#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhu n PRO 2 N 0.00 1.66 -0.00 0.00 -0.04 -1.26 -4.46 135.00 130.90 1bhu n PRO 2 Ca 0.00 -1.74 0.09 0.00 -0.04 0.00 0.00 63.50 61.81 1bhu n PRO 2 Cb 0.00 -2.79 -0.11 0.00 -0.04 0.00 0.00 33.50 30.56 1bhu n PRO 2 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bhu n SER 3 N 6.56 0.85 -4.62 3.54 7.64 -1.26 -4.78 113.62 121.54 1bhu n SER 3 Ca 0.48 -0.84 -0.29 0.00 1.01 0.00 0.00 58.87 59.22 1bhu n SER 3 Cb 0.33 1.08 0.19 0.00 -1.01 0.00 0.00 64.21 64.80 1bhu n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bhu n PRO 5 N -4.39 0.00 -3.65 0.00 -0.04 -1.26 -4.18 135.00 121.48 1bhu n PRO 5 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1bhu n PRO 5 Cb 0.55 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 1bhu n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhu s ALA 6 N -3.99 -2.22 0.00 0.55 0.00 -1.26 -3.09 121.76 111.74 1bhu s ALA 6 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1bhu s ALA 6 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1bhu s ALA 6 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1bhu n GLY 7 N 1.84 3.79 3.61 0.00 0.00 -1.26 -4.95 105.19 108.21 1bhu n GLY 7 Ca -0.11 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1bhu n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhu s SER 8 N 0.00 0.08 -1.23 1.61 0.01 -1.26 -4.13 113.70 108.78 1bhu s SER 8 Ca 0.00 -1.03 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 1bhu s SER 8 Cb 0.00 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 1bhu s SER 8 CO 0.00 -1.23 1.99 -0.11 0.41 0.00 0.00 173.24 174.29 1bhu n LEU 9 N -0.43 5.19 -4.56 2.44 7.94 0.13 -2.69 117.00 125.03 1bhu n LEU 9 Ca -0.02 -3.68 -0.40 0.00 -1.11 0.00 0.00 56.01 50.81 1bhu n LEU 9 Cb 0.61 -1.58 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 1bhu n LEU 9 CO 0.24 0.10 1.38 0.00 -1.11 0.00 0.00 177.39 178.00 1bhu s THR 11 N 5.77 4.07 0.03 0.00 -4.23 -0.01 -2.78 115.64 118.49 1bhu s THR 11 Ca 0.45 1.27 -0.28 0.00 -1.18 0.00 0.00 61.69 61.95 1bhu s THR 11 Cb -0.03 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.36 1bhu s THR 11 CO -0.00 -0.30 0.65 -0.72 -0.54 0.00 0.00 174.62 173.71 1bhu s TYR 12 N -2.10 -0.61 -0.79 3.99 1.13 -1.04 0.21 117.35 118.14 1bhu s TYR 12 Ca 0.65 0.80 0.02 0.00 -1.41 0.00 0.00 57.07 57.13 1bhu s TYR 12 Cb -0.13 0.47 0.29 0.00 -1.10 0.00 0.00 41.96 41.49 1bhu s TYR 12 CO 0.18 -0.70 1.10 -1.13 -2.51 0.00 0.00 175.55 172.49 1bhu n SER 13 N 0.39 5.02 0.00 -0.18 3.41 -0.96 -1.49 113.62 119.81 1bhu n SER 13 Ca -0.18 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 1bhu n SER 13 Cb 0.60 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1bhu n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bhu n GLY 14 N 0.65 0.00 2.50 5.00 0.00 -1.22 -3.16 105.19 108.96 1bhu n GLY 14 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1bhu n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bhu n THR 15 N 0.00 -0.49 0.00 2.61 -2.24 -1.26 -4.31 114.28 108.58 1bhu n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bhu n THR 15 Cb 0.00 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 1bhu n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bhu n GLY 16 N 