#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkb s TRP 5 N 0.00 3.39 0.00 5.64 -0.00 -1.26 -5.25 118.94 121.46 1bkb s TRP 5 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.07 1bkb s TRP 5 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 33.47 31.93 1bkb s TRP 5 CO 0.00 0.46 0.00 1.33 -0.00 0.00 0.00 176.95 178.74 1bkb n VAL 6 N -1.34 0.00 -4.09 5.86 0.24 -1.26 -5.29 118.33 112.45 1bkb n VAL 6 Ca -0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.87 1bkb n VAL 6 Cb 0.57 -0.66 -0.14 0.00 -1.47 0.00 0.00 33.84 32.14 1bkb n VAL 6 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1bkb s SER 8 N -4.56 4.37 0.25 -1.34 0.01 -1.26 -5.22 113.70 105.95 1bkb s SER 8 Ca 0.00 -0.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.61 1bkb s SER 8 Cb 0.00 -1.74 -0.12 0.00 0.21 0.00 0.00 66.02 64.37 1bkb s SER 8 CO 0.00 0.03 1.62 0.41 0.41 0.00 0.00 173.24 175.71 1bkb n THR 9 N 4.45 0.59 -3.93 1.44 -1.04 -1.26 -4.99 114.28 109.54 1bkb n THR 9 Ca -0.18 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.05 61.32 1bkb n THR 9 Cb 0.51 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 1bkb n THR 9 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1bkb s LYS 10 N 0.18 3.44 0.19 -2.82 2.20 -1.26 -5.05 119.74 116.63 1bkb s LYS 10 Ca 0.69 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 1bkb s LYS 10 Cb -0.53 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1bkb s LYS 10 CO 0.42 0.73 -0.04 0.71 -0.36 0.00 0.00 175.35 176.82 1bkb s TYR 11 N -0.90 1.41 0.10 4.03 1.51 -1.26 -1.17 117.35 121.08 1bkb s TYR 11 Ca 0.14 -0.87 -0.12 0.00 -1.01 0.00 0.00 57.07 55.21 1bkb s TYR 11 Cb -0.12 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1bkb s TYR 11 CO 0.03 -0.02 0.28 0.14 -1.11 0.00 0.00 175.55 174.88 1bkb s VAL 12 N -3.41 0.11 0.29 0.71 -7.23 -0.87 -4.92 120.40 105.07 1bkb s VAL 12 Ca 0.24 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 59.20 1bkb s VAL 12 Cb 0.05 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 1bkb s VAL 12 CO 0.05 -0.51 0.99 -1.61 -0.31 0.00 0.00 175.10 173.72 1bkb s GLU 13 N -3.84 4.66 0.32 4.82 2.02 -1.26 -0.88 118.70 124.54 1bkb s GLU 13 Ca 0.04 1.53 0.09 0.00 0.02 0.00 0.00 54.97 56.65 1bkb s GLU 13 Cb 0.04 -3.06 0.82 0.00 0.10 0.00 0.00 34.13 32.03 1bkb s GLU 13 CO -0.11 0.31 1.78 0.00 0.02 0.00 0.00 175.26 177.25 1bkb h ALA 14 N 3.64 1.78 0.00 5.21 0.00 -1.09 0.82 119.26 129.62 1bkb h ALA 14 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bkb h ALA 14 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bkb h ALA 14 CO 0.66 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1bkb n GLY 15 N -1.35 -0.92 0.05 0.00 0.00 0.34 -2.03 105.19 101.28 1bkb n GLY 15 Ca 0.24 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1bkb n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bkb n GLU 16 N -1.95 0.30 -2.07 1.61 1.02 0.28 -4.94 120.64 114.89 1bkb n GLU 16 Ca 0.01 0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 1bkb n GLU 16 Cb 0.10 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 29.91 1bkb n GLU 16 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bkb s LEU 17 N -4.10 3.66 0.17 -4.62 1.43 -0.86 -5.05 118.68 109.31 1bkb s LEU 17 Ca 0.05 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1bkb s LEU 17 Cb 0.14 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 1bkb s LEU 17 CO 0.76 -1.46 0.15 -0.54 0.23 0.00 0.00 176.35 175.50 1bkb s LYS 18 N -3.42 1.10 0.22 1.70 1.02 -1.26 -5.05 119.74 114.05 1bkb s LYS 18 Ca 0.74 -1.43 -0.32 0.00 0.02 0.00 0.00 55.97 54.98 1bkb s LYS 18 Cb -0.26 0.29 -0.13 0.00 -0.52 0.00 0.00 37.83 37.21 1bkb s LYS 18 CO 0.32 -0.36 1.54 0.39 -0.92 0.00 0.00 175.35 176.32 1bkb n GLU 19 N -0.19 2.30 0.00 1.68 1.02 -1.26 -0.78 120.64 123.41 1bkb n GLU 19 Ca -0.03 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1bkb n GLU 19 Cb 0.64 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1bkb n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bkb n GLY 20 N 2.78 2.24 3.76 0.62 0.00 -0.01 -5.00 105.19 109.57 1bkb n GLY 20 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1bkb n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bkb s SER 21 N -1.40 4.06 -0.04 1.61 0.01 0.04 -4.70 113.70 113.29 1bkb s SER 21 Ca 0.00 1.48 0.05 0.00 1.31 0.00 0.00 55.95 58.79 1bkb s SER 21 Cb 0.00 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1bkb s SER 21 CO 0.00 -2.26 -0.19 -0.31 0.41 0.00 0.00 173.24 170.88 1bkb s TYR 22 N -3.01 2.55 0.06 2.43 1.51 -1.26 -0.56 117.35 119.07 1bkb s TYR 