#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub h SER 2 N 0.00 0.01 -3.40 1.61 0.02 -2.13 -3.47 113.55 106.19 2cub h SER 2 Ca 0.00 -0.54 -0.56 0.00 -0.84 0.00 0.00 61.79 59.85 2cub h SER 2 Cb 0.00 -0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.72 2cub h SER 2 CO 0.00 1.48 -0.16 -1.54 -1.14 0.00 0.00 176.83 175.46 2cub n SER 3 N -4.43 -0.35 0.00 3.07 3.41 -1.26 -4.99 113.62 109.08 2cub n SER 3 Ca -0.31 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2cub n SER 3 Cb 0.68 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 1.45 -0.33 3.64 5.00 0.00 -1.26 -5.04 105.19 108.64 2cub n GLY 4 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.56 -0.76 0.12 1.61 0.01 -1.26 -5.00 113.70 106.86 2cub s SER 5 Ca 0.00 1.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.44 2cub s SER 5 Cb 0.00 1.31 -0.06 0.00 0.21 0.00 0.00 66.02 67.48 2cub s SER 5 CO 0.00 -0.21 0.47 -0.44 0.41 0.00 0.00 173.24 173.47 2cub s SER 6 N 1.08 6.70 -0.41 2.44 0.01 -1.26 -5.02 113.70 117.24 2cub s SER 6 Ca -0.06 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.18 2cub s SER 6 Cb -0.05 -2.22 0.43 0.00 0.21 0.00 0.00 66.02 64.39 2cub s SER 6 CO -0.12 0.12 1.09 0.61 0.41 0.00 0.00 173.24 175.36 2cub n GLY 7 N 0.75 5.36 3.82 3.44 0.00 -1.26 -5.07 105.19 112.23 2cub n GLY 7 Ca -0.06 -2.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.06 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 -3.49 7.06 0.22 1.61 -4.77 -1.26 -4.99 116.67 111.04 2cub s ASP 8 Ca 0.45 1.38 -0.02 0.00 -3.30 0.00 0.00 52.55 51.07 2cub s ASP 8 Cb 0.41 -2.41 0.20 0.00 -1.09 0.00 0.00 42.92 40.04 2cub s ASP 8 CO -0.14 0.07 1.58 1.55 0.70 0.00 0.00 175.17 178.93 2cub h PRO 9 N 3.59 0.55 0.00 2.11 0.13 -2.08 -3.49 132.00 132.81 2cub h PRO 9 Ca -0.48 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2cub h PRO 9 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cub h PRO 9 CO 0.65 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.71 2cub n GLY 10 N 0.03 0.01 2.73 1.56 0.00 -1.26 -5.09 105.19 103.17 2cub n GLY 10 Ca -0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 0.12 -0.86 1.61 0.41 -1.26 -5.09 118.70 111.63 2cub s GLU 11 Ca 0.00 0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 54.51 2cub s GLU 11 Cb 0.00 -1.21 0.05 0.00 -1.78 0.00 0.00 34.13 31.19 2cub s GLU 11 CO 0.00 -0.59 1.29 1.03 -0.49 0.00 0.00 175.26 176.50 2cub s ARG 12 N 2.27 3.38 -0.42 1.61 1.81 -1.26 -4.98 118.95 121.36 2cub s ARG 12 Ca 0.05 -0.84 -0.26 0.00 -1.72 0.00 0.00 55.73 52.96 2cub s ARG 12 Cb -0.15 -4.74 0.02 0.00 -0.45 0.00 0.00 34.95 29.63 2cub s ARG 12 CO -0.10 -2.09 0.97 -0.51 -0.68 0.00 0.00 175.30 172.89 2cub s LEU 13 N 4.88 3.93 0.00 2.53 1.43 -1.26 -5.00 118.68 125.19 2cub s LEU 13 Ca 0.37 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 2cub s LEU 13 Cb -0.06 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2cub s LEU 13 CO 0.02 -1.00 0.26 0.00 0.23 0.00 0.00 176.35 175.85 2cub n TYR 14 N 7.12 -0.68 -4.04 0.29 0.18 -1.26 -2.78 117.16 116.00 2cub n TYR 14 Ca 0.08 -2.63 -0.30 0.00 1.88 0.00 0.00 57.90 56.93 2cub n TYR 14 Cb 0.48 0.25 -0.01 0.00 -0.38 0.00 0.00 39.34 39.68 2cub