#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 6.66 -0.23 1.61 0.01 -1.26 -5.00 113.70 115.49 2cub s SER 2 Ca 0.00 -2.14 -0.27 0.00 1.31 0.00 0.00 55.95 54.85 2cub s SER 2 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2cub s SER 2 CO 0.00 -1.02 0.95 -0.55 0.41 0.00 0.00 173.24 173.03 2cub s SER 3 N 3.50 6.99 -1.59 2.44 0.15 -1.26 -3.92 113.70 120.01 2cub s SER 3 Ca 0.33 1.23 -0.13 0.00 0.70 0.00 0.00 55.95 58.08 2cub s SER 3 Cb -0.05 -2.50 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 2cub s SER 3 CO -0.09 -0.60 0.73 0.61 1.20 0.00 0.00 173.24 175.09 2cub n GLY 4 N 3.50 -0.39 3.71 9.45 0.00 -1.26 -4.88 105.19 115.31 2cub n GLY 4 Ca 0.09 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.59 7.09 -0.35 1.61 0.01 -1.25 -4.93 113.70 112.28 2cub s SER 5 Ca 0.53 1.95 -0.27 0.00 1.31 0.00 0.00 55.95 59.46 2cub s SER 5 Cb -0.28 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.32 2cub s SER 5 CO 0.90 -0.49 2.32 -1.20 0.41 0.00 0.00 173.24 175.18 2cub n SER 6 N 4.27 2.81 0.00 2.44 7.64 -1.26 -4.29 113.62 125.23 2cub n SER 6 Ca 0.09 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2cub n SER 6 Cb 0.47 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2cub n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cub n GLY 7 N 5.89 -0.43 3.45 0.23 0.00 -1.26 -5.15 105.19 107.92 2cub n GLY 7 Ca 0.33 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.76 3.54 0.95 1.61 1.01 -1.26 -5.14 116.67 115.62 2cub s ASP 8 Ca 0.00 -0.92 -0.12 0.00 0.71 0.00 0.00 52.55 52.22 2cub s ASP 8 Cb 0.00 -0.30 0.16 0.00 1.01 0.00 0.00 42.92 43.79 2cub s ASP 8 CO 0.00 0.09 1.09 -2.16 0.21 0.00 0.00 175.17 174.40 2cub s PRO 9 N -3.04 0.82 -0.50 8.23 0.04 -1.26 -5.03 135.00 134.26 2cub s PRO 9 Ca 0.25 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.02 2cub s PRO 9 Cb -0.07 -1.77 0.26 0.00 0.04 0.00 0.00 34.50 32.97 2cub s PRO 9 CO 0.12 -2.50 0.66 0.41 0.04 0.00 0.00 177.00 175.73 2cub n GLY 10 N -1.11 3.91 3.05 0.56 0.00 -1.26 -5.04 105.19 105.30 2cub n GLY 10 Ca 0.06 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.97 1.81 0.16 1.61 2.12 -1.26 -5.10 118.70 116.08 2cub s GLU 11 Ca 0.38 -1.68 0.11 0.00 0.36 0.00 0.00 54.97 54.15 2cub s GLU 11 Cb 0.18 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2cub s GLU 11 CO -0.07 -0.82 -0.25 -0.98 -0.54 0.00 0.00 175.26 172.60 2cub s ARG 12 N 1.00 1.45 -0.21 4.30 3.03 -1.26 -4.99 118.95 122.27 2cub s ARG 12 Ca 0.04 -1.44 -0.04 0.00 2.03 0.00 0.00 55.73 56.32 2cub s ARG 12 Cb -0.20 -1.84 0.11 0.00 -1.03 0.00 0.00 34.95 31.99 2cub s ARG 12 CO -0.06 0.41 0.31 -0.51 -1.13 0.00 0.00 175.30 174.32 2cub s LEU 13 N -2.39 -0.40 0.34 -1.89 1.43 -1.26 -5.12 118.68 109.39 2cub s LEU 13 Ca 0.17 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 2cub s LEU 13 Cb -0.09 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 46.91 2cub s LEU 13 CO 0.08 -0.29 0.19 -0.72 0.23 0.00 0.00 176.35 175.83 2cub s TYR 14 N 2.45 1.69 -1.73 0.29 -0.85 -1.26 -2.34 117.35 115.60 2cub s TYR 14 Ca 0.08 -1.44 -0.17 0.00 -0.52 0.00 0.00 57.07 55.01 2cub s TYR 14 Cb -0.15 -0.89 0.16 0.00 0.38 0.00 0.00 41.96 41.47 2cub s TYR 14 