22 Ca 0.62 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 56.30 1bkb s TYR 22 Cb -0.16 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1bkb s TYR 22 CO 0.56 0.07 0.13 0.14 -1.11 0.00 0.00 175.55 175.33 1bkb s VAL 23 N -0.61 0.14 -0.22 0.71 -7.23 -0.16 -4.42 120.40 108.61 1bkb s VAL 23 Ca 0.09 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1bkb s VAL 23 Cb -0.11 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 1bkb s VAL 23 CO 0.00 -0.65 0.08 -0.69 -0.31 0.00 0.00 175.10 173.53 1bkb s VAL 24 N -3.20 4.58 -0.16 1.32 1.01 0.14 0.92 120.40 125.02 1bkb s VAL 24 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1bkb s VAL 24 Cb 0.02 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1bkb s VAL 24 CO -0.07 0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 1bkb s ILE 25 N 1.12 1.63 -1.41 2.22 1.01 -0.56 -4.55 121.20 120.67 1bkb s ILE 25 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1bkb s ILE 25 Cb -0.14 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1bkb s ILE 25 CO 0.03 0.44 0.39 0.47 0.00 0.00 0.00 174.94 176.27 1bkb n ASP 26 N 4.75 -0.21 0.00 3.58 8.00 -1.26 -1.77 116.55 129.64 1bkb n ASP 26 Ca -0.17 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1bkb n ASP 26 Cb 0.50 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 1bkb n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bkb n GLY 27 N -2.03 1.55 3.39 0.44 0.00 -1.26 -5.02 105.19 102.26 1bkb n GLY 27 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1bkb n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bkb s GLU 28 N -0.04 3.48 0.09 1.61 2.56 -0.73 -5.08 118.70 120.59 1bkb s GLU 28 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 54.97 54.06 1bkb s GLU 28 Cb 0.00 -2.92 -0.07 0.00 2.00 0.00 0.00 34.13 33.15 1bkb s GLU 28 CO 0.00 0.02 1.27 -1.25 -0.56 0.00 0.00 175.26 174.74 1bkb s PRO 29 N 0.91 4.40 0.12 4.30 0.04 -1.26 -1.49 135.00 142.02 1bkb s PRO 29 Ca -0.01 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.96 1bkb s PRO 29 Cb -0.15 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1bkb s PRO 29 CO 0.01 -0.31 -0.11 0.00 0.04 0.00 0.00 177.00 176.63 1bkb s ARG 31 N -3.10 4.17 0.02 0.00 3.52 0.01 -0.98 118.95 122.58 1bkb s ARG 31 Ca 0.10 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 1bkb s ARG 31 Cb -0.01 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1bkb s ARG 31 CO 0.01 0.25 1.29 0.08 -0.81 0.00 0.00 175.30 176.12 1bkb s VAL 32 N 0.51 3.89 -0.04 7.11 1.01 0.28 -1.00 120.40 132.16 1bkb s VAL 32 Ca 0.08 1.30 0.13 0.00 0.00 0.00 0.00 61.98 63.50 1bkb s VAL 32 Cb -0.12 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.23 1bkb s VAL 32 CO -0.00 0.04 0.25 1.33 0.00 0.00 0.00 175.10 176.72 1bkb n VAL 33 N 4.34 0.16 -3.58 2.92 0.24 0.09 -0.83 118.33 121.68 1bkb n VAL 33 Ca 0.11 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1bkb n VAL 33 Cb 0.45 0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 1bkb n VAL 33 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1bkb s GLU 34 N -2.83 0.87 -0.02 7.34 -1.05 -1.04 -4.90 118.70 117.07 1bkb s GLU 34 Ca -0.05 0.55 0.01 0.00 -0.15 0.00 0.00 54.97 55.33 1bkb s GLU 34 Cb 0.08 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 1bkb s GLU 34 CO 0.56 -0.20 -0.03 0.42 0.95 0.00 0.00 175.26 176.96 1bkb s ILE 35 N -0.47 0.30 -0.01 1.83 1.01 -1.26 -0.74 121.20 121.86 1bkb s ILE 35 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1bkb s ILE 35 Cb -0.02 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1bkb s ILE 35 CO 0.04 0.14 -0.22 -0.70 0.00 0.00 0.00 174.94 174.20 1bkb s GLU 36 N 0.53 1.73 0.11 2.79 2.12 -0.27 -4.96 118.70 120.75 1bkb s GLU 36 Ca -0.06 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.57 1bkb s GLU 36 Cb -0.09 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 1bkb s GLU 36 CO -0.01 0.46 -0.15 0.15 -0.54 0.00 0.00 175.26 175.18 1bkb s LYS 37 N -0.56 1.94 0.22 4.30 -0.14 -1.26 -0.16 119.74 124.08 1bkb s LYS 37 Ca 0.08 -1.10 -0.15 0.00 -1.36 0.00 0.00 55.97 53.43 1bkb s LYS 37 Cb -0.08 -2.20 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1bkb s LYS 37 CO -0.01 0.49 0.50 -1.54 -0.76 0.00 0.00 175.35 174.04 1bkb s SER 38 N -2.14 -0.17 -0.29 2.83 1.04 -0.67 -4.98 113.70 109.32 1bkb s SER 38 Ca 0.19 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 56.00 1bkb s SER 38 Cb -0.11 0.58 0.19 0.00 0.10 0.00 0.00 66.02 66.78 1bkb s SER 38 CO 0.11 -1.09 0.55 -0.75 0.98 0.00 0.00 173.24 173.04 1bkb s LYS 39 N -3.93 0.53 -0.08 4.02 2.20 -1.26 -0.58 119.74 120.63 