#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub n SER 2 N 0.00 2.07 -4.07 1.61 2.88 -1.26 -2.01 113.62 112.84 2cub n SER 2 Ca 0.00 -0.11 -0.29 0.00 -1.33 0.00 0.00 58.87 57.14 2cub n SER 2 Cb 0.00 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.02 2cub n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cub n SER 3 N 13.20 -1.04 -4.57 -3.46 2.88 -1.26 -4.83 113.62 114.53 2cub n SER 3 Ca 0.42 -1.04 -0.41 0.00 -1.33 0.00 0.00 58.87 56.51 2cub n SER 3 Cb 0.38 -2.82 -0.03 0.00 -0.75 0.00 0.00 64.21 61.00 2cub n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cub s GLY 4 N -4.06 0.77 0.07 0.46 0.00 -0.85 -4.93 107.32 98.77 2cub s GLY 4 Ca 0.21 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 44.01 2cub s GLY 4 CO 0.91 2.93 0.70 1.44 0.00 0.00 0.00 173.10 179.08 2cub n SER 5 N 10.13 -0.42 -3.64 1.64 7.64 -1.26 -4.95 113.62 122.75 2cub n SER 5 Ca 0.14 0.95 -0.04 0.00 1.01 0.00 0.00 58.87 60.93 2cub n SER 5 Cb 0.49 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.33 -0.30 0.00 6.43 0.15 -1.26 -4.72 113.70 113.66 2cub s SER 6 Ca 0.66 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2cub s SER 6 Cb -0.94 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2cub s SER 6 CO 0.47 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2cub n GLY 7 N 2.61 2.53 3.76 9.45 0.00 -1.26 -5.13 105.19 117.15 2cub n GLY 7 Ca -0.14 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2cub n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cub n ASP 8 N 0.00 3.10 -2.71 1.61 9.92 -1.26 -5.01 116.55 122.20 2cub n ASP 8 Ca 0.00 1.07 -0.06 0.00 -0.53 0.00 0.00 54.79 55.27 2cub n ASP 8 Cb 0.00 -1.60 0.05 0.00 -0.64 0.00 0.00 41.12 38.93 2cub n ASP 8 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2cub n PRO 9 N -0.52 -1.44 0.00 -0.24 -0.04 -1.26 -4.85 135.00 126.65 2cub n PRO 9 Ca 0.07 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2cub n PRO 9 Cb 0.43 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 2cub n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cub n GLY 10 N 1.05 1.92 3.94 0.55 0.00 -1.26 -5.11 105.19 106.28 2cub n GLY 10 Ca 0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2cub n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cub s GLU 11 N 0.00 2.95 0.52 1.61 -1.05 -1.26 -5.07 118.70 116.40 2cub s GLU 11 Ca 0.00 -0.35 -0.19 0.00 -0.15 0.00 0.00 54.97 54.28 2cub s GLU 11 Cb 0.00 -2.45 -0.07 0.00 -0.44 0.00 0.00 34.13 31.17 2cub s GLU 11 CO 0.00 -0.47 1.04 0.50 0.95 0.00 0.00 175.26 177.28 2cub s ARG 12 N -4.73 3.64 -0.16 -4.83 3.52 -1.26 -5.05 118.95 110.07 2cub s ARG 12 Ca 0.51 1.30 -0.00 0.00 -0.13 0.00 0.00 55.73 57.41 2cub s ARG 12 Cb -0.10 -2.07 0.03 0.00 -1.56 0.00 0.00 34.95 31.25 2cub s ARG 12 CO 0.40 -0.56 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.74 