#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6n s SER 2 N 0.00 3.85 -0.62 4.38 0.01 -1.22 -3.87 113.70 116.23 1s6n s SER 2 Ca 0.00 -0.68 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 1s6n s SER 2 Cb 0.00 -0.50 0.16 0.00 0.21 0.00 0.00 66.02 65.89 1s6n s SER 2 CO 0.00 0.13 0.44 -1.83 0.41 0.00 0.00 173.24 172.39 1s6n s GLU 3 N -2.61 2.56 0.13 12.44 1.03 -1.26 -5.01 118.70 125.98 1s6n s GLU 3 Ca 0.22 -2.52 -0.15 0.00 0.03 0.00 0.00 54.97 52.54 1s6n s GLU 3 Cb -0.09 -3.73 -0.01 0.00 -0.80 0.00 0.00 34.13 29.50 1s6n s GLU 3 CO 0.12 -1.17 1.62 0.74 -1.33 0.00 0.00 175.26 175.24 1s6n h PHE 4 N 7.04 0.72 0.00 4.83 0.04 -1.99 -2.70 116.94 124.88 1s6n h PHE 4 Ca -0.02 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1s6n h PHE 4 Cb 0.95 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 1s6n h PHE 4 CO 0.71 0.69 -0.06 -0.56 -0.60 0.00 0.00 178.31 178.48 1s6n h GLN 5 N 0.54 0.00 -0.02 1.51 -0.00 -2.05 -1.63 115.11 113.47 1s6n h GLN 5 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1s6n h GLN 5 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1s6n h GLN 5 CO 0.00 0.06 -0.11 -0.11 -0.00 0.00 0.00 178.83 178.68 1s6n n LEU 6 N -3.94 1.87 0.00 0.06 7.94 -1.04 -4.27 117.00 117.62 1s6n n LEU 6 Ca -0.03 -0.62 0.02 0.00 -1.11 0.00 0.00 56.01 54.27 1s6n n LEU 6 Cb 0.15 -0.02 0.07 0.00 0.53 0.00 0.00 43.42 44.15 1s6n n LEU 6 CO 0.30 0.32 0.52 0.29 -1.11 0.00 0.00 177.39 177.72 1s6n n LYS 7 N 0.30 0.01 -2.15 1.96 4.76 -0.61 -4.81 118.16 117.63 1s6n n LYS 7 Ca 0.15 0.39 -0.03 0.00 -2.87 0.00 0.00 58.31 55.95 1s6n n LYS 7 Cb 0.43 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s6n n GLY 8 N -1.13 0.36 1.45 0.72 0.00 -1.26 -3.68 105.19 101.65 1s6n n GLY 8 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1s6n n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s6n n THR 9 N -1.57 1.34 1.26 2.61 -1.04 -1.26 -4.49 114.28 111.13 1s6n n THR 9 Ca -0.04 -0.29 0.13 0.00 -2.04 0.00 0.00 64.05 61.82 1s6n n THR 9 Cb 0.53 -1.26 0.68 0.00 -1.82 0.00 0.00 70.33 68.46 1s6n n THR 9 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1s6n n THR 10 N 1.35 0.11 -3.96 12.58 5.66 -1.26 -4.88 114.28 123.88 1s6n n THR 10 Ca 0.00 0.03 -0.10 0.00 -3.05 0.00 0.00 64.05 60.93 1s6n n THR 10 Cb 0.39 -0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 68.56 1s6n n THR 10 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1s6n s TYR 11 N -2.61 0.35 0.48 1.09 5.04 -1.26 -5.06 117.35 115.37 1s6n s TYR 11 Ca 0.25 -0.76 -0.24 0.00 -2.44 0.00 0.00 57.07 53.88 1s6n s TYR 11 Cb 0.18 0.33 -0.07 0.00 0.35 0.00 0.00 41.96 42.75 1s6n s TYR 11 CO 0.43 -1.15 1.38 0.41 -1.34 0.00 0.00 175.55 175.27 1s6n n GLY 12 N -0.45 0.84 3.55 8.97 0.00 -1.26 -4.56 105.19 112.28 1s6n n GLY 12 Ca -0.03 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1s6n n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6n s VAL 13 N -1.23 3.92 0.16 1.61 0.11 -1.26 -1.41 120.40 122.31 1s6n s VAL 13 Ca 0.64 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 59.13 1s6n s VAL 13 Cb -0.45 -4.99 -0.00 0.00 -1.53 0.00 0.00 36.38 29.41 1s6n s VAL 13 CO 0.55 -1.88 0.32 0.00 -3.33 0.00 0.00 175.10 170.76 1s6n n SER 15 N -0.23 0.00 0.00 0.00 3.41 -1.26 -2.25 113.62 113.29 1s6n n SER 15 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1s6n n SER 15 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s6n n LYS 16 N 0.00 0.00 -3.84 4.33 4.81 -1.26 -4.60 118.16 117.60 1s6n n LYS 16 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1s6n n LYS 16 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1s6n n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6n s ALA 17 N 0.00 3.78 0.19 3.14 0.00 -1.26 -5.03 121.76 122.58 1s6n s ALA 17 Ca 0.00 -3.68 0.04 0.00 0.00 0.00 0.00 51.96 48.33 1s6n s ALA 17 