 76 CO 0.18 -0.87 1.00 -0.48 0.04 0.00 0.00 177.00 176.87 2cub s LEU 77 N 4.05 3.81 0.00 -3.56 -0.00 -1.26 -4.75 118.68 116.97 2cub s LEU 77 Ca 0.68 1.78 0.00 0.00 -0.00 0.00 0.00 54.13 56.59 2cub s LEU 77 Cb -0.29 -4.54 0.00 0.00 -0.00 0.00 0.00 46.19 41.36 2cub s LEU 77 CO 0.25 -0.65 0.00 0.61 -0.00 0.00 0.00 176.35 176.56 2cub n GLY 78 N -0.67 0.77 3.39 -3.48 0.00 -1.26 -5.08 105.19 98.86 2cub n GLY 78 Ca 0.08 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2cub n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cub n ASP 79 N 0.00 -2.04 -4.91 1.61 2.03 -1.26 -4.97 116.55 107.01 2cub n ASP 79 Ca 0.00 0.54 -0.27 0.00 0.52 0.00 0.00 54.79 55.57 2cub n ASP 79 Cb 0.00 -1.13 0.04 0.00 -0.72 0.00 0.00 41.12 39.32 2cub n ASP 79 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2cub s HIS 80 N -1.97 3.22 -0.31 -0.67 2.46 -1.26 -5.07 115.29 111.69 2cub s HIS 80 Ca 0.61 0.72 -0.01 0.00 0.47 0.00 0.00 55.06 56.85 2cub s HIS 80 Cb -0.34 -2.90 0.06 0.00 -0.13 0.00 0.00 32.58 29.27 2cub s HIS 80 CO 0.62 -1.02 0.02 0.08 -2.47 0.00 0.00 174.74 171.98 2cub s VAL 81 N -3.13 2.96 0.00 0.89 1.01 -1.26 -4.66 120.40 116.21 2cub s VAL 81 Ca 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2cub s VAL 81 Cb -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2cub s VAL 81 CO 0.47 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2cub n GLY 82 N 4.60 0.98 3.78 4.51 0.00 -1.26 -5.12 105.19 112.67 2cub n GLY 82 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2cub n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 83 N -1.28 6.23 0.00 1.61 0.01 -1.26 -4.71 113.70 114.29 2cub s SER 83 Ca 0.00 3.06 0.00 0.00 1.31 0.00 0.00 55.95 60.32 2cub s SER 83 Cb 0.00 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2cub s SER 83 CO 0.00 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2cub n GLY 84 N 0.46 -1.33 3.74 3.44 0.00 -1.26 -4.91 105.19 105.33 2cub n GLY 84 Ca 0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 1.79 -0.37 1.61 0.04 -1.26 -5.00 135.00 131.80 2cub s PRO 85 Ca 0.00 1.01 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2cub s PRO 85 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2cub s PRO 85 CO 0.00 -1.93 0.60 0.45 0.04 0.00 0.00 177.00 176.17 2cub s SER 86 N -3.41 6.37 0.30 6.66 0.15 -1.26 -5.03 113.70 117.49 2cub s SER 86 Ca 0.62 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 2cub s SER 86 Cb -0.18 -2.31 -0.12 0.00 -1.71 0.00 0.00 66.02 61.70 2cub s SER 86 CO 0.56 -0.61 1.45 -0.24 1.20 0.00 0.00 173.24 175.61 2cub n SER 87 N 6.01 3.28 0.00 5.45 2.88 -1.26 -5.26 113.62 124.72 2cub n SER 87 Ca -0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2cub n SER 87 Cb 0.48 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42