CO -0.13 -0.57 0.61 -0.25 -1.52 0.00 0.00 175.55 173.69 2cub n ASP 15 N -1.21 -2.12 -0.02 -0.18 9.92 0.62 -4.84 116.55 118.71 2cub n ASP 15 Ca 0.01 -1.12 -0.15 0.00 -0.53 0.00 0.00 54.79 52.99 2cub n ASP 15 Cb 0.64 -2.25 -0.11 0.00 -0.64 0.00 0.00 41.12 38.77 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2cub h LEU 16 N -1.33 0.29 0.05 0.64 4.07 -1.42 -3.48 115.31 114.13 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 -0.09 0.03 0.00 1.08 0.00 0.00 40.66 43.07 2cub h LEU 16 CO 0.81 0.99 -0.27 -3.20 -1.08 0.00 0.00 178.44 175.68 2cub n ASN 17 N -4.46 -3.61 -4.63 -0.43 2.85 0.17 -4.98 115.26 100.16 2cub n ASN 17 Ca -0.09 -0.14 -0.41 0.00 -0.11 0.00 0.00 54.58 53.83 2cub n ASN 17 Cb 0.52 -2.48 -0.06 0.00 1.24 0.00 0.00 39.78 39.00 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 -5.10 4.09 0.02 1.20 -1.94 0.18 -4.76 119.30 112.98 2cub s MET 18 Ca 0.15 0.62 -0.30 0.00 -1.71 0.00 0.00 55.69 54.44 2cub s MET 18 Cb -0.06 -3.67 -0.06 0.00 2.01 0.00 0.00 34.83 33.05 2cub s MET 18 CO 0.18 -0.49 1.44 -1.25 -0.01 0.00 0.00 175.02 174.89 2cub s PRO 19 N 2.65 4.27 0.34 2.03 0.04 -1.26 0.14 135.00 143.22 2cub s PRO 19 Ca 0.29 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.44 2cub s PRO 19 Cb -0.15 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.77 2cub s PRO 19 CO 0.09 -0.59 -0.01 0.00 0.04 0.00 0.00 177.00 176.53 2cub s ALA 20 N 2.36 3.16 -0.22 8.56 0.00 0.76 -1.85 121.76 134.52 2cub s ALA 20 Ca 0.65 -2.00 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2cub s ALA 20 Cb -0.33 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2cub s ALA 20 CO 0.27 0.06 -0.12 -0.47 0.00 0.00 0.00 175.76 175.51 2cub s TYR 21 N -2.54 2.84 -0.41 0.00 5.04 0.11 -1.01 117.35 121.39 2cub s TYR 21 Ca 0.34 -1.92 -0.27 0.00 -2.44 0.00 0.00 57.07 52.78 2cub s TYR 21 Cb 0.01 -1.81 -0.03 0.00 0.35 0.00 0.00 41.96 40.47 2cub s TYR 21 CO 0.19 -0.82 2.00 0.08 -1.34 0.00 0.00 175.55 175.66 2cub s VAL 22 N 1.25 3.28 0.05 3.14 1.01 -0.88 -0.92 120.40 127.33 2cub s VAL 22 Ca -0.04 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.28 2cub s VAL 22 Cb -0.17 -3.49 -0.19 0.00 0.00 0.00 0.00 36.38 32.53 2cub s VAL 22 CO -0.08 -0.38 1.14 0.11 0.00 0.00 0.00 175.10 175.89 2cub h LYS 23 N 15.01 0.00 -4.55 2.72 1.57 -0.45 -2.06 116.57 128.80 2cub h LYS 23 Ca -0.31 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.05 2cub h LYS 23 Cb 1.20 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 2cub h LYS 23 CO 1.09 0.82 -0.78 -0.06 -0.57 0.00 0.00 179.45 179.94 2cub s PHE 24 N -2.71 0.91 -0.23 -1.35 0.08 -1.01 -4.75 117.98 108.92 2cub s PHE 24 Ca -0.00 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.53 2cub s PHE 24 Cb 0.09 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2cub s PHE 24 CO 0.82 -0.10 1.71 0.54 -0.10 0.00 0.00 175.22 178.08 2cub s ASN 25 N 0.20 6.23 -0.07 1.36 2.20 -1.26 -4.43 114.94 119.17 2cub s ASN 25 Ca -0.03 1.63 -0.17 0.00 -0.94 0.00 0.00 52.86 53.36 2cub s ASN 25 Cb -0.08 -2.53 -0.05 0.00 -2.00 0.00 0.00 41.25 36.59 2cub s ASN 25 CO 0.00 -1.38 0.44 -0.47 -2.94 0.00 0.00 177.10 172.76 2cub s TYR 26 N 5.67 3.61 -0.43 1.54 6.14 -0.96 -4.91 