#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6n n SER 2 N 0.00 -2.16 -4.25 4.38 2.88 0.28 -4.79 113.62 109.96 1s6n n SER 2 Ca 0.00 -1.09 -0.18 0.00 -1.33 0.00 0.00 58.87 56.28 1s6n n SER 2 Cb 0.00 -0.92 -0.11 0.00 -0.75 0.00 0.00 64.21 62.43 1s6n n SER 2 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1s6n s GLU 3 N -5.24 1.06 -0.11 -1.46 1.03 -1.26 -5.04 118.70 107.67 1s6n s GLU 3 Ca 0.65 -1.30 -0.06 0.00 0.03 0.00 0.00 54.97 54.29 1s6n s GLU 3 Cb -0.07 -0.89 -0.02 0.00 -0.80 0.00 0.00 34.13 32.35 1s6n s GLU 3 CO 0.50 0.16 -0.13 0.35 -1.33 0.00 0.00 175.26 174.82 1s6n h PHE 4 N 3.34 0.00 -0.19 4.83 3.57 -2.02 -3.40 116.94 123.07 1s6n h PHE 4 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1s6n h PHE 4 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1s6n h PHE 4 CO 0.66 0.00 0.13 -0.56 -2.23 0.00 0.00 178.31 176.30 1s6n h GLN 5 N -0.83 0.25 0.00 1.11 -0.00 -2.04 -1.72 115.11 111.89 1s6n h GLN 5 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1s6n h GLN 5 Cb 0.36 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 1s6n h GLN 5 CO 0.00 0.17 0.00 -0.11 -0.00 0.00 0.00 178.83 178.89 1s6n n LEU 6 N -4.51 0.00 0.07 0.06 0.00 -1.26 -4.02 117.00 107.34 1s6n n LEU 6 Ca -0.00 0.25 0.12 0.00 0.00 0.00 0.00 56.01 56.37 1s6n n LEU 6 Cb 0.08 -0.25 0.59 0.00 0.00 0.00 0.00 43.42 43.84 1s6n n LEU 6 CO 0.35 -0.04 1.14 0.11 0.00 0.00 0.00 177.39 178.95 1s6n h LYS 7 N 0.00 0.17 -3.43 1.96 1.79 -1.52 -3.44 116.57 112.11 1s6n h LYS 7 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1s6n h LYS 7 Cb 0.21 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1s6n h LYS 7 CO 0.00 0.11 -0.10 0.41 -1.08 0.00 0.00 179.45 178.79 1s6n n GLY 8 N -1.55 -1.07 0.00 3.86 0.00 -1.26 -3.91 105.19 101.25 1s6n n GLY 8 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1s6n n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s6n n THR 9 N -0.39 0.77 1.51 2.61 -2.24 -1.26 -4.09 114.28 111.18 1s6n n THR 9 Ca 0.02 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1s6n n THR 9 Cb 0.08 -0.98 0.65 0.00 -2.10 0.00 0.00 70.33 67.97 1s6n n THR 9 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1s6n n THR 10 N -1.33 0.00 -3.98 4.28 5.66 -1.26 -4.78 114.28 112.87 1s6n n THR 10 Ca 0.05 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 1s6n n THR 10 Cb 0.11 -0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 68.22 1s6n n THR 10 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1s6n s TYR 11 N -2.00 0.28 0.63 1.09 2.02 -1.26 -5.06 117.35 113.06 1s6n s TYR 11 Ca 0.33 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 1s6n s TYR 11 Cb 0.15 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1s6n s TYR 11 CO 0.25 -0.31 1.04 0.20 -1.57 0.00 0.00 175.55 175.16 1s6n s GLY 12 N -2.04 1.66 -0.85 0.71 0.00 -1.26 -4.46 107.32 101.09 1s6n s GLY 12 Ca -0.07 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 1s6n s GLY 12 CO -0.04 0.19 1.50 0.54 0.00 0.00 0.00 173.10 175.29 1s6n s VAL 13 N -3.18 3.71 0.29 1.40 0.11 -1.26 -0.91 120.40 120.57 1s6n s VAL 13 Ca 0.55 -0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 59.27 1s6n s VAL 13 Cb -0.11 -4.73 0.02 0.00 -1.53 0.00 0.00 36.38 30.03 1s6n s VAL 13 CO 0.54 -1.65 0.72 0.00 -3.33 0.00 0.00 175.10 171.38 1s6n n SER 15 N -0.60 0.00 0.00 0.00 2.88 -1.26 -2.11 113.62 112.53 1s6n n SER 15 Ca -0.04 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1s6n n SER 15 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1s6n n SER 15 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1s6n n LYS 16 N 0.00 0.00 -2.75 -1.46 4.81 -1.26 -4.56 118.16 112.94 1s6n n LYS 16 