#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 -0.12 0.38 4.38 0.15 -1.22 -3.00 113.70 114.27 1s6n s SER 2 Ca 0.00 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1s6n s SER 2 Cb 0.00 0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1s6n s SER 2 CO 0.00 -0.31 0.06 -1.83 1.20 0.00 0.00 173.24 172.37 1s6n s GLU 3 N -0.91 1.82 -0.27 5.44 1.03 -1.26 -5.07 118.70 119.48 1s6n s GLU 3 Ca -0.10 -2.06 -0.14 0.00 0.03 0.00 0.00 54.97 52.70 1s6n s GLU 3 Cb -0.05 -0.98 -0.13 0.00 -0.80 0.00 0.00 34.13 32.17 1s6n s GLU 3 CO 0.02 -0.27 -0.28 1.19 -1.33 0.00 0.00 175.26 174.60 1s6n n PHE 4 N -0.85 0.13 0.04 4.83 3.72 -1.26 -4.53 117.46 119.55 1s6n n PHE 4 Ca -0.06 0.06 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1s6n n PHE 4 Cb 0.66 -1.01 0.42 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.94 0.44 -0.72 -1.08 -0.00 -1.99 -1.18 115.11 109.65 1s6n h GLN 5 Ca -0.66 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 57.92 1s6n h GLN 5 Cb 1.60 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 28.96 1s6n h GLN 5 CO -0.38 0.36 0.34 1.25 -0.00 0.00 0.00 178.83 180.40 1s6n h LEU 6 N 0.45 0.92 -0.38 0.06 7.12 -2.00 -2.96 115.31 118.52 1s6n h LEU 6 Ca 0.11 -0.10 -0.16 0.00 0.13 0.00 0.00 57.88 57.86 1s6n h LEU 6 Cb 0.08 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1s6n h LEU 6 CO -0.01 0.78 -0.39 0.11 -0.13 0.00 0.00 178.44 178.80 1s6n h LYS 7 N 1.01 0.92 0.00 1.25 1.79 -1.46 -3.40 116.57 116.69 1s6n h LYS 7 Ca 0.25 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1s6n h LYS 7 Cb 0.10 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1s6n h LYS 7 CO -0.03 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.89 1s6n n GLY 8 N 0.15 0.00 3.26 3.86 0.00 -0.99 -4.56 105.19 106.91 1s6n n GLY 8 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 0.86 1.32 0.31 2.61 -2.24 -1.26 -4.75 114.28 111.14 1s6n n THR 9 Ca 0.00 -1.18 0.20 0.00 -2.27 0.00 0.00 64.05 60.80 1s6n n THR 9 Cb 0.00 -2.22 0.98 0.00 -2.10 0.00 0.00 70.33 67.00 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 4.85 0.00 -2.34 4.28 1.35 -1.90 -3.46 112.91 115.69 1s6n h THR 10 Ca 0.35 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.99 1s6n h THR 10 Cb 0.71 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1s6n h THR 10 CO 1.88 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 177.22 1s6n n TYR 11 N -3.04 -1.33 -1.65 4.73 9.36 -1.26 -5.04 117.16 118.93 1s6n n TYR 11 Ca -0.01 -0.58 -0.44 0.00 3.32 0.00 0.00 57.90 60.19 1s6n n TYR 11 Cb 0.16 0.27 -0.04 0.00 -0.63 0.00 0.00 39.34 39.10 1s6n n TYR 11 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s6n n GLY 12 N -0.16 1.62 3.55 2.98 0.00 -1.26 -4.48 105.19 107.44 1s6n n GLY 12 Ca -0.02 0.83 -0.37 0.00 0.00 0.00 0.00 46.02 46.45 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 5.01 3.27 0.14 1.61 0.11 -1.26 -0.62 120.40 128.66 1s6n s VAL 13 Ca 0.92 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.92 1s6n s VAL 13 Cb -0.49 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 30.69 1s6n s VAL 13 CO 0.44 -0.69 0.47 0.00 -3.33 0.00 0.00 175.10 171.98 1s6n n SER 15 N -0.28 0.71 0.00 0.00 3.41 -1.26 -2.48 113.62 113.72 1s6n n SER 15 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1s6n n SER 15 Cb 0.64 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.25 0.00 -3.53 4.33 4.81 -1.26 -4.55 118.16 116.71 1s6n n LYS 16 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1s6n n LYS 16 Cb 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.08 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 -0.94 4.20 0.20 3.14 0.00 -1.26 -5.01 121.76 122.09 1s6n s ALA 17 Ca 0.00 -3.63 0.04 0.00 0.00 0.00 0.00 51.96 48.36 1s6n s ALA 17 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1s6n s ALA 17 CO 0.00 -2.18 -0.03 -0.06 0.00 0.00 0.00 175.76 173.49 1s6n s PHE 18 N -0.80 1.45 -0.06 0.00 0.08 -1.26 -1.20 117.98 116.18 1s6n s PHE 18 Ca 0.24 -0.89 -0.14 0.00 0.12 0.00 0.00 56.93 56.26 1s6n s PHE 18 Cb -0.11 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1s6n s PHE 18 CO -0.09 -0.02 0.34 0.21 -0.10 0.00 0.00 175.22 175.55 1s6n s LYS 19 N -3.84 0.57 0.35 0.44 2.20 0.13 -4.65 119.74 114.94 1s6n s LYS 19 Ca 0.25 0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.68 1s6n s LYS 19 Cb 0.05 0.26 -0.10 0.00 -1.51 0.00 0.00 37.83 36.53 1s6n s LYS 19 CO 0.06 -0.13 1.34 -0.06 -0.36 0.00 0.00 175.35 176.20 1s6n s PHE 20 N -0.69 2.93 -0.03 4.03 0.40 -1.26 -0.43 117.98 122.92 1s6n s PHE 20 Ca -0.08 1.36 -0.03 0.00 -0.60 0.00 0.00 56.93 57.59 1s6n s PHE 20 Cb -0.04 -3.75 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 1s6n s PHE 20 CO 0.03 -2.12 -0.07 -0.11 0.70 0.00 0.00 175.22 173.66 1s6n n LEU 21 N 0.66 0.55 -4.00 -0.37 -0.00 -0.02 -4.76 117.00 109.06 1s6n n LEU 21 Ca 0.01 0.09 -0.31 0.00 -0.00 0.00 0.00 56.01 55.79 1s6n n LEU 21 Cb 0.41 -0.20 -0.16 0.00 -0.00 0.00 0.00 43.42 43.47 1s6n n LEU 21 CO 0.60 -0.06 -0.45 -0.83 -0.00 0.00 0.00 177.39 176.65 1s6n s GLY 22 N -4.90 1.35 0.36 -3.96 0.00 -0.06 -5.00 107.32 95.12 1s6n s GLY 22 Ca -0.07 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.04 1s6n s GLY 22 CO 0.09 0.72 1.05 -1.30 0.00 0.00 0.00 173.10 173.66 1s6n n THR 23 N 4.63 2.19 -1.69 0.90 -2.24 -1.26 -1.05 114.28 115.76 1s6n n THR 23 Ca -0.14 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.75 1s6n n THR 23 Cb 0.45 -1.17 0.03 0.00 -2.10 0.00 0.00 70.33 67.55 1s6n n THR 23 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1s6n n PRO 24 N 0.43 1.54 -3.75 -0.78 -0.04 -1.26 -4.74 135.00 126.39 1s6n n PRO 24 Ca 0.09 0.56 -0.23 0.00 -0.04 0.00 0.00 63.50 63.88 1s6n n PRO 24 Cb 0.36 -2.38 -0.18 0.00 -0.04 0.00 0.00 33.50 31.27 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6n s ALA 25 N -1.31 0.63 0.07 0.55 0.00 0.14 -4.97 121.76 116.86 1s6n s ALA 25 Ca 0.69 -0.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 1s6n s ALA 25 Cb -0.45 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.84 1s6n s ALA 25 CO 0.52 -0.50 1.64 0.34 0.00 0.00 0.00 175.76 177.76 1s6n s ASP 26 N 2.01 6.61 0.00 0.00 -1.08 -1.26 -1.28 116.67 121.67 1s6n s ASP 26 Ca 0.05 2.47 0.15 0.00 -0.52 0.00 0.00 52.55 54.70 1s6n s ASP 26 Cb -0.12 -2.56 0.70 0.00 -1.46 0.00 0.00 42.92 39.47 1s6n s ASP 26 CO -0.05 -0.88 1.46 0.35 0.52 0.00 0.00 175.17 176.57 1s6n n THR 27 N 4.70 0.80 -0.11 1.71 -2.24 0.76 -4.88 114.28 115.01 1s6n n THR 27 Ca 0.16 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1s6n n THR 27 Cb 0.41 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.04 1.33 0.87 3.38 0.00 -1.26 -4.77 105.19 104.78 1s6n n GLY 28 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.41 -0.34 1.61 8.25 -1.26 -4.93 115.22 116.96 1s6n n HIS 29 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 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 1.32 0.79 3.30 -1.41 0.00 -1.26 -5.10 105.19 102.83 1s6n n GLY 30 Ca 0.18 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 1.25 -0.20 2.61 -4.23 -1.26 -4.19 115.64 107.62 1s6n s THR 31 Ca 0.00 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1s6n s THR 31 Cb 0.00 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 