117.35 128.00 2cub s TYR 26 Ca 0.76 0.93 -0.09 0.00 0.64 0.00 0.00 57.07 59.30 2cub s TYR 26 Cb -0.26 -2.43 0.09 0.00 0.42 0.00 0.00 41.96 39.78 2cub s TYR 26 CO 0.31 0.38 0.28 -1.64 0.64 0.00 0.00 175.55 175.52 2cub s MET 27 N -0.13 2.57 0.48 4.97 -1.94 -1.26 -1.71 119.30 122.27 2cub s MET 27 Ca 0.24 -1.54 -0.13 0.00 -1.71 0.00 0.00 55.69 52.55 2cub s MET 27 Cb -0.16 -3.82 -0.07 0.00 2.01 0.00 0.00 34.83 32.80 2cub s MET 27 CO 0.11 -1.02 0.89 0.00 -0.01 0.00 0.00 175.02 175.00 2cub s ALA 28 N 1.41 3.20 0.00 3.03 0.00 -1.26 -4.99 121.76 123.15 2cub s ALA 28 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2cub s ALA 28 Cb -0.24 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2cub s ALA 28 CO 0.01 -0.20 0.00 0.39 0.00 0.00 0.00 175.76 175.96 2cub n GLU 29 N -1.63 2.26 -4.31 0.00 1.02 -1.26 -4.92 120.64 111.79 2cub n GLU 29 Ca 0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2cub n GLU 29 Cb 0.54 -0.87 -0.09 0.00 -0.02 0.00 0.00 31.44 31.00 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 2.83 0.32 3.49 0.52 -1.26 -5.00 118.95 118.23 2cub s ARG 30 Ca 0.00 -0.56 0.10 0.00 -0.52 0.00 0.00 55.73 54.75 2cub s ARG 30 Cb 0.00 -2.70 0.89 0.00 0.52 0.00 0.00 34.95 33.67 2cub s ARG 30 CO 0.00 0.64 1.73 1.05 0.02 0.00 0.00 175.30 178.75 2cub h GLU 31 N 4.53 0.56 -0.27 3.54 9.09 -1.99 0.54 114.58 130.58 2cub h GLU 31 Ca -0.49 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 58.88 2cub h GLU 31 Cb 1.18 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 28.14 2cub h GLU 31 CO 0.57 0.37 0.16 -0.44 0.05 0.00 0.00 179.01 179.72 2cub h ASP 32 N 0.58 0.32 -3.75 3.06 3.32 -1.94 -3.43 116.42 114.57 2cub h ASP 32 Ca 0.64 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 57.19 2cub h ASP 32 Cb 1.23 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2cub h ASP 32 CO -0.46 0.25 0.12 -1.61 -1.72 0.00 0.00 179.24 175.82 2cub s GLU 33 N -5.30 4.03 -0.01 3.56 2.02 0.19 0.73 118.70 123.93 2cub s GLU 33 Ca -0.07 0.72 0.05 0.00 0.02 0.00 0.00 54.97 55.69 2cub s GLU 33 Cb 0.17 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2cub s GLU 33 CO 0.71 0.15 -0.15 -1.17 0.02 0.00 0.00 175.26 174.82 2cub s LEU 34 N -2.96 2.71 -0.38 1.80 2.96 -1.17 -4.59 118.68 117.05 2cub s LEU 34 Ca 0.54 -0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 2cub s LEU 34 Cb -0.10 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2cub s LEU 34 CO 0.17 0.30 0.68 -0.44 -1.32 0.00 0.00 176.35 175.75 2cub s SER 35 N -1.08 6.43 0.52 3.68 0.01 -1.26 -4.37 113.70 117.63 2cub s SER 35 Ca 0.13 0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 2cub s SER 35 Cb -0.11 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2cub s SER 35 CO 0.03 -0.69 0.83 -0.76 0.41 0.00 0.00 173.24 173.07 2cub s LEU 36 N 2.87 3.49 -0.09 2.44 1.43 -0.69 -4.90 118.68 123.23 2cub s LEU 36 Ca 0.26 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 2cub s LEU 36 Cb -0.14 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.28 2cub s LEU 36 CO 0.17 -0.74 -0.08 -0.63 0.23 0.00 0.00 176.35 175.30 2cub s ILE 37 N -2.84 0.97 -0.06 -0.59 1.01 -1.26 -2.27 121.20 116.16 2cub s ILE 37 Ca 0.50 