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1s6n n LYS 16 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1s6n n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s6n n ALA 17 N 0.59 4.75 -2.76 3.14 0.00 -1.26 -4.94 120.51 120.03 1s6n n ALA 17 Ca 0.00 -4.41 -0.17 0.00 0.00 0.00 0.00 53.44 48.86 1s6n n ALA 17 Cb 0.00 -2.85 -0.12 0.00 0.00 0.00 0.00 19.45 16.48 1s6n n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6n s PHE 18 N 0.07 1.00 0.00 0.00 0.08 -1.26 -1.14 117.98 116.72 1s6n s PHE 18 Ca 0.38 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1s6n s PHE 18 Cb 0.03 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 41.90 1s6n s PHE 18 CO 0.01 0.00 -0.03 0.21 -0.10 0.00 0.00 175.22 175.32 1s6n s LYS 19 N -1.56 0.21 0.17 0.44 2.20 -0.15 -4.85 119.74 116.20 1s6n s LYS 19 Ca -0.04 -0.15 -0.32 0.00 -0.36 0.00 0.00 55.97 55.10 1s6n s LYS 19 Cb -0.09 -0.16 -0.11 0.00 -1.51 0.00 0.00 37.83 35.96 1s6n s LYS 19 CO 0.01 0.04 1.70 -0.06 -0.36 0.00 0.00 175.35 176.68 1s6n s PHE 20 N -0.22 2.76 -0.01 4.03 0.08 -1.26 -0.54 117.98 122.81 1s6n s PHE 20 Ca -0.01 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1s6n s PHE 20 Cb -0.02 -4.08 -0.02 0.00 -0.57 0.00 0.00 43.02 38.33 1s6n s PHE 20 CO -0.00 -4.15 0.02 -0.11 -0.10 0.00 0.00 175.22 170.88 1s6n n LEU 21 N 4.44 0.00 -3.75 -0.37 7.94 0.49 -4.85 117.00 120.90 1s6n n LEU 21 Ca 0.16 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.86 1s6n n LEU 21 Cb 0.37 0.03 -0.17 0.00 0.53 0.00 0.00 43.42 44.17 1s6n n LEU 21 CO 0.63 0.03 -0.36 -0.83 -1.11 0.00 0.00 177.39 175.75 1s6n s GLY 22 N -2.83 0.28 0.47 -3.96 0.00 -0.30 -4.96 107.32 96.03 1s6n s GLY 22 Ca -0.01 0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.58 1s6n s GLY 22 CO 0.07 1.01 1.36 -0.51 0.00 0.00 0.00 173.10 175.03 1s6n s THR 23 N 1.66 2.28 0.57 0.90 -4.23 -1.26 -0.82 115.64 114.74 1s6n s THR 23 Ca -0.01 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.54 1s6n s THR 23 Cb -0.13 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 1s6n s THR 23 CO -0.03 0.02 0.99 -2.65 -0.54 0.00 0.00 174.62 172.41 1s6n n PRO 24 N -0.41 1.04 -3.74 3.99 -0.02 -1.26 -4.72 135.00 129.87 1s6n n PRO 24 Ca 0.07 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 1s6n n PRO 24 Cb 0.44 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s ALA 25 N -1.46 -0.03 0.20 3.55 0.00 0.03 -4.98 121.76 119.08 1s6n s ALA 25 Ca 0.73 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 1s6n s ALA 25 Cb -0.44 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 1s6n s ALA 25 CO 0.49 -0.20 1.51 0.34 0.00 0.00 0.00 175.76 177.90 1s6n s ASP 26 N 1.32 6.61 0.00 0.00 -1.08 -1.26 -1.04 116.67 121.22 1s6n s ASP 26 Ca -0.07 2.64 0.27 0.00 -0.52 0.00 0.00 52.55 54.88 1s6n s ASP 26 Cb -0.12 -2.61 1.19 0.00 -1.46 0.00 0.00 42.92 39.92 1s6n s ASP 26 CO -0.04 -0.77 1.88 0.35 0.52 0.00 0.00 175.17 177.11 1s6n n THR 27 N 3.22 0.12 -0.53 1.71 -2.24 0.53 -4.90 114.28 112.19 1s6n n THR 27 Ca 0.11 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1s6n n THR 27 Cb 0.39 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.30 0.73 1.00 3.38 0.00 -1.26 -4.80 105.19 105.54 1s6n n GLY 28 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 0.49 -0.23 1.61 8.25 -1.26 -4.94 115.22 117.14 1s6n n HIS 29 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 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 1.24 0.87 3.40 -1.41 0.00 -1.26 -5.10 105.19 102.93 1s6n n GLY 30 Ca 0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 1.09 -0.11 2.61 -4.23 -1.26 -4.25 115.64 107.49 1s6n s THR 31 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1s6n