1s6n s THR 31 CO 0.00 -0.58 -0.07 0.68 -0.54 0.00 0.00 174.62 174.11 1s6n s VAL 32 N -3.28 3.25 0.01 2.29 -7.23 0.58 -0.17 120.40 115.84 1s6n s VAL 32 Ca 0.22 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1s6n s VAL 32 Cb 0.03 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1s6n s VAL 32 CO 0.04 0.45 0.96 0.68 -0.31 0.00 0.00 175.10 176.93 1s6n s VAL 33 N 1.27 4.85 -0.04 1.32 -7.23 -0.41 -1.23 120.40 118.93 1s6n s VAL 33 Ca 0.03 2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 62.22 1s6n s VAL 33 Cb -0.14 -4.31 0.03 0.00 0.56 0.00 0.00 36.38 32.52 1s6n s VAL 33 CO -0.03 0.18 0.09 -0.22 -0.31 0.00 0.00 175.10 174.81 1s6n s LEU 34 N 0.91 1.04 -0.11 1.32 0.20 0.18 -0.68 118.68 121.53 1s6n s LEU 34 Ca 0.51 0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.52 1s6n s LEU 34 Cb -0.21 0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.72 1s6n s LEU 34 CO 0.28 -0.12 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.35 1s6n s GLU 35 N 0.93 3.21 0.34 1.98 2.12 -0.21 -0.47 118.70 126.60 1s6n s GLU 35 Ca -0.07 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.58 1s6n s GLU 35 Cb -0.10 -2.51 -0.07 0.00 0.26 0.00 0.00 34.13 31.72 1s6n s GLU 35 CO -0.04 0.24 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.38 1s6n s LEU 36 N 0.26 2.60 0.02 2.70 1.02 -0.81 -0.84 118.68 123.63 1s6n s LEU 36 Ca -0.11 -1.28 0.08 0.00 0.02 0.00 0.00 54.13 52.84 1s6n s LEU 36 Cb -0.16 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 1s6n s LEU 36 CO 0.06 -0.39 -0.25 0.00 0.02 0.00 0.00 176.35 175.80 1s6n s GLN 37 N -3.72 1.97 -0.64 1.70 -2.07 0.42 -0.70 119.66 116.62 1s6n s GLN 37 Ca 0.33 -1.02 -0.18 0.00 -1.82 0.00 0.00 55.36 52.67 1s6n s GLN 37 Cb 0.06 -2.05 0.12 0.00 -1.09 0.00 0.00 33.01 30.05 1s6n s GLN 37 CO 0.15 0.54 0.73 -0.47 -1.32 0.00 0.00 175.29 174.93 1s6n s TYR 38 N -0.75 3.09 -0.77 9.60 6.14 0.14 -0.69 117.35 134.10 1s6n s TYR 38 Ca 0.12 -1.11 0.00 0.00 0.64 0.00 0.00 57.07 56.71 1s6n s TYR 38 Cb -0.10 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.27 1s6n s TYR 38 CO 0.01 -1.27 0.49 0.25 0.64 0.00 0.00 175.55 175.68 1s6n n THR 39 N 5.38 0.18 -3.83 4.34 -2.24 -0.34 -4.53 114.28 113.24 1s6n n THR 39 Ca -0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1s6n n THR 39 Cb 0.43 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.07 0.18 0.00 3.38 0.00 -1.26 -4.89 107.32 104.80 1s6n s GLY 40 Ca 0.00 -0.53 0.23 0.00 0.00 0.00 0.00 44.72 44.41 1s6n s GLY 40 CO 0.00 0.08 1.13 -1.30 0.00 0.00 0.00 173.10 173.01 1s6n n THR 41 N -0.53 0.00 -4.30 0.90 -2.24 -1.26 -4.60 114.28 102.25 1s6n n THR 41 Ca -0.07 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 1s6n n THR 41 Cb 0.60 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.94 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 -2.47 1.52 0.00 3.42 -4.77 -1.26 -4.73 116.67 108.38 1s6n s ASP 42 Ca 0.19 -1.66 0.00 0.00 -3.30 0.00 0.00 52.55 47.79 1s6n s ASP 42 Cb 0.18 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.51 1s6n s ASP 42 CO 0.56 -0.98 0.00 0.61 0.70 0.00 0.00 175.17 176.06 1s6n n GLY 43 N -0.59 0.58 3.55 2.12 0.00 -1.26 -4.70 105.19 104.89 1s6n n GLY 43 Ca 0.04 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.15 1.00 -3.98 1.61 -0.02 -1.26 -4.86 135.00 127.34 1s6n n PRO 44 Ca 0.00 -0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 1s6n n PRO 44 Cb 0.08 -3.48 -0.08 0.00 -0.02 0.00 0.00 33.50 30.00 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 3.59 -0.20 0.00 2.36 0.21 0.02 119.74 121.77 1s6n s LYS 46 Ca 0.15 -1.13 -0.33 0.00 -2.55 0.00 0.00 55.97 