#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 1.43 -0.31 1.61 0.01 -1.26 -5.07 113.70 110.11 2cub s SER 2 Ca 0.00 -1.44 0.10 0.00 1.31 0.00 0.00 55.95 55.92 2cub s SER 2 Cb 0.00 0.23 0.46 0.00 0.21 0.00 0.00 66.02 66.92 2cub s SER 2 CO 0.00 -0.78 1.15 -1.54 0.41 0.00 0.00 173.24 172.49 2cub n SER 3 N -0.64 4.14 0.00 2.44 3.41 -1.26 -5.07 113.62 116.64 2cub n SER 3 Ca -0.00 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2cub n SER 3 Cb 0.66 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2cub n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cub n GLY 4 N -0.63 -0.91 2.52 5.00 0.00 -1.26 -4.97 105.19 104.94 2cub n GLY 4 Ca 0.35 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.52 3.04 -4.27 1.61 3.41 -1.26 -4.99 113.62 110.65 2cub n SER 5 Ca 0.00 -3.00 -0.44 0.00 -0.26 0.00 0.00 58.87 55.17 2cub n SER 5 Cb 0.00 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 2cub n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cub s SER 6 N -3.51 6.45 -0.02 4.04 1.04 -1.26 -4.91 113.70 115.53 2cub s SER 6 Ca 0.37 -2.92 -0.22 0.00 0.48 0.00 0.00 55.95 53.66 2cub s SER 6 Cb 0.40 -2.11 -0.14 0.00 0.10 0.00 0.00 66.02 64.26 2cub s SER 6 CO -0.04 -0.46 0.99 1.23 0.98 0.00 0.00 173.24 175.94 2cub h GLY 7 N 7.35 -0.51 -4.45 7.32 0.00 -1.95 -3.44 103.07 107.39 2cub h GLY 7 Ca 0.10 0.19 -0.56 0.00 0.00 0.00 0.00 47.33 47.05 2cub h GLY 7 CO 0.78 -0.19 0.00 -0.35 0.00 0.00 0.00 176.54 176.79 2cub s ASP 8 N -5.03 7.09 -0.81 0.19 2.15 -1.26 -4.99 116.67 114.01 2cub s ASP 8 Ca -0.12 1.32 -0.25 0.00 0.43 0.00 0.00 52.55 53.92 2cub s ASP 8 Cb 0.01 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 2cub s ASP 8 CO 0.44 0.24 1.92 -2.16 -0.17 0.00 0.00 175.17 175.43 2cub s PRO 9 N -1.24 2.58 0.00 4.34 0.04 -1.26 -4.75 135.00 134.70 2cub s PRO 9 Ca 0.32 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2cub s PRO 9 Cb -0.20 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.49 2cub s PRO 9 CO 0.20 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.47 2cub n GLY 10 N 6.49 0.70 3.65 0.56 0.00 -1.26 -5.14 105.19 110.19 2cub n GLY 10 Ca 0.34 -2.31 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2cub n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cub n GLU 11 N -0.74 1.06 -4.00 1.61 0.28 -1.26 -5.01 120.64 112.57 2cub n GLU 11 Ca 0.00 -2.28 -0.10 0.00 -0.16 0.00 0.00 57.16 54.62 2cub n GLU 11 Cb 0.00 2.73 -0.08 0.00 1.43 0.00 0.00 31.44 35.52 2cub n GLU 11 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2cub s ARG 12 N -2.19 1.08 -0.15 3.44 1.81 -1.26 -5.12 118.95 116.56 2cub s ARG 12 Ca 0.18 -1.23 -0.04 0.00 -1.72 0.00 0.00 55.73 52.92 2cub s ARG 12 Cb -0.04 0.34 0.05 0.00 -0.45 0.00 0.00 34.95 34.85 2cub s ARG 12 CO 0.13 -0.37 0.07 -0.51 -0.68 0.00 0.00 175.30 173.94 2cub s LEU 13 N -2.98 0.45 0.31 2.53 1.43 -1.26 -5.14 118.68 114.01 2cub s LEU 13 Ca 0.18 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2cub s LEU 13 Cb 0.04 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 2cub s LEU 13 CO -0.00 -0.32 0.29 -0.72 0.23 0.00 0.00 176.35 175.83 2cub s TYR 14 N 2.09 1.50 -1.78 0.29 -0.85 -1.26 -2.94 117.35 114.40 2cub s TYR 14 Ca 0.02 -1.53 -0.20 0.00 -0.52 0.00 0.00 57.07 54.84 2cub s TYR 14 Cb -0.15 -0.56 0.19 0.00 0.38 0.00 0.00 41.96 41.82 2cub s TYR 14 CO -0.08 -0.88 0.66 -3.47 -1.52 0.00 0.00 175.55 170.27 2cub n ASP 15 N -1.26 -2.37 -0.03 -0.18 -0.08 0.35 -4.83 116.55 108.15 2cub n ASP 15 Ca 0.05 -1.14 -0.15 0.00 -1.51 0.00 0.00 54.79 52.05 2cub n ASP 15 Cb 0.63 -2.16 -0.11 0.00 2.34 0.00 0.00 41.12 41.82 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cub h LEU 16 N -1.22 0.20 0.29 -2.67 4.07 -1.67 -3.48 115.31 110.84 2cub h LEU 16 Ca -0.60 -0.74 -0.18 0.00 0.08 0.00 0.00 57.88 56.44 2cub h LEU 16 Cb 1.39 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 43.09 2cub h LEU 16 CO 0.83 0.92 -0.27 -3.20 -1.08 0.00 0.00 178.44 175.64 2cub n ASN 17 N -4.54 -3.54 -4.64 -0.43 2.85 0.48 -4.99 115.26 100.45 2cub n ASN 17 Ca -0.09 -0.11 -0.41 0.00 -0.11 0.00 0.00 54.58 53.85 2cub n ASN 17 Cb 0.47 -2.49 -0.05 0.00 1.24 0.00 0.00 39.78 38.95 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 -4.98 4.16 -0.13 1.20 -1.94 -0.44 -4.79 119.30 112.38 2cub s MET 18 Ca 0.12 0.71 -0.29 0.00 -1.71 0.00 0.00 55.69 54.52 2cub s MET 18 Cb -0.05 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 2cub s MET 18 CO 0.15 -0.42 1.55 -1.25 -0.01 0.00 0.00 175.02 175.05 2cub s PRO 19 N 2.50 4.06 0.38 2.03 0.04 -1.26 0.01 135.00 142.77 2cub s PRO 19 Ca 0.30 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.31 2cub s PRO 19 Cb -0.16 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2cub s PRO 19 CO 0.09 -0.96 0.33 0.00 0.04 0.00 0.00 177.00 176.49 2cub s ALA 20 N 4.30 3.94 -0.20 8.56 0.00 0.12 -2.53 121.76 135.95 2cub s ALA 20 Ca 0.69 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2cub s ALA 20 Cb -0.28 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 21.86 2cub s ALA 20 CO 0.26 -0.13 -0.09 -0.47 0.00 0.00 0.00 175.76 175.33 2cub s TYR 21 N -2.42 2.34 -0.53 0.00 5.04 0.13 -1.04 117.35 120.88 2cub s TYR 21 Ca 0.45 -1.58 -0.26 0.00 -2.44 0.00 0.00 57.07 53.23 2cub s TYR 21 Cb -0.04 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.64 2cub s TYR 21 CO 0.27 -0.74 2.12 0.08 -1.34 0.00 0.00 175.55 175.94 2cub s VAL 22 N 1.42 3.19 0.12 3.14 1.01 -0.84 -0.74 120.40 127.70 2cub s VAL 22 Ca -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2cub s VAL 22 Cb -0.17 -3.47 -0.20 0.00 0.00 0.00 0.00 36.38 32.54 2cub s VAL 22 CO -0.08 -0.44 1.28 0.11 0.00 0.00 0.00 175.10 175.97 2cub h LYS 23 N 16.98 0.33 -5.08 2.72 1.57 0.75 -2.36 116.57 131.48 