2.26 1.94 2.49 3.38 0.00 -1.24 -4.46 105.19 109.55 1bhu n GLY 16 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1bhu n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bhu n LEU 17 N 0.00 -1.47 0.00 0.99 0.00 -1.26 -4.78 117.00 110.48 1bhu n LEU 17 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 56.01 56.44 1bhu n LEU 17 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 43.42 40.69 1bhu n LEU 17 CO 0.00 -0.93 0.00 -0.24 0.00 0.00 0.00 177.39 176.22 1bhu n SER 18 N -1.31 0.00 0.00 1.96 2.88 -1.26 -4.47 113.62 111.42 1bhu n SER 18 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1bhu n SER 18 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1bhu n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bhu n GLY 19 N 5.00 2.94 3.04 0.46 0.00 -1.26 -2.56 105.19 112.81 1bhu n GLY 19 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1bhu n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhu n ALA 20 N 9.21 3.94 -2.63 4.61 0.00 -1.19 -4.63 120.51 129.82 1bhu n ALA 20 Ca 0.00 -3.50 -0.43 0.00 0.00 0.00 0.00 53.44 49.51 1bhu n ALA 20 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 15.83 1bhu n ALA 20 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1bhu s ARG 21 N 4.49 4.37 0.26 0.00 1.04 -1.06 -2.27 118.95 125.78 1bhu s ARG 21 Ca 0.55 1.45 0.05 0.00 -1.04 0.00 0.00 55.73 56.73 1bhu s ARG 21 Cb 0.13 -3.57 -0.06 0.00 -2.04 0.00 0.00 34.95 29.41 1bhu s ARG 21 CO 0.05 -0.41 -0.02 0.95 -0.04 0.00 0.00 175.30 175.83 1bhu s THR 22 N 2.33 1.29 -0.03 4.99 -4.23 0.57 -4.95 115.64 115.61 1bhu s THR 22 Ca 0.49 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1bhu s THR 22 Cb -0.19 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1bhu s THR 22 CO 0.16 -0.28 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.20 1bhu s VAL 23 N -3.24 0.64 -0.41 2.29 1.01 -1.26 -0.83 120.40 118.59 1bhu s VAL 23 Ca 0.30 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1bhu s VAL 23 Cb 0.05 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.96 1bhu s VAL 23 CO 0.11 0.22 0.23 -0.63 0.00 0.00 0.00 175.10 175.03 1bhu s ILE 24 N 0.46 0.98 -1.04 2.22 -1.09 0.20 -4.90 121.20 118.02 1bhu s ILE 24 Ca -0.07 -2.27 -0.21 0.00 -2.23 0.00 0.00 60.65 55.87 1bhu s ILE 24 Cb -0.10 -1.69 -0.09 0.00 -1.58 0.00 0.00 42.46 38.99 1bhu s ILE 24 CO 0.00 -0.93 1.95 -0.81 -1.23 0.00 0.00 174.94 173.92 1bhu n PRO 25 N 3.71 1.89 -3.55 2.79 -0.04 -1.26 0.22 135.00 138.77 1bhu n PRO 25 Ca 0.10 -2.28 -0.21 0.00 -0.04 0.00 0.00 63.50 61.07 1bhu n PRO 25 Cb 0.35 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1bhu n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhu n ALA 26 N 9.40 -2.36 0.06 0.55 0.00 -1.26 -4.73 120.51 122.18 1bhu n ALA 26 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1bhu n ALA 26 Cb 0.43 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1bhu n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bhu n SER 27 N -1.82 -1.05 0.21 0.00 2.88 -1.26 -4.82 113.62 107.75 1bhu n SER 27 Ca -0.23 0.25 0.07 0.00 -1.33 0.00 0.00 58.87 57.64 1bhu n SER 27 Cb 0.52 1.28 0.44 0.00 -0.75 0.00 0.00 64.21 65.70 1bhu n SER 27 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1bhu h ASP 28 N 0.00 0.00 0.69 -3.46 3.32 -1.88 -0.51 116.42 114.58 1bhu h ASP 28 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1bhu h ASP 28 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1bhu h ASP 28 CO 0.00 0.30 -0.24 -0.03 -1.72 0.00 0.00 179.24 177.55 1bhu h MET 29 N 0.00 0.00 0.00 3.56 4.05 -1.89 -0.85 114.93 119.80 1bhu h MET 29 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1bhu h MET 29 Cb 0.73 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1bhu h MET 29 CO 0.04 0.24 0.00 -1.91 0.23 0.00 0.00 176.91 175.51 1bhu n GLU 30 N -3.55 0.13 0.00 0.39 2.13 -0.20 0.33 120.64 119.87 1bhu n GLU 30 Ca -0.01 0.27 -0.13 0.00 0.66 0.00 0.00 57.16 57.95 1bhu n GLU 30 Cb 0.39 -1.71 -0.14 0.00 0.27 0.00 0.00 31.44 30.25 1bhu n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1bhu h LYS 31 N 0.00 0.11 0.00 5.31 3.64 -1.13 -3.38 116.57 121.12 1bhu h LYS 31 Ca 0.00 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1bhu h LYS 31 Cb 0.43 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1bhu h LYS 31 CO 0.00 0.81 -0.34 0.00 -2.27 0.00 0.00 179.45 177.65 1bhu h ALA 32 N 0.67 0.03 0.00 5.00 0.00 -0.94 -3.50 119.26 120.52 1bhu h ALA 32 Ca -0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1bhu h ALA 32 Cb 2.01 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1bhu h ALA 32 CO 0.10 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1bhu n GLY 33 N 1.66 2.03 0.31 0.00 0.00 0.99 -4.55 105.19 105.64 1bhu n GLY 33 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1bhu n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bhu n THR 34 N 0.00 2.00 -3.63 2.61 -1.04 -1.17 -3.25 114.28 109.80 1bhu n THR 34 Ca 0.00 -2.67 -0.21 0.00 -2.04 0.00 0.00 64.05 59.13 1bhu n THR 34 Cb 0.00 -0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1bhu n THR 34 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1bhu n ASP 35 N -1.28 0.33 -3.89 8.00 9.92 0.29 0.25 116.55 130.17 1bhu n ASP 35 Ca 0.17 -0.81 -0.35 0.00 -0.53 0.00 0.00 54.79 53.26 1bhu n ASP 35 Cb 0.67 -1.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.02 1bhu n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bhu n GLY 36 N -1.83 0.63 0.00 0.44 0.00 -1.26 -3.21 105.19 99.96 1bhu n GLY 36 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1bhu n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bhu n VAL 37 N 7.46 0.00 -2.91 1.61 0.24 -1.20 -3.21 118.33 120.31 1bhu n VAL 37 Ca 0.46 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.33 1bhu n VAL 37 Cb 0.43 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 1bhu n VAL 37 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1bhu s LYS 38 N 1.17 3.31 -0.53 7.34 2.20 -1.26 -0.31 119.74 131.65 1bhu s LYS 38 Ca 0.00 -0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 1bhu s LYS 38 Cb 0.00 -4.04 0.08 0.00 -1.51 0.00 0.00 37.83 32.36 1bhu s LYS 38 CO 0.00 -1.38 0.61 -1.17 -0.36 0.00 0.00 175.35 173.05 1bhu s LEU 39 N 3.62 5.26 0.00 5.43 2.96 -0.97 -4.77 118.68 130.22 1bhu s LEU 39 Ca 0.28 -1.