52.12 1s6n s LYS 46 Cb 0.05 -5.36 -0.10 0.00 -1.05 0.00 0.00 37.83 31.37 1s6n s LYS 46 CO -0.03 -2.21 2.06 1.55 1.55 0.00 0.00 175.35 178.28 1s6n n VAL 47 N 6.88 0.41 -2.18 4.02 3.14 -1.03 -2.09 118.33 127.47 1s6n n VAL 47 Ca 0.33 -0.24 -0.39 0.00 -2.96 0.00 0.00 64.34 61.08 1s6n n VAL 47 Cb 0.51 -1.99 -0.03 0.00 -1.06 0.00 0.00 33.84 31.27 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 5.31 2.78 0.05 1.45 0.04 -1.26 -4.58 135.00 138.79 1s6n s PRO 48 Ca 1.00 0.33 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1s6n s PRO 48 Cb -0.65 -4.38 -0.02 0.00 0.04 0.00 0.00 34.50 29.49 1s6n s PRO 48 CO 0.47 -2.61 -0.18 -1.50 0.04 0.00 0.00 177.00 173.22 1s6n s ILE 49 N 8.22 1.48 0.15 0.56 2.07 -1.26 -0.20 121.20 132.22 1s6n s ILE 49 Ca 0.59 -1.17 -0.08 0.00 -1.41 0.00 0.00 60.65 58.58 1s6n s ILE 49 Cb -0.11 -1.31 -0.01 0.00 0.13 0.00 0.00 42.46 41.16 1s6n s ILE 49 CO 0.18 0.11 0.25 -0.55 -1.91 0.00 0.00 174.94 173.02 1s6n s SER 50 N -1.24 0.07 -0.11 4.50 0.15 0.15 -4.95 113.70 112.27 1s6n s SER 50 Ca 0.05 -0.84 -0.03 0.00 0.70 0.00 0.00 55.95 55.83 1s6n s SER 50 Cb -0.09 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1s6n s SER 50 CO 0.02 -0.85 0.05 -0.55 1.20 0.00 0.00 173.24 173.11 1s6n s SER 51 N -2.95 1.92 0.30 5.45 0.15 -1.26 -1.81 113.70 115.50 1s6n s SER 51 Ca 0.15 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1s6n s SER 51 Cb 0.04 -0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 63.95 1s6n s SER 51 CO -0.02 -0.27 0.07 0.68 1.20 0.00 0.00 173.24 174.90 1s6n s VAL 52 N 2.05 0.94 -1.71 4.45 -7.23 -0.07 -0.56 120.40 118.28 1s6n s VAL 52 Ca 0.03 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.34 1s6n s VAL 52 Cb -0.14 -2.73 0.11 0.00 0.56 0.00 0.00 36.38 34.17 1s6n s VAL 52 CO -0.06 -0.00 0.93 0.00 -0.31 0.00 0.00 175.10 175.66 1s6n n ALA 53 N -0.60 2.48 -2.13 1.32 0.00 -1.26 0.10 120.51 120.43 1s6n n ALA 53 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 1s6n n ALA 53 Cb 0.66 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 0.76 -0.38 0.00 0.00 7.64 -1.26 -4.56 113.62 115.82 1s6n n SER 54 Ca 0.08 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1s6n n SER 54 Cb 0.34 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.13 0.85 -2.86 -3.43 4.77 -1.26 -4.88 117.00 110.32 1s6n n LEU 55 Ca -0.16 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1s6n n LEU 55 Cb 0.80 -1.87 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 1s6n n LEU 55 CO -0.10 -0.70 1.97 -0.46 -1.33 0.00 0.00 177.39 176.77 1s6n n ASN 56 N -0.26 4.33 0.00 -1.43 6.94 -1.26 -4.78 115.26 118.80 1s6n n ASN 56 Ca 0.00 -2.24 0.04 0.00 -0.02 0.00 0.00 54.58 52.36 1s6n n ASN 56 Cb 0.27 -1.01 0.19 0.00 -2.36 0.00 0.00 39.78 36.88 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 3.71 0.00 0.20 0.53 2.03 -1.26 -3.35 116.55 118.42 1s6n n ASP 57 Ca 0.38 0.11 0.13 0.00 0.52 0.00 0.00 54.79 55.94 1s6n n ASP 57 Cb 0.26 -0.24 0.72 0.00 -0.72 0.00 0.00 41.12 41.14 1s6n n ASP 57 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1s6n h LEU 58 N 0.00 0.00 -6.70 -2.67 -0.00 -2.02 -3.37 115.31 100.55 1s6n h LEU 58 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1s6n h LEU 58 Cb 0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 40.48 1s6n h LEU 58 CO 0.00 0.00 -0.27 -0.89 -0.00 0.00 0.00 178.44 177.28 1s6n s THR 59 N -3.68 -0.87 0.01 0.15 2.01 -1.21 -5.15 115.64 106.90 1s6n s THR 59 Ca -0.03 0.03 -0.37 0.00 0.31 0.00 0.00 61.69 61.63 1s6n s THR 59 Cb 0.08 -0.90 -0.16 0.00 0.01 0.00 0.00 72.50 71.52 1s6n s THR 59 CO 0.24 0.00 1.43 -2.65 -0.69 0.00 