#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyb s LEU 6 N 0.00 1.16 -0.90 0.00 1.43 -1.26 -5.06 118.68 114.05 1pyb s LEU 6 Ca 0.00 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.43 1pyb s LEU 6 Cb 0.00 1.18 -0.14 0.00 0.03 0.00 0.00 46.19 47.26 1pyb s LEU 6 CO 0.00 -0.66 2.23 -0.63 0.23 0.00 0.00 176.35 177.52 1pyb s ILE 7 N -3.12 3.13 0.00 -0.59 1.01 -1.26 -4.78 121.20 115.59 1pyb s ILE 7 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1pyb s ILE 7 Cb 0.01 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1pyb s ILE 7 CO -0.07 -0.26 1.45 0.61 0.00 0.00 0.00 174.94 176.68 1pyb n GLY 8 N 6.61 1.84 0.18 6.18 0.00 -1.26 -4.38 105.19 114.37 1pyb n GLY 8 Ca 0.44 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 1pyb n GLY 8 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pyb h ILE 9 N 1.53 0.00 -0.71 -0.61 2.04 -2.01 -2.07 117.51 115.68 1pyb h ILE 9 Ca 0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pyb h ILE 9 Cb 0.68 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1pyb h ILE 9 CO 0.05 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.17 1pyb h GLU 10 N -0.58 1.04 -0.82 2.37 5.08 -2.01 -2.89 114.58 116.77 1pyb h GLU 10 Ca -0.05 -0.17 0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1pyb h GLU 10 Cb 0.34 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 1pyb h GLU 10 CO 0.07 0.83 0.45 -0.44 -1.00 0.00 0.00 179.01 178.93 1pyb h ASP 11 N 1.02 0.61 -0.56 1.42 3.32 -1.83 -0.75 116.42 119.65 1pyb h ASP 11 Ca 0.24 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1pyb h ASP 11 Cb 0.17 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1pyb h ASP 11 CO -0.02 0.33 0.08 0.15 -1.72 0.00 0.00 179.24 178.05 1pyb h PHE 12 N 0.72 1.00 -0.51 4.55 3.57 -1.16 -2.60 116.94 122.53 1pyb h PHE 12 Ca 0.41 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1pyb h PHE 12 Cb 0.44 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1pyb h PHE 12 CO -0.07 0.88 0.31 -0.07 -2.23 0.00 0.00 178.31 177.14 1pyb h LEU 13 N 0.83 0.59 -1.15 0.59 3.38 -1.19 -1.00 115.31 117.36 1pyb h LEU 13 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1pyb h LEU 13 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1pyb h LEU 13 CO 0.01 0.45 -0.35 0.11 0.09 0.00 0.00 178.44 178.75 1pyb h LYS 14 N 0.69 0.00 -5.17 1.13 1.57 -0.86 -3.37 116.57 110.56 1pyb h LYS 14 Ca 0.18 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.26 1pyb h LYS 14 Cb -0.05 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.11 1pyb h LYS 14 CO -0.04 0.35 1.39 0.08 -0.57 0.00 0.00 179.45 180.66 1pyb s VAL 15 N -3.83 4.67 -0.81 0.50 1.01 -0.38 -4.94 120.40 116.62 1pyb s VAL 15 Ca -0.01 -2.02 -0.26 0.00 0.00 0.00 0.00 61.98 59.69 1pyb s VAL 15 Cb 0.12 -4.95 -0.11 0.00 0.00 0.00 0.00 36.38 31.45 1pyb s VAL 15 CO 0.68 -1.70 2.28 -1.81 0.00 0.00 0.00 175.10 174.56 1pyb s ASP 16 N 3.53 4.24 -0.16 3.32 1.01 -1.26 -4.93 116.67 122.42 1pyb s ASP 16 Ca 0.42 -0.09 -0.18 0.00 0.71 0.00 0.00 52.55 53.41 1pyb s ASP 16 Cb -0.02 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1pyb s ASP 16 CO -0.02 -3.54 0.50 -0.76 0.21 0.00 0.00 175.17 171.55 1pyb s LEU 17 N 13.45 4.21 0.01 1.23 1.43 -1.26 -1.55 118.68 136.20 1pyb s LEU 17 Ca 0.87 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1pyb s LEU 17 Cb -0.11 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1pyb s LEU 17 CO 0.07 -0.09 -0.12 -0.13 0.23 0.00 0.00 176.35 176.31 1pyb s ARG 18 N 1.11 0.85 0.04 1.70 0.52 -0.39 -1.58 118.95 121.20 1pyb s ARG 18 Ca 0.25 -0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 54.75 1pyb s ARG 18 Cb -0.15 -0.82 -0.06 0.00 0.52 0.00 0.00 34.95 34.43 1pyb s ARG 18 CO 0.10 0.21 