2cub s LEU 13 N -3.86 1.68 0.39 -0.88 1.02 -1.26 -5.09 118.68 110.68 2cub s LEU 13 Ca 0.66 -0.61 0.04 0.00 0.02 0.00 0.00 54.13 54.24 2cub s LEU 13 Cb -0.16 -1.02 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 2cub s LEU 13 CO 0.26 -0.14 0.14 -0.72 0.02 0.00 0.00 176.35 175.91 2cub s TYR 14 N 1.57 1.77 -1.78 0.29 -0.85 -1.26 -2.22 117.35 114.87 2cub s TYR 14 Ca 0.02 -1.30 -0.17 0.00 -0.52 0.00 0.00 57.07 55.10 2cub s TYR 14 Cb -0.14 -1.10 0.17 0.00 0.38 0.00 0.00 41.96 41.26 2cub s TYR 14 CO -0.08 -0.35 0.43 -0.25 -1.52 0.00 0.00 175.55 173.78 2cub n ASP 15 N -1.25 -1.07 -0.00 -0.18 8.00 0.30 -4.82 116.55 117.54 2cub n ASP 15 Ca -0.04 -1.25 -0.12 0.00 0.71 0.00 0.00 54.79 54.09 2cub n ASP 15 Cb 0.65 -1.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.01 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 -1.16 -0.07 -0.36 0.64 4.07 -1.55 -3.48 115.31 113.40 2cub h LEU 16 Ca -0.62 -0.55 -0.12 0.00 0.08 0.00 0.00 57.88 56.68 2cub h LEU 16 Cb 1.39 0.02 0.03 0.00 1.08 0.00 0.00 40.66 43.18 2cub h LEU 16 CO 0.84 0.56 -0.18 -3.20 -1.08 0.00 0.00 178.44 175.38 2cub n ASN 17 N -4.82 -3.01 -4.59 -0.43 5.15 0.15 -5.00 115.26 102.71 2cub n ASN 17 Ca -0.08 -0.11 -0.41 0.00 -0.60 0.00 0.00 54.58 53.38 2cub n ASN 17 Cb 0.30 -1.81 -0.07 0.00 -0.53 0.00 0.00 39.78 37.67 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2cub s MET 18 N -5.03 3.89 0.00 1.20 -1.94 -0.35 -4.80 119.30 112.28 2cub s MET 18 Ca 0.12 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 53.97 2cub s MET 18 Cb -0.05 -3.72 -0.06 0.00 2.01 0.00 0.00 34.83 33.01 2cub s MET 18 CO 0.14 -0.50 1.44 -1.25 -0.01 0.00 0.00 175.02 174.85 2cub s PRO 19 N 2.42 4.26 0.38 2.03 0.04 -1.26 0.40 135.00 143.27 2cub s PRO 19 Ca 0.22 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.36 2cub s PRO 19 Cb -0.15 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 2cub s PRO 19 CO 0.11 -0.61 -0.01 0.00 0.04 0.00 0.00 177.00 176.53 2cub s ALA 20 N 2.52 3.14 -0.19 8.56 0.00 0.78 -2.05 121.76 134.52 2cub s ALA 20 Ca 0.65 -2.16 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2cub s ALA 20 Cb -0.32 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2cub s ALA 20 CO 0.27 -0.02 -0.10 -0.47 0.00 0.00 0.00 175.76 175.44 2cub s TYR 21 N -2.63 2.29 -0.47 0.00 5.04 0.60 -0.77 117.35 121.41 2cub s TYR 21 Ca 0.35 -1.49 -0.27 0.00 -2.44 0.00 0.00 57.07 53.22 2cub s TYR 21 Cb 0.05 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 2cub s TYR 21 CO 0.18 -0.72 2.03 0.08 -1.34 0.00 0.00 175.55 175.78 2cub s VAL 22 N 1.44 3.26 0.08 3.14 1.01 -0.66 -0.76 120.40 127.90 2cub s VAL 22 Ca -0.01 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2cub s VAL 22 Cb -0.16 -3.53 -0.26 0.00 0.00 0.00 0.00 36.38 32.43 2cub s VAL 22 CO -0.08 -0.46 1.17 