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1s6n s ALA 17 CO 0.00 -2.09 -0.07 -0.06 0.00 0.00 0.00 175.76 173.54 1s6n s PHE 18 N -1.08 1.44 0.01 0.00 0.40 -1.26 -1.23 117.98 116.26 1s6n s PHE 18 Ca 0.23 -0.80 -0.22 0.00 -0.60 0.00 0.00 56.93 55.54 1s6n s PHE 18 Cb -0.11 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.70 1s6n s PHE 18 CO -0.11 0.07 0.49 0.21 0.70 0.00 0.00 175.22 176.58 1s6n s LYS 19 N -3.78 0.94 0.22 0.44 2.20 0.15 -4.73 119.74 115.19 1s6n s LYS 19 Ca 0.22 -0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.38 1s6n s LYS 19 Cb 0.03 0.43 -0.11 0.00 -1.51 0.00 0.00 37.83 36.68 1s6n s LYS 19 CO 0.04 -0.31 1.58 -0.06 -0.36 0.00 0.00 175.35 176.24 1s6n s PHE 20 N -1.94 2.96 -0.04 4.03 0.08 -1.26 -0.45 117.98 121.36 1s6n s PHE 20 Ca -0.08 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.67 1s6n s PHE 20 Cb -0.01 -3.98 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 1s6n s PHE 20 CO 0.02 -3.47 -0.02 -0.11 -0.10 0.00 0.00 175.22 171.54 1s6n n LEU 21 N 3.23 1.65 -3.64 -0.37 -0.00 -0.26 -4.75 117.00 112.87 1s6n n LEU 21 Ca 0.11 -0.01 -0.29 0.00 -0.00 0.00 0.00 56.01 55.83 1s6n n LEU 21 Cb 0.38 -0.05 -0.16 0.00 -0.00 0.00 0.00 43.42 43.60 1s6n n LEU 21 CO 0.62 0.36 -0.34 -0.83 -0.00 0.00 0.00 177.39 177.20 1s6n s GLY 22 N -3.99 0.67 0.70 -3.96 0.00 0.07 -4.98 107.32 95.83 1s6n s GLY 22 Ca -0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 43.45 1s6n s GLY 22 CO 0.12 1.78 1.23 -1.30 0.00 0.00 0.00 173.10 174.94 1s6n n THR 23 N 5.11 3.98 -1.97 0.90 -2.24 -1.26 -0.15 114.28 118.64 1s6n n THR 23 Ca -0.06 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 60.91 1s6n n THR 23 Cb 0.44 -1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1s6n n THR 23 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1s6n s PRO 24 N -3.55 4.01 -0.01 -0.78 0.04 -1.26 -4.73 135.00 128.71 1s6n s PRO 24 Ca 0.79 2.29 0.00 0.00 0.04 0.00 0.00 61.00 64.12 1s6n s PRO 24 Cb -0.35 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1s6n s PRO 24 CO 0.44 -0.51 0.01 0.00 0.04 0.00 0.00 177.00 176.98 1s6n s ALA 25 N -1.20 0.06 0.35 8.56 0.00 -0.25 -4.97 121.76 124.31 1s6n s ALA 25 Ca 0.56 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 1s6n s ALA 25 Cb -0.41 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 1s6n s ALA 25 CO 0.53 -0.04 1.23 0.34 0.00 0.00 0.00 175.76 177.82 1s6n s ASP 26 N 0.48 6.72 0.15 0.00 -1.08 -1.26 -0.64 116.67 121.03 1s6n s ASP 26 Ca -0.04 2.51 0.27 0.00 -0.52 0.00 0.00 52.55 54.77 1s6n s ASP 26 Cb -0.06 -2.63 0.93 0.00 -1.46 0.00 0.00 42.92 39.70 1s6n s ASP 26 CO -0.01 -0.55 1.82 0.35 0.52 0.00 0.00 175.17 177.29 1s6n n THR 27 N 0.55 0.44 -0.17 1.71 -2.24 0.47 -4.86 114.28 110.18 1s6n n THR 27 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1s6n n THR 27 Cb 0.44 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1s6n n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s6n n GLY 28 N 1.33 2.55 0.94 3.38 0.00 -1.26 -4.84 105.19 107.29 1s6n n GLY 28 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1s6n n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6n n HIS 29 N -2.00 0.16 0.00 1.61 8.25 -1.26 -4.96 115.22 117.02 1s6n n HIS 29 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1s6n n HIS 29 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1s6n n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s6n n GLY 30 N 1.37 0.37 3.95 -1.41 0.00 -1.26 -5.10 105.19 103.11 1s6n n GLY 30 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1s6n n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6n s THR 31 N -2.00 3.62 -0.18 2.61 -4.23 -1.26 -4.36 115.64 109.84 1s6n s THR 31 Ca 0.00 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1s6n s THR 31 Cb 0.00 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1s6n