0.51 0.08 0.02 0.00 0.00 175.30 176.22 1pyb s VAL 19 N -0.55 4.86 -0.00 3.52 1.01 -0.97 -0.79 120.40 127.48 1pyb s VAL 19 Ca 0.02 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.98 1pyb s VAL 19 Cb -0.06 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1pyb s VAL 19 CO 0.00 0.56 0.20 0.00 0.00 0.00 0.00 175.10 175.86 1pyb s ALA 20 N -1.04 -0.49 -0.03 5.51 0.00 -0.02 -0.99 121.76 124.71 1pyb s ALA 20 Ca 0.27 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 1pyb s ALA 20 Cb -0.18 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1pyb s ALA 20 CO 0.17 -0.22 0.35 0.15 0.00 0.00 0.00 175.76 176.21 1pyb s LYS 21 N -1.33 3.85 -0.61 0.00 1.02 -1.24 -1.06 119.74 120.36 1pyb s LYS 21 Ca -0.14 0.30 -0.27 0.00 0.02 0.00 0.00 55.97 55.88 1pyb s LYS 21 Cb -0.07 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1pyb s LYS 21 CO 0.02 0.68 1.13 0.08 -0.92 0.00 0.00 175.35 176.35 1pyb s VAL 22 N -0.98 4.08 0.21 3.17 1.01 -0.42 -1.51 120.40 125.96 1pyb s VAL 22 Ca 0.22 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1pyb s VAL 22 Cb -0.16 -4.71 0.13 0.00 0.00 0.00 0.00 36.38 31.64 1pyb s VAL 22 CO 0.11 -1.39 1.74 -0.07 0.00 0.00 0.00 175.10 175.50 1pyb h LEU 23 N 11.85 1.07 -7.83 3.92 3.38 -1.38 0.98 115.31 127.30 1pyb h LEU 23 Ca -0.26 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.65 1pyb h LEU 23 Cb 1.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1pyb h LEU 23 CO 1.18 1.00 0.51 -0.94 0.09 0.00 0.00 178.44 180.28 1pyb s SER 24 N -6.44 -0.07 -0.12 -0.43 1.04 -1.26 -4.69 113.70 101.73 1pyb s SER 24 Ca -0.12 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1pyb s SER 24 Cb 0.15 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1pyb s SER 24 CO 0.84 -1.03 0.02 0.00 0.98 0.00 0.00 173.24 174.05 1pyb s ALA 25 N -2.66 0.81 0.71 5.32 0.00 -1.26 -1.29 121.76 123.38 1pyb s ALA 25 Ca 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1pyb s ALA 25 Cb -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1pyb s ALA 25 CO 0.05 -0.76 1.09 -1.21 0.00 0.00 0.00 175.76 174.92 1pyb s GLU 26 N 1.93 2.74 -0.00 0.00 2.02 -0.48 -4.86 118.70 120.05 1pyb s GLU 26 Ca 0.03 0.35 -0.05 0.00 0.02 0.00 0.00 54.97 55.31 1pyb s GLU 26 Cb -0.14 -2.04 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 1pyb s GLU 26 CO -0.06 -1.07 0.11 -0.98 0.02 0.00 0.00 175.26 173.27 1pyb s ARG 27 N -5.35 0.39 0.42 1.61 3.03 -1.26 -2.77 118.95 115.03 1pyb s ARG 27 Ca 0.58 -0.33 0.08 0.00 2.03 0.00 0.00 55.73 58.09 1pyb s ARG 27 Cb -0.11 0.16 -0.01 0.00 -1.03 0.00 0.00 34.95 33.97 1pyb s ARG 27 CO 0.51 -0.09 0.46 0.08 -1.13 0.00 0.00 175.30 175.13 1pyb s VAL 28 N -1.13 2.76 -0.51 4.99 1.01 -1.26 -5.07 120.40 121.20 1pyb s VAL 28 Ca -0.12 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1pyb s VAL 28 Cb -0.07 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1pyb s VAL 28 CO 0.01 0.00 0.99 -1.61 0.00 0.00 0.00 175.10 174.49 1pyb s GLU 29 N -4.22 3.49 0.00 2.72 2.02 -1.26 -4.55 118.70 116.89 1pyb s GLU 29 Ca 0.51 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1pyb s GLU 29 Cb -0.06 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1pyb s GLU 29 CO 0.30 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1pyb n GLY 30 N 5.00 1.94 3.71 -1.39 0.00 -1.26 -4.98 105.19 108.21 1pyb n GLY 30 Ca 0.06 -0.21 -0.58 0.00 0.00 0.00 0.00 46.02 45.29 1pyb n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyb n SER 31 N 3.77 2.35 -4.14 1.61 3.41 -1.26 -4.95 113.62 114.41 1pyb n SER 31 Ca 0.00 1.08 -0.29 0.00 -0.26 0.00 0.00 58.87 59.39 1pyb n SER 31 Cb 0.00 -1.13 0.22 0.00 -0.26 0.00 0.00 64.21 63.04 1pyb n SER 31 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pyb