#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 -0.22 -0.42 1.61 0.01 -1.26 -5.13 113.70 108.30 2cub s SER 2 Ca 0.00 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 2cub s SER 2 Cb 0.00 0.62 0.10 0.00 0.21 0.00 0.00 66.02 66.95 2cub s SER 2 CO 0.00 -1.16 0.23 -0.44 0.41 0.00 0.00 173.24 172.29 2cub s SER 3 N -2.92 5.41 -0.87 2.44 0.01 -1.26 -5.04 113.70 111.48 2cub s SER 3 Ca 0.13 -1.83 -0.25 0.00 1.31 0.00 0.00 55.95 55.31 2cub s SER 3 Cb -0.02 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.32 2cub s SER 3 CO 0.03 -0.56 1.62 -0.83 0.41 0.00 0.00 173.24 173.91 2cub s GLY 4 N 2.05 0.71 -0.19 3.44 0.00 -1.26 -4.74 107.32 107.33 2cub s GLY 4 Ca 0.05 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 42.98 2cub s GLY 4 CO -0.02 3.02 -0.35 1.44 0.00 0.00 0.00 173.10 177.19 2cub n SER 5 N 11.02 1.94 -4.21 1.64 7.64 -1.26 -4.82 113.62 125.57 2cub n SER 5 Ca 0.27 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 2cub n SER 5 Cb 0.50 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 2cub n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cub s SER 6 N -6.10 6.20 -0.82 6.43 0.15 -1.26 -4.95 113.70 113.35 2cub s SER 6 Ca -0.30 -3.06 -0.07 0.00 0.70 0.00 0.00 55.95 53.22 2cub s SER 6 Cb 0.05 -2.04 -0.14 0.00 -1.71 0.00 0.00 66.02 62.18 2cub s SER 6 CO 0.44 -0.40 3.19 0.61 1.20 0.00 0.00 173.24 178.28 2cub n GLY 7 N 3.34 3.80 3.28 9.45 0.00 -1.26 -4.83 105.19 118.97 2cub n GLY 7 Ca 0.15 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2cub n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cub s ASP 8 N 1.82 -0.14 0.67 1.61 -4.77 -1.26 -5.16 116.67 109.43 2cub s ASP 8 Ca 0.67 -0.29 -0.15 0.00 -3.30 0.00 0.00 52.55 49.48 2cub s ASP 8 Cb 0.26 0.40 0.01 0.00 -1.09 0.00 0.00 42.92 42.49 2cub s ASP 8 CO -0.05 -0.72 1.11 -2.16 0.70 0.00 0.00 175.17 174.05 2cub s PRO 9 N -3.20 2.75 1.22 2.11 0.04 -1.26 -4.86 135.00 131.81 2cub s PRO 9 Ca -0.01 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2cub s PRO 9 Cb 0.01 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2cub s PRO 9 CO -0.07 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2cub n GLY 10 N -0.58 -1.93 3.51 0.56 0.00 -1.26 -5.03 105.19 100.45 2cub n GLY 10 Ca 0.10 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.90 -0.39 1.61 2.56 -1.26 -5.13 118.70 116.99 2cub s GLU 11 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 54.97 54.60 2cub s GLU 11 Cb 0.00 0.42 0.01 0.00 2.00 0.00 0.00 34.13 36.56 2cub s GLU 11 CO 0.00 -0.36 0.71 1.03 -0.56 0.00 0.00 175.26 176.08 2cub s ARG 12 N -2.51 3.59 -0.31 4.30 3.00 -1.26 -4.97 118.95 120.80 2cub s ARG 12 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 55.73 55.68 2cub s ARG 12 Cb -0.01 -3.85 0.00 0.00 0.00 0.00 0.00 34.95 31.09 2cub s ARG 