s THR 31 CO 0.00 -0.12 -0.12 0.68 -0.54 0.00 0.00 174.62 174.53 1s6n s VAL 32 N -2.26 2.92 0.01 2.29 -7.23 0.56 -0.40 120.40 116.29 1s6n s VAL 32 Ca 0.46 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 1s6n s VAL 32 Cb -0.08 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1s6n s VAL 32 CO 0.30 0.49 1.07 0.68 -0.31 0.00 0.00 175.10 177.33 1s6n s VAL 33 N 1.01 4.54 -0.12 1.32 -7.23 0.18 -1.01 120.40 119.10 1s6n s VAL 33 Ca -0.01 1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.94 1s6n s VAL 33 Cb -0.15 -4.17 0.06 0.00 0.56 0.00 0.00 36.38 32.68 1s6n s VAL 33 CO -0.02 0.13 0.25 -0.22 -0.31 0.00 0.00 175.10 174.92 1s6n s LEU 34 N 1.14 -0.19 -0.12 1.32 0.20 0.56 -1.09 118.68 120.50 1s6n s LEU 34 Ca 0.54 0.55 -0.02 0.00 0.69 0.00 0.00 54.13 55.89 1s6n s LEU 34 Cb -0.24 0.65 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 1s6n s LEU 34 CO 0.28 -0.23 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.37 1s6n s GLU 35 N 2.27 3.36 0.26 1.98 2.12 0.79 -0.15 118.70 129.33 1s6n s GLU 35 Ca 0.00 -0.50 0.11 0.00 0.36 0.00 0.00 54.97 54.94 1s6n s GLU 35 Cb -0.12 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 1s6n s GLU 35 CO -0.08 0.42 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.35 1s6n s LEU 36 N -0.12 2.57 0.01 2.70 1.43 -0.83 -0.75 118.68 123.71 1s6n s LEU 36 Ca 0.03 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1s6n s LEU 36 Cb -0.13 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1s6n s LEU 36 CO 0.02 0.01 -0.07 0.00 0.23 0.00 0.00 176.35 176.54 1s6n s GLN 37 N -3.46 2.50 -0.56 1.70 -2.07 0.41 -0.75 119.66 117.42 1s6n s GLN 37 Ca 0.28 -0.76 -0.20 0.00 -1.82 0.00 0.00 55.36 52.86 1s6n s GLN 37 Cb -0.05 -2.47 0.08 0.00 -1.09 0.00 0.00 33.01 29.48 1s6n s GLN 37 CO 0.13 0.59 0.71 -0.47 -1.32 0.00 0.00 175.29 174.93 1s6n s TYR 38 N -1.01 2.98 -1.37 9.60 6.14 0.36 -0.67 117.35 133.38 1s6n s TYR 38 Ca 0.17 -0.68 0.00 0.00 0.64 0.00 0.00 57.07 57.21 1s6n s TYR 38 Cb -0.11 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.44 1s6n s TYR 38 CO 0.08 -1.22 0.61 0.25 0.64 0.00 0.00 175.55 175.91 1s6n n THR 39 N 5.65 0.00 -3.85 4.34 -2.24 -0.36 -4.52 114.28 113.30 1s6n n THR 39 Ca -0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1s6n n THR 39 Cb 0.44 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1s6n n THR 39 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s6n s GLY 40 N -0.47 0.28 0.05 3.38 0.00 -1.26 -4.96 107.32 104.34 1s6n s GLY 40 Ca 0.00 -0.59 0.23 0.00 0.00 0.00 0.00 44.72 44.36 1s6n s GLY 40 CO 0.00 1.10 0.97 -1.30 0.00 0.00 0.00 173.10 173.87 1s6n n THR 41 N -0.62 0.18 -4.46 0.90 -2.24 -1.26 -4.61 114.28 102.17 1s6n n THR 41 Ca -0.06 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 1s6n n THR 41 Cb 0.60 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 1s6n n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1s6n s ASP 42 N -4.05 2.48 0.00 3.42 -4.77 -1.26 -4.75 116.67 107.75 1s6n s ASP 42 Ca 0.02 -1.66 0.00 0.00 -3.30 0.00 0.00 52.55 47.61 1s6n s ASP 42 Cb 0.14 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.45 1s6n s ASP 42 CO 0.81 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 176.36 1s6n n GLY 43 N -0.83 1.16 3.52 2.12 0.00 -1.26 -4.75 105.19 105.15 1s6n n GLY 43 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1s6n n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s6n n PRO 44 N -0.01 1.33 -3.79 1.61 -0.02 -1.26 -4.79 135.00 128.07 1s6n n PRO 44 Ca 0.00 0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1s6n n PRO 44 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 1s6n n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s LYS 46 N -2.68 3.27 0.04 0.00 2.36 -0.50 -0.27 119.74 121.96 1s6n s LYS 46 Ca 0.17 -1.15 -0.33 0.00 -2.55 