n TYR 14 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2cub n ASP 15 N -1.75 -2.35 0.01 9.48 8.00 0.11 -4.88 116.55 125.17 2cub n ASP 15 Ca 0.06 -0.95 -0.18 0.00 0.71 0.00 0.00 54.79 54.43 2cub n ASP 15 Cb 0.57 -3.16 -0.14 0.00 -0.02 0.00 0.00 41.12 38.37 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2cub h LEU 16 N -1.76 0.32 2.12 0.64 3.38 -1.50 -3.48 115.31 115.03 2cub h LEU 16 Ca -0.60 -0.96 -0.38 0.00 0.09 0.00 0.00 57.88 56.03 2cub h LEU 16 Cb 1.38 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2cub h LEU 16 CO 0.69 1.28 -0.51 -3.20 0.09 0.00 0.00 178.44 176.79 2cub n ASN 17 N -4.27 -5.36 -4.62 -0.43 2.85 0.25 -4.93 115.26 98.75 2cub n ASN 17 Ca -0.13 -0.08 -0.42 0.00 -0.11 0.00 0.00 54.58 53.84 2cub n ASN 17 Cb 0.72 -4.43 -0.05 0.00 1.24 0.00 0.00 39.78 37.26 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 -5.32 4.02 -0.14 1.20 -1.94 0.05 -4.76 119.30 112.41 2cub s MET 18 Ca 0.12 0.66 -0.29 0.00 -1.71 0.00 0.00 55.69 54.47 2cub s MET 18 Cb -0.06 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 2cub s MET 18 CO 0.15 -0.62 1.55 -1.25 -0.01 0.00 0.00 175.02 174.84 2cub s PRO 19 N 2.89 4.05 0.44 2.03 0.04 -1.26 0.10 135.00 143.29 2cub s PRO 19 Ca 0.32 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.31 2cub s PRO 19 Cb -0.14 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.43 2cub s PRO 19 CO 0.11 -0.98 0.36 0.00 0.04 0.00 0.00 177.00 176.53 2cub s ALA 20 N 4.35 4.05 -0.20 8.56 0.00 0.95 -3.89 121.76 135.57 2cub s ALA 20 Ca 0.68 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 2cub s ALA 20 Cb -0.28 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.03 2cub s ALA 20 CO 0.26 -0.26 -0.04 -0.47 0.00 0.00 0.00 175.76 175.24 2cub s TYR 21 N -2.55 1.94 -0.52 0.00 5.04 0.29 -1.20 117.35 120.36 2cub s TYR 21 Ca 0.45 -1.37 -0.26 0.00 -2.44 0.00 0.00 57.07 53.45 2cub s TYR 21 Cb -0.02 -1.41 -0.04 0.00 0.35 0.00 0.00 41.96 40.84 2cub s TYR 21 CO 0.26 -0.69 2.13 0.08 -1.34 0.00 0.00 175.55 175.99 2cub s VAL 22 N 1.55 3.18 0.14 3.14 1.01 -0.76 -0.63 120.40 128.03 2cub s VAL 22 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2cub s VAL 22 Cb -0.17 -3.44 -0.19 0.00 0.00 0.00 0.00 36.38 32.57 2cub s VAL 22 CO -0.07 -0.41 1.31 0.11 0.00 0.00 0.00 175.10 176.03 2cub h LYS 23 N 17.01 0.11 -4.30 2.72 1.57 0.36 -1.35 116.57 132.69 2cub h LYS 23 Ca -0.26 -0.15 -0.42 0.00 -1.87 0.00 0.00 60.65 57.94 2cub h LYS 23 Cb 1.22 0.05 -0.32 0.00 0.08 0.00 0.00 32.23 33.25 2cub h LYS 23 CO 1.17 1.00 -0.78 -0.06 -0.57 0.00 0.00 179.45 180.20 2cub s PHE 24 N -2.91 0.90 0.08 -1.35 0.08 -0.77 -4.70 117.98 109.31 2cub s PHE 24 Ca -0.01 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 2cub s PHE 24 Cb 0.10 -0.70 -0.09 0.00 -0.57 0.00 0.00 43.02 41.76 2cub s PHE 24 CO 0.83 -0.16 1.71 0.54 -0.10 0.00 0.00 175.22 178.04 2cub s ASN 25 N 0.57 6.55 -0.20 1.36 2.20 -1.26 -4.44 114.94 119.72 2cub s ASN 25 Ca -0.09 2.57 -0.05 0.00 -0.94 0.00 0.00 52.86 54.35 2cub s ASN 25 Cb -0.12 -2.56 -0.02 0.00 -2.00 0.00 0.00 41.25 36.54 2cub s ASN 25 CO 0.01 -0.93 -0.00 -0.47 -2.94 0.00 0.00 177.10 172.77 2cub s TYR 26 N 2.72 3.04 -0.48 1.54 6.14 -0.11 -4.90 117.35 125.30 2cub s TYR 26 Ca 0.76 -0.45 -0.18 0.00 0.64 0.00 0.00 57.07 57.84 2cub s TYR 26 Cb -0.42 -2.08 0.05 0.00 0.42 0.00 0.00 41.96 39.94 2cub s TYR 26 CO 0.34 -0.23 0.55 0.00 0.64 0.00 0.00 175.55 176.85 2cub s MET 27 N 0.97 3.10 0.50 4.97 0.23 -1.26 -1.09 119.30 126.72 2cub s MET 27 Ca 0.01 -0.92 -0.17 0.00 -1.03 0.00 0.00 55.69 53.58 2cub s MET 27 Cb -0.14 -4.07 -0.08 0.00 -1.53 0.00 0.00 34.83 29.00 2cub s MET 27 CO 0.02 -1.10 0.98 0.00 -2.03 0.00 0.00 175.02 172.89 2cub s ALA 28 N 2.36 3.04 0.00 3.16 0.00 -1.26 -4.98 121.76 124.08 2cub s ALA 28 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2cub s ALA 28 Cb -0.19 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2cub s ALA 28 CO 0.12 -0.21 0.00 0.39 0.00 0.00 0.00 175.76 176.06 2cub n GLU 29 N -1.44 1.09 -4.82 0.00 1.02 -1.26 -4.93 120.64 110.29 2cub n GLU 29 Ca 0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 2cub n GLU 29 Cb 0.54 -0.91 -0.13 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.65 2.76 0.40 3.49 0.52 -1.26 -5.00 118.95 118.21 2cub s ARG 30 Ca 0.00 -0.67 0.21 0.00 -0.52 0.00 0.00 55.73 54.75 2cub s ARG 30 Cb 0.00 -2.48 1.20 0.00 0.52 0.00 0.00 34.95 34.19 2cub s ARG 30 CO 0.00 0.53 1.71 1.05 0.02 0.00 0.00 175.30 178.60 2cub h GLU 31 N 5.67 0.28 -0.24 3.54 4.11 -2.01 1.00 114.58 126.93 2cub h GLU 31 Ca -0.42 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 58.95 2cub h GLU 31 Cb 1.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2cub h GLU 31 CO 0.52 0.19 -0.05 -0.44 0.07 0.00 0.00 179.01 179.30 2cub h ASP 32 N 0.29 0.35 -3.82 3.06 3.32 -1.94 -3.43 116.42 114.24 2cub h ASP 32 Ca 0.69 -0.06 -0.48 0.00 0.02 0.00 0.00 57.03 57.19 2cub h ASP 32 Cb 1.86 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 2cub h ASP 32 CO -0.39 0.45 0.17 -1.61 -1.72 0.00 0.00 179.24 176.14 2cub s GLU 33 N -4.88 3.97 -0.02 3.56 8.01 0.34 -0.01 118.70 129.67 2cub s GLU 33 Ca -0.07 0.71 0.05 0.00 0.01 0.00 0.00 54.97 55.68 2cub s GLU 33 Cb 0.16 -2.35 -0.03 0.00 -4.31 0.00 0.00 34.13 27.60 2cub s GLU 33 CO 0.75 0.03 -0.17 -1.17 0.01 0.00 0.00 175.26 174.71 2cub s LEU 34 N -3.38 2.63 -0.39 1.80 2.96 -0.68 -4.57 118.68 117.06 2cub s LEU 34 Ca 0.55 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 2cub s LEU 34 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2cub s LEU 34 CO 0.22 0.31 0.67 -0.44 -1.32 0.00 0.00 176.35 175.79 2cub s SER 35 N -0.97 6.42 0.44 3.68 0.01 -1.26 -4.43 113.70 117.59 2cub s SER 35 Ca 0.13 0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 2cub s SER 35 Cb -0.11 -2.34 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2cub s SER 35 CO 0.02 -0.69 0.81 -0.76 0.41 0.00 0.00 173.24 173.03 2cub s LEU 36 N 2.84 3.74 -0.14 2.44 1.43 -0.25 -4.86 118.68 123.89 2cub s LEU 36 Ca 0.25 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2cub s LEU 36 Cb -0.14 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.03 2cub s LEU 36 CO 0.17 -0.47 -0.14 -0.63 0.23 0.00 0.00 176.35 175.50 2cub s ILE 37 N -2.50 1.53 -0.12 -0.59 1.01 -1.26 -0.93 121.20 118.32 2cub s ILE 37 Ca 0.52 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2cub s ILE 37 Cb -0.10 