#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 0.22 0.12 4.38 0.15 -1.24 -2.71 113.70 114.62 1s6n s SER 2 Ca 0.00 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.76 1s6n s SER 2 Cb 0.00 0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1s6n s SER 2 CO 0.00 -0.74 0.03 -1.84 1.20 0.00 0.00 173.24 171.89 1s6n n GLU 3 N -0.07 1.03 -0.05 5.44 0.00 -1.26 -5.07 120.64 120.66 1s6n n GLU 3 Ca -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 57.16 55.97 1s6n n GLU 3 Cb 0.62 0.47 -0.03 0.00 0.00 0.00 0.00 31.44 32.50 1s6n n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1s6n n PHE 4 N -0.28 0.00 -0.19 -1.84 3.72 -1.26 -4.79 117.46 112.82 1s6n n PHE 4 Ca -0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.54 1s6n n PHE 4 Cb 0.17 -0.41 0.51 0.00 -0.94 0.00 0.00 39.48 38.81 1s6n n PHE 4 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1s6n h GLN 5 N -0.66 0.39 0.00 -1.08 -0.00 -2.01 -1.43 115.11 110.32 1s6n h GLN 5 Ca -0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1s6n h GLN 5 Cb 0.84 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 28.23 1s6n h GLN 5 CO -0.07 0.26 -0.03 1.25 -0.00 0.00 0.00 178.83 180.25 1s6n h LEU 6 N 0.41 0.00 -0.20 0.06 6.46 -2.00 -0.50 115.31 119.54 1s6n h LEU 6 Ca 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1s6n h LEU 6 Cb 0.97 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1s6n h LEU 6 CO -0.14 0.03 -0.03 0.29 -0.62 0.00 0.00 178.44 177.97 1s6n n LYS 7 N -3.34 0.89 -0.00 1.25 4.01 -0.54 -4.22 118.16 116.20 1s6n n LYS 7 Ca -0.02 -0.20 -0.00 0.00 -0.51 0.00 0.00 58.31 57.58 1s6n n LYS 7 Cb 0.15 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s6n n GLY 8 N 1.16 -0.00 3.31 0.72 0.00 -0.20 -4.77 105.19 105.40 1s6n n GLY 8 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 0.02 1.35 0.26 2.61 -2.24 -1.26 -4.72 114.28 110.29 1s6n n THR 9 Ca 0.00 -1.24 0.15 0.00 -2.27 0.00 0.00 64.05 60.69 1s6n n THR 9 Cb -0.00 -2.20 0.47 0.00 -2.10 0.00 0.00 70.33 66.50 1s6n n THR 9 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s6n h THR 10 N 5.05 0.00 -4.15 4.28 1.35 -1.97 -3.46 112.91 114.01 1s6n h THR 10 Ca 0.32 -0.71 -0.16 0.00 -0.55 0.00 0.00 66.41 65.31 1s6n h THR 10 Cb 0.75 1.70 -0.12 0.00 -1.73 0.00 0.00 68.15 68.75 1s6n h THR 10 CO 1.78 0.00 -0.37 -0.31 -0.25 0.00 0.00 175.52 176.37 1s6n s TYR 11 N -3.47 0.81 0.36 4.73 2.02 -1.26 -5.03 117.35 115.50 1s6n s TYR 11 Ca 0.04 -1.09 -0.27 0.00 -0.37 0.00 0.00 57.07 55.38 1s6n s TYR 11 Cb 0.07 -0.20 -0.09 0.00 -0.40 0.00 0.00 41.96 41.34 1s6n s TYR 11 CO 0.59 -0.83 1.15 0.20 -1.57 0.00 0.00 175.55 175.10 1s6n s GLY 12 N -3.10 2.92 -0.49 0.71 0.00 -1.26 -4.28 107.32 101.82 1s6n s GLY 12 Ca 0.31 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 45.71 1s6n s GLY 12 CO 0.11 1.49 1.94 0.54 0.00 0.00 0.00 173.10 177.18 1s6n s VAL 13 N -1.35 3.33 -0.09 1.40 0.11 -1.26 -0.41 120.40 122.13 1s6n s VAL 13 Ca 0.53 0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 59.54 1s6n s VAL 13 Cb -0.31 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 30.94 1s6n s VAL 13 CO 0.39 -0.58 0.68 0.00 -3.33 0.00 0.00 175.10 172.26 1s6n n SER 15 N 1.23 0.00 0.00 0.00 3.41 -1.26 -2.66 113.62 114.34 1s6n n SER 15 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1s6n n SER 15 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.10 0.00 -3.90 4.33 4.81 -1.26 -4.13 118.16 117.92 1s6n n LYS 16 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1s6n n LYS 16 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 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 -0.77 3.83 