0.00 174.62 172.95 1s6n n PRO 60 N 5.42 1.16 0.01 4.92 -0.02 -1.26 -4.91 135.00 140.32 1s6n n PRO 60 Ca -0.07 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1s6n n PRO 60 Cb 0.50 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.99 1.23 -2.44 -1.45 0.31 0.05 -4.72 118.33 114.31 1s6n n VAL 61 Ca 0.20 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1s6n n VAL 61 Cb 0.18 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 1.45 1.86 3.37 2.92 0.00 0.28 -0.17 105.19 114.89 1s6n n GLY 62 Ca -0.13 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 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 0.54 1.78 0.02 1.61 3.03 -1.16 -4.38 118.95 120.40 1s6n s ARG 63 Ca 0.00 -2.05 -0.11 0.00 2.03 0.00 0.00 55.73 55.59 1s6n s ARG 63 Cb 0.00 -0.07 -0.06 0.00 -1.03 0.00 0.00 34.95 33.79 1s6n s ARG 63 CO 0.00 -0.56 0.37 -0.51 -1.13 0.00 0.00 175.30 173.48 1s6n s LEU 64 N -3.45 4.41 -0.18 -1.89 2.01 -1.26 -0.36 118.68 117.95 1s6n s LEU 64 Ca 0.34 0.82 -0.05 0.00 0.01 0.00 0.00 54.13 55.25 1s6n s LEU 64 Cb 0.03 -2.72 -0.09 0.00 0.01 0.00 0.00 46.19 43.42 1s6n s LEU 64 CO 0.21 0.26 -0.20 0.52 1.01 0.00 0.00 176.35 178.15 1s6n n VAL 65 N 1.39 1.00 -0.19 -1.59 0.31 0.05 -4.73 118.33 114.57 1s6n n VAL 65 Ca -0.12 -0.31 -0.07 0.00 -0.01 0.00 0.00 64.34 63.83 1s6n n VAL 65 Cb 0.53 -1.49 0.02 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.39 1.19 -2.82 2.52 2.02 -1.78 -3.48 112.91 110.18 1s6n h THR 66 Ca -0.43 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 1s6n h THR 66 Cb 1.49 0.51 -0.14 0.00 -1.74 0.00 0.00 68.15 68.27 1s6n h THR 66 CO -0.19 0.21 0.14 0.54 0.37 0.00 0.00 175.52 176.59 1s6n s VAL 67 N -5.80 0.01 0.16 3.16 0.11 -1.26 -5.04 120.40 111.74 1s6n s VAL 67 Ca -0.13 -0.10 -0.32 0.00 -2.93 0.00 0.00 61.98 58.50 1s6n s VAL 67 Cb 0.12 -1.01 -0.11 0.00 -1.53 0.00 0.00 36.38 33.86 1s6n s VAL 67 CO 0.77 -0.06 1.68 0.21 -3.33 0.00 0.00 175.10 174.37 1s6n s ASN 68 N -2.32 6.48 -0.85 3.54 3.84 -1.26 -4.87 114.94 119.50 1s6n s ASN 68 Ca -0.02 2.72 -0.26 0.00 0.21 0.00 0.00 52.86 55.52 1s6n s ASN 68 Cb -0.00 -2.59 -0.13 0.00 -0.55 0.00 0.00 41.25 37.98 1s6n s ASN 68 CO -0.07 -0.92 2.29 -2.84 -2.79 0.00 0.00 177.10 172.77 1s6n s PRO 69 N 1.61 1.76 -0.26 0.43 0.02 -1.26 -4.84 135.00 132.46 1s6n s PRO 69 Ca 0.74 0.22 -0.04 0.00 0.02 0.00 0.00 61.00 61.94 1s6n s PRO 69 Cb -0.46 -4.86 0.14 0.00 0.02 0.00 0.00 34.50 29.33 1s6n s PRO 69 CO 0.33 -4.33 0.50 0.12 -0.33 0.00 0.00 177.00 173.28 1s6n s PHE 70 N 14.02 -1.14 -0.88 6.54 5.36 -1.26 -2.64 117.98 137.96 1s6n s PHE 70 Ca 0.87 1.52 -0.25 0.00 -0.96 0.00 0.00 56.93 58.11 1s6n s PHE 70 Cb -0.11 0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1s6n s PHE 70 CO 0.07 -0.70 1.56 0.08 -1.46 0.00 0.00 175.22 174.77 1s6n s VAL 71 N 2.72 3.71 -1.27 3.12 1.01 0.10 -4.87 120.40 124.92 1s6n s VAL 71 Ca 0.08 -0.29 0.14 0.00 0.00 0.00 0.00 61.98 61.91 1s6n s VAL 71 Cb -0.14 -4.68 0.20 0.00 0.00 0.00 0.00 36.38 31.76 1s6n s VAL 71 CO -0.17 -1.60 1.42 -0.24 0.00 0.00 0.00 175.10 174.50 1s6n n SER 72 N 10.49 0.00 -3.53 3.32 2.88 -1.26 -2.47 113.62 123.05 1s6n n SER 72 Ca 0.26 0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.88 1s6n n SER 72 Cb 0.50 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1s6n n SER 72 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1s6n s VAL 73 N -2.73 0.01 0.37 2.46 -7.23 -1.26 -5.00 120.40 107.03 1s6n s VAL 73 Ca 0.11 -0.12 0.29 0.00 -1.81 0.00 0.00 61.98 60.45 1s6n s VAL 73 Cb 0.10 -0.98 0.31 0.00 0.56 0.00 0.00 36.38 36.36 1s6n s VAL 73 CO 0.23 -0.06 2.05 0.00 -0.31 