1bkb s LYS 39 Ca 0.14 0.51 0.12 0.00 -0.36 0.00 0.00 55.97 56.38 1bkb s LYS 39 Cb -0.01 0.16 -0.24 0.00 -1.51 0.00 0.00 37.83 36.24 1bkb s LYS 39 CO 0.02 -1.01 0.52 0.25 -0.36 0.00 0.00 175.35 174.78 1bkb n THR 40 N 5.41 1.58 -2.71 3.43 -2.24 -1.26 -4.88 114.28 113.60 1bkb n THR 40 Ca 0.04 -0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 1bkb n THR 40 Cb 0.53 -0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1bkb n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bkb s GLY 41 N -5.23 2.11 0.29 3.38 0.00 -1.26 -4.93 107.32 101.68 1bkb s GLY 41 Ca -0.07 0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.94 1bkb s GLY 41 CO 0.82 1.96 1.69 1.70 0.00 0.00 0.00 173.10 179.27 1bkb h LYS 42 N 7.25 0.37 0.00 2.90 3.64 -1.99 -1.32 116.57 127.41 1bkb h LYS 42 Ca -0.27 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1bkb h LYS 42 Cb 1.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1bkb h LYS 42 CO 0.89 0.24 -0.12 0.72 -2.27 0.00 0.00 179.45 178.91 1bkb n HIS 43 N -5.06 0.00 -2.30 1.91 8.25 -1.26 -5.06 115.22 111.69 1bkb n HIS 43 Ca 0.22 -0.90 -0.17 0.00 -0.26 0.00 0.00 57.72 56.61 1bkb n HIS 43 Cb 0.66 -0.14 0.10 0.00 1.12 0.00 0.00 29.99 31.73 1bkb n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bkb n GLY 44 N -1.19 0.20 3.85 -1.41 0.00 -0.50 -5.08 105.19 101.06 1bkb n GLY 44 Ca 0.14 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1bkb n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bkb s SER 45 N -3.98 6.75 0.53 1.61 1.04 -1.26 -4.87 113.70 113.53 1bkb s SER 45 Ca 0.48 1.19 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 1bkb s SER 45 Cb -0.02 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 1bkb s SER 45 CO 0.32 -0.15 1.06 0.00 0.98 0.00 0.00 173.24 175.45 1bkb s ALA 46 N -1.90 2.80 0.19 5.32 0.00 -1.26 -4.74 121.76 122.17 1bkb s ALA 46 Ca 0.51 0.57 0.10 0.00 0.00 0.00 0.00 51.96 53.14 1bkb s ALA 46 Cb -0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1bkb s ALA 46 CO 0.19 -0.56 -0.17 0.15 0.00 0.00 0.00 175.76 175.37 1bkb s LYS 47 N -3.53 1.77 -0.03 0.00 -0.14 0.25 -1.13 119.74 116.93 1bkb s LYS 47 Ca 0.67 -1.42 0.06 0.00 -1.36 0.00 0.00 55.97 53.91 1bkb s LYS 47 Cb -0.17 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1bkb s LYS 47 CO 0.27 0.41 -0.21 0.00 -0.76 0.00 0.00 175.35 175.06 1bkb s ALA 48 N -1.72 1.76 -0.27 5.17 0.00 0.55 -1.66 121.76 125.59 1bkb s ALA 48 Ca 0.23 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1bkb s ALA 48 Cb -0.08 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1bkb s ALA 48 CO 0.12 0.38 -0.05 0.50 0.00 0.00 0.00 175.76 176.71 1bkb s ARG 49 N -0.26 2.59 -0.14 0.00 3.52 0.77 -1.70 118.95 123.73 1bkb s ARG 49 Ca 0.02 -1.14 -0.07 0.00 -0.13 0.00 0.00 55.73 54.41 1bkb s ARG 49 Cb -0.10 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1bkb s ARG 49 CO 0.01 -0.51 0.10 0.42 -0.81 0.00 0.00 175.30 174.51 1bkb s ILE 50 N 1.26 5.15 -0.11 4.11 1.01 0.82 -1.11 121.20 132.33 1bkb s ILE 50 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.74 1bkb s ILE 50 Cb -0.18 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1bkb s ILE 50 CO -0.04 0.55 -0.23 -0.69 0.00 0.00 0.00 174.94 174.53 1bkb s VAL 51 N -0.42 2.10 0.22 2.92 1.01 0.08 -1.01 120.40 125.30 1bkb s VAL 51 Ca 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1bkb s VAL 51 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1bkb s VAL 51 CO 0.02 0.56 0.24 0.00 0.00 0.00 0.00 175.10 175.91 1bkb s ALA 52 N 0.41 0.84 -0.06 5.51 0.00 -0.06 -0.73 121.76 127.68 1bkb s ALA 52 Ca -0.17 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.32 1bkb s ALA 52 Cb -0.18 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.26 1bkb s ALA 52 CO 0.07 -0.67 -0.16 0.08 0.00 0.00 0.00 175.76 175.09 1bkb s VAL 53 N -4.05 1.39 0.18 0.00 1.01 -0.17 -0.99 120.40 117.76 1bkb s VAL 53 Ca 0.35 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 61.36 1bkb s VAL 53 Cb 0.05 -1.23 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 1bkb s VAL 53 CO 0.12 0.41 1.75 -0.83 0.00 0.00 0.00 175.10 176.55 1bkb s GLY 54 N 0.38 1.27 0.25 4.51 0.00 0.00 -0.81 107.32 112.93 1bkb s GLY 54 Ca -0.11 1.53 -0.05 0.00 0.00 0.00 0.00 44.72 46.09 1bkb s GLY 54 CO 0.04 2.95 1.84 -2.08 0.00 0.00 0.00 173.10 175.86 1bkb h VAL 55 N 4.12 1.24 0.02 1.40 2.07 -1.15 -1.23 116.25 122.73 1bkb h VAL 55 Ca -0.44 -0.71 -0.37 0.00 0.82 0.00 0.00 66.70 66.00 1bkb h VAL 55 Cb 1.21 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1bkb h VAL 55 CO 0.95 0.30 -2.09 0.49 0.02 0.00 0.00 