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 2cub s ILE 37 Cb -0.10 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 2cub s ILE 37 CO 0.46 0.35 1.98 -0.75 0.00 0.00 0.00 174.94 176.97 2cub s LYS 38 N 1.42 3.85 0.00 2.79 2.20 -1.26 -2.36 119.74 126.38 2cub s LYS 38 Ca -0.01 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 2cub s LYS 38 Cb -0.13 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 2cub s LYS 38 CO -0.05 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.07 2cub n GLY 39 N 4.84 1.38 2.75 5.54 0.00 -0.77 -4.93 105.19 113.99 2cub n GLY 39 Ca 0.22 0.00 -0.22 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 -1.23 0.00 -4.26 2.61 -2.24 -0.99 -5.02 114.28 103.14 2cub n THR 40 Ca 0.00 -1.91 -0.19 0.00 -2.27 0.00 0.00 64.05 59.67 2cub n THR 40 Cb 0.00 0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.30 0.80 0.44 -0.78 2.20 -1.26 -2.08 119.74 115.76 2cub s LYS 41 Ca 0.13 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 2cub s LYS 41 Cb 0.01 -0.77 -0.06 0.00 -1.51 0.00 0.00 37.83 35.50 2cub s LYS 41 CO 0.09 0.04 0.05 0.14 -0.36 0.00 0.00 175.35 175.31 2cub s VAL 42 N 0.40 1.84 -0.30 4.02 -7.23 -0.18 -4.94 120.40 114.02 2cub s VAL 42 Ca -0.06 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2cub s VAL 42 Cb -0.10 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 34.15 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 -2.73 2.22 0.09 -0.62 -1.09 -1.08 -0.17 121.20 117.81 2cub s ILE 43 Ca 0.29 -1.98 -0.31 0.00 -2.23 0.00 0.00 60.65 56.42 2cub s ILE 43 Cb 0.07 -2.48 -0.07 0.00 -1.58 0.00 0.00 42.46 38.40 2cub s ILE 43 CO 0.15 -0.30 1.26 -0.69 -1.23 0.00 0.00 174.94 174.13 2cub s VAL 44 N 1.00 3.75 -0.05 2.92 1.01 0.12 -1.66 120.40 127.50 2cub s VAL 44 Ca 0.01 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2cub s VAL 44 Cb -0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2cub s VAL 44 CO -0.06 0.11 -0.02 0.23 0.00 0.00 0.00 175.10 175.35 2cub n MET 45 N 3.83 1.43 -4.23 2.72 2.81 -0.01 0.41 117.12 124.07 2cub n MET 45 Ca 0.09 0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.82 2cub n MET 45 Cb 0.45 -1.11 -0.11 0.00 -0.71 0.00 0.00 33.22 31.73 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 -2.11 0.99 -0.04 0.03 -6.30 -0.25 0.23 118.70 111.26 2cub s GLU 46 Ca -0.05 -1.19 0.01 0.00 -2.50 0.00 0.00 54.97 51.24 2cub s GLU 46 Cb 0.02 -0.92 0.02 0.00 0.00 0.00 0.00 34.13 33.25 2cub s GLU 46 CO 0.15 0.18 -0.02 0.15 0.02 0.00 0.00 175.26 175.74 2cub s LYS 47 N -2.46 0.59 -0.06 4.30 1.02 -0.99 -1.18 119.74 120.97 2cub s LYS 47 Ca 0.07 -0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 2cub s LYS 47 Cb -0.06 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2cub s LYS 47 CO 0.03 -0.11 0.11 0.00 -0.92 0.00 0.00 175.35 174.46 2cub h SER 49 N 4.51 -0.43 -0.88 0.00 0.87 -1.94 -2.87 113.55 112.81 2cub h SER 49 Ca -0.51 -0.06 0.33 0.00 -1.23 0.00 0.00 61.79 60.32 2cub h SER 49 Cb 1.20 0.11 -0.16 0.00 -0.44 0.00 0.00 62.40 63.11 2cub h SER 49 CO 0.61 -0.21 0.33 -0.67 -0.53 0.00 0.00 176.83 176.36 2cub n ASP 50 N -5.26 0.18 0.00 6.23 2.03 -1.26 -4.66 116.55 113.81 2cub n ASP 50 Ca -0.11 1.47 