0.18 3.14 0.00 -1.26 -5.05 121.76 121.82 1s6n s ALA 17 Ca 0.00 -3.84 0.09 0.00 0.00 0.00 0.00 51.96 48.21 1s6n s ALA 17 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1s6n s ALA 17 CO 0.00 -2.10 -0.18 -0.06 0.00 0.00 0.00 175.76 173.42 1s6n s PHE 18 N -1.44 1.86 -0.01 0.00 0.08 -1.26 -0.47 117.98 116.74 1s6n s PHE 18 Ca 0.25 -0.47 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1s6n s PHE 18 Cb -0.05 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 1s6n s PHE 18 CO -0.16 0.36 0.12 0.21 -0.10 0.00 0.00 175.22 175.65 1s6n s LYS 19 N -2.92 0.36 0.32 0.44 2.20 -0.17 -4.82 119.74 115.16 1s6n s LYS 19 Ca 0.18 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 1s6n s LYS 19 Cb -0.05 0.15 -0.10 0.00 -1.51 0.00 0.00 37.83 36.32 1s6n s LYS 19 CO 0.07 -0.08 1.23 -0.06 -0.36 0.00 0.00 175.35 176.16 1s6n s PHE 20 N -0.94 3.21 -0.18 4.03 0.08 -1.26 -0.27 117.98 122.65 1s6n s PHE 20 Ca -0.10 1.51 -0.03 0.00 0.12 0.00 0.00 56.93 58.43 1s6n s PHE 20 Cb -0.06 -3.54 -0.10 0.00 -0.57 0.00 0.00 43.02 38.75 1s6n s PHE 20 CO 0.01 -1.42 -0.19 -0.11 -0.10 0.00 0.00 175.22 173.41 1s6n n LEU 21 N 0.87 2.31 -3.64 -0.37 -0.00 0.38 -4.77 117.00 111.78 1s6n n LEU 21 Ca -0.00 0.04 -0.20 0.00 -0.00 0.00 0.00 56.01 55.85 1s6n n LEU 21 Cb 0.43 -0.59 -0.17 0.00 -0.00 0.00 0.00 43.42 43.10 1s6n n LEU 21 CO 0.57 0.63 -0.29 -0.83 -0.00 0.00 0.00 177.39 177.47 1s6n s GLY 22 N -5.55 0.17 0.45 -3.96 0.00 -0.38 -4.99 107.32 93.05 1s6n s GLY 22 Ca -0.25 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1s6n s GLY 22 CO 0.37 1.63 0.44 2.41 0.00 0.00 0.00 173.10 177.95 1s6n n THR 23 N 5.31 1.59 -1.60 0.90 -1.04 -1.26 -0.85 114.28 117.33 1s6n n THR 23 Ca -0.05 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 60.99 1s6n n THR 23 Cb 0.50 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 1s6n n THR 23 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1s6n n PRO 24 N 0.64 1.37 -3.90 -2.82 -0.02 -1.26 -4.68 135.00 124.33 1s6n n PRO 24 Ca 0.11 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 1s6n n PRO 24 Cb 0.41 -1.98 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.37 1.70 0.06 3.55 0.00 0.59 -4.94 121.76 122.36 1s6n s ALA 25 Ca 0.69 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 1s6n s ALA 25 Cb -0.78 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 1s6n s ALA 25 CO 0.53 -1.07 1.91 -3.47 0.00 0.00 0.00 175.76 173.67 1s6n n ASP 26 N 4.78 4.05 0.03 0.00 -0.08 -1.26 -0.78 116.55 123.29 1s6n n ASP 26 Ca -0.12 0.94 0.11 0.00 -1.51 0.00 0.00 54.79 54.22 1s6n n ASP 26 Cb 0.46 -1.52 0.47 0.00 2.34 0.00 0.00 41.12 42.87 1s6n n ASP 26 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1s6n n THR 27 N 5.18 0.52 0.00 5.18 -2.24 0.02 -4.91 114.28 118.03 1s6n n THR 27 Ca 0.20 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1s6n n THR 27 Cb 0.38 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 0.79 1.27 0.00 3.38 0.00 -1.26 -4.70 105.19 104.67 1s6n n GLY 28 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.47 0.00 0.00 1.61 8.25 -1.26 -4.86 115.22 118.49 1s6n n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s6n n HIS 29 Cb 0.00 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 0.07 1.40 3.46 -1.41 0.00 -1.26 -5.13 105.19 102.31 1s6n n GLY 30 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.12 2.61 -4.23 -1.26 -4.35 115.64 107.38 1s6n s THR 31 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1s6n s THR 31 Cb 0.00 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1s6n s THR 31 CO 0.00 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 174.67 