177.57 177.24 1bkb n PHE 56 N -4.31 0.50 1.19 1.57 3.72 -1.26 -4.54 117.46 114.33 1bkb n PHE 56 Ca 0.07 0.17 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 1bkb n PHE 56 Cb 0.15 -1.06 0.28 0.00 -0.94 0.00 0.00 39.48 37.92 1bkb n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1bkb n ASP 57 N -3.96 1.39 -1.11 4.37 5.68 -1.26 -4.86 116.55 116.80 1bkb n ASP 57 Ca -0.43 -1.14 -0.14 0.00 -0.50 0.00 0.00 54.79 52.58 1bkb n ASP 57 Cb 0.88 0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 41.01 1bkb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bkb n GLY 58 N 1.35 1.42 3.81 6.12 0.00 -0.46 -4.94 105.19 112.49 1bkb n GLY 58 Ca 0.12 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1bkb n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bkb s GLY 59 N -2.62 2.63 0.10 -0.02 0.00 -1.26 -4.57 107.32 101.58 1bkb s GLY 59 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 1bkb s GLY 59 CO 0.00 0.53 1.07 1.25 0.00 0.00 0.00 173.10 175.95 1bkb s LYS 60 N -1.90 4.58 0.07 2.90 2.20 -1.26 -0.82 119.74 125.51 1bkb s LYS 60 Ca 0.42 1.61 0.03 0.00 -0.36 0.00 0.00 55.97 57.67 1bkb s LYS 60 Cb -0.17 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1bkb s LYS 60 CO 0.21 0.01 -0.08 1.03 -0.36 0.00 0.00 175.35 176.16 1bkb s ARG 61 N 0.28 0.70 0.09 4.03 0.52 -0.16 -4.97 118.95 119.44 1bkb s ARG 61 Ca 0.51 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 1bkb s ARG 61 Cb -0.26 -0.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 1bkb s ARG 61 CO 0.31 0.05 -0.11 0.95 0.02 0.00 0.00 175.30 176.52 1bkb s THR 62 N -2.23 0.95 -0.16 0.02 -4.23 -1.26 -0.88 115.64 107.85 1bkb s THR 62 Ca 0.00 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 1bkb s THR 62 Cb -0.04 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.58 1bkb s THR 62 CO -0.01 -0.51 0.34 -0.22 -0.54 0.00 0.00 174.62 173.68 1bkb s LEU 63 N -2.32 -0.34 -0.17 4.79 2.96 -0.18 -4.97 118.68 118.45 1bkb s LEU 63 Ca 0.04 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1bkb s LEU 63 Cb -0.04 1.03 0.00 0.00 0.50 0.00 0.00 46.19 47.68 1bkb s LEU 63 CO 0.00 -0.22 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.11 1bkb s SER 64 N 2.26 3.61 0.21 3.68 0.15 -1.26 -0.13 113.70 122.22 1bkb s SER 64 Ca -0.02 -0.50 -0.23 0.00 0.70 0.00 0.00 55.95 55.89 1bkb s SER 64 Cb -0.11 -1.57 0.05 0.00 -1.71 0.00 0.00 66.02 62.68 1bkb s SER 64 CO -0.11 0.05 0.82 -1.48 1.20 0.00 0.00 173.24 173.72 1bkb s LEU 65 N 1.02 -0.25 0.62 3.45 2.34 -0.69 -4.99 118.68 120.18 1bkb s LEU 65 Ca -0.01 -0.45 -0.19 0.00 0.06 0.00 0.00 54.13 53.53 1bkb s LEU 65 Cb -0.15 2.46 -0.02 0.00 -0.56 0.00 0.00 46.19 47.92 1bkb s LEU 65 CO -0.04 -1.11 1.28 -2.65 -1.06 0.00 0.00 176.35 172.78 1bkb n PRO 66 N -0.45 1.25 0.30 1.48 -0.02 -1.26 -0.33 135.00 135.97 1bkb n PRO 66 Ca -0.06 0.48 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1bkb n PRO 66 Cb 0.60 -2.51 0.93 0.00 -0.02 0.00 0.00 33.50 32.51 1bkb n PRO 66 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1bkb h VAL 67 N 0.77 0.17 -0.59 -1.45 -1.51 -1.43 -2.10 116.25 110.12 1bkb h VAL 67 Ca -0.51 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1bkb h VAL 67 Cb 1.33 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1bkb h VAL 67 CO 0.54 0.03 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 1bkb n ASP 68 N -3.27 3.58 -4.80 4.19 5.75 -1.26 -0.51 116.55 120.24 1bkb n ASP 68 Ca -0.02 -1.99 -0.37 0.00 -0.01 0.00 0.00 54.79 52.40 1bkb n ASP 68 Cb 0.18 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.82 1bkb n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bkb s ALA 69 N -1.22 3.37 0.34 2.12 0.00 -0.79 -4.82 121.76 120.77 1bkb s ALA 69 Ca 0.44 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 1bkb s ALA 69 Cb 0.24 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 1bkb s ALA 69 CO 0.32 0.28 1.10 -0.65 0.00 0.00 0.00 175.76 176.81 1bkb s GLN 70 N -1.80 4.36 -0.02 0.00 -0.21 -1.26 -1.40 119.66 119.34 1bkb s GLN 70 Ca 0.43 1.71 0.03 0.00 0.02 0.00 0.00 55.36 57.55 1bkb s GLN 70 Cb -0.19 -2.87 -0.00 0.00 1.00 0.00 0.00 33.01 30.95 1bkb s GLN 70 CO 0.23 -0.01 -0.10 0.14 -2.12 0.00 0.00 175.29 173.42 1bkb s VAL 71 N -1.38 0.85 0.22 1.09 -7.23 -0.06 -4.86 120.40 109.02 1bkb s VAL 71 Ca 0.51 -0.