12 CO -0.04 -0.88 0.12 -0.51 0.00 0.00 0.00 175.30 173.99 2cub s LEU 13 N 2.94 4.03 0.00 2.53 1.43 -1.26 -5.07 118.68 123.28 2cub s LEU 13 Ca 0.27 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2cub s LEU 13 Cb -0.14 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2cub s LEU 13 CO 0.18 -0.20 0.25 0.00 0.23 0.00 0.00 176.35 176.80 2cub n TYR 14 N 4.93 -0.59 -4.36 0.29 4.11 -1.26 -2.41 117.16 117.88 2cub n TYR 14 Ca -0.14 -2.71 -0.37 0.00 -0.00 0.00 0.00 57.90 54.68 2cub n TYR 14 Cb 0.48 0.23 -0.07 0.00 -0.00 0.00 0.00 39.34 39.98 2cub n TYR 14 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2cub n ASP 15 N -1.68 -1.31 -0.02 9.48 5.75 0.63 -4.83 116.55 124.57 2cub n ASP 15 Ca 0.05 -1.18 -0.16 0.00 -0.01 0.00 0.00 54.79 53.49 2cub n ASP 15 Cb 0.59 -2.00 -0.12 0.00 -1.03 0.00 0.00 41.12 38.57 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 -1.34 0.30 -0.11 -2.12 4.07 -1.38 -3.48 115.31 111.25 2cub h LEU 16 Ca -0.62 -0.79 -0.23 0.00 0.08 0.00 0.00 57.88 56.32 2cub h LEU 16 Cb 1.39 -0.09 0.05 0.00 1.08 0.00 0.00 40.66 43.09 2cub h LEU 16 CO 0.80 1.06 -0.35 0.59 -1.08 0.00 0.00 178.44 179.45 2cub n ASN 17 N -4.42 -4.24 -4.66 -0.43 4.13 0.19 -4.98 115.26 100.86 2cub n ASN 17 Ca -0.10 -0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.55 2cub n ASN 17 Cb 0.56 -3.01 -0.06 0.00 -1.54 0.00 0.00 39.78 35.73 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 -5.37 4.19 -0.05 3.52 -1.94 -0.02 -4.78 119.30 114.85 2cub s MET 18 Ca 0.23 0.50 -0.30 0.00 -1.71 0.00 0.00 55.69 54.40 2cub s MET 18 Cb -0.10 -3.58 -0.05 0.00 2.01 0.00 0.00 34.83 33.12 2cub s MET 18 CO 0.28 -0.21 1.49 -1.25 -0.01 0.00 0.00 175.02 175.32 2cub s PRO 19 N 1.82 4.23 0.32 2.03 0.04 -1.26 0.31 135.00 142.48 2cub s PRO 19 Ca 0.26 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.41 2cub s PRO 19 Cb -0.16 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.56 2cub s PRO 19 CO 0.10 -0.72 0.04 0.00 0.04 0.00 0.00 177.00 176.46 2cub s ALA 20 N 3.27 3.27 -0.23 8.56 0.00 0.85 -2.18 121.76 135.31 2cub s ALA 20 Ca 0.66 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2cub s ALA 20 Cb -0.31 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2cub s ALA 20 CO 0.26 0.12 -0.14 -0.47 0.00 0.00 0.00 175.76 175.52 2cub s TYR 21 N -2.44 3.08 -0.52 0.00 5.04 0.16 -0.84 117.35 121.83 2cub s TYR 21 Ca 0.35 -2.06 -0.27 0.00 -2.44 0.00 0.00 57.07 52.65 2cub s TYR 21 Cb -0.03 -1.93 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 2cub s TYR 21 CO 0.20 -0.85 2.00 0.08 -1.34 0.00 0.00 175.55 175.64 2cub s VAL 22 N 1.18 3.27 -0.07 3.14 1.01 -0.76 -0.70 120.40 127.46 2cub s VAL 22 Ca -0.03 0.19 0.14 0.00 0.00 0.00 0.00 61.98 62.28 2cub s VAL 22 Cb -0.17 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2cub