1s6n s VAL 32 N -3.30 1.10 -0.02 2.29 -7.23 0.46 -0.80 120.40 112.90 1s6n s VAL 32 Ca 0.34 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 1s6n s VAL 32 Cb 0.08 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1s6n s VAL 32 CO 0.15 0.38 0.61 -0.69 -0.31 0.00 0.00 175.10 175.24 1s6n s VAL 33 N 1.66 4.95 -0.04 1.32 1.01 0.04 -0.64 120.40 128.70 1s6n s VAL 33 Ca 0.05 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.30 1s6n s VAL 33 Cb -0.13 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1s6n s VAL 33 CO -0.08 0.38 -0.04 -0.22 0.00 0.00 0.00 175.10 175.14 1s6n s LEU 34 N 0.04 1.34 -0.16 3.92 1.98 0.36 -0.30 118.68 125.85 1s6n s LEU 34 Ca 0.32 -0.11 -0.04 0.00 -2.89 0.00 0.00 54.13 51.42 1s6n s LEU 34 Cb -0.18 -0.40 -0.02 0.00 0.66 0.00 0.00 46.19 46.25 1s6n s LEU 34 CO 0.17 -0.06 -0.04 -0.70 -1.89 0.00 0.00 176.35 173.83 1s6n s GLU 35 N 0.87 3.62 0.37 1.98 2.12 -0.03 -0.48 118.70 127.15 1s6n s GLU 35 Ca -0.11 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 54.75 1s6n s GLU 35 Cb -0.14 -2.92 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 1s6n s GLU 35 CO -0.00 0.18 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.37 1s6n s LEU 36 N 0.52 2.72 0.01 2.70 1.43 -0.68 -0.47 118.68 124.91 1s6n s LEU 36 Ca -0.03 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.82 1s6n s LEU 36 Cb -0.14 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 1s6n s LEU 36 CO 0.03 -0.38 -0.17 0.00 0.23 0.00 0.00 176.35 176.06 1s6n s GLN 37 N -3.70 1.25 -0.58 1.70 -2.07 0.62 -0.44 119.66 116.44 1s6n s GLN 37 Ca 0.34 -0.71 -0.19 0.00 -1.82 0.00 0.00 55.36 52.98 1s6n s GLN 37 Cb 0.07 -1.25 0.09 0.00 -1.09 0.00 0.00 33.01 30.83 1s6n s GLN 37 CO 0.17 0.33 0.71 -0.47 -1.32 0.00 0.00 175.29 174.70 1s6n s TYR 38 N -0.59 2.98 -2.00 9.60 5.04 -0.31 -0.99 117.35 131.08 1s6n s TYR 38 Ca 0.05 -0.83 0.05 0.00 -2.44 0.00 0.00 57.07 53.90 1s6n s TYR 38 Cb -0.07 -3.93 0.32 0.00 0.35 0.00 0.00 41.96 38.63 1s6n s TYR 38 CO 0.00 -1.26 1.04 0.25 -1.34 0.00 0.00 175.55 174.24 1s6n n THR 39 N 5.59 0.00 -4.40 4.34 -2.24 0.38 -4.46 114.28 113.50 1s6n n THR 39 Ca -0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 1s6n n THR 39 Cb 0.43 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.35 1.93 0.00 3.38 0.00 -1.25 -4.98 107.32 105.05 1s6n s GLY 40 Ca 0.08 -1.98 0.20 0.00 0.00 0.00 0.00 44.72 43.02 1s6n s GLY 40 CO 0.06 -1.73 1.12 -1.30 0.00 0.00 0.00 173.10 171.26 1s6n n THR 41 N -0.59 0.00 -4.31 0.90 -2.24 -1.26 -4.52 114.28 102.26 1s6n n THR 41 Ca -0.02 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 1s6n n THR 41 Cb 0.66 1.40 -0.09 0.00 -2.10 0.00 0.00 70.33 70.20 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 -1.73 1.29 0.00 3.42 -4.77 -1.26 -4.64 116.67 108.99 1s6n s ASP 42 Ca 0.23 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 47.95 1s6n s ASP 42 Cb 0.17 0.38 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1s6n s ASP 42 CO 0.27 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 175.88 1s6n n GLY 43 N -0.52 0.78 3.53 2.12 0.00 -1.26 -4.89 105.19 104.93 1s6n n GLY 43 Ca 0.02 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.12 0.51 -3.91 1.61 -0.02 -1.26 -4.81 135.00 127.01 1s6n n PRO 44 Ca 0.00 -0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1s6n n PRO 44 Cb 0.04 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 30.98 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 -3.96 3.12 -0.10 0.00 2.20 0.45 0.36 119.74 121.81 1s6n s LYS 46 Ca 0.17 -1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 1s6n s LYS 46 Cb 0.01 -4.31 