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 1bkb s VAL 71 Cb -0.28 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 1bkb s VAL 71 CO 0.36 0.25 1.08 -0.70 -0.31 0.00 0.00 175.10 175.78 1bkb s GLU 72 N -0.04 4.64 -0.13 4.82 2.12 -1.26 -2.05 118.70 126.80 1bkb s GLU 72 Ca 0.01 1.71 0.02 0.00 0.36 0.00 0.00 54.97 57.06 1bkb s GLU 72 Cb -0.06 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 1bkb s GLU 72 CO 0.00 0.18 -0.18 0.14 -0.54 0.00 0.00 175.26 174.85 1bkb s VAL 73 N -0.64 2.48 0.52 3.70 -7.23 -0.31 -0.69 120.40 118.23 1bkb s VAL 73 Ca 0.47 -0.85 -0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1bkb s VAL 73 Cb -0.30 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 1bkb s VAL 73 CO 0.36 0.53 1.14 -2.16 -0.31 0.00 0.00 175.10 174.67 1bkb s PRO 74 N 0.61 3.46 -0.26 4.82 0.04 -1.26 -4.32 135.00 138.09 1bkb s PRO 74 Ca -0.10 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 1bkb s PRO 74 Cb -0.16 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1bkb s PRO 74 CO 0.03 -0.77 0.52 0.42 0.04 0.00 0.00 177.00 177.24 1bkb s ILE 75 N -1.70 5.06 -0.26 0.56 -1.09 -1.26 -5.00 121.20 117.51 1bkb s ILE 75 Ca 0.70 0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 59.98 1bkb s ILE 75 Cb -0.25 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1bkb s ILE 75 CO 0.29 0.08 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.44 1bkb s ILE 76 N 2.33 3.31 -0.24 2.92 1.01 -1.26 -4.52 121.20 124.75 1bkb s ILE 76 Ca 0.22 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 1bkb s ILE 76 Cb -0.16 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1bkb s ILE 76 CO 0.09 0.20 0.20 -0.70 0.00 0.00 0.00 174.94 174.74 1bkb s GLU 77 N 1.41 4.07 -0.12 2.79 2.12 -0.80 -4.94 118.70 123.23 1bkb s GLU 77 Ca 0.02 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 1bkb s GLU 77 Cb -0.16 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1bkb s GLU 77 CO -0.02 0.01 -0.00 0.15 -0.54 0.00 0.00 175.26 174.86 1bkb s LYS 78 N 1.20 3.31 0.29 4.30 1.02 -1.26 -0.71 119.74 127.89 1bkb s LYS 78 Ca 0.09 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 1bkb s LYS 78 Cb -0.14 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1bkb s LYS 78 CO 0.06 0.51 0.54 -0.59 -0.92 0.00 0.00 175.35 174.94 1bkb s PHE 79 N -0.35 0.42 -0.05 3.18 -0.71 -0.34 -5.00 117.98 115.13 1bkb s PHE 79 Ca 0.07 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 1bkb s PHE 79 Cb -0.12 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1bkb s PHE 79 CO 0.02 -1.11 -0.02 0.99 -1.34 0.00 0.00 175.22 173.75 1bkb s THR 80 N -3.61 4.06 0.06 -4.49 2.01 -1.26 -0.44 115.64 111.96 1bkb s THR 80 Ca 0.22 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1bkb s THR 80 Cb -0.02 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1bkb s THR 80 CO 0.11 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.52 1bkb s ALA 81 N -0.93 0.57 -0.11 7.40 0.00 -0.73 -4.42 121.76 123.54 1bkb s ALA 81 Ca 0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1bkb s ALA 81 Cb -0.11 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1bkb s ALA 81 CO 0.05 -0.27 -0.05 -1.14 0.00 0.00 0.00 175.76 174.35 1bkb s GLN 82 N -3.27 3.25 -0.04 0.00 0.74 -1.26 -0.46 119.66 118.62 1bkb s GLN 82 Ca 0.03 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 1bkb s GLN 82 Cb 0.03 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 1bkb s GLN 82 CO -0.06 0.45 1.27 0.42 -0.55 0.00 0.00 175.29 176.81 1bkb s ILE 83 N -0.21 4.07 -0.18 -2.34 1.01 0.16 -4.43 121.20 119.29 1bkb s ILE 83 Ca 0.03 1.42 -0.06 0.00 0.00 0.00 0.00 60.65 62.04 1bkb s ILE 83 Cb -0.13 -3.91 -0.22 0.00 0.01 0.00 0.00 42.46 38.21 1bkb s ILE 83 CO 0.02 -0.00 0.14 0.18 0.00 0.00 0.00 174.94 175.29 1bkb n LEU 84 N 5.28 2.64 -3.46 2.97 4.77 0.64 -0.51 117.00 129.33 1bkb n LEU 84 Ca 0.12 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1bkb n LEU 84 Cb 0.45 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1bkb n LEU 84 CO 0.56 0.82 0.38 -0.94 -1.33 0.00 0.00 177.39 176.88 1bkb s SER 85 N -6.90 -0.56 -0.07 -1.43 1.04 -1.13 -4.78 113.70 99.88 1bkb s SER 85 Ca -0.27 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1bkb s SER 85 Cb 0.08 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1bkb s SER 85 CO 0.69 -0.89 -0.01 -0.69 0.98 0.00 0.00 173.24 173.32 1bkb s VAL 86 N -3.29 0.42 0.40 5.02 1.01 -1.26 -1.18 120.40 121.52 1bkb s VAL 86 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1bkb s VAL 86 Cb -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1bkb s VAL 86 CO -0.09 0.25 0.19 -1.54 0.00 0.00 0.00 175.10 173.91 1bkb n SER 87 N 4.90 2.58 0.15 3.32 3.41 -0.49 -5.01 113.62 122.49 1bkb n SER 87 Ca -0.11 -2.50 0.13 0.00 -0.26 0.00 0.00 58.87 56.13 1bkb n SER 87 Cb 0.50 0.08 0.47 0.00 -0.26 0.00 0.00 64.21 65.00 1bkb n SER 87 