s THR 31 Cb 0.00 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1s6n s THR 31 CO 0.00 -0.12 -0.18 0.68 -0.54 0.00 0.00 174.62 174.46 1s6n s VAL 32 N -3.37 2.60 -0.14 2.29 -7.23 0.67 -0.35 120.40 114.87 1s6n s VAL 32 Ca 0.34 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 59.42 1s6n s VAL 32 Cb 0.07 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1s6n s VAL 32 CO 0.13 0.54 0.87 0.68 -0.31 0.00 0.00 175.10 177.02 1s6n s VAL 33 N 0.27 4.87 0.05 1.32 -7.23 -0.20 -1.21 120.40 118.26 1s6n s VAL 33 Ca -0.13 1.74 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 1s6n s VAL 33 Cb -0.16 -4.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.56 1s6n s VAL 33 CO 0.07 0.04 -0.05 -1.48 -0.31 0.00 0.00 175.10 173.37 1s6n s LEU 34 N 1.98 2.35 -0.07 1.32 -0.00 0.10 -0.79 118.68 123.58 1s6n s LEU 34 Ca 0.41 -0.73 0.05 0.00 -0.00 0.00 0.00 54.13 53.87 1s6n s LEU 34 Cb -0.17 0.01 -0.01 0.00 -0.00 0.00 0.00 46.19 46.02 1s6n s LEU 34 CO 0.15 -0.37 -0.24 -0.70 -0.00 0.00 0.00 176.35 175.18 1s6n s GLU 35 N -2.51 2.66 0.27 1.48 2.12 0.00 -0.35 118.70 122.37 1s6n s GLU 35 Ca -0.04 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.48 1s6n s GLU 35 Cb -0.03 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1s6n s GLU 35 CO -0.03 0.35 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.43 1s6n s LEU 36 N -0.08 2.54 -0.03 2.70 1.02 -0.54 -0.38 118.68 123.90 1s6n s LEU 36 Ca -0.06 -1.13 0.05 0.00 0.02 0.00 0.00 54.13 53.00 1s6n s LEU 36 Cb -0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 46.19 45.33 1s6n s LEU 36 CO 0.05 -0.25 -0.17 0.00 0.02 0.00 0.00 176.35 176.00 1s6n s GLN 37 N -3.67 1.60 -0.72 1.70 -2.07 0.30 -0.47 119.66 116.31 1s6n s GLN 37 Ca 0.28 -0.60 -0.21 0.00 -1.82 0.00 0.00 55.36 53.01 1s6n s GLN 37 Cb 0.02 -1.45 0.09 0.00 -1.09 0.00 0.00 33.01 30.58 1s6n s GLN 37 CO 0.11 0.29 0.98 -0.47 -1.32 0.00 0.00 175.29 174.88 1s6n s TYR 38 N -0.12 2.82 0.00 9.60 6.14 -0.06 -0.97 117.35 134.75 1s6n s TYR 38 Ca 0.00 -0.82 -0.02 0.00 0.64 0.00 0.00 57.07 56.88 1s6n s TYR 38 Cb -0.10 -4.26 -0.08 0.00 0.42 0.00 0.00 41.96 37.94 1s6n s TYR 38 CO 0.01 -1.57 2.24 0.25 0.64 0.00 0.00 175.55 177.12 1s6n n THR 39 N 5.78 2.03 -0.69 4.34 -2.24 -0.30 -4.57 114.28 118.65 1s6n n THR 39 Ca 0.03 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1s6n n THR 39 Cb 0.46 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1s6n n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s6n n GLY 40 N 1.90 -1.22 0.18 3.38 0.00 -1.26 -4.85 105.19 103.31 1s6n n GLY 40 Ca 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.18 1s6n n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s6n n THR 41 N 0.09 0.08 -4.12 2.61 -2.24 -1.26 -4.56 114.28 104.88 1s6n n THR 41 Ca 0.00 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1s6n n THR 41 Cb 0.00 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.41 0.50 0.00 3.42 -4.77 -1.26 -4.73 116.67 109.43 1s6n s ASP 42 Ca 0.05 -1.33 0.00 0.00 -3.30 0.00 0.00 52.55 47.97 1s6n s ASP 42 Cb 0.04 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.42 1s6n s ASP 42 CO 0.05 -1.10 0.00 0.61 0.70 0.00 0.00 175.17 175.43 1s6n n GLY 43 N -0.44 0.76 3.43 2.12 0.00 -1.26 -4.82 105.19 104.99 1s6n n GLY 43 Ca 0.01 0.00 -0.49 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 0.00 0.68 -3.63 1.61 -0.02 -1.26 -4.78 135.00 127.60 1s6n n PRO 44 Ca 0.00 0.15 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 1s6n n PRO 44 Cb 0.00 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 -3.30 3.54 -0.25 0.00 2.20 -0.09 -0.45 119.74 121.39 1s6n s LYS 46 Ca 0.08 -1.13 -0.35 