#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdo n HIS 0 N nan 0.00 -3.00 1.61 8.25 -1.26 -5.24 115.22 nan 2fdo n HIS 0 Ca nan 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 nan 2fdo n HIS 0 Cb nan 0.00 0.01 0.00 1.12 0.00 0.00 29.99 nan 2fdo n HIS 0 CO nan 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 nan 2fdo s PRO 2 N 4.64 3.00 0.17 -0.41 0.02 -1.26 -5.26 135.00 135.91 2fdo s PRO 2 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 61.00 60.13 2fdo s PRO 2 Cb 0.00 -2.58 -0.07 0.00 0.02 0.00 0.00 34.50 31.86 2fdo s PRO 2 CO 0.00 -0.29 0.99 0.00 -0.33 0.00 0.00 177.00 177.38 2fdo s ALA 3 N -2.53 3.31 -0.29 -1.55 0.00 -1.26 -5.04 121.76 114.40 2fdo s ALA 3 Ca 0.49 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.14 2fdo s ALA 3 Cb -0.10 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.82 2fdo s ALA 3 CO 0.37 -0.00 -0.04 0.71 0.00 0.00 0.00 175.76 176.80 2fdo s TYR 4 N -0.47 3.23 -0.12 0.00 1.51 -1.26 -5.05 117.35 115.20 2fdo s TYR 4 Ca 0.46 -2.45 0.02 0.00 -1.01 0.00 0.00 57.07 54.09 2fdo s TYR 4 Cb -0.26 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.38 2fdo s TYR 4 CO 0.32 -0.89 -0.18 0.08 -1.11 0.00 0.00 175.55 173.78 2fdo s VAL 5 N 1.10 2.60 -0.06 0.71 1.01 -1.26 -5.08 120.40 119.43 2fdo s VAL 5 Ca -0.01 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2fdo s VAL 5 Cb -0.19 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2fdo s VAL 5 CO -0.07 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 2fdo s PHE 6 N 0.41 2.39 0.87 5.22 0.40 -1.26 0.17 117.98 126.16 2fdo s PHE 6 Ca -0.13 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.38 2fdo s PHE 6 Cb -0.17 -1.57 0.12 0.00 0.51 0.00 0.00 43.02 41.92 2fdo s PHE 6 CO 0.06 -0.21 1.16 -1.54 0.70 0.00 0.00 175.22 175.40 2fdo s SER 7 N -0.17 3.25 0.18 1.36 1.04 0.25 -4.73 113.70 114.89 2fdo s SER 7 Ca -0.03 2.23 -0.13 0.00 0.48 0.00 0.00 55.95 58.50 2fdo s SER 7 Cb -0.13 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.59 2fdo s SER 7 CO 0.03 -2.89 1.72 0.07 0.98 0.00 0.00 173.24 173.16 2fdo h LYS 8 N -1.48 0.25 -0.87 4.02 -0.00 -1.99 0.12 116.57 116.62 2fdo h LYS 8 Ca -0.44 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.18 2fdo h LYS 8 Cb 1.28 -0.06 -0.04 0.00 -0.00 0.00 0.00 32.23 33.41 2fdo h LYS 8 CO 0.44 0.17 0.49 0.93 -0.00 0.00 0.00 179.45 181.48 2fdo h GLU 9 N 0.26 1.20 0.00 0.07 5.08 -1.94 -1.34 114.58 117.91 2fdo h GLU 9 Ca 0.24 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2fdo h GLU 9 Cb 0.31 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2fdo h GLU 9 CO -0.30 0.87 -0.52 0.77 -1.00 0.00 0.00 179.01 178.83 2fdo h SER 10 N 1.21 0.00 -0.45 1.42 0.02 -1.71 -1.33 113.55 112.70 2fdo h SER 10 Ca 0.31 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.14 2fdo h SER 10 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2fdo h SER 10 CO -0.05 0.52 -0.17 0.15 -1.14 0.00 0.00 176.83 176.14 2fdo h PHE 11 N 0.00 1.03 -0.87 3.45 3.57 -0.47 -0.54 116.94 123.11 2fdo h PHE 11 Ca -0.01 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.27 