0.00 0.00 0.52 0.00 0.00 54.79 56.67 2cub n ASP 50 Cb 0.25 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -1.30 0.62 3.23 0.27 0.00 -1.09 -5.15 105.19 101.78 2cub n GLY 51 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.62 2.49 0.15 1.61 0.52 -1.22 -4.30 118.94 117.56 2cub s TRP 52 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 56.10 55.23 2cub s TRP 52 Cb 0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2cub s TRP 52 CO 0.00 -0.36 0.07 -1.58 0.02 0.00 0.00 176.95 175.10 2cub s TRP 53 N 0.22 3.03 -0.18 -1.98 0.52 -0.14 0.13 118.94 120.54 2cub s TRP 53 Ca -0.15 -0.05 -0.01 0.00 0.02 0.00 0.00 56.10 55.91 2cub s TRP 53 Cb -0.17 -1.48 0.05 0.00 -1.15 0.00 0.00 33.47 30.72 2cub s TRP 53 CO 0.07 0.52 -0.03 0.50 0.02 0.00 0.00 176.95 178.03 2cub s ARG 54 N -2.92 1.20 0.00 4.98 3.52 -0.32 0.07 118.95 125.47 2cub s ARG 54 Ca 0.29 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2cub s ARG 54 Cb -0.10 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 2cub s ARG 54 CO 0.21 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 2cub n GLY 55 N 4.91 5.48 3.18 8.12 0.00 -1.16 -0.83 105.19 124.88 2cub n GLY 55 Ca -0.11 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 0.58 1.73 -0.26 1.61 0.15 -0.66 -2.95 113.70 113.91 2cub s SER 56 Ca 0.00 -0.65 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 2cub s SER 56 Cb 0.00 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.40 2cub s SER 56 CO 0.00 -0.09 0.38 -0.47 1.20 0.00 0.00 173.24 174.26 2cub s TYR 57 N -1.45 -0.86 -1.18 3.44 5.04 0.94 -2.64 117.35 120.64 2cub s TYR 57 Ca 0.00 0.70 -0.03 0.00 -2.44 0.00 0.00 57.07 55.30 2cub s TYR 57 Cb -0.09 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.20 2cub s TYR 57 CO 0.02 -0.78 1.01 -1.71 -1.34 0.00 0.00 175.55 172.75 2cub n ASN 58 N 5.36 -3.74 0.00 4.32 2.85 -1.26 -1.70 115.26 121.10 2cub n ASN 58 Ca -0.03 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.90 2cub n ASN 58 Cb 0.50 -4.79 0.00 0.00 1.24 0.00 0.00 39.78 36.73 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 -1.45 2.94 3.88 8.20 0.00 -1.26 -5.00 105.19 112.49 2cub n GLY 59 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.08 3.72 -0.08 1.61 -0.21 -0.69 -5.09 119.66 118.84 2cub s GLN 60 Ca 0.00 0.55 -0.09 0.00 0.02 0.00 0.00 55.36 55.84 2cub s GLN 60 Cb 0.00 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.75 2cub s GLN 60 CO 0.00 -0.23 0.24 0.08 -2.12 0.00 0.00 175.29 173.27 2cub s VAL 61 N -2.67 0.01 0.00 1.09 1.01 -1.26 -0.04 120.40 118.54 2cub s VAL 61 Ca 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2cub s VAL 61 Cb -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2cub s VAL 61 CO 0.39 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2cub n GLY 62 N 2.67 0.94 3.39 4.51 0.00 -1.15 -4.77 105.19 110.78 2cub n GLY 62 Ca -0.14 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.40 3.03 0.06 1.61 0.52 0.22 -3.00 118.94 117.98 2cub s TRP 63 Ca 0.00 -0.63 0.04 0.00 0.02 0.00 0.00 56.10 55.53 2cub s TRP 63 Cb 0.00 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 2cub s TRP 63 CO 0.00 -0.42 -0.13 -0.59 0.02 0.00 0.00 176.95 175.84 