#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 0.75 0.04 4.38 0.15 -1.24 -3.33 113.70 114.46 1s6n s SER 2 Ca 0.00 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.69 1s6n s SER 2 Cb 0.00 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1s6n s SER 2 CO 0.00 -0.56 -0.18 -1.83 1.20 0.00 0.00 173.24 171.87 1s6n s GLU 3 N -3.89 1.20 -0.06 5.44 1.03 -1.26 -5.07 118.70 116.09 1s6n s GLU 3 Ca 0.10 -0.87 -0.21 0.00 0.03 0.00 0.00 54.97 54.02 1s6n s GLU 3 Cb 0.07 -1.28 -0.16 0.00 -0.80 0.00 0.00 34.13 31.96 1s6n s GLU 3 CO -0.07 0.32 0.84 0.74 -1.33 0.00 0.00 175.26 175.77 1s6n h PHE 4 N 4.87 -0.19 -0.14 4.83 0.04 -2.01 -3.35 116.94 120.99 1s6n h PHE 4 Ca -0.41 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.40 1s6n h PHE 4 Cb 1.17 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 1s6n h PHE 4 CO 0.52 0.25 0.10 -0.56 -0.60 0.00 0.00 178.31 178.02 1s6n h GLN 5 N -0.87 0.00 0.00 1.51 -0.00 -2.02 -2.14 115.11 111.59 1s6n h GLN 5 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1s6n h GLN 5 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1s6n h GLN 5 CO 0.03 0.00 -0.08 1.25 -0.00 0.00 0.00 178.83 180.03 1s6n h LEU 6 N 0.00 0.00 -1.17 0.06 5.85 -2.01 -1.14 115.31 116.90 1s6n h LEU 6 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1s6n h LEU 6 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1s6n h LEU 6 CO -0.00 0.08 0.00 0.11 -0.34 0.00 0.00 178.44 178.29 1s6n h LYS 7 N 0.00 0.00 0.00 1.25 6.56 -1.59 -3.41 116.57 119.38 1s6n h LYS 7 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1s6n h LYS 7 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1s6n h LYS 7 CO 0.01 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.81 1s6n n GLY 8 N 0.20 0.00 3.31 3.86 0.00 -0.43 -4.61 105.19 107.52 1s6n n GLY 8 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 0.61 1.60 0.31 2.61 -2.24 -1.26 -4.71 114.28 111.20 1s6n n THR 9 Ca 0.00 -1.50 0.15 0.00 -2.27 0.00 0.00 64.05 60.43 1s6n n THR 9 Cb 0.00 -2.23 0.57 0.00 -2.10 0.00 0.00 70.33 66.57 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 5.14 0.00 -3.35 4.28 1.35 -1.95 -3.47 112.91 114.91 1s6n h THR 10 Ca 0.33 -0.52 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 1s6n h THR 10 Cb 0.77 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 1s6n h THR 10 CO 1.70 0.00 0.11 -0.47 -0.25 0.00 0.00 175.52 176.61 1s6n s TYR 11 N -3.51 0.33 0.57 4.73 5.04 -1.26 -5.06 117.35 118.19 1s6n s TYR 11 Ca 0.03 -0.83 -0.20 0.00 -2.44 0.00 0.00 57.07 53.63 1s6n s TYR 11 Cb 0.09 0.52 -0.04 0.00 0.35 0.00 0.00 41.96 42.88 1s6n s TYR 11 CO 0.53 -1.35 1.26 0.20 -1.34 0.00 0.00 175.55 174.86 1s6n s GLY 12 N -3.08 2.81 -0.81 8.97 0.00 -1.26 -4.59 107.32 109.36 1s6n s GLY 12 Ca 0.19 1.14 -0.26 0.00 0.00 0.00 0.00 44.72 45.79 1s6n s GLY 12 CO 0.13 1.58 1.32 0.54 0.00 0.00 0.00 173.10 176.67 1s6n s VAL 13 N -1.46 3.78 0.24 1.40 0.11 -1.26 -0.55 120.40 122.66 1s6n s VAL 13 Ca 0.75 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.73 