0.11 0.00 0.00 0.00 175.10 175.84 2cub h LYS 23 N 15.70 0.48 -5.26 2.72 1.57 -0.01 -0.11 116.57 131.65 2cub h LYS 23 Ca -0.29 -0.65 -0.57 0.00 -1.87 0.00 0.00 60.65 57.27 2cub h LYS 23 Cb 1.20 0.21 -0.32 0.00 0.08 0.00 0.00 32.23 33.41 2cub h LYS 23 CO 1.13 1.27 -0.84 -0.06 -0.57 0.00 0.00 179.45 180.38 2cub s PHE 24 N -2.98 1.79 0.01 -1.35 0.08 -0.93 -4.59 117.98 110.00 2cub s PHE 24 Ca -0.07 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.13 2cub s PHE 24 Cb 0.07 -1.21 -0.07 0.00 -0.57 0.00 0.00 43.02 41.24 2cub s PHE 24 CO 0.90 -0.20 1.68 0.54 -0.10 0.00 0.00 175.22 178.04 2cub s ASN 25 N 0.12 6.63 -0.14 1.36 2.20 -1.26 -4.41 114.94 119.43 2cub s ASN 25 Ca -0.06 2.38 -0.06 0.00 -0.94 0.00 0.00 52.86 54.18 2cub s ASN 25 Cb -0.13 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.54 2cub s ASN 25 CO 0.03 -0.91 0.07 -0.47 -2.94 0.00 0.00 177.10 172.88 2cub s TYR 26 N 3.42 3.33 -0.42 1.54 6.14 -0.80 -4.89 117.35 125.66 2cub s TYR 26 Ca 0.75 0.23 -0.09 0.00 0.64 0.00 0.00 57.07 58.60 2cub s TYR 26 Cb -0.37 -1.98 0.08 0.00 0.42 0.00 0.00 41.96 40.11 2cub s TYR 26 CO 0.32 0.39 0.27 0.00 0.64 0.00 0.00 175.55 177.16 2cub s MET 27 N -0.28 2.59 0.48 4.97 0.23 -1.26 -1.61 119.30 124.41 2cub s MET 27 Ca 0.09 -1.49 -0.13 0.00 -1.03 0.00 0.00 55.69 53.12 2cub s MET 27 Cb -0.12 -3.80 -0.07 0.00 -1.53 0.00 0.00 34.83 29.32 2cub s MET 27 CO 0.01 -0.98 0.90 0.00 -2.03 0.00 0.00 175.02 172.92 2cub s ALA 28 N 1.42 3.19 0.00 3.16 0.00 -1.26 -4.99 121.76 123.28 2cub s ALA 28 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2cub s ALA 28 Cb -0.23 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2cub s ALA 28 CO 0.02 -0.19 0.00 0.39 0.00 0.00 0.00 175.76 175.98 2cub n GLU 29 N -1.58 2.38 -4.38 0.00 1.02 -1.26 -4.92 120.64 111.89 2cub n GLU 29 Ca 0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.85 2cub n GLU 29 Cb 0.54 -0.86 -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 -1.61 2.84 0.35 3.49 0.52 -1.26 -5.00 118.95 118.29 2cub s ARG 30 Ca 0.00 -0.53 0.15 0.00 -0.52 0.00 0.00 55.73 54.83 2cub s ARG 30 Cb 0.00 -2.69 1.07 0.00 0.52 0.00 0.00 34.95 33.85 2cub s ARG 30 CO 0.00 0.66 1.69 1.49 0.02 0.00 0.00 175.30 179.16 2cub h GLU 31 N 4.79 0.37 -0.36 3.54 4.81 -1.99 0.88 114.58 126.62 2cub h GLU 31 Ca -0.50 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2cub h GLU 31 Cb 1.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2cub h GLU 31 CO 0.55 0.24 0.17 -0.44 -0.73 0.00 0.00 179.01 178.81 2cub h ASP 32 N 0.38 0.43 -3.84 1.04 5.19 -1.94 -3.43 116.42 114.25 2cub h ASP 32 Ca 0.70 -0.03 -0.48 0.00 -0.62 0.00 0.00 57.03 56.59 2cub h ASP 32 Cb 1.62 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.01 2cub h ASP 32 CO -0.51 0.38 0.19 -1.61 -3.12 0.00 0.00 179.24 174.57 2cub s GLU 33 N -5.30 