0.00 -0.36 0.00 0.00 55.97 54.21 1s6n s LYS 46 Cb -0.01 -5.12 -0.11 0.00 -1.51 0.00 0.00 37.83 31.07 1s6n s LYS 46 CO -0.03 -2.11 2.04 1.55 -0.36 0.00 0.00 175.35 176.44 1s6n n VAL 47 N 6.56 0.34 -2.46 4.02 3.14 -0.90 -1.60 118.33 127.42 1s6n n VAL 47 Ca 0.27 -0.21 -0.39 0.00 -2.96 0.00 0.00 64.34 61.05 1s6n n VAL 47 Cb 0.50 -1.76 -0.02 0.00 -1.06 0.00 0.00 33.84 31.50 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 5.25 3.53 0.04 1.45 0.04 -1.26 -4.70 135.00 139.36 1s6n s PRO 48 Ca 1.02 -1.42 0.07 0.00 0.04 0.00 0.00 61.00 60.71 1s6n s PRO 48 Cb -0.78 -5.39 -0.02 0.00 0.04 0.00 0.00 34.50 28.34 1s6n s PRO 48 CO 0.51 -2.55 -0.20 -1.50 0.04 0.00 0.00 177.00 173.29 1s6n s ILE 49 N 5.86 1.62 0.12 0.56 2.07 -1.26 -0.29 121.20 129.88 1s6n s ILE 49 Ca 0.54 -1.18 -0.08 0.00 -1.41 0.00 0.00 60.65 58.52 1s6n s ILE 49 Cb 0.01 -1.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.18 1s6n s ILE 49 CO 0.01 0.19 0.21 -0.55 -1.91 0.00 0.00 174.94 172.90 1s6n s SER 50 N -1.17 0.11 -0.17 4.50 0.15 0.22 -4.95 113.70 112.39 1s6n s SER 50 Ca 0.07 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 55.91 1s6n s SER 50 Cb -0.09 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1s6n s SER 50 CO 0.02 -0.79 0.14 -0.55 1.20 0.00 0.00 173.24 173.26 1s6n s SER 51 N -2.91 1.87 0.21 5.45 0.15 -1.26 -1.97 113.70 115.24 1s6n s SER 51 Ca 0.10 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 1s6n s SER 51 Cb 0.04 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1s6n s SER 51 CO -0.07 -0.33 0.14 0.68 1.20 0.00 0.00 173.24 174.86 1s6n s VAL 52 N 2.21 0.00 -1.54 4.45 -7.23 -0.37 -0.75 120.40 117.17 1s6n s VAL 52 Ca 0.04 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.38 1s6n s VAL 52 Cb -0.16 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1s6n s VAL 52 CO -0.10 0.00 0.88 0.00 -0.31 0.00 0.00 175.10 175.57 1s6n n ALA 53 N -0.29 3.20 -2.24 1.32 0.00 -1.26 -0.02 120.51 121.22 1s6n n ALA 53 Ca 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.89 1s6n n ALA 53 Cb 0.66 -0.59 -0.02 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 -0.10 -0.22 -1.99 0.00 7.64 -1.26 -4.52 113.62 113.17 1s6n n SER 54 Ca 0.07 -2.01 -0.17 0.00 1.01 0.00 0.00 58.87 57.77 1s6n n SER 54 Cb 0.35 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.08 -1.40 -2.63 -3.43 0.00 -1.26 -4.90 117.00 103.47 1s6n n LEU 55 Ca -0.14 0.24 -0.29 0.00 0.00 0.00 0.00 56.01 55.81 1s6n n LEU 55 Cb 0.87 -2.48 -0.04 0.00 0.00 0.00 0.00 43.42 41.77 1s6n n LEU 55 CO -0.10 -0.49 1.65 -0.46 0.00 0.00 0.00 177.39 177.98 1s6n n ASN 56 N -1.44 6.71 0.04 1.96 6.94 -1.26 -4.83 115.26 123.37 1s6n n ASN 56 Ca -0.18 -3.26 0.02 0.00 -0.02 0.00 0.00 54.58 51.13 1s6n n ASN 56 Cb 0.60 -1.23 0.11 0.00 -2.36 0.00 0.00 39.78 36.91 1s6n n ASN 56 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1s6n n ASP 57 N 0.81 0.11 0.00 0.53 8.00 -1.26 -0.84 116.55 123.90 1s6n n ASP 57 Ca 0.50 0.47 0.02 0.00 0.71 0.00 0.00 54.79 56.49 1s6n n ASP 57 Cb 0.49 -0.47 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 1s6n n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s6n n LEU 58 N -1.58 0.00 -3.36 0.64 -0.00 -1.26 -4.32 117.00 107.12 1s6n n LEU 58 Ca -0.00 0.50 -0.15 0.00 -0.00 0.00 0.00 56.01 56.36 1s6n n LEU 58 Cb 0.11 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 42.96 1s6n n LEU 58 CO 0.02 -0.42 -0.13 -0.89 -0.00 0.00 0.00 177.39 175.96 1s6n s THR 59 N -2.99 -0.44 -0.82 1.47 2.01 -0.02 -5.10 115.64 109.74 1s6n s THR 59 Ca 0.02 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1s6n s THR 59 Cb 0.03 -0.82 -0.19 0.00 0.01 0.00 0.00 72.50 71.52 1s6n s THR 59 CO 