2fdo h PHE 11 Cb 1.07 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2fdo h PHE 11 CO 0.00 1.03 0.57 -0.07 -2.23 0.00 0.00 178.31 177.61 2fdo h LEU 12 N 0.74 0.97 -0.24 0.59 3.38 -0.99 -1.60 115.31 118.16 2fdo h LEU 12 Ca 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2fdo h LEU 12 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2fdo h LEU 12 CO 0.06 0.69 0.06 0.11 0.09 0.00 0.00 178.44 179.44 2fdo h LYS 13 N 1.14 0.39 -0.42 1.13 1.57 -1.10 -1.46 116.57 117.82 2fdo h LYS 13 Ca 0.33 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 2fdo h LYS 13 Cb -0.08 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.11 2fdo h LYS 13 CO -0.09 0.50 -0.03 0.35 -0.57 0.00 0.00 179.45 179.61 2fdo h PHE 14 N 0.22 -0.08 -0.47 -1.35 3.57 -0.89 -0.83 116.94 117.12 2fdo h PHE 14 Ca 0.08 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2fdo h PHE 14 Cb 0.28 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2fdo h PHE 14 CO 0.01 -0.11 0.21 -0.07 -2.23 0.00 0.00 178.31 176.12 2fdo h LEU 15 N 0.08 0.27 -0.85 0.59 3.38 -1.16 -2.26 115.31 115.35 2fdo h LEU 15 Ca 0.21 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2fdo h LEU 15 Cb 0.30 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2fdo h LEU 15 CO -0.37 0.19 0.55 -0.08 0.09 0.00 0.00 178.44 178.83 2fdo h GLU 16 N 0.41 1.13 0.00 1.13 4.57 -0.28 -0.08 114.58 121.46 2fdo h GLU 16 Ca 0.21 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2fdo h GLU 16 Cb 0.16 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2fdo h GLU 16 CO -0.18 0.76 -0.18 0.78 -1.18 0.00 0.00 179.01 179.01 2fdo h GLY 17 N 1.16 0.00 -0.93 1.92 0.00 -1.06 -3.27 103.07 100.89 2fdo h GLY 17 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2fdo h GLY 17 CO -0.07 0.00 -0.21 1.42 0.00 0.00 0.00 176.54 177.68 2fdo n HIS 18 N -4.01 0.00 -3.24 5.60 8.25 -0.18 -4.83 115.22 116.81 2fdo n HIS 18 Ca -0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.00 2fdo n HIS 18 Cb 0.26 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 2fdo n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fdo s LEU 19 N -1.79 5.19 0.84 2.41 1.43 -0.41 -5.04 118.68 121.30 2fdo s LEU 19 Ca 0.15 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 2fdo s LEU 19 Cb 0.13 -2.36 0.10 0.00 0.03 0.00 0.00 46.19 44.09 2fdo s LEU 19 CO 0.33 -0.81 1.14 -1.83 0.23 0.00 0.00 176.35 175.41 2fdo s GLU 20 N 2.29 1.63 0.10 1.70 4.04 -1.26 -4.97 118.70 122.23 2fdo s GLU 20 Ca 0.11 1.45 -0.26 0.00 0.04 0.00 0.00 54.97 56.31 2fdo s GLU 20 Cb -0.21 -1.80 -0.11 0.00 0.02 0.00 0.00 34.13 32.02 2fdo s GLU 20 CO 0.10 -2.16 1.67 -0.44 -1.84 0.00 0.00 175.26 172.59 2fdo h ASP 21 N -1.36 -0.49 -0.64 0.83 3.45 -1.99 -3.12 116.42 113.10 2fdo h ASP 21 Ca -0.44 0.05 -0.30 0.00 0.43 0.00 0.00 57.03 56.77 2fdo h ASP 21 Cb 1.26 0.17 -0.18 0.00 -0.56 0.00 0.00 39.33 40.02 2fdo h ASP 21 CO 0.46 -0.27 0.38 -0.90 -1.57 0.00 0.00 179.24 177.34 2fdo n ASP 22 N -5.31 3.64 -4.96 6.45 3.85 -1.26 -4.97 116.55 113.99 2fdo n ASP 22 Ca -0.08 -3.03 -0.22 