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1bkb h GLY 88 N 0.65 0.00 0.00 5.00 0.00 -2.03 -3.34 103.07 103.34 1bkb h GLY 88 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1bkb h GLY 88 CO 0.45 0.00 -1.09 1.22 0.00 0.00 0.00 176.54 177.12 1bkb n ASP 89 N -2.44 4.60 -3.89 0.19 8.00 -1.26 -4.98 116.55 116.77 1bkb n ASP 89 Ca 0.03 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 1bkb n ASP 89 Cb 0.33 0.96 -0.13 0.00 -0.02 0.00 0.00 41.12 42.26 1bkb n ASP 89 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1bkb s VAL 90 N -2.10 0.02 -0.23 2.53 -7.23 -1.25 -4.49 120.40 107.64 1bkb s VAL 90 Ca -0.01 -0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 59.91 1bkb s VAL 90 Cb 0.01 -0.09 -0.02 0.00 0.56 0.00 0.00 36.38 36.84 1bkb s VAL 90 CO 0.07 -0.11 0.01 -0.63 -0.31 0.00 0.00 175.10 174.14 1bkb s ILE 91 N -0.31 3.89 -0.19 -0.62 -1.09 0.31 -1.39 121.20 121.80 1bkb s ILE 91 Ca -0.04 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 57.89 1bkb s ILE 91 Cb -0.02 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1bkb s ILE 91 CO -0.00 0.39 0.45 -1.10 -1.23 0.00 0.00 174.94 173.45 1bkb s GLN 92 N 1.41 4.20 0.00 2.79 -1.52 -0.32 -0.95 119.66 125.27 1bkb s GLN 92 Ca 0.05 0.32 0.00 0.00 -1.95 0.00 0.00 55.36 53.78 1bkb s GLN 92 Cb -0.15 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1bkb s GLN 92 CO 0.01 -0.05 0.00 1.28 -0.25 0.00 0.00 175.29 176.28 1bkb n LEU 93 N 4.47 0.00 0.00 2.90 4.77 0.43 -0.26 117.00 129.31 1bkb n LEU 93 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1bkb n LEU 93 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1bkb n LEU 93 CO 0.41 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.80 1bkb n ASP 95 N 0.00 0.08 0.00 -1.43 -0.08 0.36 -0.93 116.55 114.55 1bkb n ASP 95 Ca 0.00 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 1bkb n ASP 95 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1bkb n ASP 95 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bkb n ARG 97 N 0.00 0.00 0.00 -0.67 1.74 -1.26 0.12 116.66 116.59 1bkb n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1bkb n ARG 97 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1bkb n ARG 97 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1bkb n ASP 98 N 0.00 0.90 -0.34 0.55 5.68 -1.26 -5.02 116.55 117.07 1bkb n ASP 98 Ca 0.00 -1.12 -0.04 0.00 -0.50 0.00 0.00 54.79 53.12 1bkb n ASP 98 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1bkb n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1bkb n TYR 99 N -0.06 0.00 -1.95 2.11 4.01 0.32 -5.00 117.16 116.58 1bkb n TYR 99 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1bkb n TYR 99 Cb 0.09 -1.54 0.01 0.00 -0.31 0.00 0.00 39.34 37.59 1bkb n TYR 99 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1bkb s LYS 100 N -1.83 3.54 -0.12 -0.72 -2.85 -1.24 -4.60 119.74 111.93 1bkb s LYS 100 Ca 0.00 0.87 -0.16 0.00 -1.00 0.00 0.00 55.97 55.68 1bkb s LYS 100 Cb 0.00 -2.07 -0.05 0.00 -2.06 0.00 0.00 37.83 33.65 1bkb s LYS 100 CO 0.00 -0.61 0.39 0.99 0.10 0.00 0.00 175.35 176.21 1bkb s THR 101 N -2.98 5.21 -0.00 3.79 2.01 -1.26 -0.49 115.64 121.93 1bkb s THR 101 Ca 0.57 0.76 0.05 0.00 0.31 0.00 0.00 61.69 63.39 1bkb s THR 101 Cb -0.12 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1bkb s THR 101 CO 0.48 0.40 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.00 1bkb s ILE 102 N 0.27 1.34 -0.16 1.82 1.01 -0.11 -4.97 121.20 120.40 1bkb s ILE 102 Ca 0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1bkb s ILE 102 Cb -0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1bkb s ILE 102 CO 0.08 0.33 -0.04 -1.61 0.00 0.00 0.00 174.94 173.70 1bkb s GLU 103 N -0.53 3.67 -0.12 2.79 2.02 -1.26 -0.42 118.70 124.84 1bkb s GLU 103 Ca 0.06 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.56 1bkb s GLU 103 Cb -0.07 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.25 1bkb s GLU 103 CO -0.00 0.24 -0.21 0.08 0.02 0.00 0.00 175.26 175.38 1bkb s VAL 104 N 0.37 1.96 0.00 2.63 1.01 -0.13 -4.96 120.40 121.27 1bkb s VAL 104 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1bkb s VAL 104 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1bkb s VAL 104 CO 0.03 0.53 0.00 -2.65 0.00 0.00 0.00 175.10 173.01 1bkb n PRO 105 N 3.91 2.55 0.00 2.72 -0.02 -1.26 -0.53 135.00 142.37 1bkb n PRO 105 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1bkb n PRO 105 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1bkb n PRO 105 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1bkb n LYS 107 N 0.00 