3.93 0.11 3.56 2.02 0.31 1.00 118.70 124.32 2cub s GLU 33 Ca -0.08 0.70 0.09 0.00 0.02 0.00 0.00 54.97 55.70 2cub s GLU 33 Cb 0.17 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2cub s GLU 33 CO 0.74 -0.02 -0.19 -1.17 0.02 0.00 0.00 175.26 174.64 2cub s LEU 34 N -3.55 2.66 -0.49 1.80 2.96 -1.20 -4.55 118.68 116.32 2cub s LEU 34 Ca 0.55 -0.55 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 2cub s LEU 34 Cb -0.10 -1.52 0.06 0.00 0.50 0.00 0.00 46.19 45.13 2cub s LEU 34 CO 0.25 0.19 0.54 -0.44 -1.32 0.00 0.00 176.35 175.57 2cub s SER 35 N -2.03 6.20 0.58 3.68 0.01 -1.26 -4.11 113.70 116.77 2cub s SER 35 Ca 0.17 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.36 2cub s SER 35 Cb -0.11 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2cub s SER 35 CO 0.09 -0.79 0.94 -0.76 0.41 0.00 0.00 173.24 173.14 2cub s LEU 36 N 2.32 3.34 -0.10 2.44 1.43 -0.63 -4.88 118.68 122.59 2cub s LEU 36 Ca 0.12 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2cub s LEU 36 Cb -0.20 -4.16 0.02 0.00 0.03 0.00 0.00 46.19 41.89 2cub s LEU 36 CO 0.11 -0.82 -0.08 -0.63 0.23 0.00 0.00 176.35 175.16 2cub s ILE 37 N -3.03 0.98 -0.20 -0.59 1.01 -1.26 -1.91 121.20 116.20 2cub s ILE 37 Ca 0.53 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2cub s ILE 37 Cb -0.11 -0.99 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 2cub s ILE 37 CO 0.50 0.35 2.17 1.17 0.00 0.00 0.00 174.94 179.14 2cub n LYS 38 N 4.75 1.97 0.00 2.79 4.81 -1.26 -2.05 118.16 129.17 2cub n LYS 38 Ca -0.14 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2cub n LYS 38 Cb 0.50 -3.08 0.00 0.00 0.02 0.00 0.00 35.03 32.47 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 5.66 1.63 2.25 3.14 0.00 -0.05 -4.91 105.19 112.91 2cub n GLY 39 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.89 0.00 -4.15 2.61 -2.24 -0.87 -5.00 114.28 103.75 2cub n THR 40 Ca 0.00 -1.55 -0.17 0.00 -2.27 0.00 0.00 64.05 60.06 2cub n THR 40 Cb 0.00 0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.08 0.48 0.41 -0.78 2.20 -1.26 -1.66 119.74 116.05 2cub s LYS 41 Ca 0.09 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 2cub s LYS 41 Cb 0.00 -0.49 -0.05 0.00 -1.51 0.00 0.00 37.83 35.78 2cub s LYS 41 CO 0.06 0.06 0.04 0.14 -0.36 0.00 0.00 175.35 175.29 2cub s VAL 42 N 0.14 1.42 -0.34 4.02 -7.23 0.05 -4.94 120.40 113.53 2cub s VAL 42 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 2cub s VAL 42 Cb -0.05 -2.69 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2cub s VAL 42 CO -0.00 0.00 0.05 -0.63 -0.31 0.00 0.00 175.10 174.20 2cub s ILE 43 N -2.97 2.29 0.11 -0.62 -1.09 -1.16 -0.15 121.20 117.61 2cub s ILE 43 Ca 0.28 -2.32 -0.31 0.00 -2.23 0.00 0.00 60.65 56.07 2cub s ILE 43 Cb 0.07 -2.68 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 2cub s ILE 