s VAL 22 CO -0.08 -0.56 1.46 0.11 0.00 0.00 0.00 175.10 176.02 2cub h LYS 23 N 15.79 0.00 -3.60 2.72 1.57 -0.00 -1.76 116.57 131.29 2cub h LYS 23 Ca -0.27 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.19 2cub h LYS 23 Cb 1.19 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.16 2cub h LYS 23 CO 1.16 0.56 -0.74 -0.06 -0.57 0.00 0.00 179.45 179.81 2cub s PHE 24 N -3.00 0.13 0.00 -1.35 0.08 -0.94 -4.76 117.98 108.14 2cub s PHE 24 Ca 0.03 0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 2cub s PHE 24 Cb 0.08 -0.29 -0.07 0.00 -0.57 0.00 0.00 43.02 42.17 2cub s PHE 24 CO 0.75 -0.10 1.76 0.54 -0.10 0.00 0.00 175.22 178.07 2cub s ASN 25 N 1.03 6.58 -0.13 1.36 2.20 -1.26 -4.42 114.94 120.30 2cub s ASN 25 Ca -0.09 2.44 -0.09 0.00 -0.94 0.00 0.00 52.86 54.17 2cub s ASN 25 Cb -0.13 -2.54 -0.04 0.00 -2.00 0.00 0.00 41.25 36.54 2cub s ASN 25 CO -0.02 -0.96 0.18 -0.47 -2.94 0.00 0.00 177.10 172.88 2cub s TYR 26 N 3.90 3.56 -0.46 1.54 6.14 -0.41 -4.88 117.35 126.74 2cub s TYR 26 Ca 0.79 0.55 -0.11 0.00 0.64 0.00 0.00 57.07 58.93 2cub s TYR 26 Cb -0.38 -2.06 0.10 0.00 0.42 0.00 0.00 41.96 40.04 2cub s TYR 26 CO 0.34 0.59 0.34 0.00 0.64 0.00 0.00 175.55 177.46 2cub s MET 27 N -0.61 2.67 0.44 4.97 0.23 -1.26 -1.81 119.30 123.92 2cub s MET 27 Ca 0.15 -1.58 -0.16 0.00 -1.03 0.00 0.00 55.69 53.07 2cub s MET 27 Cb -0.12 -3.95 -0.08 0.00 -1.53 0.00 0.00 34.83 29.14 2cub s MET 27 CO 0.04 -1.09 0.89 0.00 -2.03 0.00 0.00 175.02 172.82 2cub s ALA 28 N 1.46 3.17 0.00 3.16 0.00 -1.26 -4.99 121.76 123.30 2cub s ALA 28 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2cub s ALA 28 Cb -0.25 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2cub s ALA 28 CO 0.02 -0.01 0.00 0.39 0.00 0.00 0.00 175.76 176.16 2cub n GLU 29 N -1.12 2.87 -4.02 0.00 1.02 -1.26 -4.92 120.64 113.21 2cub n GLU 29 Ca 0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 2cub n GLU 29 Cb 0.54 -0.89 -0.07 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 -1.76 3.29 0.55 3.49 0.52 -1.26 -4.98 118.95 118.80 2cub s ARG 30 Ca 0.00 -0.27 0.31 0.00 -0.52 0.00 0.00 55.73 55.26 2cub s ARG 30 Cb 0.00 -3.04 1.48 0.00 0.52 0.00 0.00 34.95 33.90 2cub s ARG 30 CO 0.00 0.73 1.87 1.05 0.02 0.00 0.00 175.30 178.97 2cub h GLU 31 N 4.73 0.00 -0.03 3.54 -0.00 -2.00 0.60 114.58 121.41 2cub h GLU 31 Ca -0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 58.72 2cub h GLU 31 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 2cub h GLU 31 CO 0.59 0.00 -0.53 -0.44 -0.00 0.00 0.00 179.01 178.64 2cub h ASP 32 N 0.00 0.10 -3.68 3.06 5.19 -1.93 -3.44 116.42 115.72 2cub h ASP 32 Ca 0.40 -0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 56.26 2cub h ASP 32 Cb 1.69 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.15 2cub