0.00 0.00 175.10 177.01 1s6n h ALA 74 N 2.73 1.20 0.00 1.32 0.00 -1.88 -3.11 119.26 119.51 1s6n h ALA 74 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s6n h ALA 74 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1s6n h ALA 74 CO 0.40 0.14 0.00 2.41 0.00 0.00 0.00 179.25 182.20 1s6n n THR 75 N -3.52 0.00 0.75 0.00 -1.04 -1.26 -4.24 114.28 104.97 1s6n n THR 75 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1s6n n THR 75 Cb 0.26 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.00 1.86 0.28 2.41 0.00 -1.18 -4.56 120.51 118.32 1s6n n ALA 76 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 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 -0.36 0.16 -4.45 0.00 4.13 -1.26 -4.61 115.26 108.87 1s6n n ASN 77 Ca 0.00 -0.43 -0.27 0.00 1.68 0.00 0.00 54.58 55.56 1s6n n ASN 77 Cb 0.02 -0.08 0.14 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 -1.27 2.92 -0.28 5.41 0.00 -1.26 -4.53 121.76 122.75 1s6n s ALA 78 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 1s6n s ALA 78 Cb 0.00 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1s6n s ALA 78 CO 0.00 -1.91 0.02 0.21 0.00 0.00 0.00 175.76 174.08 1s6n s LYS 79 N -5.52 2.94 -0.09 0.00 2.36 -1.26 -0.68 119.74 117.48 1s6n s LYS 79 Ca 0.69 -0.94 -0.05 0.00 -2.55 0.00 0.00 55.97 53.12 1s6n s LYS 79 Cb -0.05 -3.22 0.04 0.00 -1.05 0.00 0.00 37.83 33.55 1s6n s LYS 79 CO 0.49 -0.44 0.21 0.54 1.55 0.00 0.00 175.35 177.69 1s6n s VAL 80 N 1.42 -0.03 0.13 4.02 0.11 0.13 -4.99 120.40 121.17 1s6n s VAL 80 Ca 0.01 0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 1s6n s VAL 80 Cb -0.17 -0.33 -0.07 0.00 -1.53 0.00 0.00 36.38 34.28 1s6n s VAL 80 CO -0.00 0.05 0.79 -0.76 -3.33 0.00 0.00 175.10 171.85 1s6n s LEU 81 N 1.01 4.55 0.02 2.54 1.43 -1.26 -1.92 118.68 125.04 1s6n s LEU 81 Ca -0.07 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1s6n s LEU 81 Cb -0.09 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1s6n s LEU 81 CO -0.06 0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 175.94 1s6n s ILE 82 N -0.74 0.58 -0.14 -0.59 1.01 0.38 -4.96 121.20 116.75 1s6n s ILE 82 Ca 0.37 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 1s6n s ILE 82 Cb -0.22 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1s6n s ILE 82 CO 0.26 -0.05 0.18 -1.61 0.00 0.00 0.00 174.94 173.72 1s6n s GLU 83 N -0.75 3.81 0.34 2.79 2.02 -1.26 -0.65 118.70 125.01 1s6n s GLU 83 Ca -0.02 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 54.97 1s6n s GLU 83 Cb -0.06 -3.29 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1s6n s GLU 83 CO 0.00 0.56 -0.05 -0.51 0.02 0.00 0.00 175.26 175.29 1s6n s LEU 84 N -0.43 2.64 -0.38 1.80 1.02 -0.36 -0.77 118.68 122.20 1s6n s LEU 84 Ca 0.14 -1.25 -0.13 0.00 0.02 0.00 0.00 54.13 52.91 1s6n s LEU 84 Cb -0.12 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.29 1s6n s LEU 84 CO 0.03 -0.34 0.24 -0.70 0.02 0.00 0.00 176.35 175.61 1s6n s GLU 85 N -3.69 2.95 -0.50 1.70 2.12 0.51 -0.31 118.70 121.48 1s6n s GLU 85 Ca 0.33 -1.01 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 1s6n s GLU 85 Cb 0.05 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.64 1s6n s GLU 85 CO 0.15 -0.69 0.96 -1.25 -0.54 0.00 0.00 175.26 173.89 1s6n s PRO 86 N 1.62 3.48 0.96 4.30 0.04 -1.26 -3.41 135.00 140.73 1s6n s PRO 86 Ca 0.04 0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.04 1s6n s PRO 86 Cb -0.19 -3.97 0.17 0.00 0.04 0.00 0.00 34.50 30.56 1s6n s PRO 86 CO 0.08 -1.33 1.13 -1.25 0.04 0.00 0.00 177.00 175.66 1s6n s PRO 87 N 3.92 0.66 0.60 0.56 0.04 -1.26 -4.88 135.00 134.64 1s6n