43 CO 0.14 -0.58 1.73 -0.69 -1.23 0.00 0.00 174.94 174.31 2cub s VAL 44 N 0.91 2.73 -0.08 2.92 1.01 0.16 -2.32 120.40 125.73 2cub s VAL 44 Ca 0.10 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2cub s VAL 44 Cb -0.19 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 2cub s VAL 44 CO -0.08 0.00 -0.02 0.23 0.00 0.00 0.00 175.10 175.23 2cub n MET 45 N 5.42 1.67 -4.07 2.72 2.81 0.77 0.34 117.12 126.78 2cub n MET 45 Ca 0.16 0.02 -0.07 0.00 -1.81 0.00 0.00 57.70 56.00 2cub n MET 45 Cb 0.39 -1.19 -0.10 0.00 -0.71 0.00 0.00 33.22 31.60 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 -2.19 0.56 0.04 0.03 2.12 -0.02 0.11 118.70 119.35 2cub s GLU 46 Ca -0.08 -1.10 0.03 0.00 0.36 0.00 0.00 54.97 54.18 2cub s GLU 46 Cb 0.03 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 2cub s GLU 46 CO 0.27 -0.10 -0.09 0.15 -0.54 0.00 0.00 175.26 174.95 2cub s LYS 47 N -3.44 0.59 0.16 4.30 1.02 -0.94 -0.32 119.74 121.11 2cub s LYS 47 Ca 0.03 -0.73 0.09 0.00 0.02 0.00 0.00 55.97 55.37 2cub s LYS 47 Cb 0.04 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 2cub s LYS 47 CO -0.08 0.09 -0.11 0.00 -0.92 0.00 0.00 175.35 174.32 2cub h SER 49 N 3.12 -0.41 -0.84 0.00 4.64 -2.00 -3.22 113.55 114.83 2cub h SER 49 Ca -0.47 -0.14 0.28 0.00 -0.47 0.00 0.00 61.79 60.99 2cub h SER 49 Cb 1.20 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 2cub h SER 49 CO 0.52 0.02 0.17 0.47 -0.87 0.00 0.00 176.83 177.15 2cub n ASP 50 N -5.12 0.04 0.00 4.97 9.92 -1.26 -4.65 116.55 120.45 2cub n ASP 50 Ca -0.09 1.42 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 2cub n ASP 50 Cb 0.27 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 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 -1.35 0.31 3.28 0.44 0.00 -1.22 -5.15 105.19 101.50 2cub n GLY 51 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.32 2.47 0.21 1.61 0.52 -1.25 -4.20 118.94 117.98 2cub s TRP 52 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 56.10 55.48 2cub s TRP 52 Cb 0.00 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 2cub s TRP 52 CO 0.00 -0.20 0.16 -1.58 0.02 0.00 0.00 176.95 175.35 2cub s TRP 53 N -0.17 3.11 -0.14 -1.98 0.52 0.56 0.28 118.94 121.12 2cub s TRP 53 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 2cub s TRP 53 Cb -0.14 -1.44 0.04 0.00 -1.15 0.00 0.00 33.47 30.78 2cub s TRP 53 CO 0.04 0.52 -0.03 0.50 0.02 0.00 0.00 176.95 178.00 2cub s ARG 54 N -3.52 1.10 0.00 4.98 3.52 0.56 -0.01 118.95 125.58 2cub s ARG 54 Ca 0.32 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2cub s ARG 54 Cb -0.09 -1.72 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 2cub s ARG 54 CO 0.24 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 2cub n GLY 55 N 4.98 4.62 3.32 8.12 0.00 -1.18 -0.16 105.19 124.90 2cub n GLY 55 Ca -0.10 