s GLU 32 N 3.55 -0.73 -1.80 4.33 2.02 -1.26 -3.74 118.70 121.07 1pyb s GLU 32 Ca 0.99 0.17 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1pyb s GLU 32 Cb -1.09 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1pyb s GLU 32 CO 0.66 -3.44 0.00 1.63 0.02 0.00 0.00 175.26 174.14 1pyb n LYS 33 N -4.61 -1.68 0.00 1.61 5.02 -1.26 -4.84 118.16 112.40 1pyb n LYS 33 Ca 0.10 1.02 0.03 0.00 -2.02 0.00 0.00 58.31 57.43 1pyb n LYS 33 Cb 0.59 -5.66 0.15 0.00 -0.02 0.00 0.00 35.03 30.09 1pyb n LYS 33 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1pyb n LEU 34 N -2.95 0.00 -4.14 -0.35 -0.00 -1.25 -4.46 117.00 103.84 1pyb n LEU 34 Ca -0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.48 1pyb n LEU 34 Cb 0.69 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.00 1pyb n LEU 34 CO 0.29 0.00 1.35 0.18 -0.00 0.00 0.00 177.39 179.21 1pyb n LEU 35 N -0.59 1.69 -4.56 1.47 4.77 -1.24 -4.13 117.00 114.40 1pyb n LEU 35 Ca 0.04 -2.29 -0.41 0.00 -0.03 0.00 0.00 56.01 53.31 1pyb n LEU 35 Cb 0.02 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 39.80 1pyb n LEU 35 CO 0.03 -2.61 1.59 -0.54 -1.33 0.00 0.00 177.39 174.53 1pyb s LYS 36 N 7.47 3.67 -0.16 3.23 1.02 -1.12 -0.65 119.74 133.20 1pyb s LYS 36 Ca 0.74 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1pyb s LYS 36 Cb 0.04 -5.40 -0.01 0.00 -0.52 0.00 0.00 37.83 31.94 1pyb s LYS 36 CO 0.23 -2.24 1.10 -0.51 -0.92 0.00 0.00 175.35 173.01 1pyb s LEU 37 N 4.88 4.18 -0.84 3.17 1.43 0.14 -1.39 118.68 130.26 1pyb s LEU 37 Ca 0.48 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 1pyb s LEU 37 Cb 0.01 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.79 1pyb s LEU 37 CO -0.06 -0.62 1.09 0.42 0.23 0.00 0.00 176.35 177.41 1pyb s THR 38 N 2.79 4.56 0.13 5.49 -4.23 -0.41 -1.87 115.64 122.10 1pyb s THR 38 Ca 0.49 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.56 1pyb s THR 38 Cb -0.19 -4.76 -0.06 0.00 1.34 0.00 0.00 72.50 68.83 1pyb s THR 38 CO 0.13 -1.51 1.02 -0.76 -0.54 0.00 0.00 174.62 172.96 1pyb s LEU 39 N 3.25 4.49 -0.54 4.79 1.43 -0.28 -0.98 118.68 130.84 1pyb s LEU 39 Ca 0.30 1.90 -0.08 0.00 -1.03 0.00 0.00 54.13 55.22 1pyb s LEU 39 Cb -0.09 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.68 1pyb s LEU 39 CO -0.03 -0.14 0.41 -0.94 0.23 0.00 0.00 176.35 175.88 1pyb s SER 40 N 0.03 5.71 -1.38 2.29 1.04 -0.57 -1.52 113.70 119.31 1pyb s SER 40 Ca 0.48 -2.21 -0.11 0.00 0.48 0.00 0.00 55.95 54.60 1pyb s SER 40 Cb -0.26 -1.99 0.09 0.00 0.10 0.00 0.00 66.02 63.96 1pyb s SER 40 CO 0.31 -0.60 2.15 0.18 0.98 0.00 0.00 173.24 176.26 1pyb n LEU 41 N 4.48 7.04 0.00 2.42 4.77 0.15 -3.65 117.00 132.21 1pyb n LEU 41 Ca -0.02 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.52 1pyb n LEU 41 Cb 0.41 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1pyb n LEU 41 CO 0.39 1.39 0.00 0.61 -1.33 0.00 0.00 177.39 178.46 1pyb n GLY 42 N 3.27 1.34 0.05 -0.72 0.00 -1.26 -1.76 105.19 106.12 1pyb n GLY 42 Ca 0.50 0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.80 1pyb n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pyb n ASP 43 N 4.67 0.62 -4.87 1.61 8.00 -1.26 -4.97 116.55 120.36 1pyb n ASP 43 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1pyb n ASP 43 Cb 0.00 1.38 -0.05 0.00 -0.02 0.00 0.00 41.12 42.43 1pyb n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pyb s GLU 44 N -2.85 3.85 -0.07 -1.24 2.02 -0.72 -5.09 118.70 114.60 1pyb s GLU 44 Ca -0.08 0.42 -0.00 0.00 0.02 0.00 0.00 54.97 55.33 1pyb s GLU 44 Cb 0.09 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.82 1pyb s GLU 44 CO 0.76 0.17 -0.03 -1.21 0.02 0.00 0.00 175.26 174.97 1pyb s GLU 45 N -3.18 0.87 0.05 