2cub h LYS 23 Ca -0.26 -0.40 -0.48 0.00 -1.87 0.00 0.00 60.65 57.64 2cub h LYS 23 Cb 1.21 0.12 -0.30 0.00 0.08 0.00 0.00 32.23 33.35 2cub h LYS 23 CO 1.17 1.10 -0.81 -0.06 -0.57 0.00 0.00 179.45 180.28 2cub s PHE 24 N -3.12 1.25 0.02 -1.35 0.08 -0.63 -4.71 117.98 109.51 2cub s PHE 24 Ca -0.05 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2cub s PHE 24 Cb 0.09 -0.83 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 2cub s PHE 24 CO 0.86 -0.07 1.44 0.54 -0.10 0.00 0.00 175.22 177.89 2cub s ASN 25 N -0.11 6.81 0.06 1.36 4.22 -1.26 -4.40 114.94 121.62 2cub s ASN 25 Ca 0.01 2.19 0.02 0.00 -2.14 0.00 0.00 52.86 52.94 2cub s ASN 25 Cb -0.07 -2.56 -0.04 0.00 1.28 0.00 0.00 41.25 39.85 2cub s ASN 25 CO 0.00 -0.74 0.11 -0.47 -2.04 0.00 0.00 177.10 173.96 2cub s TYR 26 N 2.36 3.28 -0.33 1.54 6.14 -0.31 -4.91 117.35 125.12 2cub s TYR 26 Ca 0.65 0.14 -0.01 0.00 0.64 0.00 0.00 57.07 58.49 2cub s TYR 26 Cb -0.33 -1.67 0.07 0.00 0.42 0.00 0.00 41.96 40.45 2cub s TYR 26 CO 0.28 0.54 0.05 -1.64 0.64 0.00 0.00 175.55 175.42 2cub s MET 27 N -2.31 2.20 0.31 4.97 -1.94 -1.26 -2.68 119.30 118.58 2cub s MET 27 Ca 0.30 -1.48 -0.10 0.00 -1.71 0.00 0.00 55.69 52.70 2cub s MET 27 Cb -0.12 -3.27 -0.07 0.00 2.01 0.00 0.00 34.83 33.38 2cub s MET 27 CO 0.22 -0.77 0.64 0.00 -0.01 0.00 0.00 175.02 175.10 2cub s ALA 28 N 1.17 3.48 0.00 3.03 0.00 -1.26 -4.99 121.76 123.19 2cub s ALA 28 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2cub s ALA 28 Cb -0.20 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2cub s ALA 28 CO -0.03 0.28 0.00 0.39 0.00 0.00 0.00 175.76 176.40 2cub n GLU 29 N -0.67 2.53 -4.06 0.00 1.02 -1.26 -4.92 120.64 113.28 2cub n GLU 29 Ca 0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 2cub n GLU 29 Cb 0.53 -0.86 -0.07 0.00 -0.02 0.00 0.00 31.44 31.03 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 -1.64 3.19 0.47 3.49 0.52 -1.26 -4.99 118.95 118.74 2cub s ARG 30 Ca 0.00 -0.38 0.25 0.00 -0.52 0.00 0.00 55.73 55.08 2cub s ARG 30 Cb 0.00 -2.96 1.28 0.00 0.52 0.00 0.00 34.95 33.79 2cub s ARG 30 CO 0.00 0.69 1.85 1.05 0.02 0.00 0.00 175.30 178.91 2cub h GLU 31 N 4.37 0.21 0.00 3.54 4.11 -2.00 0.71 114.58 125.52 2cub h GLU 31 Ca -0.50 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 58.85 2cub h GLU 31 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2cub h GLU 31 CO 0.61 0.14 -0.28 -0.44 0.07 0.00 0.00 179.01 179.11 2cub h ASP 32 N 0.21 0.00 -3.34 3.06 3.32 -1.94 -3.44 116.42 114.29 2cub h ASP 32 Ca 0.48 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.98 2cub h ASP 32 Cb 1.52 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 2cub h ASP 32 CO -0.12 0.28 -0.11 -1.61 -1.72 0.00 0.00 179.24 175.96 2cub s GLU 33 N -3.89 3.89 -0.01 3.56 2.02 0.25 0.14 118.70 124.66 2cub s GLU 33 Ca -0.01 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.40 