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 1s6n s LYS 46 CO 0.02 -1.63 1.79 0.54 -0.36 0.00 0.00 175.35 175.71 1s6n s VAL 47 N 3.02 3.41 -1.11 4.02 0.11 -1.09 -1.44 120.40 127.32 1s6n s VAL 47 Ca 0.16 0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 59.50 1s6n s VAL 47 Cb -0.20 -3.37 0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1s6n s VAL 47 CO 0.06 -0.11 1.46 -2.16 -3.33 0.00 0.00 175.10 171.02 1s6n s PRO 48 N 4.61 3.79 0.02 1.54 0.04 -1.26 -4.56 135.00 139.17 1s6n s PRO 48 Ca 0.80 -1.74 0.01 0.00 0.04 0.00 0.00 61.00 60.11 1s6n s PRO 48 Cb -0.33 -5.27 -0.04 0.00 0.04 0.00 0.00 34.50 28.90 1s6n s PRO 48 CO 0.33 -2.06 0.08 -1.50 0.04 0.00 0.00 177.00 173.88 1s6n s ILE 49 N 3.74 4.64 0.20 0.56 2.07 -1.26 -0.53 121.20 130.62 1s6n s ILE 49 Ca 0.45 -0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 59.05 1s6n s ILE 49 Cb -0.00 -3.15 -0.00 0.00 0.13 0.00 0.00 42.46 39.43 1s6n s ILE 49 CO -0.03 0.28 0.38 -0.55 -1.91 0.00 0.00 174.94 173.11 1s6n s SER 50 N -1.93 -0.04 -0.21 4.50 0.15 0.24 -4.92 113.70 111.49 1s6n s SER 50 Ca 0.25 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 55.97 1s6n s SER 50 Cb -0.12 0.51 0.09 0.00 -1.71 0.00 0.00 66.02 64.78 1s6n s SER 50 CO 0.16 -1.00 0.17 -0.55 1.20 0.00 0.00 173.24 173.21 1s6n s SER 51 N -2.99 2.09 0.15 5.45 0.15 -1.26 -2.29 113.70 115.00 1s6n s SER 51 Ca 0.20 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1s6n s SER 51 Cb 0.02 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1s6n s SER 51 CO 0.04 -0.36 0.00 0.68 1.20 0.00 0.00 173.24 174.80 1s6n s VAL 52 N 2.23 0.55 -0.98 4.45 -7.23 -0.08 -0.82 120.40 118.52 1s6n s VAL 52 Ca 0.06 -1.95 0.14 0.00 -1.81 0.00 0.00 61.98 58.41 1s6n s VAL 52 Cb -0.16 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 1s6n s VAL 52 CO -0.17 -0.56 0.69 0.00 -0.31 0.00 0.00 175.10 174.75 1s6n n ALA 53 N -0.17 3.46 -2.42 1.32 0.00 -1.26 -0.21 120.51 121.22 1s6n n ALA 53 Ca -0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.89 1s6n n ALA 53 Cb 0.63 -0.51 0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.77 -0.48 -0.43 0.00 7.64 -1.26 -4.19 113.62 114.14 1s6n n SER 54 Ca 0.04 -2.08 -0.05 0.00 1.01 0.00 0.00 58.87 57.79 1s6n n SER 54 Cb 0.26 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1s6n n SER 54 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s6n n LEU 55 N -0.53 0.27 -2.12 -3.43 4.77 -1.26 -4.88 117.00 109.82 1s6n n LEU 55 Ca -0.14 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 1s6n n LEU 55 Cb 0.84 -2.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.54 1s6n n LEU 55 CO -0.10 -0.91 0.67 -0.46 -1.33 0.00 0.00 177.39 175.26 1s6n n ASN 56 N -0.70 1.85 0.00 -1.43 6.94 -1.26 -4.73 115.26 115.94 1s6n n ASN 56 Ca -0.05 -1.70 0.03 0.00 -0.02 0.00 0.00 54.58 52.84 1s6n n ASN 56 Cb 0.49 -0.46 0.12 0.00 -2.36 0.00 0.00 39.78 37.57 1s6n n ASN 56 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1s6n n ASP 57 N 2.41 0.00 0.01 0.53 2.03 -1.26 -1.13 116.55 119.14 1s6n n ASP 57 Ca 0.09 0.45 0.01 0.00 0.52 0.00 0.00 54.79 55.85 1s6n n ASP 57 Cb 0.26 -0.46 0.04 0.00 -0.72 0.00 0.00 41.12 40.24 1s6n n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6n n LEU 58 N -1.46 0.04 -3.61 -2.67 -0.00 -1.26 -4.48 117.00 103.56 1s6n n LEU 58 Ca 0.02 0.48 -0.05 0.00 -0.00 0.00 0.00 56.01 56.46 1s6n n LEU 58 Cb 0.06 -0.48 -0.07 0.00 -0.00 0.00 0.00 43.42 42.93 1s6n n LEU 58 CO 0.05 -0.49 0.12 -0.89 -0.00 0.00 0.00 177.39 176.17 1s6n s THR 59 N -2.97 -0.80 0.35 1.47 2.01 -0.28 -5.16 115.64 110.27 1s6n s THR 59 Ca -0.00 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1s6n