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.09 2.58 -0.29 1.61 0.15 -0.98 -3.00 113.70 113.68 2cub s SER 56 Ca 0.00 -0.86 0.01 0.00 0.70 0.00 0.00 55.95 55.80 2cub s SER 56 Cb 0.00 -0.14 0.18 0.00 -1.71 0.00 0.00 66.02 64.35 2cub s SER 56 CO 0.00 -0.06 0.54 -0.47 1.20 0.00 0.00 173.24 174.46 2cub s TYR 57 N -2.10 -1.51 -1.06 3.44 6.14 0.63 -2.96 117.35 119.93 2cub s TYR 57 Ca 0.15 1.21 -0.05 0.00 0.64 0.00 0.00 57.07 59.02 2cub s TYR 57 Cb -0.05 0.32 0.01 0.00 0.42 0.00 0.00 41.96 42.65 2cub s TYR 57 CO 0.06 -0.94 0.91 -1.71 0.64 0.00 0.00 175.55 174.51 2cub n ASN 58 N 5.41 -4.57 0.00 4.32 5.15 -1.26 -1.99 115.26 122.32 2cub n ASN 58 Ca 0.01 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 2cub n ASN 58 Cb 0.52 -4.16 0.00 0.00 -0.53 0.00 0.00 39.78 35.60 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 -1.55 2.87 3.87 8.20 0.00 -1.26 -5.00 105.19 112.32 2cub n GLY 59 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.15 3.79 -0.09 1.61 -0.21 -0.84 -5.09 119.66 118.68 2cub s GLN 60 Ca 0.00 0.60 -0.06 0.00 0.02 0.00 0.00 55.36 55.92 2cub s GLN 60 Cb 0.00 -2.30 0.03 0.00 1.00 0.00 0.00 33.01 31.75 2cub s GLN 60 CO 0.00 -0.16 0.21 0.08 -2.12 0.00 0.00 175.29 173.30 2cub s VAL 61 N -2.54 -0.02 0.00 1.09 1.01 -1.26 -0.27 120.40 118.40 2cub s VAL 61 Ca 0.53 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2cub s VAL 61 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2cub s VAL 61 CO 0.34 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2cub n GLY 62 N 3.70 1.74 3.36 4.51 0.00 -1.16 -4.81 105.19 112.52 2cub n GLY 62 Ca -0.20 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -6.17 3.09 0.10 1.61 0.52 0.28 -3.08 118.94 115.28 2cub s TRP 63 Ca 0.00 -0.83 0.07 0.00 0.02 0.00 0.00 56.10 55.36 2cub s TRP 63 Cb 0.00 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2cub s TRP 63 CO 0.00 -0.51 -0.19 -0.59 0.02 0.00 0.00 176.95 175.68 2cub s PHE 64 N 1.52 1.64 -0.10 -1.98 -0.12 0.98 -3.24 117.98 116.69 2cub s PHE 64 Ca 0.04 -0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 56.20 2cub s PHE 64 Cb -0.16 -0.90 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 2cub s PHE 64 CO 0.01 0.17 1.53 -1.25 -0.05 0.00 0.00 175.22 175.63 2cub s PRO 65 N -1.91 4.17 0.39 1.99 0.04 -1.26 -0.32 135.00 138.10 2cub s PRO 65 Ca 0.05 1.99 0.09 0.00 0.04 0.00 0.00 61.00 63.16 2cub s PRO 65 Cb -0.10 -3.92 0.85 0.00 0.04 0.00 0.00 34.50 31.38 2cub s PRO 65 CO 0.04 -0.83 1.98 0.66 0.04 0.00 0.00 177.00 178.89 2cub h SER 66 N 9.18 0.54 -0.50 6.66 4.64 -1.90 -0.63 113.55 131.53 2cub h SER 66 Ca -0.35 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.12 2cub h SER 66 Cb 1.