2cub s GLU 33 Cb 0.12 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2cub s GLU 33 CO 0.66 0.43 -0.12 -1.17 0.02 0.00 0.00 175.26 175.07 2cub s LEU 34 N -2.28 2.87 -0.38 1.80 2.96 -0.79 -4.56 118.68 118.30 2cub s LEU 34 Ca 0.41 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 53.87 2cub s LEU 34 Cb -0.13 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2cub s LEU 34 CO 0.20 0.30 0.70 -0.94 -1.32 0.00 0.00 176.35 175.29 2cub s SER 35 N -1.14 6.44 0.41 3.68 1.04 -1.26 -4.39 113.70 118.47 2cub s SER 35 Ca 0.14 0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 2cub s SER 35 Cb -0.11 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.61 2cub s SER 35 CO 0.04 -0.71 0.73 -0.76 0.98 0.00 0.00 173.24 173.52 2cub s LEU 36 N 2.92 3.81 -0.08 2.42 1.43 -1.09 -4.88 118.68 123.21 2cub s LEU 36 Ca 0.27 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2cub s LEU 36 Cb -0.14 -3.86 0.02 0.00 0.03 0.00 0.00 46.19 42.24 2cub s LEU 36 CO 0.17 -0.42 -0.08 -0.63 0.23 0.00 0.00 176.35 175.62 2cub s ILE 37 N -2.45 0.93 -0.19 -0.59 1.01 -1.26 -1.17 121.20 117.48 2cub s ILE 37 Ca 0.48 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2cub s ILE 37 Cb -0.10 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 2cub s ILE 37 CO 0.36 0.33 1.96 -0.75 0.00 0.00 0.00 174.94 176.84 2cub s LYS 38 N 1.14 3.49 0.00 2.79 2.20 -1.26 -2.50 119.74 125.60 2cub s LYS 38 Ca -0.06 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 2cub s LYS 38 Cb -0.14 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 2cub s LYS 38 CO -0.01 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 2cub n GLY 39 N 5.24 1.65 2.94 5.54 0.00 -0.89 -4.93 105.19 114.75 2cub n GLY 39 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.00 -4.28 2.61 -2.24 -1.04 -5.03 114.28 103.94 2cub n THR 40 Ca 0.00 -2.05 -0.20 0.00 -2.27 0.00 0.00 64.05 59.53 2cub n THR 40 Cb 0.00 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 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 -3.39 0.92 0.47 -0.78 2.20 -1.26 -1.99 119.74 115.91 2cub s LYS 41 Ca 0.14 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2cub s LYS 41 Cb 0.01 -0.87 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 2cub s LYS 41 CO 0.10 0.01 0.14 0.14 -0.36 0.00 0.00 175.35 175.38 2cub s VAL 42 N 0.55 1.73 -0.27 4.02 -7.23 -0.21 -4.92 120.40 114.06 2cub s VAL 42 Ca -0.08 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2cub s VAL 42 Cb -0.12 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.36 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 -2.75 2.20 -0.03 -0.62 -1.09 -1.05 0.12 121.20 117.98 2cub s ILE 43 Ca 0.26 -1.72 -0.30 0.00 -2.23 0.00 0.00 60.65 56.67 2cub s ILE 43 Cb 0.03 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2cub s ILE 43 CO 0.15 -0.10 1.20 -0.69 -1.23 0.00 0.00 174.94 174.27 2cub s VAL 44 N 1.08 4.22 -0.07 2.92 1.01 0.10 -0.96 120.40 128.69 2cub s VAL 44 Ca -0.07 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.52 2cub s VAL 44 Cb -0.20 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 2cub s VAL 44 CO -0.05 0.02 0.00 0.23 0.00 0.00 0.00 175.10 175.30 2cub n MET 45 N 4.97 2.32 -4.09 2.72 2.81 0.77 -0.38 117.12 126.23 2cub n MET 45 Ca 0.11 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.90 2cub n MET 45 Cb 0.46 -1.17 -0.11 0.00 -0.71 0.00 0.00 33.22 31.69 2cub n MET 45 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cub s GLU 46 N -2.16 0.62 -0.06 0.03 2.12 -0.44 0.13 118.70 118.93 2cub s GLU 46 Ca -0.05 -1.00 -0.03 0.00 0.36 0.00 0.00 54.97 54.25 2cub s GLU 46 Cb 0.02 -0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.32 2cub s GLU 46 CO 0.26 -0.01 0.12 0.15 -0.54 0.00 0.00 175.26 175.24 2cub s LYS 47 N -2.68 -0.00 -0.18 4.30 1.02 -1.15 -0.99 119.74 120.06 2cub s LYS 47 Ca -0.01 0.46 -0.13 0.00 0.02 0.00 0.00 55.97 56.31 2cub s LYS 47 Cb -0.02 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.91 2cub s LYS 47 CO -0.03 -0.29 0.27 0.00 -0.92 0.00 0.00 175.35 174.38 2cub n SER 49 N 3.83 -0.64 -0.27 0.00 3.41 -1.26 0.65 113.62 119.34 2cub n SER 49 Ca -0.12 1.50 0.10 0.00 -0.26 0.00 0.00 58.87 60.09 2cub n SER 49 Cb 0.52 -0.31 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 2cub n SER 49 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2cub n ASP 50 N -5.21 -0.13 0.00 4.04 5.68 -1.26 -4.75 116.55 114.92 2cub n ASP 50 Ca 0.07 1.32 0.00 0.00 -0.50 0.00 0.00 54.79 55.68 2cub n ASP 50 Cb 0.31 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cub n GLY 51 N -1.41 1.19 3.71 6.12 0.00 0.21 -5.12 105.19 109.89 2cub n GLY 51 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 2.84 0.18 1.61 0.52 -1.24 -3.57 118.94 119.28 2cub s TRP 52 Ca 0.00 0.44 0.07 0.00 0.02 0.00 0.00 56.10 56.62 2cub s TRP 52 Cb 0.00 -4.02 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 2cub s TRP 52 CO 0.00 -3.88 0.07 -1.58 0.02 0.00 0.00 176.95 171.58 2cub s TRP 53 N 1.50 2.98 -0.20 -1.98 0.52 0.44 -1.49 118.94 120.72 2cub s TRP 53 Ca 0.73 -0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.76 2cub s TRP 53 Cb -0.45 -1.42 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 2cub s TRP 53 CO 0.32 0.53 -0.09 0.50 0.02 0.00 0.00 176.95 178.23 2cub s ARG 54 N -3.15 1.89 0.10 4.98 3.52 -0.16 -0.09 118.95 126.04 2cub s ARG 54 Ca 0.30 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2cub s ARG 54 Cb -0.09 -2.