h ASP 32 CO -0.00 0.61 0.07 -1.61 -3.12 0.00 0.00 179.24 175.19 2cub s GLU 33 N -3.86 3.92 -0.01 3.56 0.41 0.21 0.34 118.70 123.27 2cub s GLU 33 Ca -0.03 0.57 0.04 0.00 -0.41 0.00 0.00 54.97 55.14 2cub s GLU 33 Cb 0.13 -2.45 -0.03 0.00 -1.78 0.00 0.00 34.13 30.00 2cub s GLU 33 CO 0.76 0.13 -0.11 -1.17 -0.49 0.00 0.00 175.26 174.39 2cub s LEU 34 N -3.17 2.94 -0.43 1.80 2.96 -0.44 -4.55 118.68 117.79 2cub s LEU 34 Ca 0.53 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 2cub s LEU 34 Cb -0.10 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2cub s LEU 34 CO 0.21 0.30 0.65 -0.44 -1.32 0.00 0.00 176.35 175.75 2cub s SER 35 N -1.19 6.34 0.47 3.68 0.01 -1.26 -4.35 113.70 117.40 2cub s SER 35 Ca 0.15 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2cub s SER 35 Cb -0.11 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2cub s SER 35 CO 0.05 -0.76 0.76 -0.76 0.41 0.00 0.00 173.24 172.94 2cub s LEU 36 N 2.82 3.65 -0.08 2.44 1.43 -0.75 -4.88 118.68 123.31 2cub s LEU 36 Ca 0.23 0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2cub s LEU 36 Cb -0.14 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.36 2cub s LEU 36 CO 0.19 -0.58 -0.05 -0.63 0.23 0.00 0.00 176.35 175.50 2cub s ILE 37 N -2.69 0.72 0.02 -0.59 1.01 -1.26 -1.29 121.20 117.11 2cub s ILE 37 Ca 0.47 -0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 2cub s ILE 37 Cb -0.10 -0.78 -0.10 0.00 0.01 0.00 0.00 42.46 41.49 2cub s ILE 37 CO 0.43 0.30 1.95 1.17 0.00 0.00 0.00 174.94 178.80 2cub n LYS 38 N 4.71 2.74 0.00 2.79 4.81 -1.26 -2.27 118.16 129.69 2cub n LYS 38 Ca -0.14 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2cub n LYS 38 Cb 0.50 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 4.52 1.29 3.05 3.14 0.00 -0.66 -4.89 105.19 111.63 2cub n GLY 39 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.15 0.00 -4.39 2.61 -2.24 -0.96 -5.02 114.28 103.13 2cub n THR 40 Ca 0.00 -2.09 -0.20 0.00 -2.27 0.00 0.00 64.05 59.49 2cub n THR 40 Cb 0.00 0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 68.68 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 -3.47 0.88 0.45 -0.78 2.20 -1.26 -1.83 119.74 115.92 2cub s LYS 41 Ca 0.10 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 2cub s LYS 41 Cb 0.00 -0.83 -0.05 0.00 -1.51 0.00 0.00 37.83 35.44 2cub s LYS 41 CO 0.07 0.15 0.01 0.14 -0.36 0.00 0.00 175.35 175.37 2cub s VAL 42 N 0.01 1.56 -0.33 4.02 -7.23 -0.02 -4.88 120.40 113.51 2cub s VAL 42 Ca -0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2cub s VAL 42 Cb -0.06 -2.62 0.10 0.00 0.56 0.00 0.00 36.38 34.35 2cub s VAL 42 CO 0.00 0.00 0.04 -0.63 -0.31 0.00 0.00 175.10 174.20 2cub s ILE 43 N -2.83 2.30 0.10 -0.62 -1.09 -0.99 -0.10 121.20 117.98 2cub s ILE 43 Ca 0.23 -2.26 -0.31 0.00 -2.23 0.00 0.00 60.65 56.07 2cub s ILE 43 Cb 0.06 -2.