0.00 -1.22 -0.52 2.85 -1.26 -4.05 118.16 113.96 1bkb n LYS 107 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1bkb n LYS 107 Cb 0.00 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.51 1bkb n LYS 107 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bkb n TYR 108 N 0.00 2.98 -4.24 5.58 4.01 -1.26 -4.86 117.16 119.37 1bkb n TYR 108 Ca 0.00 -2.30 -0.33 0.00 -0.16 0.00 0.00 57.90 55.11 1bkb n TYR 108 Cb 0.00 -1.14 -0.16 0.00 -0.31 0.00 0.00 39.34 37.73 1bkb n TYR 108 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1bkb s VAL 109 N -3.78 2.01 0.12 -0.72 1.01 -1.26 -1.14 120.40 116.64 1bkb s VAL 109 Ca 0.57 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 61.28 1bkb s VAL 109 Cb 0.47 -1.81 -0.16 0.00 0.00 0.00 0.00 36.38 34.87 1bkb s VAL 109 CO 0.05 0.53 1.27 -0.62 0.00 0.00 0.00 175.10 176.34 1bkb n GLU 110 N 4.50 1.17 -0.28 2.72 -0.58 -0.34 -4.78 120.64 123.06 1bkb n GLU 110 Ca -0.20 0.42 0.09 0.00 -0.42 0.00 0.00 57.16 57.05 1bkb n GLU 110 Cb 0.50 -2.01 0.24 0.00 -0.57 0.00 0.00 31.44 29.61 1bkb n GLU 110 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1bkb h GLU 111 N 4.10 0.23 0.00 3.49 4.39 -1.92 0.73 114.58 125.60 1bkb h GLU 111 Ca -0.46 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1bkb h GLU 111 Cb 1.34 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1bkb h GLU 111 CO 0.75 0.15 -0.01 1.05 -1.16 0.00 0.00 179.01 179.79 1bkb h GLU 112 N 0.24 0.00 0.00 2.33 9.09 -1.92 -2.79 114.58 121.53 1bkb h GLU 112 Ca 0.49 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.83 1bkb h GLU 112 Cb 0.92 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 1bkb h GLU 112 CO -0.60 0.01 -1.41 0.00 0.05 0.00 0.00 179.01 177.07 1bkb n ALA 113 N -2.10 2.34 -0.17 1.06 0.00 0.22 -4.25 120.51 117.61 1bkb n ALA 113 Ca -0.02 -0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.13 1bkb n ALA 113 Cb 0.17 -0.94 0.50 0.00 0.00 0.00 0.00 19.45 19.17 1bkb n ALA 113 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bkb h LYS 114 N 0.00 0.42 0.00 0.00 1.57 -1.19 -1.79 116.57 115.58 1bkb h LYS 114 Ca -0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1bkb h LYS 114 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bkb h LYS 114 CO 0.02 0.28 0.00 0.78 -0.57 0.00 0.00 179.45 179.95 1bkb h GLY 115 N 0.43 0.00 -0.90 3.86 0.00 -1.74 -3.07 103.07 101.66 1bkb h GLY 115 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1bkb h GLY 115 CO -0.12 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.96 1bkb n ARG 116 N -3.07 2.42 -2.25 4.80 1.74 -0.68 -4.99 116.66 114.63 1bkb n ARG 116 Ca -0.00 -2.51 -0.43 0.00 -0.77 0.00 0.00 57.85 54.14 1bkb n ARG 116 Cb 0.26 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1bkb n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bkb s LEU 117 N -2.39 4.20 -0.13 0.55 1.43 -1.16 -4.97 118.68 116.21 1bkb s LEU 117 Ca 0.32 1.86 -0.21 0.00 -1.03 0.00 0.00 54.13 55.07 1bkb s LEU 117 Cb 0.26 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.99 1bkb s LEU 117 CO 0.07 -0.87 0.53 0.00 0.23 0.00 0.00 176.35 176.32 1bkb s ALA 118 N 3.84 -1.34 0.25 4.21 0.00 -1.26 -5.05 121.76 122.41 1bkb s ALA 118 Ca 0.63 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.51 1bkb s ALA 118 Cb -0.26 -0.46 -0.13 0.00 0.00 0.00 0.00 23.12 22.27 1bkb s ALA 118 CO 0.21 -0.29 1.45 -0.35 0.00 0.00 0.00 175.76 176.79 1bkb n PRO 119 N 1.98 2.19 0.00 0.00 -0.04 -1.26 -1.83 135.00 136.04 1bkb n PRO 119 Ca -0.17 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1bkb n PRO 119 Cb 0.56 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1bkb n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bkb n GLY 120 N 2.17 3.34 3.79 0.55 0.00 0.33 -4.99 105.19 110.39 1bkb n GLY 120 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1bkb n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bkb s ALA 121 N -2.91 2.81 0.02 4.61 0.00 -0.76 -4.69 121.76 120.84 1bkb s ALA 121 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1bkb s ALA 121 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1bkb s ALA 121 CO 0.00 -0.51 0.21 -1.21 0.00 0.00 0.00 175.76 174.25 1bkb s GLU 122 N -3.43 3.46 0.08 0.00 2.02 -1.26 -0.67 118.70 118.90 1bkb s GLU 122 Ca 0.67 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.36 1bkb s GLU 122 Cb -0.18 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1bkb s GLU 122 CO 0.25 0.64 -0.08 0.14 0.02 0.00 0.00 175.26 176.23 1bkb s VAL 123 N -1.41 0.72 -0.14 2.63 -7.23 0.39 0.34 120.40 115.70 1bkb s VAL 123 Ca 0.31 -1.62 