0.08 -0.46 2.16 -2.65 -0.69 0.00 0.00 174.62 173.06 1s6n n PRO 60 N 4.84 0.28 0.04 4.92 -0.02 -1.26 -4.80 135.00 139.00 1s6n n PRO 60 Ca 0.04 -0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 60.74 1s6n n PRO 60 Cb 0.47 -2.88 0.21 0.00 -0.02 0.00 0.00 33.50 31.28 1s6n n PRO 60 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s6n h VAL 61 N 7.27 1.27 -3.16 -1.45 2.07 -1.90 -3.16 116.25 117.20 1s6n h VAL 61 Ca 0.01 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1s6n h VAL 61 Cb 1.03 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1s6n h VAL 61 CO 1.14 0.41 0.00 0.61 0.02 0.00 0.00 177.57 179.75 1s6n n GLY 62 N -0.34 2.20 3.46 2.17 0.00 0.07 -0.10 105.19 112.65 1s6n n GLY 62 Ca -0.01 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 2.13 1.84 -0.29 1.61 1.70 -1.20 -0.56 118.95 124.19 1s6n s ARG 63 Ca 0.00 -1.75 -0.10 0.00 -0.47 0.00 0.00 55.73 53.41 1s6n s ARG 63 Cb 0.00 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1s6n s ARG 63 CO 0.00 -0.75 0.15 -0.51 -1.08 0.00 0.00 175.30 173.11 1s6n s LEU 64 N -3.24 3.93 -0.15 -1.89 2.01 -1.26 -0.64 118.68 117.44 1s6n s LEU 64 Ca 0.32 -0.29 -0.11 0.00 0.01 0.00 0.00 54.13 54.05 1s6n s LEU 64 Cb 0.00 -2.02 -0.06 0.00 0.01 0.00 0.00 46.19 44.13 1s6n s LEU 64 CO 0.20 -0.12 -0.13 0.52 1.01 0.00 0.00 176.35 177.84 1s6n n VAL 65 N 5.00 1.44 -0.21 -1.59 0.31 -0.33 -4.24 118.33 118.71 1s6n n VAL 65 Ca -0.14 0.18 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1s6n n VAL 65 Cb 0.51 -2.34 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 1s6n n VAL 65 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1s6n h THR 66 N -1.00 1.09 -3.25 2.52 2.02 -1.83 -3.42 112.91 109.04 1s6n h THR 66 Ca -0.06 -0.25 -0.18 0.00 0.77 0.00 0.00 66.41 66.69 1s6n h THR 66 Cb 0.65 0.29 -0.26 0.00 -1.74 0.00 0.00 68.15 67.08 1s6n h THR 66 CO -0.03 0.13 -0.49 -0.69 0.37 0.00 0.00 175.52 174.81 1s6n s VAL 67 N -6.13 -0.00 0.80 3.16 1.01 -1.26 -5.04 120.40 112.92 1s6n s VAL 67 Ca -0.13 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1s6n s VAL 67 Cb 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.31 1s6n s VAL 67 CO 0.75 0.00 1.10 0.20 0.00 0.00 0.00 175.10 177.15 1s6n s ASN 68 N 0.18 4.24 -1.22 3.32 0.01 -1.26 -4.76 114.94 115.45 1s6n s ASN 68 Ca -0.01 1.84 -0.19 0.00 -0.71 0.00 0.00 52.86 53.79 1s6n s ASN 68 Cb -0.02 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1s6n s ASN 68 CO -0.00 -2.21 1.89 -0.81 -1.51 0.00 0.00 177.10 174.46 1s6n n PRO 69 N -3.63 2.44 -3.71 -0.60 -0.04 -1.25 -4.85 135.00 123.35 1s6n n PRO 69 Ca 0.09 -2.76 -0.13 0.00 -0.04 0.00 0.00 63.50 60.66 1s6n n PRO 69 Cb 0.53 -3.48 -0.14 0.00 -0.04 0.00 0.00 33.50 30.38 1s6n n PRO 69 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1s6n s PHE 70 N 6.36 -0.30 -0.72 0.54 -0.71 -1.26 -3.16 117.98 118.73 1s6n s PHE 70 Ca 0.58 0.74 -0.27 0.00 -1.04 0.00 0.00 56.93 56.94 1s6n s PHE 70 Cb 0.05 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1s6n s PHE 70 CO 0.08 -0.25 1.26 0.08 -1.34 0.00 0.00 175.22 175.05 1s6n s VAL 71 N 1.54 3.78 -1.31 -2.49 1.01 0.41 -4.85 120.40 118.48 1s6n s VAL 71 Ca -0.06 0.44 0.27 0.00 0.00 0.00 0.00 61.98 62.62 1s6n s VAL 71 Cb -0.11 -4.89 0.40 0.00 0.00 0.00 0.00 36.38 31.78 1s6n s VAL 71 CO -0.08 -1.78 1.90 -0.24 0.00 0.00 0.00 175.10 174.90 1s6n n SER 72 N 9.20 0.00 -3.71 3.32 2.88 -1.26 -0.99 113.62 123.07 1s6n n SER 72 Ca 0.03 0.06 -0.14 0.00 -1.33 0.00 0.00 58.87 57.49 1s6n n SER 72 Cb 0.49 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.69 0.04 0.45 2.46 1.01 -1.26 -4.90 120.40 115.52 1s6n s VAL 73 Ca 0.22 -0.36 0.36 0.00 0.00 0.00 0.00 61.98 