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.19 2cub s ILE 43 CO 0.12 -0.54 1.49 -0.69 -1.23 0.00 0.00 174.94 174.09 2cub s VAL 44 N 0.93 3.11 -0.08 2.92 1.01 0.15 -1.62 120.40 126.82 2cub s VAL 44 Ca 0.09 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.82 2cub s VAL 44 Cb -0.19 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2cub s VAL 44 CO -0.08 0.04 -0.04 0.23 0.00 0.00 0.00 175.10 175.25 2cub n MET 45 N 4.46 1.22 -4.29 2.72 2.81 0.73 0.56 117.12 125.34 2cub n MET 45 Ca 0.13 0.03 -0.17 0.00 -1.81 0.00 0.00 57.70 55.88 2cub n MET 45 Cb 0.41 -1.17 -0.10 0.00 -0.71 0.00 0.00 33.22 31.65 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 -2.17 1.16 -0.08 0.03 -6.30 0.01 0.23 118.70 111.57 2cub s GLU 46 Ca -0.08 -1.46 -0.03 0.00 -2.50 0.00 0.00 54.97 50.89 2cub s GLU 46 Cb 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 34.13 33.32 2cub s GLU 46 CO 0.23 0.14 0.17 0.15 0.02 0.00 0.00 175.26 175.96 2cub s LYS 47 N -3.46 0.06 -0.35 4.30 1.02 -1.01 -1.59 119.74 118.72 2cub s LYS 47 Ca 0.17 0.52 -0.15 0.00 0.02 0.00 0.00 55.97 56.54 2cub s LYS 47 Cb -0.00 -0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.07 2cub s LYS 47 CO 0.04 -0.26 0.34 0.00 -0.92 0.00 0.00 175.35 174.55 2cub n SER 49 N 5.34 0.22 -0.22 0.00 2.88 -1.26 0.11 113.62 120.69 2cub n SER 49 Ca -0.10 1.29 -0.01 0.00 -1.33 0.00 0.00 58.87 58.72 2cub n SER 49 Cb 0.49 -0.61 0.05 0.00 -0.75 0.00 0.00 64.21 63.40 2cub n SER 49 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2cub h ASP 50 N 0.00 -0.76 0.00 -3.46 3.32 -2.04 -3.45 116.42 110.03 2cub h ASP 50 Ca 0.64 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.89 2cub h ASP 50 Cb 1.65 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.65 2cub h ASP 50 CO -0.62 -0.25 0.00 0.61 -1.72 0.00 0.00 179.24 177.27 2cub n GLY 51 N -1.45 0.69 3.76 2.75 0.00 0.29 -5.14 105.19 106.09 2cub n GLY 51 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 3.49 0.37 1.61 0.52 -1.24 -3.54 118.94 120.15 2cub s TRP 52 Ca 0.00 1.64 0.08 0.00 0.02 0.00 0.00 56.10 57.84 2cub s TRP 52 Cb 0.00 -3.35 -0.05 0.00 -1.15 0.00 0.00 33.47 28.92 2cub s TRP 52 CO 0.00 -0.78 0.11 -1.58 0.02 0.00 0.00 176.95 174.72 2cub s TRP 53 N -1.07 2.62 -0.18 -1.98 0.52 0.53 -1.19 118.94 118.19 2cub s TRP 53 Ca 0.46 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 2cub s TRP 53 Cb -0.33 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.35 2cub s TRP 53 CO 0.42 0.33 0.06 0.50 0.02 0.00 0.00 176.95 178.29 2cub s ARG 54 N -3.82 0.36 0.00 4.98 3.52 -0.62 -0.43 118.95 122.94 2cub s ARG 54 Ca 0.38 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 2cub s ARG 54 Cb 0.01 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 2cub