0.00 -0.71 0.00 0.00 54.79 50.75 2fdo n ASP 22 Cb 0.22 -0.72 -0.01 0.00 -1.35 0.00 0.00 41.12 39.26 2fdo n ASP 22 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2fdo s VAL 23 N -2.26 5.07 0.32 2.12 -7.23 -1.18 -5.12 120.40 112.12 2fdo s VAL 23 Ca 0.39 -0.77 0.10 0.00 -1.81 0.00 0.00 61.98 59.89 2fdo s VAL 23 Cb 0.32 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.39 2fdo s VAL 23 CO 0.08 -0.41 -0.10 0.68 -0.31 0.00 0.00 175.10 175.05 2fdo s VAL 24 N -2.14 2.46 -0.25 1.32 -7.23 -1.26 -5.00 120.40 108.29 2fdo s VAL 24 Ca 0.38 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2fdo s VAL 24 Cb -0.09 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2fdo s VAL 24 CO 0.32 -0.27 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.13 2fdo s VAL 25 N -2.55 3.37 -0.13 1.32 1.01 -1.26 -5.08 120.40 117.08 2fdo s VAL 25 Ca 0.32 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 2fdo s VAL 25 Cb -0.01 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2fdo s VAL 25 CO 0.17 0.28 0.73 -0.69 0.00 0.00 0.00 175.10 175.59 2fdo s VAL 26 N 1.44 4.98 -0.11 2.92 1.01 -1.26 -5.05 120.40 124.33 2fdo s VAL 26 Ca 0.03 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2fdo s VAL 26 Cb -0.16 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2fdo s VAL 26 CO -0.02 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.32 2fdo s VAL 27 N 1.56 2.45 -0.07 2.92 1.01 -1.26 -5.10 120.40 121.91 2fdo s VAL 27 Ca 0.36 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2fdo s VAL 27 Cb -0.17 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2fdo s VAL 27 CO 0.14 0.55 -0.15 -0.55 0.00 0.00 0.00 175.10 175.09 2fdo s SER 28 N 0.28 2.08 -0.18 3.32 0.15 -1.26 -4.97 113.70 113.12 2fdo s SER 28 Ca -0.14 -0.36 0.16 0.00 0.70 0.00 0.00 55.95 56.31 2fdo s SER 28 Cb -0.17 -0.92 0.63 0.00 -1.71 0.00 0.00 66.02 63.85 2fdo s SER 28 CO 0.07 0.07 1.54 -1.54 1.20 0.00 0.00 173.24 174.59 2fdo n SER 29 N 3.68 4.52 -4.49 5.45 3.41 -1.26 -4.89 113.62 120.04 2fdo n SER 29 Ca -0.22 -2.85 -0.44 0.00 -0.26 0.00 0.00 58.87 55.11 2fdo n SER 29 Cb 0.52 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2fdo n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fdo s ASP 30 N -1.38 6.99 -0.34 4.04 2.15 -1.26 -4.97 116.67 121.90 2fdo s ASP 30 Ca 0.46 -2.81 -0.29 0.00 0.43 0.00 0.00 52.55 50.34 2fdo s ASP 30 Cb 0.35 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 40.54 2fdo s ASP 30 CO 0.14 -0.86 1.19 -0.69 -0.17 0.00 0.00 175.17 174.77 2fdo s VAL 31 N 2.24 4.29 -0.97 1.11 1.01 -1.26 -1.48 120.40 125.34 2fdo s VAL 31 Ca 0.45 1.45 0.23 0.00 0.00 0.00 0.00 61.98 64.10 2fdo s VAL 31 Cb -0.01 -4.33 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 2fdo s VAL 31 CO 0.01 -0.57 1.16 0.35 0.00 0.00 0.00 175.10 176.05 2fdo n THR 32 N 6.20 0.01 -3.56 3.92 -2.24 0.54 -4.95 114.28 114.20 2fdo n THR 32 Ca 0.13 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2fdo n THR 32 Cb 0.47 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 2fdo n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fdo