1.61 2.02 -1.26 0.33 118.70 119.14 1pyb s GLU 45 Ca 0.50 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.47 1pyb s GLU 45 Cb -0.11 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.06 1pyb s GLU 45 CO 0.23 -0.21 -0.08 1.03 0.02 0.00 0.00 175.26 176.25 1pyb s ARG 46 N 1.51 0.58 -0.14 1.61 0.52 -0.57 -5.00 118.95 117.47 1pyb s ARG 46 Ca -0.01 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.30 1pyb s ARG 46 Cb -0.13 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 1pyb s ARG 46 CO -0.04 0.05 0.08 0.95 0.02 0.00 0.00 175.30 176.37 1pyb s THR 47 N -1.63 4.99 -0.03 0.02 -4.23 -1.26 -1.13 115.64 112.37 1pyb s THR 47 Ca -0.07 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1pyb s THR 47 Cb -0.08 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.60 1pyb s THR 47 CO -0.00 0.55 0.06 -0.69 -0.54 0.00 0.00 174.62 174.00 1pyb s VAL 48 N -0.41 -0.08 -0.12 2.29 1.01 -0.78 -1.04 120.40 121.26 1pyb s VAL 48 Ca 0.10 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1pyb s VAL 48 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1pyb s VAL 48 CO 0.02 0.11 0.60 -0.69 0.00 0.00 0.00 175.10 175.13 1pyb s VAL 49 N 1.34 5.09 -0.14 2.92 1.01 0.84 -0.68 120.40 130.78 1pyb s VAL 49 Ca -0.06 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 1pyb s VAL 49 Cb -0.13 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1pyb s VAL 49 CO -0.04 0.24 -0.02 0.00 0.00 0.00 0.00 175.10 175.28 1pyb s ALA 50 N 1.03 3.08 0.00 5.51 0.00 0.18 -4.95 121.76 126.61 1pyb s ALA 50 Ca 0.31 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1pyb s ALA 50 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1pyb s ALA 50 CO 0.13 0.30 0.39 0.41 0.00 0.00 0.00 175.76 176.99 1pyb n GLY 51 N 3.22 -1.27 3.49 0.00 0.00 -1.26 -3.69 105.19 105.67 1pyb n GLY 51 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1pyb n GLY 51 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pyb n ILE 52 N -0.94 -4.84 -1.46 -0.61 5.41 -1.26 -4.37 119.36 111.30 1pyb n ILE 52 Ca 0.00 0.13 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 1pyb n ILE 52 Cb 0.00 -3.96 -0.11 0.00 -0.71 0.00 0.00 39.64 34.86 1pyb n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyb n ALA 53 N -0.89 0.54 -2.37 -1.39 0.00 -1.26 -3.26 120.51 111.87 1pyb n ALA 53 Ca -0.12 -1.37 -0.08 0.00 0.00 0.00 0.00 53.44 51.87 1pyb n ALA 53 Cb 0.66 -2.61 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 1pyb n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pyb n LYS 54 N 7.09 -2.40 -0.04 0.00 5.02 -1.26 -4.80 118.16 121.77 1pyb n LYS 54 Ca 0.43 0.40 -0.02 0.00 -2.02 0.00 0.00 58.31 57.10 1pyb n LYS 54 Cb 0.38 -4.93 -0.15 0.00 -0.02 0.00 0.00 35.03 30.31 1pyb n LYS 54 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1pyb n TYR 55 N -2.97 0.23 -3.80 2.13 9.36 -1.20 -4.88 117.16 116.02 1pyb n TYR 55 Ca -0.09 0.08 -0.26 0.00 3.32 0.00 0.00 57.90 60.94 1pyb n TYR 55 Cb 0.55 -0.87 -0.17 0.00 -0.63 0.00 0.00 39.34 38.22 1pyb n TYR 55 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1pyb s TYR 56 N -2.89 1.08 0.47 2.98 1.51 -1.26 -5.08 117.35 114.16 1pyb s TYR 56 Ca -0.08 -0.65 -0.23 0.00 -1.01 0.00 0.00 57.07 55.11 1pyb s TYR 56 Cb 0.09 -1.03 -0.07 0.00 -0.11 0.00 0.00 41.96 40.84 1pyb s TYR 56 CO 0.85 -0.50 1.20 0.95 -1.11 0.00 0.00 175.55 176.94 1pyb s THR 57 N 1.84 2.93 0.49 -0.71 -4.23 -1.26 -4.92 115.64 109.78 1pyb s THR 57 Ca 0.02 0.70 0.16 0.00 -1.18 0.00 0.00 61.69 61.39 1pyb s THR 57 Cb -0.15 -3.36 0.30 0.00 1.34 0.00 0.00 72.50 70.64 1pyb s THR 57 CO -0.07 -0.00 2.08 1.55 -0.54 0.00 0.00 174.62 177.64 1pyb h PRO 58 N 1.99 0.14 -0.58 3.99 0.13 -1.99 -2.20 132.00 133.49 1pyb h PRO 58 Ca -0.50 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pyb h PRO 58 Cb 1.26 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1pyb h PRO 58 CO 0.60 0.09 0.35 0.93 -0.23 0.00 0.00 178.00 179.74 1pyb h GLU 59 N 0.14 0.78 -0.07 0.86 5.08 -1.95 -2.20 114.58 117.22 1pyb h GLU 59 Ca 0.11 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1pyb h GLU 59 Cb 0.