2cub s PHE 64 N 1.46 1.08 -0.19 -1.98 -0.12 0.11 -3.02 117.98 115.32 2cub s PHE 64 Ca 0.05 -0.45 -0.29 0.00 -0.05 0.00 0.00 56.93 56.19 2cub s PHE 64 Cb -0.15 -0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 2cub s PHE 64 CO 0.01 0.02 1.59 -1.25 -0.05 0.00 0.00 175.22 175.53 2cub s PRO 65 N -1.60 3.89 0.60 1.99 0.04 -1.26 -0.97 135.00 137.69 2cub s PRO 65 Ca -0.03 1.73 0.31 0.00 0.04 0.00 0.00 61.00 63.05 2cub s PRO 65 Cb -0.10 -4.00 1.79 0.00 0.04 0.00 0.00 34.50 32.23 2cub s PRO 65 CO 0.02 -1.18 2.17 0.66 0.04 0.00 0.00 177.00 178.71 2cub h SER 66 N 10.31 0.00 -0.18 6.66 4.64 -1.90 -0.63 113.55 132.46 2cub h SER 66 Ca -0.34 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.04 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 0.99 0.00 0.19 0.78 -0.87 0.00 0.00 176.83 177.92 2cub h ASN 67 N 0.00 0.00 0.90 4.97 -0.26 -1.89 0.27 115.58 119.57 2cub h ASN 67 Ca 0.04 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.56 2cub h ASN 67 Cb 0.29 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 2cub h ASN 67 CO -0.00 0.00 -1.15 1.88 -1.06 0.00 0.00 177.43 177.10 2cub h TYR 68 N 0.00 0.00 -1.52 1.19 -1.99 -1.46 -3.47 116.97 109.72 2cub h TYR 68 Ca 0.09 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.33 2cub h TYR 68 Cb 0.46 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 2cub h TYR 68 CO 0.00 0.98 -0.36 0.14 -0.00 0.00 0.00 178.16 178.92 2cub s VAL 69 N -2.70 2.74 -0.01 -2.88 -7.23 0.09 0.31 120.40 110.73 2cub s VAL 69 Ca -0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2cub s VAL 69 Cb 0.09 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2cub s VAL 69 CO 0.82 -0.01 -0.00 0.28 -0.31 0.00 0.00 175.10 175.88 2cub s THR 70 N -2.45 0.07 -0.41 5.32 -1.32 -0.10 -4.85 115.64 111.91 2cub s THR 70 Ca 0.49 0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.72 2cub s THR 70 Cb -0.04 -0.11 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 2cub s THR 70 CO 0.29 0.05 2.26 -1.61 -2.21 0.00 0.00 174.62 173.40 2cub s GLU 71 N 0.32 2.55 -0.52 7.08 2.02 -1.26 0.08 118.70 128.97 2cub s GLU 71 Ca -0.03 1.53 -0.16 0.00 0.02 0.00 0.00 54.97 56.34 2cub s GLU 71 Cb -0.05 -4.47 0.12 0.00 0.10 0.00 0.00 34.13 29.83 2cub s GLU 71 CO -0.01 -2.77 0.47 -2.00 0.02 0.00 0.00 175.26 170.98 2cub s GLU 72 N 7.38 2.97 0.35 1.61 2.56 -0.77 -4.94 118.70 127.85 2cub s GLU 72 Ca 0.94 -1.65 -0.27 0.00 0.00 0.00 0.00 54.97 54.00 2cub s GLU 72 Cb -0.22 -4.25 -0.12 0.00 2.00 0.00 0.00 34.13 31.54 2cub s GLU 72 CO 0.29 -1.27 1.25 0.41 -0.56 0.00 0.00 175.26 175.38 2cub n GLY 73 N 5.23 0.47 3.92 -1.50 0.00 -1.26 -4.68 105.19 107.36 2cub n GLY 73 Ca -0.13 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2cub n GLY 73 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cub s ASP 74 N -0.39 5.81 0.01 1.61 1.47 -1.26 -5.10 116.67 118.82 2cub s ASP 74 Ca 0.57 0.68 0.07 0.00 1.18 0.00 0.00 52.55 55.04 2cub s ASP 74 Cb -0.57 -1.80 -0.03 0.00 -0.34 0.00 0.00 42.92 40.18 2cub s ASP 74 CO 0.61 -0.87 -0.19 -0.55 0.68 0.00 0.00 175.17 174.85 2cub s SER 75 N -4.24 3.68 -0.16 2.11 0.15 -1.26 -5.09 113.70 108.89 2cub s SER 75 Ca 0.51 -0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 2cub s SER 75 Cb -0.10 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 2cub s SER 75 CO 0.44 0.29 1.57 -2.16 1.20 0.00 0.00 173.24 174.57 2cub s PRO 76 N -1.11 3.98 0.23 5.44 0.04 -1.26 -5.00 135.00 137.32 2cub s PRO 76 Ca 0.13 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 2cub s PRO 76 Cb -0.10 -3.98 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 2cub s PRO 76 CO 0.03 -1.07 0.79 -0.48 0.04 0.00 0.00 177.00 176.31 2cub s LEU 77 N 4.58 4.42 0.00 -3.56 0.05 -1.26 -4.99 118.68 117.93 2cub s LEU 77 Ca 0.69 1.59 0.00 0.00 0.05 0.00 0.00 54.13 56.46 2cub s LEU 77 Cb -0.27 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.27 2cub s LEU 77 CO 0.27 0.07 0.00 0.61 -0.55 0.00 0.00 176.35 176.75 2cub n GLY 78 N 0.96 0.02 3.75 -3.48 0.00 -1.26 -5.10 105.19 100.08 2cub n GLY 78 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2cub n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 79 N -4.74 3.64 0.05 1.61 1.01 -1.26 -5.07 116.67 111.91 2cub s ASP 79 Ca 0.00 1.27 0.07 0.00 0.71 0.00 0.00 52.55 54.60 2cub s ASP 79 Cb 0.00 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 2cub s ASP 79 CO 0.00 -2.50 -0.15 -1.38 0.21 0.00 0.00 175.17 171.34 2cub s HIS 80 N -3.08 2.63 0.12 4.23 -3.43 -1.26 -5.08 115.29 109.43 2cub s HIS 80 Ca 0.63 -0.21 -0.35 0.00 -0.80 0.00 0.00 55.06 54.33 2cub s HIS 80 Cb -0.16 -1.48 -0.15 0.00 -1.43 0.00 0.00 32.58 29.36 2cub s HIS 80 CO 0.55 0.30 1.47 1.55 -2.00 0.00 0.00 174.74 176.62 2cub n VAL 81 N 1.42 0.01 0.00 -5.38 3.14 -1.26 -4.92 118.33 111.34 2cub n VAL 81 Ca -0.16 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2cub n VAL 81 Cb 0.52 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2cub n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2cub n GLY 82 N 3.02 0.09 3.43 7.55 0.00 -1.26 -5.11 105.19 112.91 2cub n GLY 82 Ca 0.18 0.71 -0.62 0.00 0.00 0.00 0.00 46.02 46.28 2cub n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cub n SER 83 N 0.00 1.08 0.00 1.61 2.88 -1.26 -4.88 113.62 113.05 2cub n SER 83 Ca 0.00 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2cub n SER 83 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2cub n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cub n GLY 84 N 4.02 -1.27 3.55 0.46 0.00 -1.26 -4.13 105.19 106.57 2cub n GLY 84 Ca 0.31 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.08 2.59 0.92 1.61 0.04 -1.26 -4.96 135.00 133.86 2cub s PRO 85 Ca 0.00 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.09 2cub s PRO 85 Cb 0.00 -4.69 -0.08 0.00 0.04 0.00 0.00 34.50 29.77 2cub s PRO 85 CO 0.00 -3.03 -0.25 0.43 0.04 0.00 0.00 177.00 174.19 2cub n SER 86 N 13.33 -4.19 -4.45 6.66 7.64 -1.26 -4.90 113.62 126.45 2cub n SER 86 Ca 0.29 0.30 -0.29 0.00 1.01 0.00 0.00 58.87 60.19 2cub n SER 86 Cb 0.50 -0.95 0.25 0.00 -1.01 0.00 0.00 64.21 63.00 2cub n SER 86 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cub n SER 87 N 1.55 -1.83 0.00 6.43 3.41 -1.26 -5.20 113.62 116.72 2cub n SER 87 Ca 0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2cub n SER 87 Cb 0.54 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49