1s6n s VAL 13 Cb -0.34 -4.96 0.01 0.00 -1.53 0.00 0.00 36.38 29.56 1s6n s VAL 13 CO 0.39 -1.88 0.55 0.00 -3.33 0.00 0.00 175.10 170.83 1s6n n SER 15 N -0.39 0.00 0.00 0.00 3.41 -1.26 -2.57 113.62 112.81 1s6n n SER 15 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1s6n n SER 15 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.54 0.00 -3.24 4.33 4.81 -1.26 -4.52 118.16 117.74 1s6n n LYS 16 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.99 1s6n n LYS 16 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 -1.00 4.36 0.22 3.14 0.00 -1.26 -4.98 121.76 122.24 1s6n s ALA 17 Ca 0.00 -3.56 0.04 0.00 0.00 0.00 0.00 51.96 48.43 1s6n s ALA 17 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1s6n s ALA 17 CO 0.00 -2.38 -0.01 -0.06 0.00 0.00 0.00 175.76 173.31 1s6n s PHE 18 N -0.14 1.53 0.05 0.00 0.08 -1.26 -0.58 117.98 117.67 1s6n s PHE 18 Ca 0.30 -0.92 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 1s6n s PHE 18 Cb -0.08 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1s6n s PHE 18 CO -0.07 -0.04 0.34 0.21 -0.10 0.00 0.00 175.22 175.56 1s6n s LYS 19 N -3.86 0.86 0.34 0.44 2.20 0.17 -4.76 119.74 115.12 1s6n s LYS 19 Ca 0.28 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.13 1s6n s LYS 19 Cb 0.05 0.37 -0.10 0.00 -1.51 0.00 0.00 37.83 36.65 1s6n s LYS 19 CO 0.08 -0.28 1.30 -0.06 -0.36 0.00 0.00 175.35 176.03 1s6n s PHE 20 N -2.60 3.04 -0.02 4.03 0.08 -1.26 -0.27 117.98 120.98 1s6n s PHE 20 Ca -0.05 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1s6n s PHE 20 Cb -0.01 -3.67 -0.01 0.00 -0.57 0.00 0.00 43.02 38.76 1s6n s PHE 20 CO -0.03 -1.85 -0.01 -0.11 -0.10 0.00 0.00 175.22 173.11 1s6n n LEU 21 N 0.74 2.57 -3.50 -0.37 -0.00 0.18 -4.69 117.00 111.93 1s6n n LEU 21 Ca 0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1s6n n LEU 21 Cb 0.42 -0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 43.66 1s6n n LEU 21 CO 0.59 0.46 -0.26 -0.83 -0.00 0.00 0.00 177.39 177.35 1s6n s GLY 22 N -4.03 0.18 0.23 -3.96 0.00 -0.08 -4.97 107.32 94.68 1s6n s GLY 22 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 1s6n s GLY 22 CO 0.04 2.20 0.98 2.41 0.00 0.00 0.00 173.10 178.73 1s6n n THR 23 N 5.29 1.62 -1.66 0.90 -1.04 -1.26 -0.35 114.28 117.77 1s6n n THR 23 Ca -0.05 -0.40 -0.46 0.00 -2.04 0.00 0.00 64.05 61.10 1s6n n THR 23 Cb 0.46 -0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 68.16 1s6n n THR 23 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1s6n n PRO 24 N 1.10 2.07 -3.98 -2.82 -0.04 -1.26 -4.75 135.00 125.32 1s6n n PRO 24 Ca 0.13 0.75 -0.29 0.00 -0.04 0.00 0.00 63.50 64.04 1s6n n PRO 24 Cb 0.28 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.09 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 0.71 1.70 0.15 0.55 0.00 -0.40 -4.95 121.76 119.53 1s6n s ALA 25 Ca 0.77 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 1s6n s ALA 25 Cb -0.69 -1.