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pyb h GLU 59 CO -0.02 0.56 -0.62 1.49 -1.00 0.00 0.00 179.01 179.42 1pyb h GLU 60 N 0.78 0.24 0.00 2.33 4.57 -1.79 -2.99 114.58 117.72 1pyb h GLU 60 Ca 0.21 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1pyb h GLU 60 Cb -0.03 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1pyb h GLU 60 CO -0.04 0.78 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.31 1pyb h LEU 61 N 0.18 0.00 -8.77 1.64 3.38 -1.09 -3.36 115.31 107.28 1pyb h LEU 61 Ca -0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1pyb h LEU 61 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1pyb h LEU 61 CO 0.10 0.19 1.26 -0.69 0.09 0.00 0.00 178.44 179.39 1pyb s VAL 62 N -4.30 3.52 0.00 1.22 1.01 -0.87 -1.36 120.40 119.62 1pyb s VAL 62 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1pyb s VAL 62 Cb 0.14 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1pyb s VAL 62 CO 0.65 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1pyb n GLY 63 N 5.43 0.35 3.72 4.51 0.00 0.34 -5.01 105.19 114.53 1pyb n GLY 63 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1pyb n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pyb s LYS 64 N -0.77 4.47 -0.44 1.61 2.20 -0.47 -4.67 119.74 121.68 1pyb s LYS 64 Ca 0.00 1.76 -0.18 0.00 -0.36 0.00 0.00 55.97 57.19 1pyb s LYS 64 Cb 0.00 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1pyb s LYS 64 CO 0.00 -0.16 0.49 0.15 -0.36 0.00 0.00 175.35 175.47 1pyb s LYS 65 N 0.61 3.13 0.24 4.03 1.02 -1.26 -1.30 119.74 126.20 1pyb s LYS 65 Ca 0.56 -0.72 0.10 0.00 0.02 0.00 0.00 55.97 55.93 1pyb s LYS 65 Cb -0.30 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 1pyb s LYS 65 CO 0.31 -0.93 -0.11 0.42 -0.92 0.00 0.00 175.35 174.13 1pyb s ILE 66 N 2.30 2.99 -0.21 2.17 1.01 -0.23 -4.17 121.20 125.06 1pyb s ILE 66 Ca 0.14 -2.01 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 1pyb s ILE 66 Cb -0.17 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1pyb s ILE 66 CO 0.14 -0.29 0.24 -0.69 0.00 0.00 0.00 174.94 174.34 1pyb s VAL 67 N -2.16 5.32 0.03 2.92 1.01 -1.20 -0.84 120.40 125.48 1pyb s VAL 67 Ca 0.28 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1pyb s VAL 67 Cb -0.07 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1pyb s VAL 67 CO 0.16 0.34 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1pyb s ILE 68 N 0.94 1.08 -0.72 2.22 1.09 0.03 -2.47 121.20 123.38 1pyb s ILE 68 Ca 0.12 -0.90 -0.27 0.00 -1.10 0.00 0.00 60.65 58.50 1pyb s ILE 68 Cb -0.13 -0.97 0.02 0.00 -1.06 0.00 0.00 42.46 40.32 1pyb s ILE 68 CO 0.04 0.06 1.40 -0.69 -0.10 0.00 0.00 174.94 175.66 1pyb s VAL 69 N -0.73 3.65 0.03 2.92 1.01 -0.49 -1.27 120.40 125.52 1pyb s VAL 69 Ca 0.02 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1pyb s VAL 69 Cb -0.07 -4.73 -0.12 0.00 0.00 0.00 0.00 36.38 31.47 1pyb s VAL 69 CO 0.01 -1.67 1.25 0.00 0.00 0.00 0.00 175.10 174.69 1pyb h ALA 70 N 11.00 -1.14 0.00 5.51 0.00 -1.61 -3.01 119.26 130.00 1pyb h ALA 70 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pyb h ALA 70 Cb 1.07 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1pyb h ALA 70 CO 1.27 -1.09 0.00 0.27 0.00 0.00 0.00 179.25 179.70 1pyb n ASN 71 N -4.13 0.11 0.00 0.00 6.94 -1.25 -4.30 115.26 112.62 1pyb n ASN 71 Ca -0.09 