s THR 59 Cb 0.00 -0.82 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 1s6n s THR 59 CO 0.01 0.03 1.25 -2.16 -0.69 0.00 0.00 174.62 173.07 1s6n s PRO 60 N 2.73 4.25 -0.04 4.92 0.04 -1.26 -4.89 135.00 140.76 1s6n s PRO 60 Ca -0.01 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.13 1s6n s PRO 60 Cb -0.12 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1s6n s PRO 60 CO -0.16 -0.22 -0.01 0.28 0.04 0.00 0.00 177.00 176.93 1s6n n VAL 61 N 0.57 0.25 -1.99 -0.36 0.31 -0.12 -4.76 118.33 112.23 1s6n n VAL 61 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1s6n n VAL 61 Cb 0.43 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 3.00 0.81 3.32 2.92 0.00 -0.00 -0.15 105.19 115.09 1s6n n GLY 62 Ca -0.07 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.29 1.48 0.15 1.61 1.70 -1.10 -4.29 118.95 117.22 1s6n s ARG 63 Ca 0.00 -1.82 -0.25 0.00 -0.47 0.00 0.00 55.73 53.19 1s6n s ARG 63 Cb 0.00 -0.16 -0.08 0.00 -0.57 0.00 0.00 34.95 34.14 1s6n s ARG 63 CO 0.00 -0.37 0.76 -0.51 -1.08 0.00 0.00 175.30 174.10 1s6n s LEU 64 N -3.33 4.58 -0.15 -1.89 2.01 -1.26 -0.36 118.68 118.28 1s6n s LEU 64 Ca 0.37 1.61 -0.07 0.00 0.01 0.00 0.00 54.13 56.04 1s6n s LEU 64 Cb 0.06 -3.26 -0.06 0.00 0.01 0.00 0.00 46.19 42.94 1s6n s LEU 64 CO 0.15 0.21 -0.19 0.52 1.01 0.00 0.00 176.35 178.05 1s6n n VAL 65 N 1.66 0.81 -0.24 -1.59 0.31 0.08 -4.78 118.33 114.59 1s6n n VAL 65 Ca -0.06 -0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.04 1s6n n VAL 65 Cb 0.49 -1.69 0.09 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.52 1.04 -3.00 2.52 2.02 -1.83 -3.46 112.91 109.67 1s6n h THR 66 Ca -0.38 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1s6n h THR 66 Cb 1.33 0.19 -0.11 0.00 -1.74 0.00 0.00 68.15 67.82 1s6n h THR 66 CO -0.23 0.14 0.21 0.54 0.37 0.00 0.00 175.52 176.56 1s6n s VAL 67 N -6.11 0.00 -0.08 3.16 0.11 -1.26 -5.04 120.40 111.18 1s6n s VAL 67 Ca -0.13 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 1s6n s VAL 67 Cb 0.16 -1.20 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 1s6n s VAL 67 CO 0.76 -0.00 2.01 -3.20 -3.33 0.00 0.00 175.10 171.34 1s6n n ASN 68 N -0.39 3.62 -4.56 3.54 2.85 -1.26 -4.87 115.26 114.18 1s6n n ASN 68 Ca -0.14 0.76 -0.32 0.00 -0.11 0.00 0.00 54.58 54.76 1s6n n ASN 68 Cb 0.64 -1.46 -0.04 0.00 1.24 0.00 0.00 39.78 40.16 1s6n n ASN 68 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1s6n s PRO 69 N 4.83 2.68 -0.07 1.20 0.04 -1.26 -4.90 135.00 137.51 1s6n s PRO 69 Ca 0.94 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.89 1s6n s PRO 69 Cb -0.53 -4.82 0.03 0.00 0.04 0.00 0.00 34.50 29.22 1s6n s PRO 69 CO 0.45 -3.03 0.18 -0.59 0.04 0.00 0.00 177.00 174.05 1s6n s PHE 70 N 9.21 -0.21 -0.91 0.56 -0.71 -1.26 -3.30 117.98 121.36 1s6n s PHE 70 Ca 0.66 0.54 -0.25 0.00 -1.04 0.00 0.00 56.93 56.84 1s6n s PHE 70 Cb -0.08 0.02 -0.06 0.00 -1.21 0.00 0.00 43.02 41.69 1s6n s PHE 70 CO 0.06 -0.14 1.98 0.08 -1.34 0.00 0.00 175.22 175.86 1s6n s VAL 71 N 0.64 3.42 0.40 -2.49 1.01 0.16 -4.86 120.40 118.69 1s6n s VAL 71 Ca -0.05 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1s6n s VAL 71 Cb -0.06 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.54 1s6n s VAL 71 CO -0.03 -0.89 1.96 0.28 0.00 0.00 0.00 175.10 176.42 1s6n h SER 72 N 11.32 0.22 -5.13 3.32 0.02 -1.91 -2.11 113.55 119.29 1s6n h SER 72 Ca 0.10 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1s6n h SER 72 Cb 1.00 -0.06 -0.16 0.00 0.14 0.00 0.00 62.40 63.32 1s6n h SER 72 CO 1.20 0.33 -0.51 0.68 -1.14 0.00 0.00 176.83 177.39 1s6n s VAL 73 N -4.84 0.15 0.51 2.27 -7.23 -1.26 -4.88 120.40 105.12 1s6n s VAL 73 Ca -0.06 -1.23 0.28 0.00 -1.81 0.00 0.00 61.98 59.16 1s6n s VAL 73 Cb 0.16 -1.10 0.32 0.00 0.56 0.00 0.00 36.38 36.32 1s6n s VAL 73 CO 0.72 -0.68 2.17 0.00 -0.31 0.00 0.00 175.10 177.01 1s6n h ALA 74 N 3.37 1.45 0.00 1.32 0.00 -1.87 -2.48 119.26 121.05 1s6n h ALA 74 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1s6n h ALA 74 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1s6n h ALA 74 CO 0.54 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1s6n n THR 75 N -3.81 0.00 0.43 0.00 -2.24 -1.26 -4.12 114.28 103.28 1s6n n THR 75 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1s6n n THR 75 Cb 0.15 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.77 1.65 0.23 6.98 0.00 -0.93 -4.50 120.51 123.17 1s6n n ALA 76 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1s6n n ALA 76 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.26 0.05 -4.41 0.00 4.13 -1.26 -4.52 115.26 108.99 1s6n n ASN 77 Ca 0.00 -0.28 -0.29 0.00 1.68 0.00 0.00 54.58 55.69 1s6n n ASN 77 Cb 0.02 -0.02 0.17 0.00 -1.54 0.00 0.00 39.78 38.40 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 -1.65 1.76 -0.29 5.41 0.00 -1.26 -4.49 121.76 121.24 1s6n s ALA 78 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1s6n s ALA 78 Cb 0.00 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1s6n s ALA 78 CO 0.00 -2.53 -0.03 0.21 0.00 0.00 0.00 175.76 173.41 1s6n s LYS 79 N -5.51 2.27 -0.10 0.00 2.36 -1.26 -1.16 119.74 116.34 1s6n s LYS 79 Ca 0.68 -1.36 -0.05 0.00 -2.55 0.00 0.00 55.97 52.69 1s6n s LYS 79 Cb -0.10 -3.09 0.05 0.00 -1.05 0.00 0.00 37.83 33.64 1s6n s LYS 79 CO 0.53 -0.64 0.23 0.54 1.55 0.00 0.00 175.35 177.56 1s6n s VAL 80 N 1.17 -0.11 0.14 4.02 0.11 0.41 -4.99 120.40 121.14 1s6n s VAL 80 Ca -0.05 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1s6n s VAL 80 Cb -0.20 -0.37 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 1s6n s VAL 80 CO -0.03 0.08 0.97 -0.76 -3.33 0.00 0.00 175.10 172.03 1s6n s LEU 81 N 1.49 4.52 -0.06 2.54 1.43 -1.26 -1.68 118.68 125.67 1s6n s LEU 81 Ca -0.07 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1s6n s LEU 81 Cb -0.11 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1s6n s LEU 81 CO -0.08 -0.05 -0.08 -0.63 0.23 0.00 0.00 176.35 175.74 1s6n s ILE 82 N -0.20 0.79 0.09 -0.59 1.01 0.37 -4.94 121.20 117.73 1s6n s ILE 82 Ca 0.46 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 1s6n s ILE 82 Cb -0.24 -0.77 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 1s6n s ILE 82 CO 0.31 0.28 0.92 -1.61 0.00 0.00 0.00 174.94 174.84 1s6n s GLU 83 N 0.85 4.64 0.29 2.79 2.02 -1.26 -0.49 118.70 127.55 1s6n s GLU 83 Ca -0.12 1.36 0.10 0.00 0.02 0.00 0.00 54.97 56.33 1s6n s GLU 83 Cb -0.15 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1s6n s GLU 83 CO 0.01 0.21 -0.03 -0.51 0.02 0.00 0.00 175.26 174.96 1s6n s LEU 84 N 0.06 3.03 -0.20 1.80 1.02 0.19 -0.74 118.68 123.83 1s6n s LEU 84 Ca 0.45 -0.82 -0.16 0.00 0.02 0.00 0.00 54.13 53.63 1s6n s LEU 84 Cb -0.22 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1s6n s LEU 84 CO 0.28 -0.07 0.40 -0.70 0.02 0.00 0.00 176.35 176.28 1s6n s GLU 85 N -3.66 4.17 -0.03 1.70 2.12 0.51 -0.41 118.70 123.10 1s6n s GLU 85 Ca 0.32 0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 1s6n s GLU 85 Cb -0.04 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1s6n s GLU 85 CO 0.19 -0.05 1.02 -1.25 -0.54 0.00 0.00 175.26 174.63 1s6n s PRO 86 N 1.34 4.49 0.98 4.30 0.04 -1.26 -3.18 135.00 141.72 1s6n s PRO 86 Ca 0.19 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1s6n s