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.00 1bhu s LEU 39 Cb -0.14 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1bhu s LEU 39 CO 0.18 -0.93 0.00 -0.81 -1.32 0.00 0.00 176.35 173.48 1bhu n PRO 40 N 6.04 -0.15 0.00 0.98 -0.04 -1.25 -4.23 135.00 136.34 1bhu n PRO 40 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1bhu n PRO 40 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1bhu n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhu n ALA 41 N -3.00 1.26 -1.53 0.55 0.00 -1.23 -4.14 120.51 112.42 1bhu n ALA 41 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1bhu n ALA 41 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1bhu n ALA 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bhu n SER 42 N -1.71 2.00 -3.19 0.00 3.41 -1.26 -0.31 113.62 112.56 1bhu n SER 42 Ca 0.00 -0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.28 1bhu n SER 42 Cb 0.00 -1.40 0.07 0.00 -0.26 0.00 0.00 64.21 62.62 1bhu n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bhu n ALA 43 N 13.42 -1.44 -2.66 7.33 0.00 -1.26 -4.91 120.51 130.99 1bhu n ALA 43 Ca 0.43 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 54.01 1bhu n ALA 43 Cb 0.38 -3.68 0.11 0.00 0.00 0.00 0.00 19.45 16.26 1bhu n ALA 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bhu n ARG 44 N -4.15 0.10 0.00 0.00 3.00 0.58 -3.85 116.66 112.35 1bhu n ARG 44 Ca -0.11 -0.64 0.00 0.00 -0.00 0.00 0.00 57.85 57.09 1bhu n ARG 44 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1bhu n ARG 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bhu n SER 45 N 0.41 0.00 0.00 6.15 2.88 -1.09 -3.54 113.62 118.43 1bhu n SER 45 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1bhu n SER 45 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1bhu n SER 45 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1bhu n PHE 46 N 0.00 0.00 -3.90 0.66 -1.74 -1.16 -2.51 117.46 108.80 1bhu n PHE 46 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.54 1bhu n PHE 46 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 1bhu n PHE 46 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bhu s ALA 47 N -2.00 3.91 -1.15 1.98 0.00 -1.12 0.19 121.76 123.57 1bhu s ALA 47 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1bhu s ALA 47 Cb 0.00 -1.91 0.25 0.00 0.00 0.00 0.00 23.12 21.46 1bhu s ALA 47 CO 0.00 0.69 1.36 -1.71 0.00 0.00 0.00 175.76 176.10 1bhu n ASN 48 N 1.39 5.63 -1.95 0.00 2.85 0.83 -2.83 115.26 121.18 1bhu n ASN 48 Ca -0.15 -3.12 -0.09 0.00 -0.11 0.00 0.00 54.58 51.11 1bhu n ASN 48 Cb 0.54 -1.41 -0.13 0.00 1.24 0.00 0.00 39.78 40.02 1bhu n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bhu n GLY 49 N 2.67 2.73 0.00 8.20 0.00 -1.10 -2.45 105.19 115.25 1bhu n GLY 49 Ca 0.29 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1bhu n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bhu n THR 50 N 2.35 0.00 -1.16 2.61 -2.24 -0.83 -4.48 114.28 110.54 1bhu n THR 50 Ca 0.32 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.87 1bhu n THR 50 Cb 0.77 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 69.17 1bhu n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bhu n HIS 51 N 2.64 2.98 0.00 4.78 -0.00 -1.26 -3.99 115.22 120.37 1bhu n HIS 51 Ca 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 57.72 55.91 1bhu n HIS 51 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 29.99 29.06 1bhu n HIS 51 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 1bhu n