s ASP 33 N -3.07 -0.37 -0.24 3.42 -1.08 -1.23 -5.00 116.67 109.09 2fdo s ASP 33 Ca 0.09 0.32 -0.18 0.00 -0.52 0.00 0.00 52.55 52.26 2fdo s ASP 33 Cb 0.17 0.32 0.07 0.00 -1.46 0.00 0.00 42.92 42.01 2fdo s ASP 33 CO 0.78 -0.39 0.62 0.12 0.52 0.00 0.00 175.17 176.81 2fdo s PHE 34 N -1.52 -0.79 0.18 -5.34 5.36 -1.26 -1.55 117.98 113.07 2fdo s PHE 34 Ca -0.00 1.76 -0.23 0.00 -0.96 0.00 0.00 56.93 57.51 2fdo s PHE 34 Cb -0.01 0.36 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 2fdo s PHE 34 CO -0.00 -0.39 1.03 0.00 -1.46 0.00 0.00 175.22 174.40 2fdo s LYS 36 N -2.31 1.53 0.04 0.00 1.02 -1.26 0.11 119.74 118.88 2fdo s LYS 36 Ca 0.21 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 2fdo s LYS 36 Cb -0.02 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2fdo s LYS 36 CO 0.05 0.44 0.02 0.15 -0.92 0.00 0.00 175.35 175.09 2fdo s LYS 37 N -1.41 0.57 0.16 1.68 1.02 -0.42 -4.97 119.74 116.37 2fdo s LYS 37 Ca 0.10 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.16 2fdo s LYS 37 Cb -0.10 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 2fdo s LYS 37 CO 0.03 -0.12 0.18 -0.51 -0.92 0.00 0.00 175.35 174.00 2fdo s LEU 38 N -2.46 3.96 -0.13 3.17 1.43 -1.26 -1.00 118.68 122.39 2fdo s LEU 38 Ca -0.00 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2fdo s LEU 38 Cb 0.02 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.72 2fdo s LEU 38 CO -0.07 0.07 0.34 -0.94 0.23 0.00 0.00 176.35 175.97 2fdo s SER 39 N -3.13 -0.37 0.53 2.29 1.04 -0.26 -4.97 113.70 108.83 2fdo s SER 39 Ca 0.32 0.70 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 2fdo s SER 39 Cb -0.10 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 2fdo s SER 39 CO 0.25 -0.14 1.14 -1.83 0.98 0.00 0.00 173.24 173.64 2fdo s GLU 40 N 0.54 3.42 0.00 4.02 1.03 -1.26 -1.46 118.70 124.99 2fdo s GLU 40 Ca -0.03 1.67 0.00 0.00 0.03 0.00 0.00 54.97 56.64 2fdo s GLU 40 Cb -0.05 -2.09 0.00 0.00 -0.80 0.00 0.00 34.13 31.19 2fdo s GLU 40 CO -0.03 -0.81 0.00 -1.13 -1.33 0.00 0.00 175.26 171.96 2fdo n SER 41 N -1.13 0.00 -0.65 0.83 3.41 -1.26 -4.92 113.62 109.90 2fdo n SER 41 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2fdo n SER 41 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2fdo n SER 41 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2fdo n VAL 43 N 0.00 0.00 0.00 -3.33 0.24 -1.26 -4.78 118.33 109.20 2fdo n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2fdo n VAL 43 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2fdo n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fdo n GLY 44 N -0.21 -1.01 3.77 7.63 0.00 -1.26 -4.95 105.19 109.15 2fdo n GLY 44 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2fdo n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fdo s GLU 45 N -1.15 4.41 0.21 1.61 2.12 -1.26 -4.66 118.70 119.98 2fdo s GLU 45 Ca 0.00 2.03 0.03 0.00 0.36 0.00 0.00 54.97 57.38 2fdo s GLU 45 Cb 0.00 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 2fdo s GLU 45 CO 0.00 -0.07 0.00 0.15 -0.54 0.00 0.00 