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2cub h SER 66 CO 0.96 0.35 0.51 -1.13 -0.87 0.00 0.00 176.83 176.65 2cub h ASN 67 N 0.61 0.00 0.98 4.97 -0.73 -1.90 0.48 115.58 119.99 2cub h ASN 67 Ca 0.28 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.24 2cub h ASN 67 Cb 0.31 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 2cub h ASN 67 CO -0.09 0.00 -1.05 1.88 -0.37 0.00 0.00 177.43 177.81 2cub h TYR 68 N 0.00 0.00 -1.57 0.67 -1.99 -1.46 -3.47 116.97 109.16 2cub h TYR 68 Ca 0.24 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.48 2cub h TYR 68 Cb 1.26 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.96 2cub h TYR 68 CO 0.00 0.97 -0.37 0.14 -0.00 0.00 0.00 178.16 178.89 2cub s VAL 69 N -2.72 2.87 -0.02 -2.88 -7.23 0.17 0.71 120.40 111.30 2cub s VAL 69 Ca 0.01 -1.30 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2cub s VAL 69 Cb 0.10 -3.04 0.03 0.00 0.56 0.00 0.00 36.38 34.03 2cub s VAL 69 CO 0.82 -0.03 0.04 0.28 -0.31 0.00 0.00 175.10 175.90 2cub s THR 70 N -2.43 -0.05 -0.74 5.32 -1.32 0.06 -4.83 115.64 111.65 2cub s THR 70 Ca 0.48 0.18 -0.24 0.00 -1.21 0.00 0.00 61.69 60.89 2cub s THR 70 Cb -0.04 -0.09 -0.15 0.00 -1.51 0.00 0.00 72.50 70.70 2cub s THR 70 CO 0.28 0.07 2.41 -0.62 -2.21 0.00 0.00 174.62 174.56 2cub n GLU 71 N 3.99 0.59 -0.10 7.08 1.02 -1.26 -0.29 120.64 131.66 2cub n GLU 71 Ca -0.25 -0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 56.38 2cub n GLU 71 Cb 0.52 -3.05 -0.04 0.00 -0.02 0.00 0.00 31.44 28.85 2cub n GLU 71 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2cub h GLU 72 N 14.69 0.72 -4.80 3.49 4.81 -1.70 -3.47 114.58 128.32 2cub h GLU 72 Ca -0.08 -0.35 -0.30 0.00 -0.13 0.00 0.00 59.36 58.49 2cub h GLU 72 Cb 1.14 -0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 2cub h GLU 72 CO 1.17 0.97 -0.64 0.20 -0.73 0.00 0.00 179.01 179.98 2cub s GLY 73 N -3.63 1.43 -0.06 1.92 0.00 -1.10 -5.06 107.32 100.82 2cub s GLY 73 Ca -0.12 -1.70 -0.14 0.00 0.00 0.00 0.00 44.72 42.75 2cub s GLY 73 CO 0.83 -1.54 0.33 -0.35 0.00 0.00 0.00 173.10 172.37 2cub s ASP 74 N -3.22 -0.27 0.01 1.64 2.15 -1.26 -4.22 116.67 111.50 2cub s ASP 74 Ca 0.30 0.34 0.04 0.00 0.43 0.00 0.00 52.55 53.66 2cub s ASP 74 Cb 0.07 0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 43.13 2cub s ASP 74 CO 0.08 -0.33 -0.07 -0.44 -0.17 0.00 0.00 175.17 174.24 2cub s SER 75 N -0.75 4.58 0.08 -0.34 0.01 -1.26 -5.09 113.70 110.93 2cub s SER 75 Ca -0.08 -0.17 -0.31 0.00 1.31 0.00 0.00 55.95 56.70 2cub s SER 75 Cb -0.04 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.07 2cub s SER 75 CO 0.03 0.28 1.39 -2.16 0.41 0.00 0.00 173.24 173.18 2cub s PRO 76 N -1.46 4.32 -0.77 12.44 0.04 -1.26 -4.94 135.00 143.37 2cub s PRO 76 Ca 0.17 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 2cub s PRO 76 Cb -0.11 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2cub s PRO 76 CO 0.08 -0.46 1.72 -0.51 0.04 0.00 