PHE 52 N -1.09 0.00 0.00 -1.40 -1.74 -1.24 -3.84 117.46 108.15 1bhu n PHE 52 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.47 1bhu n PHE 52 Cb 1.63 0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.63 1bhu n PHE 52 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1bhu n THR 53 N 0.00 0.00 -2.74 1.97 -1.04 0.20 -3.85 114.28 108.82 1bhu n THR 53 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1bhu n THR 53 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1bhu n THR 53 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1bhu s LEU 54 N 0.00 3.92 -0.50 -4.42 0.05 -1.15 -2.42 118.68 114.16 1bhu s LEU 54 Ca 0.00 -0.82 -0.18 0.00 0.05 0.00 0.00 54.13 53.18 1bhu s LEU 54 Cb 0.00 -2.47 0.07 0.00 -2.05 0.00 0.00 46.19 41.74 1bhu s LEU 54 CO 0.00 -1.58 0.55 -0.13 -0.55 0.00 0.00 176.35 174.63 1bhu s ARG 55 N 4.68 3.06 0.25 1.48 0.52 -1.17 -0.02 118.95 127.74 1bhu s ARG 55 Ca 0.28 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1bhu s ARG 55 Cb -0.13 -4.13 -0.01 0.00 0.52 0.00 0.00 34.95 31.20 1bhu s ARG 55 CO 0.11 -1.18 0.05 2.48 0.02 0.00 0.00 175.30 176.78 1bhu n TYR 56 N 5.80 0.30 0.00 -0.53 4.11 -1.26 0.15 117.16 125.73 1bhu n TYR 56 Ca -0.09 -1.43 0.00 0.00 -0.00 0.00 0.00 57.90 56.38 1bhu n TYR 56 Cb 0.44 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.71 1bhu n TYR 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bhu n GLY 57 N 1.00 0.15 3.68 -7.48 0.00 -1.18 0.12 105.19 101.50 1bhu n GLY 57 Ca -0.06 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1bhu n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bhu s PRO 58 N -2.00 4.21 0.02 1.61 0.04 -1.26 -1.33 135.00 136.29 1bhu s PRO 58 Ca 0.00 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1bhu s PRO 58 Cb 0.00 -3.67 -0.07 0.00 0.04 0.00 0.00 34.50 30.80 1bhu s PRO 58 CO 0.00 -0.73 1.64 0.00 0.04 0.00 0.00 177.00 177.95 1bhu s ALA 59 N 2.88 3.65 -0.27 8.56 0.00 -1.23 -4.71 121.76 130.64 1bhu s ALA 59 Ca 0.72 1.10 0.19 0.00 0.00 0.00 0.00 51.96 53.97 1bhu s ALA 59 Cb -0.37 -3.71 0.46 0.00 0.00 0.00 0.00 23.12 19.50 1bhu s ALA 59 CO 0.31 -1.19 1.27 0.54 0.00 0.00 0.00 175.76 176.68 1bhu n ARG 60 N 6.13 1.48 -3.20 0.00 1.74 -0.51 -4.96 116.66 117.34 1bhu n ARG 60 Ca 0.16 -2.55 -0.23 0.00 -0.77 0.00 0.00 57.85 54.46 1bhu n ARG 60 Cb 0.42 -0.75 -0.06 0.00 -1.02 0.00 0.00 32.46 31.04 1bhu n ARG 60 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bhu n LYS 61 N -0.89 0.88 0.22 5.56 4.76 -1.23 -4.83 118.16 122.64 1bhu n LYS 61 Ca -0.03 -3.35 0.12 0.00 -2.87 0.00 0.00 58.31 52.19 1bhu n LYS 61 Cb 0.84 -1.37 0.22 0.00 -1.84 0.00 0.00 35.03 32.88 1bhu n LYS 61 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1bhu h VAL 62 N 1.89 0.02 -0.09 -0.18 2.07 -1.94 -3.39 116.25 114.64 1bhu h VAL 62 Ca 0.08 -0.97 -0.70 0.00 0.82 0.00 0.00 66.70 65.93 1bhu h VAL 62 Cb 0.88 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1bhu h VAL 62 CO 0.49 0.01 3.00 1.07 0.02 0.00 0.00 177.57 182.16 1bhu n THR 63 N -3.10 3.41 -2.15 2.57 5.66 -1.26 -4.95 114.28 114.46 1bhu n THR 63 Ca 0.04 -3.04 -0.26 0.00 -3.05 0.00 0.00 64.05 57.73 1bhu n THR 63 Cb 0.51 -2.57 0.07 0.00 -1.55 0.00 0.00 70.33 66.79 1bhu n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bhu h VAL 65 N -0.66 1.51 0.00 0.00 2.07 -1.92 -3.43 116.25 113.81 1bhu h VAL 65 Ca -0.45 -2.44 -0.10 0.00 0.82 0.00 0.00 66.70 64.54 1bhu h VAL 65 Cb 1.31 3.09 -0.10 0.00 -1.52 0.00 0.00 31.29 34.08 1bhu h VAL 65 CO 0.61 0.69 -0.20 -2.11 0.02 0.00 0.00 177.57 176.58 1bhu n ARG 66 N -4.16 0.24 0.00 1.57 1.85 -1.26 -5.01 116.66 109.88 1bhu n ARG 66 Ca -0.13 -0.