0.00 0.00 55.97 52.11 1s6n s LYS 46 Cb -0.01 -4.47 -0.12 0.00 -1.05 0.00 0.00 37.83 32.18 1s6n s LYS 46 CO 0.02 -1.80 1.80 1.55 1.55 0.00 0.00 175.35 178.48 1s6n n VAL 47 N 5.80 0.40 -2.78 4.02 3.14 -1.13 -2.21 118.33 125.57 1s6n n VAL 47 Ca 0.05 -0.07 -0.43 0.00 -2.96 0.00 0.00 64.34 60.94 1s6n n VAL 47 Cb 0.46 -1.89 -0.04 0.00 -1.06 0.00 0.00 33.84 31.32 1s6n n VAL 47 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1s6n s PRO 48 N 2.96 3.16 0.04 1.45 0.04 -1.26 -4.63 135.00 136.76 1s6n s PRO 48 Ca 0.86 -0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.20 1s6n s PRO 48 Cb -0.61 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 1s6n s PRO 48 CO 0.44 -1.90 -0.13 -1.50 0.04 0.00 0.00 177.00 173.95 1s6n s ILE 49 N 4.41 1.00 0.20 0.56 2.07 -1.26 -0.74 121.20 127.44 1s6n s ILE 49 Ca 0.26 -0.95 -0.13 0.00 -1.41 0.00 0.00 60.65 58.43 1s6n s ILE 49 Cb -0.14 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.53 1s6n s ILE 49 CO 0.10 -0.02 0.41 -0.55 -1.91 0.00 0.00 174.94 172.97 1s6n s SER 50 N -1.10 -0.09 -0.22 4.50 0.15 0.29 -4.97 113.70 112.27 1s6n s SER 50 Ca 0.00 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 1s6n s SER 50 Cb -0.08 0.52 0.10 0.00 -1.71 0.00 0.00 66.02 64.86 1s6n s SER 50 CO 0.01 -1.01 0.25 -0.55 1.20 0.00 0.00 173.24 173.13 1s6n s SER 51 N -2.96 1.31 0.23 5.45 0.15 -1.26 -2.02 113.70 114.61 1s6n s SER 51 Ca 0.16 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1s6n s SER 51 Cb 0.01 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1s6n s SER 51 CO 0.02 -0.33 0.22 0.68 1.20 0.00 0.00 173.24 175.03 1s6n s VAL 52 N 2.35 0.00 -1.30 4.45 -7.23 -0.64 -0.57 120.40 117.47 1s6n s VAL 52 Ca 0.08 -1.88 0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1s6n s VAL 52 Cb -0.16 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1s6n s VAL 52 CO -0.15 0.00 0.83 0.00 -0.31 0.00 0.00 175.10 175.47 1s6n n ALA 53 N -0.33 3.55 -2.00 1.32 0.00 -1.26 -0.04 120.51 121.75 1s6n n ALA 53 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1s6n n ALA 53 Cb 0.65 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1s6n n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s6n n SER 54 N -0.54 0.00 -1.55 0.00 7.64 -1.26 -4.62 113.62 113.29 1s6n n SER 54 Ca 0.06 -1.81 -0.20 0.00 1.01 0.00 0.00 58.87 57.93 1s6n n SER 54 Cb 0.33 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1s6n n SER 54 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s6n n LEU 55 N 0.00 -1.46 -2.01 -3.43 0.00 -1.26 -4.91 117.00 103.92 1s6n n LEU 55 Ca -0.00 0.47 -0.13 0.00 0.00 0.00 0.00 56.01 56.34 1s6n n LEU 55 Cb 0.66 -2.75 -0.12 0.00 0.00 0.00 0.00 43.42 41.21 1s6n n LEU 55 CO -0.00 -1.00 1.52 -0.46 0.00 0.00 0.00 177.39 177.45 1s6n n ASN 56 N -1.22 5.51 0.24 1.96 6.94 -1.26 -4.78 115.26 122.64 1s6n n ASN 56 Ca -0.20 -2.61 0.15 0.00 -0.02 0.00 0.00 54.58 51.90 1s6n n ASN 56 Cb 0.65 -1.34 0.80 0.00 -2.36 0.00 0.00 39.78 37.54 1s6n n ASN 56 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1s6n h ASP 57 N 2.68 0.00 0.00 0.53 3.32 -1.96 0.15 116.42 121.14 1s6n h ASP 57 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1s6n h ASP 57 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1s6n h ASP 57 CO 0.33 0.00 0.02 0.00 -1.72 0.00 0.00 179.24 177.87 1s6n n LEU 58 N -2.58 0.00 -3.26 1.55 -0.00 -1.26 -3.83 117.00 107.61 1s6n n LEU 58 Ca -0.02 0.37 -0.14 0.00 -0.00 0.00 0.00 56.01 56.21 1s6n n LEU 58 Cb 0.13 -0.37 -0.06 0.00 -0.00 0.00 0.00 43.42 43.12 1s6n n LEU 58 CO 0.13 -0.37 -0.11 -0.89 -0.00 0.00 0.00 177.39 176.16 1s6n s THR 59 N -2.72 -0.41 -0.25 1.47 2.01 0.54 -5.13 115.64 111.15 1s6n s THR 59 Ca 0.00 -1.12 -0.36 0.00 0.31 0.00 0.00 61.69 60.52 1s6n s THR 59 Cb 0.00 -0.57 -0.12 0.00 0.01 0.00 0.00 72.50 71.82 1s6n s THR 59 CO 0.00 -0.53 2.00 -2.65 -0.69 0.00 0.00 174.62 172.76 1s6n n PRO 60 N 3.86 1.48 -0.03 4.92 -0.02 -1.25 -4.89 135.00 139.07 1s6n n PRO 60 Ca 0.15 0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 61.95 1s6n n PRO 60 Cb 0.48 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 1s6n n PRO 60 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s6n n VAL 61 N 6.05 1.67 -1.79 -1.45 0.31 -1.12 -4.39 118.33 117.62 1s6n n VAL 61 Ca 0.32 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1s6n n VAL 61 Cb 0.24 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1s6n n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s6n n GLY 62 N 1.90 1.21 3.30 2.92 0.00 0.27 0.42 105.19 115.21 1s6n n GLY 62 Ca -0.30 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 1s6n n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 63 N 0.89 1.17 -0.50 1.61 1.70 -1.09 -3.42 118.95 119.31 1s6n s ARG 63 Ca 0.00 -1.36 -0.21 0.00 -0.47 0.00 0.00 55.73 53.68 1s6n s ARG 63 Cb 0.00 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1s6n s ARG 63 CO 0.00 -0.41 0.74 -0.51 -1.08 0.00 0.00 175.30 174.04 1s6n s LEU 64 N -3.04 4.55 -0.07 -1.89 2.01 -1.26 -0.39 118.68 118.58 1s6n s LEU 64 Ca 0.25 -0.56 -0.20 0.00 0.01 0.00 0.00 54.13 53.63 1s6n s LEU 64 Cb 0.05 -2.66 -0.15 0.00 0.01 0.00 0.00 46.19 43.43 1s6n s LEU 64 CO 0.05 -0.98 0.75 0.58 1.01 0.00 0.00 176.35 177.76 1s6n h VAL 65 N 5.93 0.90 -0.07 -1.59 2.07 -1.33 -3.38 116.25 118.77 1s6n h VAL 65 Ca -0.26 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1s6n h VAL 65 Cb 1.09 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1s6n h VAL 65 CO 0.99 0.26 0.04 0.74 0.02 0.00 0.00 177.57 179.62 1s6n h THR 66 N -0.90 1.04 -2.38 2.57 2.02 -1.70 -3.46 112.91 110.10 1s6n h THR 66 Ca -0.02 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1s6n h THR 66 Cb 0.54 0.99 -0.22 0.00 -1.74 0.00 0.00 68.15 67.71 1s6n h THR 66 CO 0.03 0.04 -0.05 0.54 0.37 0.00 0.00 175.52 176.45 1s6n s VAL 67 N -6.06 0.00 0.15 3.16 0.11 -1.26 -5.02 120.40 111.48 1s6n s VAL 67 Ca -0.13 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.59 1s6n s VAL 67 Cb 0.07 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 1s6n s VAL 67 CO 0.67 -0.01 1.12 0.20 -3.33 0.00 0.00 175.10 173.75 1s6n s ASN 68 N 0.10 7.22 -0.92 3.54 0.01 -1.26 -4.80 114.94 118.83 1s6n s ASN 68 Ca -0.02 2.06 -0.22 0.00 -0.71 0.00 0.00 52.86 53.98 1s6n s ASN 68 Cb -0.04 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.11 1s6n s ASN 68 CO 0.02 -0.28 1.26 -2.16 -1.51 0.00 0.00 177.10 174.42 1s6n s PRO 69 N -0.01 3.50 -0.03 -0.60 0.04 -1.24 -4.91 135.00 131.75 1s6n s PRO 69 Ca 0.52 -1.23 -0.01 0.00 0.04 0.00 0.00 61.00 60.32 1s6n s PRO 69 Cb -0.29 -4.95 0.03 0.00 0.04 0.00 0.00 34.50 29.33 1s6n s PRO 69 CO 0.34 -2.00 0.06 0.12 0.04 0.00 0.00 177.00 175.55 1s6n s PHE 70 N 4.12 -0.01 -1.05 0.56 5.36 -1.26 -3.40 117.98 122.30 1s6n s PHE 70 Ca 0.37 0.23 -0.21 0.00 -0.96 0.00 0.00 56.93 56.36 1s6n s PHE 70 Cb -0.05 -0.23 0.08 0.00 -0.34 0.00 0.00 43.02 42.48 1s6n s PHE 70 CO -0.05 -0.12 1.41 0.08 -1.46 0.00 0.00 175.22 175.09 1s6n s VAL 71 N 1.24 4.22 -1.48 3.12 1.01 0.62 -4.86 120.40 124.28 1s6n s VAL 71 Ca -0.07 -1.25 0.20 0.00 0.00 0.00 0.00 61.98 60.86 1s6n s VAL 71 Cb -0.13 -5.00 0.37 0.00 0.00 0.00 0.00 36.38 31.62 1s6n s VAL 71 CO -0.04 -1.83 1.63 -0.24 0.00 0.00 0.00 175.10 174.63 1s6n n SER 72 N 8.04 0.00 -3.55 3.32 2.88 -1.26 -1.89 113.62 121.16 1s6n n SER 72 Ca 0.33 -0.05 -0.13 0.00 -1.33 0.00 0.00 58.87 57.69 1s6n n SER 72 Cb 0.49 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 1s6n n SER 72 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s6n s VAL 73 N -2.52 0.03 -0.18 2.46 1.01 -1.26 -5.00 120.40 114.93 1s6n s VAL 73 Ca 0.20 -0.25 0.29 0.00 0.00 0.00 0.00 61.98 62.22 1s6n s VAL 73 Cb 