62.20 1s6n s VAL 73 Cb 0.18 -0.69 0.38 0.00 0.00 0.00 0.00 36.38 36.25 1s6n s VAL 73 CO 0.43 -0.20 2.18 0.00 0.00 0.00 0.00 175.10 177.51 1s6n h ALA 74 N 3.77 1.13 0.00 5.51 0.00 -1.90 -3.16 119.26 124.61 1s6n h ALA 74 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s6n h ALA 74 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1s6n h ALA 74 CO 0.39 0.05 0.00 2.41 0.00 0.00 0.00 179.25 182.10 1s6n n THR 75 N -3.32 0.00 0.63 0.00 -1.04 -1.26 -4.13 114.28 105.17 1s6n n THR 75 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1s6n n THR 75 Cb 0.18 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1s6n n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6n n ALA 76 N -0.98 1.82 0.09 2.41 0.00 -1.19 -4.55 120.51 118.10 1s6n n ALA 76 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1s6n n ALA 76 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.50 0.02 -4.88 0.00 4.13 -1.26 -4.56 115.26 108.21 1s6n n ASN 77 Ca 0.00 -0.11 -0.29 0.00 1.68 0.00 0.00 54.58 55.86 1s6n n ASN 77 Cb 0.00 -0.01 0.09 0.00 -1.54 0.00 0.00 39.78 38.32 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 -1.68 2.58 -0.39 5.41 0.00 -1.26 -4.56 121.76 121.86 1s6n s ALA 78 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 1s6n s ALA 78 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1s6n s ALA 78 CO 0.00 -1.63 0.25 0.21 0.00 0.00 0.00 175.76 174.58 1s6n s LYS 79 N -5.48 2.83 -0.05 0.00 2.36 -1.26 -0.88 119.74 117.26 1s6n s LYS 79 Ca 0.61 -1.14 -0.00 0.00 -2.55 0.00 0.00 55.97 52.89 1s6n s LYS 79 Cb -0.12 -3.82 0.03 0.00 -1.05 0.00 0.00 37.83 32.87 1s6n s LYS 79 CO 0.50 -0.77 0.00 0.54 1.55 0.00 0.00 175.35 177.18 1s6n s VAL 80 N 1.57 0.23 0.14 4.02 0.11 0.38 -5.00 120.40 121.84 1s6n s VAL 80 Ca 0.03 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 1s6n s VAL 80 Cb -0.20 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.22 1s6n s VAL 80 CO 0.07 0.19 1.20 -0.76 -3.33 0.00 0.00 175.10 172.47 1s6n s LEU 81 N 1.47 4.42 0.02 2.54 1.43 -1.26 -1.47 118.68 125.83 1s6n s LEU 81 Ca -0.03 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.27 1s6n s LEU 81 Cb -0.13 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1s6n s LEU 81 CO -0.03 -0.41 -0.15 -0.63 0.23 0.00 0.00 176.35 175.36 1s6n s ILE 82 N 0.40 1.23 -0.12 -0.59 1.01 0.53 -4.99 121.20 118.67 1s6n s ILE 82 Ca 0.55 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 1s6n s ILE 82 Cb -0.31 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1s6n s ILE 82 CO 0.33 0.17 0.20 -1.61 0.00 0.00 0.00 174.94 174.03 1s6n s GLU 83 N -0.83 3.74 0.32 2.79 2.02 -1.26 -0.72 118.70 124.75 1s6n s GLU 83 Ca 0.04 -0.03 0.09 0.00 0.02 0.00 0.00 54.97 55.09 1s6n s GLU 83 Cb -0.07 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.84 1s6n s GLU 83 CO 0.01 0.62 -0.10 -0.51 0.02 0.00 0.00 175.26 175.30 1s6n s LEU 84 N -0.64 2.64 -0.44 1.80 1.02 -0.35 -1.19 118.68 121.53 1s6n s LEU 84 Ca 0.16 -1.18 -0.15 0.00 0.02 0.00 0.00 54.13 52.98 1s6n s LEU 84 Cb -0.13 -0.90 0.05 0.00 0.02 0.00 0.00 46.19 45.24 1s6n s LEU 84 CO 0.05 -0.22 0.35 -0.70 0.02 0.00 0.00 176.35 175.84 1s6n s GLU 85 N -3.64 2.96 -0.50 1.70 2.12 0.18 -0.24 118.70 121.29 1s6n s GLU 85 Ca 0.31 -1.22 -0.25 0.00 0.36 0.00 0.00 54.97 54.17 1s6n s GLU 85 Cb 0.02 -4.05 0.03 0.00 0.26 0.00 0.00 34.13 30.39 1s6n s GLU 85 CO 0.15 -0.91 0.92 -1.25 -0.54 0.00 0.00 175.26 173.63 1s6n s PRO 86 N 1.65 3.44 0.88 4.30 0.04 -1.26 -3.22 135.00 140.83 1s6n s PRO 86 Ca 0.04 -0.03 -0.10 0.00 0.04 0.00 0.00 61.00 60.95 1s6n s PRO 86 Cb -0.22 -3.98 0.13 0.00 0.04 0.00 0.00 34.50 30.47 1s6n s PRO 86 CO 0.08 -1.32 1.12 -1.25 0.04 0.00 