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1bhu n ARG 66 Cb 0.78 0.45 0.00 0.00 -1.05 0.00 0.00 32.46 32.64 1bhu n ARG 66 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1bhu n PHE 67 N -0.27 0.00 -0.47 2.89 7.35 -1.26 -4.99 117.46 120.71 1bhu n PHE 67 Ca -0.18 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.38 1bhu n PHE 67 Cb 0.62 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.43 1bhu n PHE 67 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1bhu n PRO 68 N 0.00 1.26 -4.45 -7.13 -0.04 -1.26 -4.84 135.00 118.53 1bhu n PRO 68 Ca 0.00 -0.98 -0.34 0.00 -0.04 0.00 0.00 63.50 62.13 1bhu n PRO 68 Cb 0.00 -2.18 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 1bhu n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bhu n TYR 70 N 2.10 0.01 -1.36 0.00 4.01 -1.20 -3.63 117.16 117.10 1bhu n TYR 70 Ca -0.18 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1bhu n TYR 70 Cb 0.53 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1bhu n TYR 70 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bhu n GLN 71 N -0.24 -1.62 -0.19 -0.72 1.13 -1.26 -4.37 117.38 110.09 1bhu n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1bhu n GLN 71 Cb 0.13 -3.05 0.00 0.00 0.11 0.00 0.00 30.24 27.43 1bhu n GLN 71 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1bhu n TYR 72 N -1.28 -0.07 -2.09 1.08 4.11 -1.26 -1.43 117.16 116.22 1bhu n TYR 72 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.91 1bhu n TYR 72 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.53 1bhu n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1bhu n ALA 73 N -3.00 2.08 -2.12 -3.48 0.00 -1.26 -4.91 120.51 107.82 1bhu n ALA 73 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1bhu n ALA 73 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1bhu n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bhu n THR 74 N 0.09-12.78 0.34 0.00 -2.24 -1.26 -4.97 114.28 93.46 1bhu n THR 74 Ca 0.01 3.08 0.04 0.00 -2.27 0.00 0.00 64.05 64.91 1bhu n THR 74 Cb 0.77 -5.64 0.02 0.00 -2.10 0.00 0.00 70.33 63.38 1bhu n THR 74 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bhu n VAL 75 N 1.74 0.00 0.00 2.28 0.31 0.33 -4.93 118.33 118.06 1bhu n VAL 75 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1bhu n VAL 75 Cb 0.00 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 1bhu n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bhu n GLY 76 N 0.56 3.30 3.84 2.92 0.00 -1.20 -4.99 105.19 109.61 1bhu n GLY 76 Ca 0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1bhu n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bhu s LYS 77 N -1.37 3.34 -0.46 1.61 -2.85 -1.26 -4.09 119.74 114.65 1bhu s LYS 77 Ca 0.00 0.93 0.03 0.00 -1.00 0.00 0.00 55.97 55.93 1bhu s LYS 77 Cb 0.00 -2.04 0.14 0.00 -2.06 0.00 0.00 37.83 33.87 1bhu s LYS 77 CO 0.00 -0.78 0.28 