PRO 86 Cb -0.15 -3.48 0.18 0.00 0.04 0.00 0.00 34.50 31.09 1s6n s PRO 86 CO 0.08 -0.18 1.09 -1.25 0.04 0.00 0.00 177.00 176.78 1s6n s PRO 87 N 1.41 0.54 0.49 0.56 0.04 -1.26 -4.75 135.00 132.04 1s6n s PRO 87 Ca 0.52 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 1s6n s PRO 87 Cb -0.21 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1s6n s PRO 87 CO 0.24 -2.67 0.77 -0.06 0.04 0.00 0.00 177.00 175.32 1s6n s PHE 88 N -2.95 3.37 0.00 0.56 0.08 -1.26 -4.46 117.98 113.31 1s6n s PHE 88 Ca 0.65 0.55 0.00 0.00 0.12 0.00 0.00 56.93 58.25 1s6n s PHE 88 Cb -0.19 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1s6n s PHE 88 CO 0.58 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.68 1s6n n GLY 89 N -2.26 2.17 3.66 4.36 0.00 -0.05 -4.81 105.19 108.25 1s6n n GLY 89 Ca 0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.00 4.06 -0.41 1.61 1.01 -1.26 -0.16 116.67 117.53 1s6n s ASP 90 Ca 0.00 -1.27 0.04 0.00 0.71 0.00 0.00 52.55 52.02 1s6n s ASP 90 Cb 0.00 -0.43 0.16 0.00 1.01 0.00 0.00 42.92 43.67 1s6n s ASP 90 CO 0.00 -0.48 0.39 -0.44 0.21 0.00 0.00 175.17 174.85 1s6n s SER 91 N -3.78 1.10 -0.08 0.27 0.01 0.48 -4.42 113.70 107.27 1s6n s SER 91 Ca 0.37 -2.26 -0.24 0.00 1.31 0.00 0.00 55.95 55.14 1s6n s SER 91 Cb 0.08 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 1s6n s SER 91 CO 0.20 -0.20 0.72 -0.31 0.41 0.00 0.00 173.24 174.05 1s6n s TYR 92 N 0.77 3.55 -0.46 2.43 2.02 0.70 -0.96 117.35 125.40 1s6n s TYR 92 Ca 0.25 1.24 0.02 0.00 -0.37 0.00 0.00 57.07 58.21 1s6n s TYR 92 Cb -0.07 -2.83 0.12 0.00 -0.40 0.00 0.00 41.96 38.78 1s6n s TYR 92 CO -0.09 0.03 0.21 0.42 -1.57 0.00 0.00 175.55 174.56 1s6n s ILE 93 N 1.03 2.76 -0.02 2.71 -1.09 0.49 -0.90 121.20 126.18 1s6n s ILE 93 Ca 0.37 -2.79 -0.04 0.00 -2.23 0.00 0.00 60.65 55.96 1s6n s ILE 93 Cb -0.18 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1s6n s ILE 93 CO 0.17 -0.73 0.20 -0.69 -1.23 0.00 0.00 174.94 172.65 1s6n s VAL 94 N 0.31 5.42 -0.33 2.92 1.01 -0.97 -0.23 120.40 128.52 1s6n s VAL 94 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1s6n s VAL 94 Cb -0.22 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.75 1s6n s VAL 94 CO -0.04 0.37 0.17 -0.69 0.00 0.00 0.00 175.10 174.92 1s6n s VAL 95 N -1.29 0.25 0.00 2.92 1.01 0.06 -0.59 120.40 122.75 1s6n s VAL 95 Ca 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1s6n s VAL 95 Cb -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1s6n s VAL 95 CO 0.16 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 175.01 1s6n n GLY 96 N 4.49 1.57 2.62 4.51 0.00 0.31 -0.08 105.19 118.61 1s6n n GLY 96 Ca 0.04 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 0.13 1.42 1.61 1.70 0.22 -4.72 118.95 117.31 1s6n s ARG 97 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1s6n s ARG 97 Cb 0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 34.95 32.54 1s6n s ARG 97 CO 0.00 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 1s6n n GLY 98 N 5.25 0.77 0.25 3.88 0.00 -1.26 -1.39 105.19 112.69 1s6n n GLY 98 Ca -0.07 0.74 0.16 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.94 1.61 9.09 -2.04 -3.38 114.58 115.92 1s6n h GLU 99 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 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 -0.68 1.14 0.05 0.00 0.00 179.01 179.52 1s6n s GLN 100 N -3.58 1.70 0.05 1.06 -2.07 -0.48 -5.10 119.66 111.24 1s6n s GLN 100 Ca 0.02 -2.23 -0.02 0.00 -1.82 0.00 0.00 55.36 51.31 1s6n s GLN 100 Cb 0.09 -3.19 -0.03 0.00 -1.09 0.00 0.00 33.01 28.78 1s6n s GLN 100 CO 0.52 -1.03 -0.01 1.14 -1.32 0.00 0.00 175.29 174.59 1s6n s