0.00 177.00 175.66 1s6n s PRO 87 N 3.81 1.30 0.47 0.56 0.04 -1.26 -4.92 135.00 134.99 1s6n s PRO 87 Ca 0.34 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1s6n s PRO 87 Cb -0.11 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1s6n s PRO 87 CO 0.23 -2.36 0.67 -0.06 0.04 0.00 0.00 177.00 175.52 1s6n s PHE 88 N -2.74 3.06 0.00 0.56 0.40 -1.26 -3.93 117.98 114.08 1s6n s PHE 88 Ca 0.65 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.03 1s6n s PHE 88 Cb -0.21 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.90 1s6n s PHE 88 CO 0.58 -0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.42 1s6n n GLY 89 N -2.09 1.85 3.34 4.36 0.00 -1.26 -4.75 105.19 106.63 1s6n n GLY 89 Ca 0.04 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1s6n n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s6n s ASP 90 N -3.59 2.90 -0.31 1.61 1.11 -1.26 -0.18 116.67 116.94 1s6n s ASP 90 Ca 0.00 -0.74 -0.02 0.00 0.18 0.00 0.00 52.55 51.97 1s6n s ASP 90 Cb 0.00 -0.18 0.11 0.00 1.07 0.00 0.00 42.92 43.92 1s6n s ASP 90 CO 0.00 0.10 0.14 -0.44 1.18 0.00 0.00 175.17 176.15 1s6n s SER 91 N -2.08 3.61 -0.23 0.27 0.01 0.37 -4.35 113.70 111.31 1s6n s SER 91 Ca 0.11 -1.61 -0.15 0.00 1.31 0.00 0.00 55.95 55.61 1s6n s SER 91 Cb -0.10 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1s6n s SER 91 CO 0.05 -0.40 0.36 -0.31 0.41 0.00 0.00 173.24 173.35 1s6n s TYR 92 N 1.69 3.32 -0.41 2.43 2.02 0.97 -0.85 117.35 126.52 1s6n s TYR 92 Ca 0.11 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1s6n s TYR 92 Cb -0.18 -2.51 0.11 0.00 -0.40 0.00 0.00 41.96 38.98 1s6n s TYR 92 CO -0.25 -0.07 0.18 0.42 -1.57 0.00 0.00 175.55 174.25 1s6n s ILE 93 N 1.53 2.92 -0.10 2.71 -1.09 0.29 -1.24 121.20 126.23 1s6n s ILE 93 Ca 0.16 -2.33 -0.03 0.00 -2.23 0.00 0.00 60.65 56.22 1s6n s ILE 93 Cb -0.15 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1s6n s ILE 93 CO 0.08 -0.68 0.04 -0.69 -1.23 0.00 0.00 174.94 172.45 1s6n s VAL 94 N 0.84 4.61 -0.26 2.92 1.01 -0.83 -0.25 120.40 128.43 1s6n s VAL 94 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1s6n s VAL 94 Cb -0.21 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.29 1s6n s VAL 94 CO -0.05 0.61 0.09 -0.69 0.00 0.00 0.00 175.10 175.06 1s6n s VAL 95 N -0.89 0.40 0.00 2.92 1.01 0.02 -0.61 120.40 123.24 1s6n s VAL 95 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1s6n s VAL 95 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1s6n s VAL 95 CO 0.03 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1s6n n GLY 96 N 5.06 2.32 3.07 4.51 0.00 0.60 -0.04 105.19 120.72 1s6n n GLY 96 Ca -0.05 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.83 0.74 0.00 1.61 1.70 -0.28 -4.81 118.95 116.08 1s6n s ARG 97 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1s6n s ARG 97 Cb 0.00 -0.70 0.00 0.00 -0.57 0.00 0.00 34.95 33.68 1s6n s ARG 97 CO 0.00 0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 1s6n n GLY 98 N 2.30 0.00 0.13 3.88 0.00 -1.26 -0.21 105.19 110.04 1s6n n GLY 98 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.00 1.61 9.09 -2.03 -3.42 114.58 116.83 1s6n h GLU 99 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 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 -0.77 1.14 0.05 0.00 0.00 179.01 179.43 1s6n s GLN 100 N -3.24 0.33 0.08 1.06 -2.07 0.71 -5.14 119.66 111.38 1s6n s GLN 100 Ca 0.07 -0.66 -0.04 0.00 -1.82 0.00 0.00 55.36 52.91 1s6n s GLN 100 Cb 0.10 -1.40 -0.03 0.00 -1.09 0.00 0.00 33.01 30.60 1s6n s GLN 100 CO 0.50 -1.00 0.06 1.14 -1.32 0.00 0.00 175.29 174.68 1s6n s GLN 101 N 1.98 0.74 0.16 9.60 1.03 -1.26 -1.12 119.66 130.79 1s6n s GLN 101 Ca 0.09 -1.15 -0.06 0.00 0.04 0.00 0.00 55.36 54.28 1s6n s GLN 101 Cb -0.16 0.26 -0.02 0.00 0.03 0.00 0.00 33.01 33.12 1s6n s GLN 101 CO -0.33 -0.19 0.22 0.42 -2.54 0.00 0.00 175.29 172.87 1s6n s ILE 102 N -3.91 0.07 0.21 3.63 1.01 0.95 -4.97 121.20 118.17 1s6n s ILE 102 Ca 0.08 -1.