0.08 0.10 0.00 0.00 175.35 175.03 1bhu s VAL 78 N -2.94 1.33 0.00 1.79 1.01 0.97 -4.96 120.40 117.60 1bhu s VAL 78 Ca 0.58 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.85 1bhu s VAL 78 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1bhu s VAL 78 CO 0.49 -0.96 0.60 0.00 0.00 0.00 0.00 175.10 175.23 1bhu n ALA 79 N 3.30 -0.06 -2.10 5.51 0.00 -1.26 -2.94 120.51 122.96 1bhu n ALA 79 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1bhu n ALA 79 Cb 0.37 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1bhu n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bhu s PRO 80 N -1.42 2.61 -0.56 0.00 0.04 -1.25 -3.62 135.00 130.80 1bhu s PRO 80 Ca 0.00 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.10 1bhu s PRO 80 Cb 0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1bhu s PRO 80 CO 0.00 -3.68 0.00 0.41 0.04 0.00 0.00 177.00 173.77 1bhu n GLY 81 N 6.13 0.20 2.29 0.56 0.00 -1.16 0.13 105.19 113.34 1bhu n GLY 81 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1bhu n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhu n ALA 82 N -1.01 -0.24 0.00 4.61 0.00 -1.20 -4.34 120.51 118.34 1bhu n ALA 82 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1bhu n ALA 82 Cb 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1bhu n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bhu n GLN 83 N -2.45 0.00 -5.22 0.00 6.02 0.34 -5.03 117.38 111.04 1bhu n GLN 83 Ca -0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.56 1bhu n GLN 83 Cb 0.46 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.56 1bhu n GLN 83 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1bhu s LEU 84 N 0.00 2.05 0.00 1.08 2.34 -0.24 -4.85 118.68 119.07 1bhu s LEU 84 Ca 0.00 -0.49 -0.01 0.00 0.06 0.00 0.00 54.13 53.69 1bhu s LEU 84 Cb 0.00 -1.32 -0.04 0.00 -0.56 0.00 0.00 46.19 44.27 1bhu s LEU 84 CO 0.00 0.24 1.99 -2.11 -1.06 0.00 0.00 176.35 175.41 1bhu n ARG 85 N 2.93 1.02 -2.78 1.48 1.85 -1.22 -2.98 116.66 116.95 1bhu n ARG 85 Ca -0.17 -0.13 -0.03 0.00 -1.00 0.00 0.00 57.85 56.51 1bhu n ARG 85 Cb 0.52 -1.19 0.01 0.00 -1.05 0.00 0.00 32.46 30.76 1bhu n ARG 85 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1bhu s SER 86 N 2.02 -1.13 0.11 2.89 0.15 -1.03 -1.96 113.70 114.76 1bhu s SER 86 Ca 0.09 -1.24 -0.24 0.00 0.70 0.00 0.00 55.95 55.26 1bhu s SER 86 Cb 0.04 1.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.91 1bhu s SER 86 CO 0.00 -0.05 1.13 -1.48 1.20 0.00 0.00 173.24 174.04 1bhu s LEU 87 N 1.04 0.00 -0.24 3.45 2.34 -1.15 -4.86 118.68 119.26 1bhu s LEU 87 Ca 0.26 -0.51 -0.29 0.00 0.06 0.00 0.00 54.13 53.66 1bhu s LEU 87 Cb 0.03 1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 47.45 1bhu s LEU 87 CO -0.07 -0.74 1.59 -2.16 -1.06 0.00 0.00 176.35 173.91 1bhu s PRO 88 N -2.12 3.77 0.03 1.48 0.04 -1.18 0.29 135.00 137.31 1bhu s PRO 88 Ca 0.24 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 1bhu s PRO 88 Cb -0.02 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 1bhu s PRO 88 CO 0.03 -1.33 0.66 0.45 0.04 0.00 0.00 177.00 176.86 1bhu s SER 89 N 4.22 7.09 0.00 6.66 0.15 0.49 -4.58 113.70 127.73 1bhu s SER 89 Ca 0.70 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1bhu s SER 89 Cb -0.24 