s PRO 87 Ca 0.36 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 1s6n s PRO 87 Cb -0.10 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1s6n s PRO 87 CO 0.25 -2.84 0.91 -0.06 0.04 0.00 0.00 177.00 175.29 1s6n s PHE 88 N -2.61 3.22 0.00 0.56 0.40 -1.26 -4.16 117.98 114.13 1s6n s PHE 88 Ca 0.67 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.61 1s6n s PHE 88 Cb -0.23 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.52 1s6n s PHE 88 CO 0.59 -0.87 0.00 0.41 0.70 0.00 0.00 175.22 176.05 1s6n n GLY 89 N -2.60 2.11 3.31 4.36 0.00 -0.19 -4.79 105.19 107.38 1s6n n GLY 89 Ca 0.05 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 2.42 -0.03 1.61 1.11 -1.26 -0.29 116.67 116.23 1s6n s ASP 90 Ca 0.00 -0.90 -0.04 0.00 0.18 0.00 0.00 52.55 51.79 1s6n s ASP 90 Cb 0.00 -0.12 0.01 0.00 1.07 0.00 0.00 42.92 43.88 1s6n s ASP 90 CO 0.00 -0.12 0.10 -0.44 1.18 0.00 0.00 175.17 175.89 1s6n s SER 91 N -2.82 -0.07 -0.03 0.27 0.01 0.30 -4.42 113.70 106.94 1s6n s SER 91 Ca 0.16 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1s6n s SER 91 Cb -0.04 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1s6n s SER 91 CO 0.05 -0.10 0.01 -0.31 0.41 0.00 0.00 173.24 173.29 1s6n s TYR 92 N -0.26 0.30 -0.37 2.43 2.02 0.12 0.14 117.35 121.72 1s6n s TYR 92 Ca -0.03 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1s6n s TYR 92 Cb -0.02 -0.43 0.11 0.00 -0.40 0.00 0.00 41.96 41.22 1s6n s TYR 92 CO 0.00 -0.14 0.10 0.42 -1.57 0.00 0.00 175.55 174.36 1s6n s ILE 93 N 1.15 2.44 -0.15 2.71 -1.09 0.40 -0.89 121.20 125.78 1s6n s ILE 93 Ca -0.08 -2.45 -0.08 0.00 -2.23 0.00 0.00 60.65 55.81 1s6n s ILE 93 Cb -0.13 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1s6n s ILE 93 CO -0.02 -0.64 0.14 -0.69 -1.23 0.00 0.00 174.94 172.50 1s6n s VAL 94 N 0.76 5.47 -0.28 2.92 1.01 -0.75 -0.45 120.40 129.08 1s6n s VAL 94 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1s6n s VAL 94 Cb -0.20 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1s6n s VAL 94 CO -0.07 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1s6n s VAL 95 N -0.54 1.24 0.00 2.92 1.01 0.13 -0.68 120.40 124.48 1s6n s VAL 95 Ca 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1s6n s VAL 95 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1s6n s VAL 95 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1s6n n GLY 96 N 4.73 1.47 3.28 4.51 0.00 0.72 -0.51 105.19 119.39 1s6n n GLY 96 Ca -0.05 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.24 1.12 0.00 1.61 1.70 -0.58 -4.72 118.95 116.83 1s6n s ARG 97 Ca 0.00 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 53.96 1s6n s ARG 97 Cb 0.00 -1.10 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 1s6n s ARG 97 CO 0.00 0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.85 1s6n n GLY 98 N 0.48 0.00 0.09 3.88 0.00 -1.26 -0.05 105.19 108.33 1s6n n GLY 98 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1s6n n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s6n n GLU 99 N -0.97 0.20 -3.50 1.61 0.00 -1.26 -4.44 120.64 112.28 1s6n n GLU 99 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 57.16 57.08 1s6n n GLU 99 Cb 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 31.44 29.57 1s6n n GLU 99 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1s6n s GLN 100 N -3.11 0.76 0.05 3.44 -2.07 0.92 -5.14 119.66 114.53 1s6n s GLN 100 Ca 0.10 -1.61 -0.05 0.00 -1.82 0.00 0.00 55.36 51.98 1s6n s GLN 100 Cb 0.13 -1.53 -0.02 0.00 -1.09 0.00 0.00 33.01 30.50 1s6n s GLN 100 CO 0.54 -1.23 0.08 1.14 -1.32 0.00 0.00 175.29 174.49 1s6n s GLN 