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 2cub s ILE 37 CO 0.35 0.45 2.13 1.17 0.00 0.00 0.00 174.94 179.03 2cub n LYS 38 N 4.65 2.30 0.00 2.79 4.81 -1.26 -2.29 118.16 129.16 2cub n LYS 38 Ca -0.17 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2cub n LYS 38 Cb 0.50 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 32.42 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 5.30 1.59 2.54 3.14 0.00 -0.51 -4.91 105.19 112.35 2cub n GLY 39 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.76 0.00 -4.43 2.61 -2.24 -0.97 -5.02 114.28 103.47 2cub n THR 40 Ca 0.00 -1.80 -0.21 0.00 -2.27 0.00 0.00 64.05 59.77 2cub n THR 40 Cb 0.00 0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.18 1.00 0.44 -0.78 2.20 -1.26 -1.83 119.74 116.33 2cub s LYS 41 Ca 0.16 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.48 2cub s LYS 41 Cb 0.01 -0.93 -0.05 0.00 -1.51 0.00 0.00 37.83 35.34 2cub s LYS 41 CO 0.11 0.14 0.05 0.14 -0.36 0.00 0.00 175.35 175.43 2cub s VAL 42 N 0.10 1.81 -0.32 4.02 -7.23 -0.34 -4.92 120.40 113.51 2cub s VAL 42 Ca -0.02 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2cub s VAL 42 Cb -0.08 -2.75 0.09 0.00 0.56 0.00 0.00 36.38 34.21 2cub s VAL 42 CO 0.00 0.00 0.02 -0.63 -0.31 0.00 0.00 175.10 174.18 2cub s ILE 43 N -2.74 2.30 0.04 -0.62 -1.09 -1.06 -0.03 121.20 118.00 2cub s ILE 43 Ca 0.28 -2.17 -0.31 0.00 -2.23 0.00 0.00 60.65 56.22 2cub s ILE 43 Cb 0.06 -2.62 -0.06 0.00 -1.58 0.00 0.00 42.46 38.26 2cub s ILE 43 CO 0.15 -0.48 1.37 -0.69 -1.23 0.00 0.00 174.94 174.07 2cub s VAL 44 N 0.96 3.63 -0.08 2.92 1.01 0.12 -1.33 120.40 127.62 2cub s VAL 44 Ca 0.06 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2cub s VAL 44 Cb -0.19 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2cub s VAL 44 CO -0.07 0.03 -0.02 0.23 0.00 0.00 0.00 175.10 175.27 2cub n MET 45 N 4.79 1.67 -4.07 2.72 2.81 0.59 0.88 117.12 126.51 2cub n MET 45 Ca 0.12 0.02 -0.10 0.00 -1.81 0.00 0.00 57.70 55.93 2cub n MET 45 Cb 0.44 -1.19 -0.11 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 -2.18 0.56 -0.00 0.03 2.12 -0.27 -0.71 118.70 118.23 2cub s GLU 46 Ca -0.08 -0.93 0.02 0.00 0.36 0.00 0.00 54.97 54.35 2cub s GLU 46 Cb 0.03 -0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 2cub s GLU 46 CO 0.27 -0.02 -0.08 0.15 -0.54 0.00 0.00 175.26 175.05 2cub s LYS 47 N -2.46 0.60 0.33 4.30 1.02 -1.12 -0.24 119.74 122.17 2cub s LYS 47 Ca -0.04 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.72 2cub s LYS 47 Cb -0.04 -0.57 -0.02 0.00 -0.52 0.00 0.00 37.83 36.68 2cub s LYS 47 CO -0.03 0.15 0.33 0.00 -0.92 0.00 0.00 175.35 174.89 2cub h SER 49 N 1.17 -0.17 -0.73 0.00 0.02 -1.97 -3.35 113.55 108.53 2cub h SER 49 Ca -0.45 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2cub h SER 49 Cb 1.25 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 63.71 2cub h SER 49 CO 0.57 0.16 -0.23 0.47 -1.14 0.00 0.00 176.83 176.66 2cub n ASP 50 N -4.06 -0.36 0.00 3.07 9.92 -1.26 -4.65 116.55 119.21 2cub n ASP 50 Ca -0.02 1.26 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 2cub n ASP 50 Cb 0.08 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2cub