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 1bkb s VAL 123 Cb -0.13 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1bkb s VAL 123 CO 0.22 -0.65 0.54 -0.70 -0.31 0.00 0.00 175.10 174.20 1bkb s GLU 124 N -2.92 4.30 0.02 4.82 2.12 -0.11 -1.77 118.70 125.16 1bkb s GLU 124 Ca 0.04 0.53 0.08 0.00 0.36 0.00 0.00 54.97 55.98 1bkb s GLU 124 Cb -0.01 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1bkb s GLU 124 CO -0.02 0.00 -0.25 0.08 -0.54 0.00 0.00 175.26 174.53 1bkb s VAL 125 N 1.12 1.99 -0.09 3.70 1.01 0.42 -1.09 120.40 127.46 1bkb s VAL 125 Ca 0.28 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1bkb s VAL 125 Cb -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1bkb s VAL 125 CO 0.11 0.41 -0.18 0.26 0.00 0.00 0.00 175.10 175.70 1bkb s TRP 126 N -0.72 2.65 -0.13 5.22 0.52 -0.16 -1.20 118.94 125.12 1bkb s TRP 126 Ca 0.10 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 55.59 1bkb s TRP 126 Cb -0.10 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1bkb s TRP 126 CO 0.01 -0.17 -0.18 -1.14 0.02 0.00 0.00 176.95 175.49 1bkb s GLN 127 N 0.01 3.20 -0.20 4.98 0.74 0.11 -0.66 119.66 127.84 1bkb s GLN 127 Ca -0.06 -0.78 -0.00 0.00 0.05 0.00 0.00 55.36 54.57 1bkb s GLN 127 Cb -0.15 -2.53 0.05 0.00 1.10 0.00 0.00 33.01 31.49 1bkb s GLN 127 CO 0.05 0.10 -0.04 0.42 -0.55 0.00 0.00 175.29 175.27 1bkb s ILE 128 N 0.58 1.21 0.00 -2.34 1.01 -0.48 -1.91 121.20 119.28 1bkb s ILE 128 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1bkb s ILE 128 Cb -0.16 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1bkb s ILE 128 CO 0.03 -0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.13 1bkb n LEU 129 N 4.81 0.00 -1.46 2.97 4.77 -1.26 -1.71 117.00 125.11 1bkb n LEU 129 Ca -0.12 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1bkb n LEU 129 Cb 0.46 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.87 1bkb n LEU 129 CO 0.17 0.00 0.77 0.47 -1.33 0.00 0.00 177.39 177.47 1bkb n ASP 130 N 6.51 4.30 -4.43 -1.43 8.00 -1.26 -4.94 116.55 123.31 1bkb n ASP 130 Ca 0.00 -2.39 -0.28 0.00 0.71 0.00 0.00 54.79 52.83 1bkb n ASP 130 Cb 0.00 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.43 1bkb n ASP 130 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1bkb s ARG 131 N -1.81 1.53 0.11 -1.24 0.52 -0.70 -5.14 118.95 112.23 1bkb s ARG 131 Ca 0.46 -1.40 0.09 0.00 -0.52 0.00 0.00 55.73 54.35 1bkb s ARG 131 Cb 0.29 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 1bkb s ARG 131 CO 0.22 0.43 -0.23 0.71 0.02 0.00 0.00 175.30 176.46 1bkb s TYR 132 N -1.38 1.94 -0.04 -0.53 1.51 -1.26 -1.38 117.35 116.21 1bkb s TYR 132 Ca 0.18 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1bkb s TYR 132 Cb -0.09 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1bkb s TYR 132 CO 0.09 0.25 -0.02 0.21 -1.11 0.00 0.00 175.55 174.97 1bkb s LYS 133 N -1.98 0.55 -0.30 -0.62 2.20 0.17 -4.86 119.74 114.89 1bkb s LYS 133 Ca 0.09 0.01 -0.25 0.00 -0.36 0.00 0.00 55.97 55.46 1bkb s LYS 133 Cb -0.10 -0.69 0.01 0.00 -1.51 0.00 0.00 37.83 35.53 1bkb s LYS 133 CO 0.05 -0.14 0.88 0.42 -0.36 0.00 0.00 175.35 176.20 1bkb s ILE 134 N 1.13 4.72 -0.15 5.43 1.01 -0.30 -0.99 121.20 132.05 1bkb s ILE 134 Ca -0.08 1.42 -0.21 0.00 0.00 0.00 0.00 60.65 61.78 1bkb s ILE 134 Cb -0.14 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 1bkb s ILE 134 CO -0.01 -0.29 0.50 0.40 0.00 0.00 0.00 174.94 175.54 1bkb h ILE 135 N 5.61 1.20 -2.33 2.92 1.08 -1.42 -0.89 117.51 123.67 1bkb h ILE 135 Ca -0.23 -2.31 0.09 0.00 -0.39 0.00 0.00 64.86 62.02 1bkb h ILE 135 Cb 1.08 2.73 -0.15 0.00 -3.07 0.00 0.00 36.82 37.41 1bkb h ILE 135 CO 0.93 0.54 0.46 0.00 -0.69 0.00 0.00 178.15 179.39 1bkb s ARG 136 N -2.37 0.87 0.17 2.37 1.70 -1.24 -4.58 118.95 115.87 1bkb s ARG 136 Ca -0.23 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 1bkb s ARG 136 Cb 0.03 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 1bkb s ARG 136 CO 0.69 -0.37 0.93 0.08 -1.08 0.00 0.00 175.30 175.55 1bkb s VAL 137 N -3.09 4.29 0.00 4.99 1.01 -1.26 -0.93 120.40 125.41 1bkb s VAL 137 Ca 0.04 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1bkb s VAL 137 Cb -0.01 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1bkb s VAL 137 CO -0.09 0.42 0.00 0.29 0.00 0.00 0.00 175.10 175.72 1bkb n LYS 138 N 2.09 0.00 -0.45 2.72 4.76 1.04 -4.88 118.16 123.43 1bkb n LYS 138 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1bkb n LYS 138 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1bkb n LYS 138 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44