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2cub s ARG 54 CO 0.21 -0.44 0.08 0.41 -0.81 0.00 0.00 175.30 174.75 2cub n GLY 55 N 4.72 3.70 3.60 8.12 0.00 -1.11 -0.16 105.19 124.05 2cub n GLY 55 Ca -0.14 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.90 2cub n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub s SER 56 N -1.71 4.14 -0.30 1.61 0.01 -0.14 -2.47 113.70 114.85 2cub s SER 56 Ca 0.12 -0.90 -0.06 0.00 1.31 0.00 0.00 55.95 56.41 2cub s SER 56 Cb 0.01 -0.57 0.17 0.00 0.21 0.00 0.00 66.02 65.84 2cub s SER 56 CO 0.08 -0.10 0.70 -0.47 0.41 0.00 0.00 173.24 173.86 2cub s TYR 57 N -2.46 -1.32 -1.69 2.43 6.14 0.83 -2.51 117.35 118.76 2cub s TYR 57 Ca 0.33 1.73 -0.02 0.00 0.64 0.00 0.00 57.07 59.74 2cub s TYR 57 Cb -0.03 0.58 0.00 0.00 0.42 0.00 0.00 41.96 42.94 2cub s TYR 57 CO 0.18 -0.70 0.27 0.09 0.64 0.00 0.00 175.55 176.04 2cub n ASN 58 N 5.40 -6.04 0.00 4.32 3.02 -1.26 -1.06 115.26 119.63 2cub n ASN 58 Ca -0.06 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2cub n ASN 58 Cb 0.51 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cub n GLY 59 N -1.25 2.38 3.90 7.41 0.00 -1.26 -5.04 105.19 111.33 2cub n GLY 59 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.62 3.38 -0.07 1.61 1.11 -0.23 -5.09 119.66 119.75 2cub s GLN 60 Ca 0.00 0.28 -0.04 0.00 0.01 0.00 0.00 55.36 55.61 2cub s GLN 60 Cb 0.00 -2.27 0.03 0.00 -1.01 0.00 0.00 33.01 29.76 2cub s GLN 60 CO 0.00 -0.44 0.18 0.08 0.01 0.00 0.00 175.29 175.12 2cub s VAL 61 N -2.92 -0.03 0.00 1.09 1.01 -1.26 -0.12 120.40 118.17 2cub s VAL 61 Ca 0.51 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2cub s VAL 61 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2cub s VAL 61 CO 0.47 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2cub n GLY 62 N 3.78 2.08 3.36 4.51 0.00 -1.03 -4.86 105.19 113.03 2cub n GLY 62 Ca -0.21 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.85 2.82 0.04 1.61 0.52 0.38 -2.76 118.94 117.70 2cub s TRP 63 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.43 2cub s TRP 63 Cb 0.00 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 2cub s TRP 63 CO 0.00 -0.26 -0.04 -0.59 0.02 0.00 0.00 176.95 176.08 2cub s PHE 64 N 0.47 0.46 -0.20 -1.98 -0.12 0.87 -1.89 117.98 115.60 2cub s PHE 64 Ca -0.09 -0.67 -0.29 0.00 -0.05 0.00 0.00 56.93 55.83 2cub s PHE 64 Cb -0.16 -0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 2cub s PHE 64 CO 0.04 -0.20 1.60 -1.25 -0.05 0.00 0.00 175.22 175.36 2cub s PRO 65 N -2.21 3.87 0.36 1.99 0.04 -1.26 -0.42 135.00 137.36 2cub s PRO 65 Ca -0.07 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2cub s PRO 65 Cb -0.05 -4.01 0.80 0.00 0.04 0.00 0.00 34.50 31.28 2cub s PRO 65 CO -0.03 -1.20 1.88 0.66 0.04 0.00 0.00 177.00 178.35 2cub h SER 66 N 10.42 0.66 -0.23 6.66 4.64 -1.89 0.36 113.55 134.16 2cub h SER 66 Ca -0.34 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.08 2cub h SER 66 Cb 1.15 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2cub h SER 66 CO 0.99 0.35 0.59 0.78 -0.87 0.00 0.00 176.83 178.67 2cub h ASN 67 N 0.71 0.00 0.72 4.97 4.21 -1.90 0.95 115.58 125.24 2cub h ASN 67 Ca 0.43 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.68 2cub h ASN 67 Cb 0.64 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.80 2cub h ASN 67 CO -0.19 0.00 -1.38 1.88 -1.29 0.00 0.00 177.43 176.45 2cub h TYR 68 N 0.00 0.00 -1.54 1.19 -1.99 -1.25 -3.47 116.97 109.91 2cub h TYR 68 Ca 0.11 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.34 2cub h TYR 68 Cb 1.29 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.98 2cub h TYR 68 CO 0.00 0.99 -0.39 0.14 -0.00 0.00 0.00 178.16 178.90 2cub s VAL 69 N -2.65 2.67 -0.03 -2.88 -7.23 0.33 0.13 120.40 110.73 2cub s VAL 69 Ca -0.02 -1.37 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2cub s VAL 69 Cb 0.09 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 34.03 2cub s VAL 69 CO 0.82 -0.01 0.08 0.28 -0.31 0.00 0.00 175.10 175.96 2cub s THR 70 N -2.47 -0.01 -0.61 5.32 -1.32 0.08 -4.81 115.64 111.82 2cub s THR 70 Ca 0.47 0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.72 2cub s THR 70 Cb -0.03 -0.12 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 2cub s THR 70 CO 0.27 0.01 2.10 -1.61 -2.21 0.00 0.00 174.62 173.19 2cub s GLU 71 N 0.19 2.36 -0.34 7.08 2.02 -1.26 0.20 118.70 128.95 2cub s GLU 71 Ca -0.01 0.81 -0.10 0.00 0.02 0.00 0.00 54.97 55.69 2cub s GLU 71 Cb -0.02 -4.55 0.02 0.00 0.10 0.00 0.00 34.13 29.68 2cub s GLU 71 CO -0.01 -3.11 0.17 -2.00 0.02 0.00 0.00 175.26 170.33 2cub s GLU 72 N 7.61 3.00 0.28 1.61 2.56 -1.05 -4.96 118.70 127.75 2cub s GLU 72 Ca 0.80 -0.95 -0.21 0.00 0.00 0.00 0.00 54.97 54.61 2cub s GLU 72 Cb -0.14 -3.62 0.02 0.00 2.00 0.00 0.00 34.13 32.40 2cub s GLU 72 CO 0.20 -0.58 0.73 0.20 -0.56 0.00 0.00 175.26 175.25 2cub s GLY 73 N 1.55 -0.07 0.07 -1.50 0.00 -1.26 -4.65 107.32 101.46 2cub s GLY 73 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 2cub s GLY 73 CO 0.06 -0.10 0.23 0.51 0.00 0.00 0.00 173.10 173.80 2cub s ASP 74 N -2.93 0.01 0.03 1.64 1.47 -1.26 -5.17 116.67 110.46 2cub s ASP 74 Ca 0.11 -0.43 0.06 0.00 1.18 0.00 0.00 52.55 53.47 2cub s ASP 74 Cb -0.06 0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 42.84 2cub s ASP 74 CO 0.07 -0.66 -0.18 -0.94 0.68 0.00 0.00 175.17 174.15 2cub s SER 75 N -2.42 2.08 -0.00 2.11 1.04 -1.26 -5.11 113.70 110.14 2cub s SER 75 Ca -0.01 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 2cub s SER 75 Cb 0.01 -0.17 -0.06 0.00 0.10 0.00 0.00 66.02 65.91 2cub s SER 75 CO -0.07 0.12 1.45 -2.16 0.98 0.00 0.00 173.24 173.56 2cub s PRO 76 N -1.05 4.26 -0.37 4.02 0.04 -1.26 -4.92 135.00 135.71 2cub s PRO 76 Ca 0.05 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 2cub s PRO 76 Cb -0.08 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 2cub s PRO 76 CO 0.01 -0.62 2.22 -0.51 0.04 0.00 0.00 177.00 178.14 2cub s LEU 77 N 2.60 3.42 0.40 -3.56 2.01 -1.26 -4.95 118.68 117.34 2cub s LEU 77 Ca 0.66 1.38 0.08 0.00 0.01 0.00 0.00 54.13 56.25 2cub s LEU 77 Cb -0.32 -3.04 -0.03 0.00 0.01 0.00 0.00 46.19 42.80 2cub s LEU 77 CO 0.27 -2.33 0.28 -0.83 1.01 0.00 0.00 176.35 174.75 2cub s GLY 78 N 9.58 2.17 -0.08 -3.19 0.00 -1.26 -5.06 107.32 109.47 2cub s GLY 78 Ca 0.94 -1.