GLN 101 N 0.30 0.59 0.20 9.60 1.03 -1.26 -0.61 119.66 129.51 1s6n s GLN 101 Ca 0.14 -1.11 -0.08 0.00 0.04 0.00 0.00 55.36 54.35 1s6n s GLN 101 Cb -0.23 0.21 -0.02 0.00 0.03 0.00 0.00 33.01 33.01 1s6n s GLN 101 CO -0.04 -0.12 0.30 0.42 -2.54 0.00 0.00 175.29 173.31 1s6n s ILE 102 N -3.58 0.03 -0.03 3.63 1.01 0.89 -4.96 121.20 118.19 1s6n s ILE 102 Ca 0.04 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 58.97 1s6n s ILE 102 Cb 0.05 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.43 1s6n s ILE 102 CO -0.09 -0.14 0.33 0.54 0.00 0.00 0.00 174.94 175.58 1s6n s ASN 103 N -3.03 -0.22 0.30 3.58 4.22 -1.26 -0.76 114.94 117.76 1s6n s ASN 103 Ca 0.24 0.16 0.09 0.00 -2.14 0.00 0.00 52.86 51.22 1s6n s ASN 103 Cb 0.03 0.36 -0.06 0.00 1.28 0.00 0.00 41.25 42.86 1s6n s ASN 103 CO 0.06 -0.43 -0.11 -1.00 -2.04 0.00 0.00 177.10 173.58 1s6n s HIS 104 N -1.20 2.18 -0.02 1.54 3.76 0.68 -4.99 115.29 117.23 1s6n s HIS 104 Ca -0.12 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 1s6n s HIS 104 Cb -0.05 -1.17 0.03 0.00 1.11 0.00 0.00 32.58 32.50 1s6n s HIS 104 CO 0.04 0.50 0.01 -1.01 -0.85 0.00 0.00 174.74 173.43 1s6n s HIS 105 N -2.74 0.23 0.16 1.40 0.09 -1.26 -0.38 115.29 112.80 1s6n s HIS 105 Ca 0.30 0.03 -0.07 0.00 -0.00 0.00 0.00 55.06 55.32 1s6n s HIS 105 Cb 0.01 -0.34 -0.01 0.00 -0.00 0.00 0.00 32.58 32.23 1s6n s HIS 105 CO 0.14 -0.11 0.25 -0.46 -0.00 0.00 0.00 174.74 174.56 1s6n s TRP 106 N 0.94 0.51 -0.13 1.40 -0.00 -0.13 -4.88 118.94 116.65 1s6n s TRP 106 Ca -0.09 -0.86 -0.04 0.00 -0.00 0.00 0.00 56.10 55.11 1s6n s TRP 106 Cb -0.12 -0.14 0.06 0.00 -0.00 0.00 0.00 33.47 33.27 1s6n s TRP 106 CO -0.02 -0.70 0.18 -1.01 -0.00 0.00 0.00 176.95 175.41 1s6n s HIS 107 N -3.99 -0.21 -0.38 5.86 3.76 -1.26 -0.39 115.29 118.68 1s6n s HIS 107 Ca 0.19 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.61 1s6n s HIS 107 Cb 0.04 -0.29 0.16 0.00 1.11 0.00 0.00 32.58 33.59 1s6n s HIS 107 CO 0.01 -0.39 0.34 0.21 -0.85 0.00 0.00 174.74 174.06 1s6n s LYS 108 N 2.31 0.69 -0.37 1.40 2.20 0.78 -4.93 119.74 121.81 1s6n s LYS 108 Ca 0.04 -1.26 -0.09 0.00 -0.36 0.00 0.00 55.97 54.30 1s6n s LYS 108 Cb -0.13 -0.99 0.01 0.00 -1.51 0.00 0.00 37.83 35.20 1s6n s LYS 108 CO -0.08 -1.25 0.33 -1.13 -0.36 0.00 0.00 175.35 172.86 1s6n n SER 109 N 3.83 -7.95 0.00 1.43 3.41 -0.56 -0.87 113.62 112.91 1s6n n SER 109 Ca 0.15 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1s6n n SER 109 Cb 0.44 -5.28 0.00 0.00 -0.26 0.00 0.00 64.21 59.11 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 0.17 1.64 3.56 5.00 0.00 0.12 -2.81 105.19 112.88 1s6n n GLY 110 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -0.70 0.17 1.61 2.88 0.56 -4.50 113.62 113.64 1s6n n SER 111 Ca 0.00 0.23 0.10 0.00 -1.33 0.00 0.00 58.87 57.86 1s6n n SER 111 Cb 0.00 -1.35 0.52 0.00 -0.75 0.00 0.00 64.21 62.62 1s6n n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1s6n h SER 112 N -2.07 0.00 -0.09 -3.46 0.02 -1.90 0.11 113.55 106.17 1s6n h SER 112 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1s6n h SER 112 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1s6n h SER 112 CO 0.42 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.73 1s6n n ILE 113 N -2.21 0.34 0.00 3.27 -0.00 -1.26 -5.03 119.36 114.46 1s6n n ILE 113 Ca -0.01 -0.67 0.00 0.00 -0.00 0.00 0.00 62.75 62.07 1s6n n ILE 113 Cb 0.17 0.94 0.00 0.00 -0.00 0.00 0.00 39.64 40.75 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1s6n n GLY 114 N 0.37 1.64 0.03 7.39 0.00 0.39 -5.12 105.19 109.89 1s6n n GLY 114 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90