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 1pyb n ASN 71 Cb 0.30 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1pyb n ASN 71 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1pyb n LEU 72 N -0.32 0.14 -3.97 -4.53 -0.00 -1.20 -4.92 117.00 102.20 1pyb n LEU 72 Ca 0.00 0.09 -0.21 0.00 -0.00 0.00 0.00 56.01 55.89 1pyb n LEU 72 Cb 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.29 1pyb n LEU 72 CO 0.00 0.00 -0.43 -0.54 -0.00 0.00 0.00 177.39 176.42 1pyb s LYS 73 N -0.18 1.04 0.21 1.96 1.02 -1.26 -5.01 119.74 117.51 1pyb s LYS 73 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 55.79 1pyb s LYS 73 Cb 0.00 -0.96 0.13 0.00 -0.52 0.00 0.00 37.83 36.49 1pyb s LYS 73 CO 0.00 0.03 1.48 -1.00 -0.92 0.00 0.00 175.35 174.94 1pyb h PRO 74 N 6.75 0.14 -2.84 -1.68 0.13 -1.89 -1.52 132.00 131.10 1pyb h PRO 74 Ca -0.35 -0.13 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1pyb h PRO 74 Cb 1.17 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1pyb h PRO 74 CO 0.48 0.83 -0.23 1.03 -0.23 0.00 0.00 178.00 179.88 1pyb s ARG 75 N -3.42 0.61 -0.17 0.86 0.52 -1.23 -4.07 118.95 112.06 1pyb s ARG 75 Ca -0.02 0.16 -0.16 0.00 -0.52 0.00 0.00 55.73 55.18 1pyb s ARG 75 Cb 0.11 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 1pyb s ARG 75 CO 0.80 -0.14 0.41 0.21 0.02 0.00 0.00 175.30 176.60 1pyb s LYS 76 N -0.67 4.23 0.50 3.54 2.47 -1.21 -4.93 119.74 123.67 1pyb s LYS 76 Ca -0.08 0.26 0.31 0.00 -1.56 0.00 0.00 55.97 54.90 1pyb s LYS 76 Cb -0.04 -3.50 1.41 0.00 -1.46 0.00 0.00 37.83 34.25 1pyb s LYS 76 CO 0.03 0.05 1.80 -0.84 0.16 0.00 0.00 175.35 176.55 1pyb h ILE 77 N 4.90 0.45 -0.04 5.43 -2.65 -1.97 -0.72 117.51 122.91 1pyb h ILE 77 Ca -0.38 -0.04 -0.02 0.00 1.03 0.00 0.00 64.86 65.46 1pyb h ILE 77 Cb 1.17 0.33 -0.01 0.00 -2.05 0.00 0.00 36.82 36.25 1pyb h ILE 77 CO 0.74 0.02 0.02 0.49 0.03 0.00 0.00 178.15 179.45 1pyb n PHE 78 N -4.33 0.12 0.00 0.16 0.99 -1.26 -4.82 117.46 108.32 1pyb n PHE 78 Ca 0.25 -0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 1pyb n PHE 78 Cb 1.11 -0.24 0.00 0.00 -1.00 0.00 0.00 39.48 39.36 1pyb n PHE 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pyb n GLY 79 N 0.32 1.71 3.68 1.37 0.00 -0.28 -4.94 105.19 107.05 1pyb n GLY 79 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 1pyb n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pyb n ILE 80 N -0.79 0.32 -1.97 -0.61 5.41 -1.25 -4.83 119.36 115.63 1pyb n ILE 80 Ca 0.00 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.33 1pyb n ILE 80 Cb 0.00 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.18 1pyb n ILE 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1pyb s GLU 81 N 2.65 2.53 -0.33 0.38 2.02 -1.26 -3.33 118.70 121.36 1pyb s GLU 81 Ca 0.86 0.63 -0.01 0.00 0.02 0.00 0.00 54.97 56.47 1pyb s GLU 81 Cb -0.69 -4.48 0.12 0.00 0.10 0.00 0.00 34.13 29.18 1pyb s GLU 81 CO 0.45 -2.89 0.16 0.45 0.02 0.00 0.00 175.26 173.45 1pyb s SER 82 N 8.68 3.47 -0.94 -0.19 0.15 -1.24 -0.12 113.70 123.51 1pyb s SER 82 Ca 0.72 -1.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.57 1pyb s SER 82 Cb -0.13 -0.54 0.32 0.00 -1.71 0.00 0.00 66.02 63.97 1pyb s SER 82 CO 0.19 -0.38 1.96 0.00 1.20 0.00 0.00 173.24 176.21 1pyb n GLN 83 N 4.61 4.17 0.00 5.44 6.02 -0.21 -3.53 117.38 133.88 1pyb n GLN 83 Ca 0.02 -4.08 0.00 0.00 -0.01 0.00 0.00 57.00 52.93 1pyb n GLN 83 Cb 0.40 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.28 1pyb n GLN 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pyb n GLY 84 N -0.20 4.23 3.64 1.08 0.00 -0.57 -4.83 105.19 108.53 1pyb n GLY 84 Ca 0.51 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1pyb n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pyb