101 N 0.73 0.65 0.08 9.60 -2.07 -1.22 -1.53 119.66 125.90 1s6n s GLN 101 Ca 0.21 -0.95 -0.01 0.00 -1.82 0.00 0.00 55.36 52.79 1s6n s GLN 101 Cb -0.18 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1s6n s GLN 101 CO -0.03 -0.16 -0.01 0.42 -1.32 0.00 0.00 175.29 174.18 1s6n s ILE 102 N -3.32 0.27 0.00 3.63 1.01 0.34 -4.98 121.20 118.15 1s6n s ILE 102 Ca 0.01 -1.85 -0.10 0.00 0.00 0.00 0.00 60.65 58.70 1s6n s ILE 102 Cb 0.03 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1s6n s ILE 102 CO -0.08 -0.84 0.21 0.54 0.00 0.00 0.00 174.94 174.76 1s6n s ASN 103 N -2.97 -0.05 0.40 3.58 6.03 -1.26 -0.69 114.94 119.98 1s6n s ASN 103 Ca 0.12 -0.14 0.06 0.00 -1.03 0.00 0.00 52.86 51.88 1s6n s ASN 103 Cb 0.07 0.25 -0.08 0.00 -3.03 0.00 0.00 41.25 38.47 1s6n s ASN 103 CO -0.06 -0.43 0.02 -2.28 -2.03 0.00 0.00 177.10 172.31 1s6n s HIS 104 N -1.57 2.44 0.21 1.54 2.46 0.40 -4.99 115.29 115.78 1s6n s HIS 104 Ca -0.13 -0.71 0.08 0.00 0.47 0.00 0.00 55.06 54.78 1s6n s HIS 104 Cb -0.06 -1.72 -0.05 0.00 -0.13 0.00 0.00 32.58 30.62 1s6n s HIS 104 CO 0.02 0.40 -0.15 -3.38 -2.47 0.00 0.00 174.74 169.15 1s6n s HIS 105 N -2.78 1.78 0.02 3.88 -3.43 -1.26 -0.45 115.29 113.04 1s6n s HIS 105 Ca 0.34 -0.54 -0.20 0.00 -0.80 0.00 0.00 55.06 53.86 1s6n s HIS 105 Cb 0.10 -0.82 0.04 0.00 -1.43 0.00 0.00 32.58 30.47 1s6n s HIS 105 CO 0.17 0.40 0.45 -1.58 -2.00 0.00 0.00 174.74 172.18 1s6n s TRP 106 N -2.87 -0.34 -0.12 0.38 0.52 0.12 -4.90 118.94 111.74 1s6n s TRP 106 Ca 0.23 0.41 -0.04 0.00 0.02 0.00 0.00 56.10 56.73 1s6n s TRP 106 Cb -0.01 0.24 0.06 0.00 -1.15 0.00 0.00 33.47 32.61 1s6n s TRP 106 CO 0.08 -0.55 0.17 -1.01 0.02 0.00 0.00 176.95 175.65 1s6n s HIS 107 N -2.03 -0.18 -0.35 -1.98 3.76 -1.26 -0.54 115.29 112.71 1s6n s HIS 107 Ca -0.08 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.34 1s6n s HIS 107 Cb -0.02 -0.31 0.16 0.00 1.11 0.00 0.00 32.58 33.53 1s6n s HIS 107 CO 0.01 -0.36 0.41 -1.59 -0.85 0.00 0.00 174.74 172.37 1s6n s LYS 108 N 2.29 0.60 -0.77 1.40 -2.85 0.60 -4.96 119.74 116.05 1s6n s LYS 108 Ca 0.04 -0.52 -0.03 0.00 -1.00 0.00 0.00 55.97 54.46 1s6n s LYS 108 Cb -0.13 -0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 35.09 1s6n s LYS 108 CO -0.07 -1.15 0.66 -1.13 0.10 0.00 0.00 175.35 173.76 1s6n n SER 109 N 4.58 -4.65 0.00 0.03 3.41 -0.46 -1.02 113.62 115.50 1s6n n SER 109 Ca 0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1s6n n SER 109 Cb 0.48 -3.84 0.00 0.00 -0.26 0.00 0.00 64.21 60.59 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 -1.27 1.14 3.69 5.00 0.00 0.11 -4.14 105.19 109.72 1s6n n GLY 110 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.14 3.35 0.63 1.61 0.15 0.75 -4.48 113.70 114.56 1s6n s SER 111 Ca 0.00 2.25 0.32 0.00 0.70 0.00 0.00 55.95 59.22 1s6n s SER 111 Cb 0.00 -2.58 1.75 0.00 -1.71 0.00 0.00 66.02 63.49 1s6n s SER 111 CO 0.00 -2.82 2.06 0.28 1.20 0.00 0.00 173.24 173.95 1s6n h SER 112 N -1.34 0.00 0.15 5.45 0.02 -1.89 0.51 113.55 116.45 1s6n h SER 112 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1s6n h SER 112 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1s6n h SER 112 CO 0.44 0.00 -0.21 -0.38 -1.14 0.00 0.00 176.83 175.54 1s6n n ILE 113 N -3.36 0.00 -0.72 3.27 2.08 -1.26 -4.98 119.36 114.40 1s6n n ILE 113 Ca 0.01 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1s6n n ILE 113 Cb 0.35 0.53 0.00 0.00 -0.75 0.00 0.00 39.64 39.76 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 1.31 0.61 0.00 7.39 0.00 0.17 -5.16 105.19 109.52 1s6n n GLY 114 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90