s ARG 54 CO 0.22 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 2cub n GLY 55 N 5.16 4.50 3.37 8.12 0.00 -1.10 -0.19 105.19 125.06 2cub n GLY 55 Ca -0.08 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.48 3.01 -0.25 1.61 0.15 -0.64 -2.47 113.70 114.63 2cub s SER 56 Ca 0.00 -0.87 -0.02 0.00 0.70 0.00 0.00 55.95 55.77 2cub s SER 56 Cb 0.00 -0.20 0.13 0.00 -1.71 0.00 0.00 66.02 64.24 2cub s SER 56 CO 0.00 0.03 0.30 -0.47 1.20 0.00 0.00 173.24 174.31 2cub s TYR 57 N -1.90 -0.55 -1.03 3.44 5.04 -0.45 -2.33 117.35 119.58 2cub s TYR 57 Ca 0.18 0.22 -0.04 0.00 -2.44 0.00 0.00 57.07 54.99 2cub s TYR 57 Cb -0.07 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.96 2cub s TYR 57 CO 0.08 -0.79 0.54 -1.71 -1.34 0.00 0.00 175.55 172.33 2cub n ASN 58 N 5.33 -4.80 0.00 4.32 2.85 -1.26 -2.19 115.26 119.51 2cub n ASN 58 Ca -0.03 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2cub n ASN 58 Cb 0.48 -3.58 0.00 0.00 1.24 0.00 0.00 39.78 37.93 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 -1.36 1.86 3.91 8.20 0.00 -1.26 -5.04 105.19 111.50 2cub n GLY 59 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.55 2.67 -0.10 1.61 -1.52 -0.93 -5.08 119.66 115.76 2cub s GLN 60 Ca 0.00 0.06 -0.08 0.00 -1.95 0.00 0.00 55.36 53.39 2cub s GLN 60 Cb 0.00 -2.16 0.03 0.00 -0.22 0.00 0.00 33.01 30.66 2cub s GLN 60 CO 0.00 -0.97 0.27 0.08 -0.25 0.00 0.00 175.29 174.42 2cub s VAL 61 N -3.18 -0.01 -0.01 1.09 1.01 -1.26 -1.34 120.40 116.70 2cub s VAL 61 Ca 0.57 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 2cub s VAL 61 Cb -0.11 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2cub s VAL 61 CO 0.47 0.01 0.37 0.61 0.00 0.00 0.00 175.10 176.57 2cub n GLY 62 N 3.26 0.52 3.75 4.51 0.00 -1.03 -4.79 105.19 111.41 2cub n GLY 62 Ca -0.16 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.81 3.39 0.01 1.61 0.52 0.15 -2.72 118.94 119.11 2cub s TRP 63 Ca 0.09 0.31 -0.09 0.00 0.02 0.00 0.00 56.10 56.43 2cub s TRP 63 Cb -0.00 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 2cub s TRP 63 CO -0.00 0.46 0.18 -0.59 0.02 0.00 0.00 176.95 177.02 2cub s PHE 64 N -0.41 0.02 -0.04 -1.98 -0.12 0.43 -1.33 117.98 114.55 2cub s PHE 64 Ca 0.10 -0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.55 2cub s PHE 64 Cb -0.12 -0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 2cub s PHE 64 CO 0.02 -0.35 1.48 -1.25 -0.05 0.00 0.00 175.22 175.06 2cub s PRO 65 N -1.82 4.23 0.45 1.99 0.04 -1.26 -0.35 135.00 138.29 2cub s PRO 65 Ca -0.11 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.09 2cub s PRO 65 Cb -0.05 -3.74 1.03 0.00 0.04 0.00 0.00 34.50 31.78 2cub s PRO 65 CO -0.00 -0.70 2.00 1.03 0.04 0.00 0.00 177.00 179.38 2cub h SER 66 N 8.48 0.00 -0.08 6.66 0.87 -1.89 -1.87 113.55 125.71 2cub