s MET 85 N -3.98 4.05 0.00 1.61 -1.94 -1.14 -4.88 119.30 113.02 1pyb s MET 85 Ca 0.00 -0.17 -0.29 0.00 -1.71 0.00 0.00 55.69 53.51 1pyb s MET 85 Cb 0.00 -3.58 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 1pyb s MET 85 CO 0.00 -0.05 0.95 0.42 -0.01 0.00 0.00 175.02 176.33 1pyb s ILE 86 N 1.37 4.86 -0.59 2.53 1.01 -1.26 -1.40 121.20 127.72 1pyb s ILE 86 Ca 0.10 1.99 -0.28 0.00 0.00 0.00 0.00 60.65 62.46 1pyb s ILE 86 Cb -0.15 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1pyb s ILE 86 CO 0.07 0.18 1.39 -0.76 0.00 0.00 0.00 174.94 175.82 1pyb s LEU 87 N 0.91 3.37 -0.20 2.97 1.43 -1.03 -5.00 118.68 121.14 1pyb s LEU 87 Ca 0.50 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1pyb s LEU 87 Cb -0.21 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 1pyb s LEU 87 CO 0.27 -1.73 0.00 0.00 0.23 0.00 0.00 176.35 175.12 1pyb s ALA 88 N 6.02 3.04 -0.75 4.21 0.00 -1.26 -3.12 121.76 129.89 1pyb s ALA 88 Ca 0.50 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 1pyb s ALA 88 Cb -0.10 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.29 1pyb s ALA 88 CO 0.24 -0.14 1.23 0.00 0.00 0.00 0.00 175.76 177.08 1pyb s ALA 89 N 0.99 2.82 -0.90 0.00 0.00 0.51 -4.94 121.76 120.25 1pyb s ALA 89 Ca 0.02 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 1pyb s ALA 89 Cb -0.14 -4.20 0.05 0.00 0.00 0.00 0.00 23.12 18.82 1pyb s ALA 89 CO 0.02 -3.22 1.35 -1.54 0.00 0.00 0.00 175.76 172.37 1pyb s SER 90 N 3.81 6.37 1.00 0.00 1.04 -1.26 -1.19 113.70 123.47 1pyb s SER 90 Ca 0.33 -1.11 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 1pyb s SER 90 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1pyb s SER 90 CO 0.12 -1.60 0.02 0.47 0.98 0.00 0.00 173.24 173.23 1pyb n ASP 91 N 8.88 -0.81 0.29 7.02 8.00 0.21 -4.82 116.55 135.32 1pyb n ASP 91 Ca 0.20 -0.61 0.13 0.00 0.71 0.00 0.00 54.79 55.22 1pyb n ASP 91 Cb 0.50 -0.02 0.70 0.00 -0.02 0.00 0.00 41.12 42.28 1pyb n ASP 91 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1pyb h GLY 92 N -0.43 0.00 0.00 0.44 0.00 -2.06 -3.36 103.07 97.66 1pyb h GLY 92 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pyb h GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 1pyb n GLU 93 N -2.66 0.00 -3.14 4.80 0.28 -1.26 -5.13 120.64 113.52 1pyb n GLU 93 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.59 1pyb n GLU 93 Cb 0.36 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.17 1pyb n GLU 93 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1pyb s ASN 94 N -0.29 7.01 -0.82 -1.84 -0.87 -1.26 -5.02 114.94 111.86 1pyb s ASN 94 Ca 0.00 1.21 -0.16 0.00 -1.57 0.00 0.00 52.86 52.34 1pyb s ASN 94 Cb 0.00 -2.39 0.18 0.00 -0.02 0.00 0.00 41.25 39.02 1pyb s ASN 94 CO 0.00 0.05 0.83 -0.76 -2.57 0.00 0.00 177.10 174.65 1pyb s LEU 95 N 0.03 6.20 0.20 0.60 1.43 -1.26 -0.62 118.68 125.26 1pyb s LEU 95 Ca 0.33 -2.38 -0.25 0.00 -1.03 0.00 0.00 54.13 50.81 1pyb s LEU 95 Cb -0.18 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1pyb s LEU 95 CO 0.18 -0.75 0.80 -0.94 0.23 0.00 0.00 176.35 175.87 1pyb s SER 96 N 2.73 7.34 0.04 2.29 1.04 -0.34 -4.91 113.70 121.89 1pyb s SER 96 Ca 0.20 1.65 -0.16 0.00 0.48 0.00 0.00 55.95 58.13 1pyb s SER 96 Cb -0.11 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1pyb s SER 96 CO -0.07 0.13 0.47 -0.69 0.98 0.00 0.00 173.24 174.06 1pyb s VAL 97 N -1.29 4.93 -0.44 5.02 1.01 -1.26 -0.36 120.40 128.01 1pyb s VAL 97 Ca 0.39 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1pyb s VAL 97 Cb -0.21 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1pyb s VAL 97 CO 0.25 0.52 1.18 -0.63 0.00 0.00 0.00 175.10 176.42 1pyb s ILE 98 N -1.14 4.20 -0.01 2.22 1.01 -1.18 -4.88 121.20 121.41 1pyb s ILE 98 Ca 0.27 1.25 0.01 0.00 0.00 0.00 0.00 60.65 62.18 1pyb s ILE 98 Cb -0.17 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.80 1pyb s ILE 98 CO 0.16 -0.89 -0.04 -0.69 0.00 0.00 0.00 174.94 173.49 1pyb s VAL 99 N 4.49 0.35 0.69 2.92 1.01 -1.26 -3.21 120.40 125.39 1pyb s VAL 99 Ca 0.50 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1pyb s VAL 99 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1pyb s VAL 99 CO 0.29 0.13 1.17 -2.16 0.00 0.00 0.00 175.10 174.53 1pyb s PRO 100 N 0.29 2.45 0.19 2.72 0.04 -1.26 -4.95 135.00 134.47 1pyb s PRO 100 Ca -0.03 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 1pyb s PRO 100 Cb -0.06 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.70 1pyb s PRO 100 CO -0.00 -1.56 1.85 -0.44 0.04 0.00 0.00 177.00 176.88 1pyb h ASP 101 N -0.07 0.68 -4.69 6.66 3.32 -2.01 -3.46 116.42 116.86 1pyb h ASP 101 Ca -0.48 -0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.01 1pyb h ASP 101 Cb 1.28 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 1pyb h ASP 101 CO 0.52 0.49 -0.40 0.54 -1.72 0.00 0.00 179.24 178.67 1pyb n ARG 102 N -4.67 0.98 -1.80 3.56 5.12 -1.26 -5.08 116.66 113.51 1pyb n ARG 102 Ca 0.05 -3.09 -0.43 0.00 -1.93 0.00 0.00 57.85 52.45 1pyb n ARG 102 Cb 0.03 0.82 -0.03 0.00 -1.16 0.00 0.00 32.46 32.13 1pyb n ARG 102 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pyb s ASP 103 N -3.33 5.98 -0.04 0.55 1.01 -1.26 -4.99 116.67 114.59 1pyb s ASP 103 Ca 0.00 1.95 0.05 0.00 0.71 0.00 0.00 52.55 55.27 1pyb s ASP 103 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1pyb s ASP 103 CO 0.00 -1.53 -0.19 -0.69 0.21 0.00 0.00 175.17 172.97 1pyb s VAL 104 N 6.41 2.67 0.63 -1.27 1.01 -1.26 -5.12 120.40 123.46 1pyb s VAL 104 Ca 0.88 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1pyb s VAL 104 Cb -0.32 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1pyb s VAL 104 CO 0.35 0.59 1.06 -0.54 0.00 0.00 0.00 175.10 176.56 1pyb s LYS 105 N -0.65 3.14 0.64 2.72 1.02 -1.26 -5.01 119.74 120.33 1pyb s LYS 105 Ca 0.10 1.15 -0.17 0.00 0.02 0.00 0.00 55.97 57.07 1pyb s LYS 105 Cb -0.11 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1pyb s LYS 105 CO 0.00 -0.95 1.19 -1.21 -0.92 0.00 0.00 175.35 173.46 1pyb s GLU 106 N -4.38 2.72 -0.12 1.68 2.02 -1.26 -3.30 118.70 116.06 1pyb s GLU 106 Ca 0.62 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.36 1pyb s GLU 106 Cb -0.16 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1pyb s GLU 106 CO 0.43 -1.39 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1pyb n GLY 107 N 0.33 0.44 3.52 -1.39 0.00 -0.16 -4.48 105.19 103.45 1pyb n GLY 107 Ca 0.13 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 1pyb n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyb n ALA 108 N 1.02 1.32 -2.63 4.61 0.00 -1.21 -4.75 120.51 118.88 1pyb n ALA 108 Ca -0.01 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1pyb n ALA 108 Cb 0.16 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 16.83 1pyb n ALA 108 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pyb s LYS 109 N 6.57 4.00 0.62 0.00 1.02 -1.26 -2.28 119.74 128.40 1pyb s LYS 109 Ca 1.06 0.91 -0.15 0.00 0.02 0.00 0.00 55.97 57.81 1pyb s LYS 109 Cb -0.60 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 1pyb s LYS 109 CO 0.41 -0.90 1.06 -0.51 -0.92 0.00 0.00 175.35 174.49 1pyb s LEU 110 N 3.58 3.43 0.00 3.17 1.43 -0.61 -5.04 118.68 124.64 1pyb s LEU 110 Ca 0.43 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1pyb s LEU 110 Cb -0.12 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.57 1pyb s LEU 110 CO 0.16 -1.26 0.00 -1.54 0.23 0.00 0.00 176.35 173.95