0.00 177.00 177.87 2cub s LEU 77 N 1.44 3.26 0.00 -3.56 1.43 -1.26 -4.72 118.68 115.27 2cub s LEU 77 Ca 0.64 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2cub s LEU 77 Cb -0.35 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2cub s LEU 77 CO 0.29 -2.27 0.00 0.61 0.23 0.00 0.00 176.35 175.21 2cub n GLY 78 N 6.10 0.39 3.63 -3.19 0.00 -1.26 -3.69 105.19 107.18 2cub n GLY 78 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2cub n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 79 N 1.00 6.81 -0.30 1.61 2.15 -1.26 -4.73 116.67 121.95 2cub s ASP 79 Ca 0.00 0.90 -0.06 0.00 0.43 0.00 0.00 52.55 53.82 2cub s ASP 79 Cb 0.00 -2.47 0.19 0.00 -0.30 0.00 0.00 42.92 40.34 2cub s ASP 79 CO 0.00 -0.70 0.86 -2.28 -0.17 0.00 0.00 175.17 172.88 2cub s HIS 80 N 3.20 -1.01 -0.25 -5.34 2.46 -1.26 -5.14 115.29 107.95 2cub s HIS 80 Ca 0.38 0.85 -0.15 0.00 0.47 0.00 0.00 55.06 56.61 2cub s HIS 80 Cb -0.14 0.27 -0.04 0.00 -0.13 0.00 0.00 32.58 32.55 2cub s HIS 80 CO 0.12 -0.57 0.39 0.08 -2.47 0.00 0.00 174.74 172.30 2cub s VAL 81 N 2.91 5.17 0.00 0.89 1.01 -1.26 -4.71 120.40 124.41 2cub s VAL 81 Ca 0.13 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2cub s VAL 81 Cb -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2cub s VAL 81 CO -0.19 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2cub n GLY 82 N 4.42 1.22 3.75 4.51 0.00 -1.26 -5.10 105.19 112.72 2cub n GLY 82 Ca -0.08 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 5.13 -0.01 1.61 0.01 -1.26 -5.02 113.70 110.16 2cub s SER 83 Ca 0.00 2.77 0.07 0.00 1.31 0.00 0.00 55.95 60.10 2cub s SER 83 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2cub s SER 83 CO 0.00 -1.66 -0.21 -0.83 0.41 0.00 0.00 173.24 170.95 2cub s GLY 84 N -0.99 1.04 0.00 3.44 0.00 -1.26 -5.01 107.32 104.55 2cub s GLY 84 Ca 0.73 -0.93 0.15 0.00 0.00 0.00 0.00 44.72 44.67 2cub s GLY 84 CO 0.47 -0.78 1.42 -1.55 0.00 0.00 0.00 173.10 172.67 2cub n PRO 85 N 2.50 0.15 -4.51 2.90 -0.04 -1.26 -4.59 135.00 130.13 2cub n PRO 85 Ca -0.15 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 2cub n PRO 85 Cb 0.53 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.32 2cub n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cub s SER 86 N -2.70 1.93 -0.10 3.54 1.04 -1.26 -4.72 113.70 111.43 2cub s SER 86 Ca 0.12 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 2cub s SER 86 Cb 0.10 -0.87 -0.05 0.00 0.10 0.00 0.00 66.02 65.30 2cub s SER 86 CO 0.24 0.02 -0.25 -1.20 0.98 0.00 0.00 173.24 173.03 2cub n SER 87 N 3.97 1.67 0.00 7.02 7.64 -1.26 -5.20 113.62 127.46 2cub n SER 87 Ca -0.21 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2cub n SER 87 Cb 0.51 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2cub n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64