h SER 66 Ca -0.37 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.22 2cub h SER 66 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2cub h SER 66 CO 0.93 0.17 0.19 0.78 -0.53 0.00 0.00 176.83 178.37 2cub h ASN 67 N 0.00 0.00 0.59 6.23 2.35 -1.91 0.38 115.58 123.22 2cub h ASN 67 Ca -0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 2cub h ASN 67 Cb 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2cub h ASN 67 CO 0.02 0.00 -1.47 1.88 -1.65 0.00 0.00 177.43 176.21 2cub h TYR 68 N 0.00 0.19 -1.60 1.19 -1.99 -1.68 -3.47 116.97 109.61 2cub h TYR 68 Ca 0.04 -0.14 -0.47 0.00 2.00 0.00 0.00 58.73 60.16 2cub h TYR 68 Cb 0.41 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 2cub h TYR 68 CO 0.00 1.18 -0.36 0.14 -0.00 0.00 0.00 178.16 179.11 2cub s VAL 69 N -2.63 3.05 -0.01 -2.88 -7.23 0.12 0.74 120.40 111.56 2cub s VAL 69 Ca -0.06 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2cub s VAL 69 Cb 0.08 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.96 2cub s VAL 69 CO 0.83 -0.05 0.02 0.28 -0.31 0.00 0.00 175.10 175.87 2cub s THR 70 N -2.38 -0.02 -0.68 5.32 -1.32 0.12 -4.84 115.64 111.84 2cub s THR 70 Ca 0.48 0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.78 2cub s THR 70 Cb -0.06 -0.05 -0.09 0.00 -1.51 0.00 0.00 72.50 70.80 2cub s THR 70 CO 0.29 0.03 2.27 -1.61 -2.21 0.00 0.00 174.62 173.39 2cub s GLU 71 N 0.38 2.03 0.02 7.08 2.02 -1.26 0.36 118.70 129.34 2cub s GLU 71 Ca -0.03 0.70 -0.23 0.00 0.02 0.00 0.00 54.97 55.43 2cub s GLU 71 Cb -0.05 -4.71 -0.16 0.00 0.10 0.00 0.00 34.13 29.31 2cub s GLU 71 CO -0.01 -3.69 1.36 1.49 0.02 0.00 0.00 175.26 174.43 2cub h GLU 72 N 15.11 0.18 -1.92 1.61 4.57 -1.74 -3.48 114.58 128.90 2cub h GLU 72 Ca -0.10 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2cub h GLU 72 Cb 1.11 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2cub h GLU 72 CO 1.11 0.55 -0.48 0.41 -1.18 0.00 0.00 179.01 179.42 2cub n GLY 73 N 0.04 -3.72 2.99 1.92 0.00 -1.14 -5.04 105.19 100.24 2cub n GLY 73 Ca -0.07 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2cub n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 74 N -3.21 0.25 0.03 1.61 1.01 -1.26 -5.04 116.67 110.05 2cub s ASP 74 Ca 0.00 0.53 -0.11 0.00 0.71 0.00 0.00 52.55 53.69 2cub s ASP 74 Cb 0.00 0.56 -0.05 0.00 1.01 0.00 0.00 42.92 44.43 2cub s ASP 74 CO 0.00 -0.22 0.37 -0.55 0.21 0.00 0.00 175.17 174.98 2cub s SER 75 N 2.09 6.66 -0.24 0.27 0.15 -1.26 -5.04 113.70 116.33 2cub s SER 75 Ca -0.01 0.80 -0.29 0.00 0.70 0.00 0.00 55.95 57.14 2cub s SER 75 Cb -0.12 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2cub s SER 75 CO -0.08 0.25 1.62 -2.16 1.20 0.00 0.00 173.24 174.07 2cub s PRO 76 N -1.57 3.75 0.16 5.44 0.04 -1.26 -4.96 135.00 136.59 2cub s PRO 76 Ca 0.28 