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 2cub s GLY 78 CO 0.30 -1.77 0.98 1.29 0.00 0.00 0.00 173.10 173.90 2cub h ASP 79 N 1.23 0.06 -6.20 1.64 2.03 -2.07 -3.47 116.42 109.64 2cub h ASP 79 Ca -0.42 -0.80 -0.46 0.00 -0.73 0.00 0.00 57.03 54.62 2cub h ASP 79 Cb 1.26 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2cub h ASP 79 CO 0.62 0.85 -0.75 1.57 -1.03 0.00 0.00 179.24 180.51 2cub n HIS 80 N -4.65 -2.38 -3.48 4.15 -0.00 -1.26 -4.96 115.22 102.64 2cub n HIS 80 Ca -0.10 0.92 -0.37 0.00 0.46 0.00 0.00 57.72 58.64 2cub n HIS 80 Cb 0.42 -4.21 -0.06 0.00 -0.12 0.00 0.00 29.99 26.02 2cub n HIS 80 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2cub s VAL 81 N -3.33 5.00 0.00 3.57 0.11 -1.26 -4.54 120.40 119.95 2cub s VAL 81 Ca 0.60 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2cub s VAL 81 Cb -0.29 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 2cub s VAL 81 CO 0.81 0.47 0.00 0.61 -3.33 0.00 0.00 175.10 173.66 2cub n GLY 82 N 1.49 2.41 1.75 6.54 0.00 -1.26 -4.86 105.19 111.26 2cub n GLY 82 Ca -0.11 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2cub n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cub n SER 83 N 0.12 5.72 -3.91 1.61 3.41 -1.26 -4.92 113.62 114.39 2cub n SER 83 Ca 0.00 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2cub n SER 83 Cb 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2cub n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cub n GLY 84 N 0.46 -3.13 0.18 5.00 0.00 -1.26 -4.88 105.19 101.55 2cub n GLY 84 Ca 0.24 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 2cub n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cub h PRO 85 N 0.00 0.14 -6.59 1.61 0.13 -1.97 -3.46 132.00 121.86 2cub h PRO 85 Ca 0.00 -0.08 -0.51 0.00 -0.87 0.00 0.00 66.00 64.55 2cub h PRO 85 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 2cub h PRO 85 CO 0.00 0.59 -0.77 0.43 -0.23 0.00 0.00 178.00 178.02 2cub n SER 86 N -3.97 -0.18 0.01 1.44 7.64 -1.26 -4.79 113.62 112.51 2cub n SER 86 Ca -0.02 -1.03 -0.10 0.00 1.01 0.00 0.00 58.87 58.73 2cub n SER 86 Cb 0.51 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2cub n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2cub h SER 87 N -1.04 -0.61 0.00 6.43 0.02 -2.03 -3.55 113.55 112.78 2cub h SER 87 Ca -0.52 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2cub h SER 87 Cb 1.14 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2cub h SER 87 CO 0.64 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.70