n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cub n GLY 51 N -1.41 0.00 3.27 0.44 0.00 -1.25 -5.16 105.19 101.08 2cub n GLY 51 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 2.55 0.27 1.61 0.52 -1.26 -4.07 118.94 118.57 2cub s TRP 52 Ca 0.00 -0.85 0.08 0.00 0.02 0.00 0.00 56.10 55.35 2cub s TRP 52 Cb 0.00 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 2cub s TRP 52 CO 0.00 -0.30 0.16 -1.58 0.02 0.00 0.00 176.95 175.25 2cub s TRP 53 N 0.12 2.96 -0.20 -1.98 0.52 -0.39 0.35 118.94 120.31 2cub s TRP 53 Ca -0.11 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.80 2cub s TRP 53 Cb -0.16 -1.42 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 2cub s TRP 53 CO 0.06 0.49 0.03 0.50 0.02 0.00 0.00 176.95 178.06 2cub s ARG 54 N -3.82 0.70 0.00 4.98 3.52 0.66 -0.69 118.95 124.29 2cub s ARG 54 Ca 0.34 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2cub s ARG 54 Cb -0.07 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 2cub s ARG 54 CO 0.24 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 2cub n GLY 55 N 5.03 4.36 3.54 8.12 0.00 -1.10 -0.30 105.19 124.84 2cub n GLY 55 Ca -0.09 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.63 3.71 -0.30 1.61 0.01 -0.44 -2.37 113.70 115.29 2cub s SER 56 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2cub s SER 56 Cb 0.00 -0.34 0.19 0.00 0.21 0.00 0.00 66.02 66.08 2cub s SER 56 CO 0.00 -0.18 0.66 -0.47 0.41 0.00 0.00 173.24 173.66 2cub s TYR 57 N -2.60 -1.56 -1.19 2.43 6.14 0.93 -2.56 117.35 118.94 2cub s TYR 57 Ca 0.32 1.31 -0.05 0.00 0.64 0.00 0.00 57.07 59.29 2cub s TYR 57 Cb 0.02 0.42 0.01 0.00 0.42 0.00 0.00 41.96 42.82 2cub s TYR 57 CO 0.16 -0.88 1.03 0.09 0.64 0.00 0.00 175.55 176.59 2cub n ASN 58 N 5.41 -4.55 0.00 4.32 3.02 -1.26 -1.74 115.26 120.47 2cub n ASN 58 Ca 0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2cub n ASN 58 Cb 0.53 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 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 -1.61 2.75 3.88 7.41 0.00 -1.26 -5.01 105.19 111.35 2cub n GLY 59 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.28 3.65 -0.11 1.61 -0.21 -0.71 -5.09 119.66 118.52 2cub s GLN 60 Ca 0.00 0.49 -0.07 0.00 0.02 0.00 0.00 55.36 55.81 2cub s GLN 60 Cb 0.00 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.78 2cub s GLN 60 CO 0.00 -0.28 0.27 0.08 -2.12 0.00 0.00 175.29 173.24 2cub s VAL 61 N -2.78 -0.03 0.02 1.09 1.01 -1.26 -0.05 120.40 118.40 2cub s VAL 61 Ca 0.52 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2cub s VAL 61 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2cub s VAL 61 CO 0.43 0.05 0.14 0.61 0.00 0.00 0.00 175.10 176.33 2cub n GLY 62 N 3.97 1.09 3.69 4.51 0.00 -1.00 -4.84 105.19 112.61 2cub n GLY 62 Ca -0.23 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.98 3.35 0.03 1.61 0.52 0.99 -2.70 118.94 117.75 2cub s TRP 63 Ca 0.03 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.38 2cub s TRP 63 Cb -0.00 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.16 2cub s TRP 63 CO 0.01 0.23 -0.03 -0.59 0.02 0.00 0.00 176.95 176.58 2cub s PHE 64 N 0.38 0.32 -0.04 -1.98 -0.12 0.13 -1.69 117.98 114.99 