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 2cub s PRO 76 Cb -0.15 -4.05 -0.10 0.00 0.04 0.00 0.00 34.50 30.25 2cub s PRO 76 CO 0.15 -1.35 1.54 -0.51 0.04 0.00 0.00 177.00 176.87 2cub s LEU 77 N 5.34 4.37 0.00 -3.56 2.01 -1.26 -4.02 118.68 121.56 2cub s LEU 77 Ca 0.72 2.57 0.00 0.00 0.01 0.00 0.00 54.13 57.42 2cub s LEU 77 Cb -0.24 -3.59 0.00 0.00 0.01 0.00 0.00 46.19 42.37 2cub s LEU 77 CO 0.30 -0.79 0.00 0.61 1.01 0.00 0.00 176.35 177.47 2cub n GLY 78 N 3.70 1.91 3.72 -3.19 0.00 -1.26 -5.00 105.19 105.07 2cub n GLY 78 Ca 0.13 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.00 5.86 0.36 1.61 1.01 -1.26 -5.06 116.67 115.19 2cub s ASP 79 Ca 0.00 0.22 -0.26 0.00 0.71 0.00 0.00 52.55 53.22 2cub s ASP 79 Cb 0.00 -1.94 -0.13 0.00 1.01 0.00 0.00 42.92 41.87 2cub s ASP 79 CO 0.00 0.27 0.91 1.57 0.21 0.00 0.00 175.17 178.13 2cub n HIS 80 N 2.91 0.87 -1.47 4.23 -0.00 -1.26 -4.69 115.22 115.81 2cub n HIS 80 Ca -0.18 0.64 -0.36 0.00 0.46 0.00 0.00 57.72 58.29 2cub n HIS 80 Cb 0.53 -2.19 0.09 0.00 -0.12 0.00 0.00 29.99 28.31 2cub n HIS 80 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2cub n VAL 81 N -0.23 3.77 0.17 3.57 3.14 -1.26 -4.94 118.33 122.55 2cub n VAL 81 Ca 0.10 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2cub n VAL 81 Cb 0.36 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.77 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 0.78 -0.71 3.68 7.55 0.00 -1.26 -5.08 105.19 110.15 2cub n GLY 82 Ca 0.15 0.09 -0.47 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.47 3.46 0.00 1.61 2.88 -1.26 -4.17 113.62 112.67 2cub n SER 83 Ca 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2cub n SER 83 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 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 4.24 0.01 3.60 0.46 0.00 -1.26 -5.08 105.19 107.15 2cub n GLY 84 Ca 0.21 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 3.36 -0.26 1.61 0.04 -1.26 -4.98 135.00 133.51 2cub s PRO 85 Ca 0.00 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 2cub s PRO 85 Cb 0.00 -4.17 -0.00 0.00 0.04 0.00 0.00 34.50 30.37 2cub s PRO 85 CO 0.00 -1.83 0.02 -1.12 0.04 0.00 0.00 177.00 174.11 2cub s SER 86 N 5.67 4.76 0.21 6.66 0.01 -1.26 -5.08 113.70 124.67 2cub s SER 86 Ca 0.75 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 57.33 2cub s SER 86 Cb -0.20 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2cub s SER 86 CO 0.33 -0.10 0.44 -0.44 0.41 0.00 0.00 173.24 173.87 2cub s SER 87 N 1.49 -0.10 0.00 2.44 0.01 -1.26 -5.30 113.70 110.98 2cub s SER 87 Ca 0.04 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2cub s SER 87 Cb -0.16 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2cub s SER 87 CO -0.00 -1.06 0.36 0.61 0.41 0.00 0.00 173.24 173.56