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1s6n s ILE 102 Cb 0.07 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1s6n s ILE 102 CO -0.09 -0.30 0.38 0.54 0.00 0.00 0.00 174.94 175.47 1s6n s ASN 103 N -3.01 -0.04 0.14 3.58 2.20 -1.26 -0.80 114.94 115.74 1s6n s ASN 103 Ca 0.21 -0.90 0.04 0.00 -0.94 0.00 0.00 52.86 51.28 1s6n s ASN 103 Cb 0.05 0.51 -0.04 0.00 -2.00 0.00 0.00 41.25 39.76 1s6n s ASN 103 CO 0.02 -1.01 -0.10 -2.28 -2.94 0.00 0.00 177.10 170.79 1s6n s HIS 104 N -3.99 1.24 0.27 1.54 2.46 0.65 -4.97 115.29 112.48 1s6n s HIS 104 Ca 0.20 -0.73 0.09 0.00 0.47 0.00 0.00 55.06 55.09 1s6n s HIS 104 Cb 0.01 -0.64 -0.04 0.00 -0.13 0.00 0.00 32.58 31.78 1s6n s HIS 104 CO 0.05 0.07 0.01 -3.38 -2.47 0.00 0.00 174.74 169.02 1s6n s HIS 105 N -3.13 2.72 0.06 3.88 -3.43 -1.26 -0.55 115.29 113.58 1s6n s HIS 105 Ca 0.14 -0.22 -0.19 0.00 -0.80 0.00 0.00 55.06 54.00 1s6n s HIS 105 Cb 0.01 -1.22 0.04 0.00 -1.43 0.00 0.00 32.58 29.98 1s6n s HIS 105 CO 0.01 0.61 0.44 -0.46 -2.00 0.00 0.00 174.74 173.33 1s6n s TRP 106 N -2.32 -0.30 -0.04 0.38 -0.00 -0.03 -4.90 118.94 111.74 1s6n s TRP 106 Ca 0.32 0.22 -0.06 0.00 -0.00 0.00 0.00 56.10 56.57 1s6n s TRP 106 Cb -0.06 0.26 0.01 0.00 -0.00 0.00 0.00 33.47 33.68 1s6n s TRP 106 CO 0.20 -0.62 0.16 -1.01 -0.00 0.00 0.00 176.95 175.68 1s6n s HIS 107 N -2.74 -0.11 0.10 5.86 3.76 -1.26 -0.47 115.29 120.42 1s6n s HIS 107 Ca -0.04 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 1s6n s HIS 107 Cb -0.00 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 1s6n s HIS 107 CO -0.04 -0.16 -0.08 0.15 -0.85 0.00 0.00 174.74 173.77 1s6n s LYS 108 N -0.42 0.84 0.00 1.40 1.02 0.74 -4.89 119.74 118.43 1s6n s LYS 108 Ca -0.05 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1s6n s LYS 108 Cb -0.03 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1s6n s LYS 108 CO 0.01 0.01 0.00 -1.13 -0.92 0.00 0.00 175.35 173.32 1s6n n SER 109 N 0.15 0.00 -0.05 2.83 3.41 -1.25 -2.99 113.62 115.73 1s6n n SER 109 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1s6n n SER 109 Cb 0.60 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6n n GLY 110 N -2.00 0.89 0.00 5.00 0.00 -0.71 -4.94 105.19 103.44 1s6n n GLY 110 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1s6n n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6n n SER 111 N 0.08 0.00 -0.27 1.61 2.88 0.95 -4.43 113.62 114.45 1s6n n SER 111 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1s6n n SER 111 Cb 0.04 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.70 1s6n n SER 111 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s6n h SER 112 N 0.00 -0.17 -0.34 -3.46 4.64 -1.85 0.21 113.55 112.57 1s6n h SER 112 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1s6n h SER 112 Cb 0.00 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1s6n h SER 112 CO 0.00 -0.14 0.00 -0.38 -0.87 0.00 0.00 176.83 175.44 1s6n n ILE 113 N -5.27 0.45 -1.58 0.95 2.08 -1.26 -4.90 119.36 109.82 1s6n n ILE 113 Ca 0.16 -0.50 -0.01 0.00 0.56 0.00 0.00 62.75 62.95 1s6n n ILE 113 Cb 0.53 0.33 -0.00 0.00 -0.75 0.00 0.00 39.64 39.75 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 1.16 0.39 0.00 7.39 0.00 0.73 -5.12 105.19 109.74 1s6n n GLY 114 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1s6n n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49