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1bhu s SER 89 CO 0.29 0.10 0.00 -0.81 1.20 0.00 0.00 173.24 174.02 1bhu n PRO 90 N 2.57 3.24 0.00 5.44 -0.04 -1.26 -2.99 135.00 141.95 1bhu n PRO 90 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1bhu n PRO 90 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1bhu n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bhu n GLY 91 N 5.00 -1.45 1.60 0.55 0.00 -1.26 -4.85 105.19 104.78 1bhu n GLY 91 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 1bhu n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhu n ALA 92 N 0.00 -3.07 -1.33 4.61 0.00 -1.26 -4.44 120.51 115.01 1bhu n ALA 92 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1bhu n ALA 92 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1bhu n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bhu n THR 93 N 0.18 0.00 -4.49 0.00 -1.04 -1.26 -4.91 114.28 102.76 1bhu n THR 93 Ca -0.04 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 1bhu n THR 93 Cb 0.07 -1.10 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 1bhu n THR 93 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bhu s VAL 94 N -1.97 3.82 0.53 12.58 0.11 -1.26 -3.48 120.40 130.74 1bhu s VAL 94 Ca 0.00 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1bhu s VAL 94 Cb 0.00 -2.62 -0.03 0.00 -1.53 0.00 0.00 36.38 32.20 1bhu s VAL 94 CO 0.00 0.50 0.85 0.28 -3.33 0.00 0.00 175.10 173.40 1bhu s THR 95 N -0.92 4.57 -0.27 5.04 -1.32 -0.44 -2.28 115.64 120.02 1bhu s THR 95 Ca 0.15 0.26 -0.17 0.00 -1.21 0.00 0.00 61.69 60.72 1bhu s THR 95 Cb -0.11 -3.77 0.08 0.00 -1.51 0.00 0.00 72.50 67.19 1bhu s THR 95 CO 0.05 -0.80 0.67 -0.69 -2.21 0.00 0.00 174.62 171.63 1bhu s VAL 96 N -2.87 -0.00 -1.23 5.08 1.01 0.57 -3.09 120.40 119.87 1bhu s VAL 96 Ca 0.50 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1bhu s VAL 96 Cb -0.10 -0.96 0.17 0.00 0.00 0.00 0.00 36.38 35.48 1bhu s VAL 96 CO 0.46 0.00 1.59 0.61 0.00 0.00 0.00 175.10 177.76 1bhu n GLY 97 N 3.94 3.86 3.62 4.51 0.00 0.40 -3.27 105.19 118.25 1bhu n GLY 97 Ca -0.19 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1bhu n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bhu s GLN 98 N 1.14 3.56 -0.14 1.61 -1.52 0.71 -3.03 119.66 121.99 1bhu s GLN 98 Ca 0.42 1.82 0.03 0.00 -1.95 0.00 0.00 55.36 55.67 1bhu s GLN 98 Cb 0.01 -4.18 0.01 0.00 -0.22 0.00 0.00 33.01 28.64 1bhu s GLN 98 CO 0.00 -1.59 -0.22 0.34 -0.25 0.00 0.00 175.29 173.58 1bhu s ASP 99 N 5.72 3.15 -0.44 5.90 -1.08 -1.01 -0.55 116.67 128.34 1bhu s ASP 99 Ca 0.83 -0.59 0.05 0.00 -0.52 0.00 0.00 52.55 52.32 1bhu s ASP 99 Cb -0.29 -1.45 0.42 0.00 -1.46 0.00 0.00 42.92 40.14 1bhu s ASP 99 CO 0.33 0.09 1.11 -0.11 0.52 0.00 0.00 175.17 177.12 1bhu n LEU 100 N 3.99 4.73 0.00 -1.34 7.94 -1.20 -0.63 117.00 130.49 1bhu n LEU 100 Ca -0.20 -5.22 0.00 0.00 -1.11 0.00 0.00 56.01 49.48 1bhu n LEU 100 Cb 0.52 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1bhu n LEU 100 CO 0.27 2.24 0.00 0.61 -1.11 0.00 0.00 177.39 179.40 1bhu n GLY 101 N -0.48 2.37 2.60 -3.96 0.00 -1.26 -4.13 105.19 100.33 1bhu n GLY 101 Ca 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1bhu n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66