2cub s PHE 64 Ca 0.06 -0.59 -0.30 0.00 -0.05 0.00 0.00 56.93 56.05 2cub s PHE 64 Cb -0.12 -0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 41.99 2cub s PHE 64 CO -0.01 -0.20 1.48 -1.25 -0.05 0.00 0.00 175.22 175.19 2cub s PRO 65 N -1.78 4.23 0.25 1.99 0.04 -1.26 -1.27 135.00 137.21 2cub s PRO 65 Ca -0.13 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 2cub s PRO 65 Cb -0.08 -3.74 0.28 0.00 0.04 0.00 0.00 34.50 31.01 2cub s PRO 65 CO -0.02 -0.70 1.85 1.03 0.04 0.00 0.00 177.00 179.21 2cub h SER 66 N 8.47 1.01 -0.28 6.66 0.87 -1.90 -2.08 113.55 126.31 2cub h SER 66 Ca -0.37 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2cub h SER 66 Cb 1.17 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2cub h SER 66 CO 0.93 0.85 0.70 0.78 -0.53 0.00 0.00 176.83 179.57 2cub h ASN 67 N 1.11 0.00 0.58 6.23 2.35 -1.91 1.19 115.58 125.13 2cub h ASN 67 Ca 0.27 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.74 2cub h ASN 67 Cb 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2cub h ASN 67 CO -0.04 0.00 -1.54 1.88 -1.65 0.00 0.00 177.43 176.09 2cub h TYR 68 N 0.00 0.10 -1.52 1.19 -1.99 -1.71 -3.47 116.97 109.57 2cub h TYR 68 Ca 0.13 -0.08 -0.47 0.00 2.00 0.00 0.00 58.73 60.32 2cub h TYR 68 Cb 1.54 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.25 2cub h TYR 68 CO 0.00 1.11 -0.34 0.14 -0.00 0.00 0.00 178.16 179.07 2cub s VAL 69 N -2.62 2.86 0.00 -2.88 -7.23 0.41 0.10 120.40 111.04 2cub s VAL 69 Ca -0.05 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2cub s VAL 69 Cb 0.08 -3.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 2cub s VAL 69 CO 0.82 -0.01 0.09 0.28 -0.31 0.00 0.00 175.10 175.97 2cub s THR 70 N -2.41 0.08 -1.32 5.32 -1.32 0.20 -4.81 115.64 111.37 2cub s THR 70 Ca 0.50 -0.65 -0.18 0.00 -1.21 0.00 0.00 61.69 60.15 2cub s THR 70 Cb -0.06 -0.35 0.06 0.00 -1.51 0.00 0.00 72.50 70.64 2cub s THR 70 CO 0.30 -0.36 1.83 -0.62 -2.21 0.00 0.00 174.62 173.55 2cub n GLU 71 N 1.70 3.08 0.10 7.08 1.02 -1.26 0.10 120.64 132.46 2cub n GLU 71 Ca -0.22 -3.13 0.20 0.00 -0.02 0.00 0.00 57.16 53.98 2cub n GLU 71 Cb 0.56 -3.47 0.75 0.00 -0.02 0.00 0.00 31.44 29.26 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 7.39 0.00 -1.00 3.49 -0.00 -1.88 -2.62 114.58 119.96 2cub h GLU 72 Ca 0.46 0.00 0.20 0.00 -0.00 0.00 0.00 59.36 60.02 2cub h GLU 72 Cb 0.83 0.00 -0.19 0.00 -0.00 0.00 0.00 28.75 29.40 2cub h GLU 72 CO 1.53 0.00 -0.25 0.78 -0.00 0.00 0.00 179.01 181.06 2cub h GLY 73 N 0.00 0.70 -6.99 1.06 0.00 -1.86 -2.25 103.07 93.73 2cub h GLY 73 Ca 0.18 0.33 -0.78 0.00 0.00 0.00 0.00 47.33 47.07 2cub h GLY 73 CO -0.00 -0.37 1.28 1.22 0.00 0.00 0.00 176.54 178.66 2cub n ASP 74 N -5.62 5.61 -4.30 0.19 8.00 -0.99 -4.98 116.55 114.46 2cub n ASP 74 Ca 0.16 -3.17 -0.25 0.00 0.71 0.00 0.00 54.79 52.23 2cub n ASP 74 Cb 0.49 -1.