0.14 -1.02 0.36 0.00 0.00 0.00 0.00 36.38 35.85 1s6n s VAL 73 CO 0.30 -0.14 1.82 0.00 0.00 0.00 0.00 175.10 177.08 1s6n h ALA 74 N 2.51 1.00 0.00 5.51 0.00 -1.90 -3.26 119.26 123.12 1s6n h ALA 74 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s6n h ALA 74 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1s6n h ALA 74 CO 0.42 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.92 1s6n n THR 75 N -2.99 0.00 0.81 0.00 -2.24 -1.26 -4.21 114.28 104.39 1s6n n THR 75 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1s6n n THR 75 Cb 0.39 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1s6n n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6n n ALA 76 N -0.70 1.90 0.26 6.98 0.00 -1.23 -4.55 120.51 123.17 1s6n n ALA 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s6n n ALA 76 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1s6n n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s6n n ASN 77 N -0.33 0.50 -4.79 0.00 4.13 -1.26 -4.65 115.26 108.87 1s6n n ASN 77 Ca 0.00 -0.53 -0.24 0.00 1.68 0.00 0.00 54.58 55.49 1s6n n ASN 77 Cb 0.03 -0.13 0.08 0.00 -1.54 0.00 0.00 39.78 38.22 1s6n n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s6n s ALA 78 N -0.22 3.41 -0.30 5.41 0.00 -1.26 -4.65 121.76 124.15 1s6n s ALA 78 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 1s6n s ALA 78 Cb 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.84 1s6n s ALA 78 CO 0.00 -1.33 0.02 0.21 0.00 0.00 0.00 175.76 174.66 1s6n s LYS 79 N -5.16 2.62 -0.03 0.00 2.36 -1.26 -0.48 119.74 117.78 1s6n s LYS 79 Ca 0.63 -1.15 -0.01 0.00 -2.55 0.00 0.00 55.97 52.89 1s6n s LYS 79 Cb -0.08 -3.23 0.03 0.00 -1.05 0.00 0.00 37.83 33.50 1s6n s LYS 79 CO 0.44 -0.57 0.06 0.54 1.55 0.00 0.00 175.35 177.37 1s6n s VAL 80 N 1.33 -0.07 -0.18 4.02 0.11 0.07 -5.00 120.40 120.67 1s6n s VAL 80 Ca -0.03 0.25 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 1s6n s VAL 80 Cb -0.19 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1s6n s VAL 80 CO -0.00 0.10 0.48 -0.22 -3.33 0.00 0.00 175.10 172.13 1s6n s LEU 81 N 1.31 4.18 -0.04 2.54 1.98 -1.26 -1.96 118.68 125.43 1s6n s LEU 81 Ca -0.06 0.66 0.05 0.00 -2.89 0.00 0.00 54.13 51.89 1s6n s LEU 81 Cb -0.13 -2.65 -0.01 0.00 0.66 0.00 0.00 46.19 44.06 1s6n s LEU 81 CO -0.04 -0.11 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.49 1s6n s ILE 82 N 1.31 1.58 0.02 6.68 1.01 0.79 -4.95 121.20 127.64 1s6n s ILE 82 Ca 0.23 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 1s6n s ILE 82 Cb -0.15 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1s6n s ILE 82 CO 0.09 0.45 0.69 -1.61 0.00 0.00 0.00 174.94 174.56 1s6n s GLU 83 N -0.13 4.42 0.23 2.79 2.02 -1.26 -0.33 118.70 126.44 1s6n s GLU 83 Ca -0.01 0.91 0.10 0.00 0.02 0.00 0.00 54.97 55.99 1s6n s GLU 83 Cb -0.11 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 1s6n s GLU 83 CO 0.02 0.31 -0.10 -0.51 0.02 0.00 0.00 175.26 174.99 1s6n s LEU 84 N -0.07 2.91 -0.45 1.80 1.02 -0.18 -0.91 118.68 122.80 1s6n s LEU 84 Ca 0.35 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.62 1s6n s LEU 84 Cb -0.19 -1.51 0.05 0.00 0.02 0.00 0.00 46.19 44.56 1s6n s LEU 84 CO 0.20 0.06 0.38 -0.70 0.02 0.00 0.00 176.35 176.31 1s6n s GLU 85 N -3.22 2.99 0.14 1.70 2.12 0.48 -0.33 118.70 122.58 1s6n s GLU 85 Ca 0.28 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 1s6n s GLU 85 Cb -0.07 -4.08 -0.07 0.00 0.26 0.00 0.00 34.13 30.17 1s6n s GLU 85 CO 0.16 -0.94 0.93 -1.25 -0.54 0.00 0.00 175.26 173.62 1s6n s PRO 86 N 1.71 4.72 0.95 4.30 0.04 -1.26 -2.66 135.00 142.79 1s6n s PRO 86 Ca 0.05 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1s6n s PRO 86 Cb -0.22 -3.35 0.16 0.00 0.04 0.00 0.00 34.50 31.13 1s6n s PRO 86 CO 0.08 0.31 1.12 -1.25 0.04 0.00 0.00 177.00 177.30 1s6n s PRO 87 N -0.35 0.79 0.59 0.56 0.04 -1.26 -4.94 135.00 130.42 1s6n s PRO 87 Ca 0.44 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1s6n s PRO 87 Cb -0.24 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1s6n s PRO 87 CO 0.30 -2.73 0.87 -0.06 0.04 0.00 0.00 177.00 175.42 1s6n s PHE 88 N -2.65 3.11 0.00 0.56 0.40 -1.26 -4.43 117.98 113.71 1s6n s PHE 88 Ca 0.66 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 1s6n s PHE 88 Cb -0.23 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.52 1s6n s PHE 88 CO 0.59 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 176.02 1s6n n GLY 89 N -2.55 2.22 3.22 4.36 0.00 0.01 -4.78 105.19 107.67 1s6n n GLY 89 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1s6n n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s6n s ASP 90 N -4.00 2.13 -0.07 1.61 2.15 -1.26 -0.54 116.67 116.69 1s6n s ASP 90 Ca 0.00 -0.56 -0.08 0.00 0.43 0.00 0.00 52.55 52.34 1s6n s ASP 90 Cb 0.00 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.50 1s6n s ASP 90 CO 0.00 0.06 0.22 -0.94 -0.17 0.00 0.00 175.17 174.35 1s6n s SER 91 N -1.44 -0.21 -0.10 -0.34 1.04 0.18 -4.40 113.70 108.43 1s6n s SER 91 Ca 0.04 0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.83 1s6n s SER 91 Cb -0.09 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1s6n s SER 91 CO 0.02 -0.14 -0.07 -0.31 0.98 0.00 0.00 173.24 173.73 1s6n s TYR 92 N -0.14 1.30 -0.38 5.02 2.02 0.95 -0.66 117.35 125.46 1s6n s TYR 92 Ca -0.03 -0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 1s6n s TYR 92 Cb -0.03 -1.12 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1s6n s TYR 92 CO 0.01 -0.45 0.21 0.42 -1.57 0.00 0.00 175.55 174.17 1s6n s ILE 93 N 1.63 4.35 -0.06 2.71 -1.09 0.54 -1.62 121.20 127.65 1s6n s ILE 93 Ca 0.03 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.40 1s6n s ILE 93 Cb -0.13 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1s6n s ILE 93 CO -0.06 -0.31 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.52 1s6n s VAL 94 N 1.49 3.23 -0.32 2.92 1.01 -0.85 -0.74 120.40 127.14 1s6n s VAL 94 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1s6n s VAL 94 Cb -0.20 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.00 1s6n s VAL 94 CO 0.05 0.59 0.14 -0.69 0.00 0.00 0.00 175.10 175.19 1s6n s VAL 95 N -0.67 0.35 0.00 2.92 1.01 0.17 -0.54 120.40 123.63 1s6n s VAL 95 Ca 0.10 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1s6n s VAL 95 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1s6n s VAL 95 CO 0.01 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.95 1s6n n GLY 96 N 4.79 2.03 2.83 4.51 0.00 0.08 0.07 105.19 119.50 1s6n n GLY 96 Ca -0.01 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 1s6n n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 97 N -1.84 1.06 0.79 1.61 1.70 -0.11 -4.79 118.95 117.37 1s6n s ARG 97 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 1s6n s ARG 97 Cb 0.00 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1s6n s ARG 97 CO 0.00 -0.46 0.00 0.41 -1.08 0.00 0.00 175.30 174.17 1s6n n GLY 98 N 4.98 1.00 0.23 3.88 0.00 -1.26 -1.16 105.19 112.86 1s6n n GLY 98 Ca -0.10 0.73 0.16 0.00 0.00 0.00 0.00 46.02 46.81 1s6n n GLY 98 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s6n h GLU 99 N 0.00 0.00 -3.70 1.61 9.09 -2.03 -3.39 114.58 116.15 1s6n h GLU 99 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.78 1s6n h GLU 99 Cb 0.00 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 26.70 1s6n h GLU 99 CO 0.00 0.00 -0.69 1.14 0.05 0.00 0.00 179.01 179.51 1s6n s GLN 100 N -3.55 1.57 0.09 1.06 -2.07 -0.31 -5.09 119.66 111.36 1s6n s GLN 100 Ca 0.02 -2.13 -0.08 0.00 -1.82 0.00 0.00 55.36 51.35 1s6n s GLN 100 Cb 0.09 -2.96 -0.00 0.00 -1.09 0.00 0.00 33.01 29.05 1s6n s GLN 100 CO 0.51 -1.06 0.18 1.14 -1.32 0.00 0.00 175.29 174.74 1s6n s GLN 101 N 0.38 0.85 0.13 9.60 1.03 -1.26 -0.93 119.66 129.45 1s6n s GLN 101 Ca 0.15 -0.98 0.04 0.00 0.04 0.00 0.00 55.36 54.61 1s6n s GLN 101 Cb -0.23 0.34 -0.04 0.00 0.03 0.00 0.00 33.01 33.11 1s6n s GLN 101 CO -0.05 -0.27 -0.09 0.42 -2.54 0.00 0.00 175.29 172.76 1s6n s ILE 102 N -3.87 1.03 0.03 3.63 -1.09 0.11 -4.97 121.20 116.08 1s6n s ILE 102 Ca 0.05 -2.00 -0.09 0.00 -2.23 0.00 0.00 60.65 56.39 1s6n s ILE 102 Cb 0.05 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1s6n s ILE 102 CO -0.11 -0.77 0.18 0.54 -1.23 0.00 0.00 174.94 173.55 1s6n s ASN 103 N -3.09 0.05 0.18 3.58 2.20 -1.26 -0.66 114.94 115.93 1s6n s ASN 103 Ca 0.15 -0.35 -0.00 0.00 -0.94 0.00 0.00 52.86 51.71 1s6n s ASN 103 Cb 0.03 0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 39.50 1s6n s ASN 103 CO -0.01 -0.52 0.07 -2.28 -2.94 0.00 0.00 177.10 171.42 1s6n s HIS 104 N -2.36 1.12 0.20 1.54 2.46 0.08 -5.00 115.29 113.33 1s6n s HIS 104 Ca -0.07 -1.21 0.09 0.00 0.47 0.00 0.00 55.06 54.34 1s6n s HIS 104 Cb -0.02 -0.61 -0.05 0.00 -0.13 0.00 0.00 32.58 31.77 1s6n s HIS 104 CO -0.03 -0.45 -0.17 -3.38 -2.47 0.00 0.00 174.74 168.24 1s6n s HIS 105 N -3.94 1.90 -0.01 3.88 -3.43 -1.26 -0.34 115.29 112.09 1s6n s HIS 105 Ca 0.30 -0.47 -0.22 0.00 -0.80 0.00 0.00 55.06 53.86 1s6n s HIS 105 Cb 0.07 -0.89 0.04 0.00 -1.43 0.00 0.00 32.58 30.37 1s6n s HIS 105 CO 0.06 0.43 0.48 -0.46 -2.00 0.00 0.00 174.74 173.25 1s6n s TRP 106 N -2.46 -0.39 -0.03 0.38 -0.00 0.17 -4.93 118.94 111.68 1s6n s TRP 106 Ca 0.21 0.57 0.04 0.00 -0.00 0.00 0.00 56.10 56.93 1s6n s TRP 106 Cb -0.04 0.25 -0.01 0.00 -0.00 0.00 0.00 33.47 33.68 1s6n s TRP 106 CO 0.09 -0.53 -0.16 -1.01 -0.00 0.00 0.00 176.95 175.34 1s6n s HIS 107 N -1.61 1.53 -0.34 5.86 3.76 -1.26 -0.65 115.29 122.58 1s6n s HIS 107 Ca -0.10 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1s6n s HIS 107 Cb -0.02 -1.02 0.13 0.00 1.11 0.00 0.00 32.58 32.78 1s6n s HIS 107 CO 0.04 -0.11 0.21 0.15 -0.85 0.00 0.00 174.74 174.18 1s6n s LYS 108 N -0.08 0.49 -0.30 1.40 -0.14 0.30 -4.86 119.74 116.56 1s6n s LYS 108 Ca -0.00 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1s6n s LYS 108 Cb -0.09 -1.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.82 1s6n s LYS 108 CO 0.01 -1.18 0.00 0.45 -0.76 0.00 0.00 175.35 173.87 1s6n n SER 109 N 4.26 -3.48 0.00 2.83 2.88 -0.92 -0.81 113.62 118.38 1s6n n SER 109 Ca 0.09 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1s6n n SER 109 Cb 0.38 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6n n GLY 110 N -2.46 0.00 3.72 0.46 0.00 0.00 -4.95 105.19 101.97 1s6n n GLY 110 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1s6n n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6n s SER 111 N 0.00 4.00 0.44 1.61 0.15 0.50 -4.89 113.70 115.51 1s6n s SER 111 Ca 0.00 2.21 0.30 0.00 0.70 0.00 0.00 55.95 59.16 1s6n s SER 111 Cb 0.00 -2.57 1.54 0.00 -1.71 0.00 0.00 66.02 63.28 1s6n s SER 111 CO 0.00 -2.39 1.91 0.77 1.20 0.00 0.00 173.24 174.73 1s6n h SER 112 N -0.77 0.00 0.38 5.45 4.64 -1.91 0.91 113.55 122.26 1s6n h SER 112 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s6n h SER 112 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1s6n h SER 112 CO 0.48 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 176.06 1s6n n ILE 113 N -2.57 1.23 -0.38 0.95 2.08 -1.26 -4.90 119.36 114.51 1s6n n ILE 113 Ca -0.01 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.62 1s6n n ILE 113 Cb 0.10 -1.16 0.00 0.00 -0.75 0.00 0.00 39.64 37.83 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6n n GLY 114 N -0.41 0.78 0.00 7.39 0.00 0.31 -5.17 105.19 108.10 1s6n n GLY 114 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1s6n n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49