175.26 174.80 2fdo s LYS 46 N -1.74 1.25 -0.04 4.30 1.02 -0.54 -4.96 119.74 119.04 2fdo s LYS 46 Ca 0.48 -1.62 0.06 0.00 0.02 0.00 0.00 55.97 54.91 2fdo s LYS 46 Cb -0.36 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.47 2fdo s LYS 46 CO 0.47 -0.11 -0.21 -2.00 -0.92 0.00 0.00 175.35 172.57 2fdo s GLU 47 N -3.89 1.99 0.08 1.68 2.12 -1.26 -1.10 118.70 118.32 2fdo s GLU 47 Ca 0.27 -0.76 0.07 0.00 0.36 0.00 0.00 54.97 54.91 2fdo s GLU 47 Cb 0.06 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 2fdo s GLU 47 CO 0.07 0.38 -0.19 0.71 -0.54 0.00 0.00 175.26 175.69 2fdo s TYR 48 N -0.25 1.63 0.06 5.30 1.51 -0.17 -4.97 117.35 120.45 2fdo s TYR 48 Ca 0.01 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.60 2fdo s TYR 48 Cb -0.11 -0.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2fdo s TYR 48 CO 0.01 0.14 0.32 0.00 -1.11 0.00 0.00 175.55 174.91 2fdo s PHE 50 N -1.41 2.00 -0.08 0.00 0.40 0.12 -4.98 117.98 114.02 2fdo s PHE 50 Ca 0.32 -1.01 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2fdo s PHE 50 Cb -0.13 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.95 2fdo s PHE 50 CO 0.19 -0.55 -0.12 0.00 0.70 0.00 0.00 175.22 175.45 2fdo s ALA 51 N 1.23 1.33 -0.06 5.36 0.00 -1.26 -1.84 121.76 126.51 2fdo s ALA 51 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2fdo s ALA 51 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2fdo s ALA 51 CO -0.05 -0.01 -0.19 -2.00 0.00 0.00 0.00 175.76 173.51 2fdo s GLU 52 N 0.90 2.59 0.05 0.00 2.12 -0.59 -5.03 118.70 118.74 2fdo s GLU 52 Ca -0.10 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.50 2fdo s GLU 52 Cb -0.15 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 2fdo s GLU 52 CO 0.01 0.49 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.01 2fdo s PHE 53 N -0.39 1.27 0.07 5.30 0.40 -1.26 -0.34 117.98 123.02 2fdo s PHE 53 Ca 0.04 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2fdo s PHE 53 Cb -0.12 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 2fdo s PHE 53 CO 0.02 0.05 -0.03 0.00 0.70 0.00 0.00 175.22 175.96 2fdo s ALA 54 N -0.98 3.17 -0.21 5.36 0.00 -0.55 -4.89 121.76 123.66 2fdo s ALA 54 Ca 0.01 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2fdo s ALA 54 Cb -0.09 -1.13 0.09 0.00 0.00 0.00 0.00 23.12 21.99 2fdo s ALA 54 CO 0.02 0.67 0.80 -0.59 0.00 0.00 0.00 175.76 176.65 2fdo s PHE 55 N -1.22 -0.66 0.41 0.00 -0.12 -1.26 -4.49 117.98 110.65 2fdo s PHE 55 Ca 0.23 1.46 -0.26 0.00 -0.05 0.00 0.00 56.93 58.31 2fdo s PHE 55 Cb -0.11 0.34 -0.09 0.00 -0.63 0.00 0.00 43.02 42.53 2fdo s PHE 55 CO 0.15 -0.40 1.32 -1.25 -0.05 0.00 0.00 175.22 174.99 2fdo s PRO 56 N -0.18 3.93 0.42 1.99 0.04 -1.26 -4.89 135.00 135.05 2fdo s PRO 56 Ca -0.02 2.20 0.23 0.00 0.04 0.00 0.00 61.00 63.44 2fdo s PRO 56 Cb -0.03 -2.74 0.41 0.00 0.04 0.00 0.00 34.50 32.18 2fdo s PRO 56 CO 0.02 -0.54 1.63 0.00 0.04 0.00 0.00 177.00 178.14 2fdo h ALA 57 N 2.62 0.94 0.00 8.56 0.00 -2.01 -3.36 119.26 126.03 2fdo h ALA 57 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2fdo h ALA 57 