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.05 2cub n ASP 74 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2cub s SER 75 N 0.44 2.70 -0.34 -2.24 0.15 -0.85 -5.05 113.70 108.50 2cub s SER 75 Ca 0.36 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 56.06 2cub s SER 75 Cb 0.03 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2cub s SER 75 CO 0.02 0.11 1.70 -2.16 1.20 0.00 0.00 173.24 174.11 2cub s PRO 76 N -1.78 3.42 0.23 5.44 0.04 -1.26 -4.95 135.00 136.14 2cub s PRO 76 Ca 0.08 1.32 -0.32 0.00 0.04 0.00 0.00 61.00 62.13 2cub s PRO 76 Cb -0.10 -4.15 -0.13 0.00 0.04 0.00 0.00 34.50 30.16 2cub s PRO 76 CO 0.04 -1.76 1.51 1.47 0.04 0.00 0.00 177.00 178.30 2cub n LEU 77 N 9.83 3.45 0.00 -3.56 -0.00 -1.26 -4.90 117.00 120.56 2cub n LEU 77 Ca 0.21 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 57.35 2cub n LEU 77 Cb 0.47 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 2cub n LEU 77 CO 0.69 -0.26 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2cub n GLY 78 N 2.54 0.05 3.42 1.47 0.00 -1.26 -5.11 105.19 106.30 2cub n GLY 78 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2cub n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 79 N -1.11 -2.04 -4.08 1.61 9.92 -1.26 -5.04 116.55 114.54 2cub n ASP 79 Ca 0.00 -0.23 -0.21 0.00 -0.53 0.00 0.00 54.79 53.82 2cub n ASP 79 Cb 0.00 -1.20 -0.15 0.00 -0.64 0.00 0.00 41.12 39.13 2cub n ASP 79 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2cub s HIS 80 N -2.36 1.15 0.00 1.24 3.76 -1.26 -5.15 115.29 112.67 2cub s HIS 80 Ca 0.67 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.41 2cub s HIS 80 Cb -0.24 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 2cub s HIS 80 CO 0.66 -0.03 -0.18 0.54 -0.85 0.00 0.00 174.74 174.88 2cub s VAL 81 N -0.23 1.42 0.34 -0.90 0.11 -1.26 -5.15 120.40 114.73 2cub s VAL 81 Ca 0.04 -0.85 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 2cub s VAL 81 Cb -0.06 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2cub s VAL 81 CO -0.00 0.33 0.26 0.61 -3.33 0.00 0.00 175.10 172.97 2cub n GLY 82 N 2.46 2.96 3.84 6.54 0.00 -1.26 -5.18 105.19 114.54 2cub n GLY 82 Ca -0.15 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.36 -0.16 -0.01 1.61 0.01 -1.26 -5.18 113.70 105.36 2cub s SER 83 Ca 0.37 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 2cub s SER 83 Cb 0.02 0.74 -0.00 0.00 0.21 0.00 0.00 66.02 66.99 2cub s SER 83 CO 0.26 -1.42 0.05 -0.83 0.41 0.00 0.00 173.24 171.72 2cub s GLY 84 N -2.99 0.06 1.23 3.44 0.00 -1.26 -5.16 107.32 102.64 2cub s GLY 84 Ca 0.13 -0.11 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 2cub s GLY 84 CO 0.08 -0.17 1.11 2.56 0.00 0.00 0.00 173.10 176.68 2cub s PRO 85 N -0.67 -1.48 0.07 2.90 0.04 -1.26 -5.09 135.00 129.50 2cub s PRO 85 Ca -0.07 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.54 2cub s PRO 85 Cb -0.05 -1.57 0.09 0.00 0.04 0.00 0.00 34.50 33.01 2cub s PRO 85 CO 0.00 -3.86 1.04 -1.12 0.04 0.00 0.00 177.00 173.10 2cub s SER 86 N -3.96 -0.17 -0.61 6.66 0.01 -1.26 -5.05 113.70 109.32 2cub s SER 86 Ca 0.72 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2cub s SER 86 Cb -0.08 0.37 0.44 0.00 0.21 0.00 0.00 66.02 66.96 2cub s SER 86 CO 0.56 -0.68 1.84 -1.20 0.41 0.00 0.00 173.24 174.17 2cub n SER 87 N -0.42 7.03 0.00 2.44 7.64 -1.26 -5.38 113.62 123.67 2cub n SER 87 Ca -0.07 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.03 2cub n SER 87 Cb 0.61 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64