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fdo h ALA 57 CO 0.62 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 2fdo n ASP 58 N -3.13 0.00 0.07 0.00 5.75 -1.26 -1.45 116.55 116.53 2fdo n ASP 58 Ca 0.03 0.45 0.12 0.00 -0.01 0.00 0.00 54.79 55.38 2fdo n ASP 58 Cb 0.54 -0.47 0.14 0.00 -1.03 0.00 0.00 41.12 40.30 2fdo n ASP 58 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 2fdo h ILE 59 N 0.00 0.00 -3.24 2.12 3.07 -1.98 -3.45 117.51 114.03 2fdo h ILE 59 Ca 0.00 -0.57 -0.60 0.00 1.55 0.00 0.00 64.86 65.25 2fdo h ILE 59 Cb 0.12 1.14 -0.10 0.00 -0.27 0.00 0.00 36.82 37.71 2fdo h ILE 59 CO 0.00 0.00 -0.34 -0.36 -1.05 0.00 0.00 178.15 176.40 2fdo s PHE 60 N -3.20 3.48 -1.18 0.16 0.40 -0.53 -4.98 117.98 112.14 2fdo s PHE 60 Ca 0.05 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.86 2fdo s PHE 60 Cb 0.13 -2.30 0.22 0.00 0.51 0.00 0.00 43.02 41.57 2fdo s PHE 60 CO 0.73 0.29 1.34 -0.40 0.70 0.00 0.00 175.22 177.88 2fdo n ASP 61 N 3.39 5.38 -3.62 1.36 5.68 -1.26 -4.95 116.55 122.52 2fdo n ASP 61 Ca -0.13 -3.02 -0.11 0.00 -0.50 0.00 0.00 54.79 51.03 2fdo n ASP 61 Cb 0.52 -1.48 -0.07 0.00 -1.14 0.00 0.00 41.12 38.95 2fdo n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fdo s ALA 62 N 0.26 -1.89 0.89 2.12 0.00 -1.26 -5.14 121.76 116.74 2fdo s ALA 62 Ca 0.38 1.88 -0.12 0.00 0.00 0.00 0.00 51.96 54.10 2fdo s ALA 62 Cb -0.05 -1.22 0.17 0.00 0.00 0.00 0.00 23.12 22.02 2fdo s ALA 62 CO -0.03 -0.28 1.23 0.16 0.00 0.00 0.00 175.76 176.84 2fdo s ASP 63 N 0.11 3.54 0.11 0.00 1.47 -1.26 -4.85 116.67 115.79 2fdo s ASP 63 Ca 0.01 0.16 -0.20 0.00 1.18 0.00 0.00 52.55 53.70 2fdo s ASP 63 Cb -0.04 -0.33 -0.08 0.00 -0.34 0.00 0.00 42.92 42.13 2fdo s ASP 63 CO -0.02 -2.44 1.72 -0.08 0.68 0.00 0.00 175.17 175.02 2fdo h GLU 64 N -1.32 0.26 -0.13 2.11 4.81 -2.02 -0.57 114.58 117.72 2fdo h GLU 64 Ca -0.43 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 2fdo h GLU 64 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2fdo h GLU 64 CO 0.41 0.23 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.15 2fdo h ASP 65 N 0.21 0.26 0.02 1.04 3.32 -1.98 0.33 116.42 119.63 2fdo h ASP 65 Ca 0.07 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2fdo h ASP 65 Cb 0.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2fdo h ASP 65 CO -0.01 0.59 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.76 2fdo h GLU 66 N 0.22 -0.03 -0.21 3.56 5.08 -1.81 -0.81 114.58 120.59 2fdo h GLU 66 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2fdo h GLU 66 Cb 0.71 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2fdo h GLU 66 CO 0.05 0.01 -0.07 0.82 -1.00 0.00 0.00 179.01 178.83 2fdo h ILE 67 N -0.06 1.17 -0.67 3.13 2.04 -0.70 -1.86 117.51 120.56 2fdo h ILE 67 Ca -0.00 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 2fdo h ILE 67 Cb 0.05 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2fdo h ILE 67 CO 0.01 0.23 0.32 -0.78 0.00 0.00 0.00 178.15 177.93 2fdo h ASP 68 N 0.31 0.86 0.00 1.72 1.82 -0.68 -3.49 116.42 116.96 2fdo h ASP 68 Ca 0.07 -0.09 -0.40 0.00 -0.39 0.00 0.00 57.03 56.22 2fdo h ASP 68 Cb 0.33 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 2fdo h ASP 68 CO 0.02 0.73 2.07 1.21 -1.61 0.00 0.00 179.24 181.65 2fdo n GLU 69 N -4.34 2.47 0.00 0.28 4.07 -0.33 -5.08 120.64 117.70 2fdo n GLU 69 Ca 0.06 -1.48 0.00 0.00 -0.06 0.00 0.00 57.16 55.68 2fdo n GLU 69 Cb 0.13 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 2fdo n GLU 69 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2fdo n LYS 72 N 3.44 0.00 -3.81 5.31 2.85 -1.26 -5.10 118.16 119.59 2fdo n LYS 72 Ca 0.53 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.66 2fdo n LYS 72 Cb 0.37 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.65 2fdo n LYS 72 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2fdo s TYR 73 N -2.21 -0.11 0.04 5.58 1.51 -1.26 -5.15 117.35 115.74 2fdo s TYR 73 Ca 0.00 0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 56.16 2fdo s TYR 73 Cb 0.00 0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.83 2fdo s TYR 73 CO 0.00 -0.29 0.36 0.00 -1.11 0.00 0.00 175.55 174.51 2fdo s ALA 74 N -1.00 3.75 -0.00 3.71 0.00 -1.26 -5.09 121.76 121.86 2fdo s ALA 74 Ca -0.11 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2fdo s ALA 74 Cb -0.05 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2fdo s ALA 74 CO 0.02 0.57 -0.08 0.96 0.00 0.00 0.00 175.76 177.23 2fdo s ILE 75 N -1.29 0.59 -0.04 0.00 -4.36 -1.26 -5.13 121.20 109.70 2fdo s ILE 75 Ca 0.29 -0.35 0.01 0.00 -0.26 0.00 0.00 60.65 60.35 2fdo s ILE 75 Cb -0.14 -0.50 0.02 0.00 1.25 0.00 0.00 42.46 43.08 2fdo s ILE 75 CO 0.16 0.15 -0.06 -0.69 0.24 0.00 0.00 174.94 174.74 2fdo s VAL 76 N -0.22 0.60 -0.34 8.37 1.01 -1.26 -5.12 120.40 123.45 2fdo s VAL 76 Ca 0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2fdo s VAL 76 Cb -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 2fdo s VAL 76 CO -0.00 0.23 0.42 -0.36 0.00 0.00 0.00 175.10 175.39 2fdo s PHE 77 N 0.77 3.20 -0.19 5.22 0.40 -1.26 -5.05 117.98 121.08 2fdo s PHE 77 Ca -0.11 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 2fdo s PHE 77 Cb -0.14 -2.76 0.04 0.00 0.51 0.00 0.00 43.02 40.68 2fdo s PHE 77 CO 0.01 -0.46 -0.09 0.08 0.70 0.00 0.00 175.22 175.46 2fdo s VAL 78 N 2.16 1.53 0.44 -0.44 1.01 -1.26 -5.11 120.40 118.74 2fdo s VAL 78 Ca 0.15 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 2fdo s VAL 78 Cb -0.16 -1.63 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 2fdo s VAL 78 CO 0.12 0.17 1.09 -0.62 0.00 0.00 0.00 175.10 175.86 2fdo n GLU 79 N 4.72 1.48 -0.20 2.72 4.71 -1.26 -4.94 120.64 127.88 2fdo n GLU 79 Ca -0.14 0.53 -0.01 0.00 -0.01 0.00 0.00 57.16 57.53 2fdo n GLU 79 Cb 0.47 -2.16 0.22 0.00 -1.01 0.00 0.00 31.44 28.95 2fdo n GLU 79 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2fdo h LYS 80 N 1.59 0.96 -0.09 3.49 1.57 -1.99 -1.67 116.57 120.43 2fdo h LYS 80 Ca -0.46 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.25 2fdo h LYS 80 Cb 1.33 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2fdo h LYS 80 CO 0.57 0.70 0.53 0.93 -0.57 0.00 0.00 179.45 181.61 2fdo h GLU 81 N 0.97 0.00 -0.70 3.15 3.07 -2.02 -2.73 114.58 116.32 2fdo h GLU 81 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2fdo h GLU 81 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2fdo h GLU 81 CO -0.04 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.20 2fdo n LYS 82 N -2.91 2.83 -3.55 2.33 4.01 -0.63 -4.93 118.16 115.32 2fdo n LYS 82 Ca 0.01 -2.58 -0.32 0.00 -0.51 0.00 0.00 58.31 54.91 2fdo n LYS 82 Cb 0.59 -1.61 -0.05 0.00 -0.51 0.00 0.00 35.03 33.45 2fdo n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2fdo s LEU 83 N -1.15 4.22 1.07 -0.35 1.43 -1.03 -5.03 118.68 117.84 2fdo s LEU 83 Ca 0.48 0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.14 2fdo s LEU 83 Cb 0.26 -3.48 0.23 0.00 0.03 0.00 0.00 46.19 43.23 2fdo s LEU 83 CO 0.30 -0.01 1.20 -0.94 0.23 0.00 0.00 176.35 177.13 2fdo s SER 84 N -2.43 2.09 0.24 2.29 1.04 -1.26 -4.86 113.70 110.81 2fdo s SER 84 Ca 0.44 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 2fdo s SER 84 Cb -0.12 -0.75 0.39 0.00 0.10 0.00 0.00 66.02 65.65 2fdo s SER 84 CO 0.23 -3.39 1.82 -0.08 0.98 0.00 0.00 173.24 172.80 2fdo h GLU 85 N -2.08 0.80 -0.81 4.02 4.81 -1.99 -0.68 114.58 118.64 2fdo h GLU 85 Ca -0.45 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2fdo h GLU 85 Cb 1.28 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2fdo h GLU 85 CO 0.39 0.53 0.36 0.00 -0.73 0.00 0.00 179.01 179.56 2fdo h ALA 86 N 1.45 1.09 -0.12 2.92 0.00 -1.99 0.35 119.26 122.96 2fdo h ALA 86 Ca 0.39 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2fdo h ALA 86 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2fdo h ALA 86 CO -0.24 0.66 -0.40 0.78 0.00 0.00 0.00 179.25 180.06 2fdo h GLY 87 N 1.18 0.27 0.90 0.00 0.00 -1.78 -2.77 103.07 100.88 2fdo h GLY 87 Ca 0.28 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2fdo h GLY 87 CO -0.03 0.23 -0.29 3.21 0.00 0.00 0.00 176.54 179.67 2fdo h ARG 88 N 0.21 0.59 -0.17 4.80 3.08 -0.59 -3.14 114.38 119.17 2fdo h ARG 88 Ca 0.02 -0.34 0.05 0.00 0.07 0.00 0.00 59.98 59.78 2fdo h ARG 88 Cb 0.80 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2fdo h ARG 88 CO 0.06 0.94 0.18 -0.91 -1.07 0.00 0.00 179.97 179.17 2fdo h ASN 89 N 0.29 0.00 0.36 7.04 2.35 -0.75 -2.93 115.58 121.94 2fdo h ASN 89 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2fdo h ASN 89 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2fdo h ASN 89 CO 0.07 0.00 -0.48 0.00 -1.65 0.00 0.00 177.43 175.37 2fdo n ALA 90 N -2.34 3.54 -2.07 -0.83 0.00 -1.06 -4.93 120.51 112.81 2fdo n ALA 90 Ca 0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2fdo n ALA 90 Cb 0.30 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2fdo n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fdo s ILE 91 N -2.84 3.45 -2.13 0.00 1.01 -1.11 -4.08 121.20 115.50 2fdo s ILE 91 Ca 0.15 0.80 0.31 0.00 0.00 0.00 0.00 60.65 61.91 2fdo s ILE 91 Cb 0.18 -3.52 0.82 0.00 0.01 0.00 0.00 42.46 39.95 2fdo s ILE 91 CO 0.66 -0.02 2.11 0.54 0.00 0.00 0.00 174.94 178.23