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.32 1s6n s ALA 25 CO 0.40 -0.40 1.54 0.34 0.00 0.00 0.00 175.76 177.65 1s6n s ASP 26 N 1.56 6.63 0.00 0.00 -1.08 -1.26 -1.11 116.67 121.41 1s6n s ASP 26 Ca 0.05 2.55 0.27 0.00 -0.52 0.00 0.00 52.55 54.90 1s6n s ASP 26 Cb -0.13 -2.59 1.21 0.00 -1.46 0.00 0.00 42.92 39.95 1s6n s ASP 26 CO -0.10 -0.80 1.87 0.35 0.52 0.00 0.00 175.17 177.02 1s6n n THR 27 N 4.01 0.16 -0.39 1.71 -2.24 0.74 -4.91 114.28 113.36 1s6n n THR 27 Ca 0.14 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1s6n n THR 27 Cb 0.39 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.17 1.41 0.88 3.38 0.00 -1.26 -4.84 105.19 105.94 1s6n n GLY 28 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.26 -0.03 1.61 8.25 -1.26 -4.92 115.22 117.12 1s6n n HIS 29 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 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 1.34 0.72 3.47 -1.41 0.00 -1.26 -5.10 105.19 102.95 1s6n n GLY 30 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.04 1.84 -0.06 2.61 -4.23 -1.26 -4.03 115.64 108.47 1s6n s THR 31 Ca 0.00 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1s6n s THR 31 Cb 0.00 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1s6n s THR 31 CO 0.00 -0.25 -0.06 0.68 -0.54 0.00 0.00 174.62 174.45 1s6n s VAL 32 N -2.88 3.76 -0.18 2.29 -7.23 0.53 -0.18 120.40 116.51 1s6n s VAL 32 Ca 0.31 -0.50 -0.19 0.00 -1.81 0.00 0.00 61.98 59.79 1s6n s VAL 32 Cb 0.04 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1s6n s VAL 32 CO 0.14 0.57 0.54 0.68 -0.31 0.00 0.00 175.10 176.71 1s6n s VAL 33 N -0.85 5.10 -0.06 1.32 -7.23 -0.27 -1.46 120.40 116.95 1s6n s VAL 33 Ca 0.13 1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 61.30 1s6n s VAL 33 Cb -0.11 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 32.99 1s6n s VAL 33 CO 0.02 0.19 0.01 -0.22 -0.31 0.00 0.00 175.10 174.80 1s6n s LEU 34 N 1.47 0.58 -0.15 1.32 0.20 0.13 -1.27 118.68 120.97 1s6n s LEU 34 Ca 0.26 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.98 1s6n s LEU 34 Cb -0.16 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.19 1s6n s LEU 34 CO 0.10 -0.19 0.01 -0.70 -0.29 0.00 0.00 176.35 175.28 1s6n s GLU 35 N 1.90 3.59 0.29 1.98 2.12 0.53 -0.22 118.70 128.90 1s6n s GLU 35 Ca 0.03 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 55.03 1s6n s GLU 35 Cb -0.12 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 1s6n s GLU 35 CO -0.04 0.38 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.41 1s6n s LEU 36 N 0.03 2.61 -0.08 2.70 1.02 -0.47 -0.65 118.68 123.85 1s6n s LEU 36 Ca 0.03 -1.12 0.04 0.00 0.02 0.00 0.00 54.13 53.10 1s6n s LEU 36 Cb -0.13 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 1s6n s LEU 36 CO 0.02 -0.15 -0.20 0.00 0.02 0.00 0.00 176.35 176.03 1s6n s GLN 37 N -3.61 2.79 -0.51 1.70 -2.07 0.62 -0.63 119.66 117.96 1s6n s GLN 37 Ca 0.30 -0.82 -0.25 0.00 -1.82 0.00 0.00 55.36 52.77 1s6n s GLN 37 Cb -0.00 -2.32 0.03 0.00 -1.09 0.00 0.00 33.01 29.63 1s6n s GLN 37 CO 0.14 0.36 0.97 -0.47 -1.32 0.00 0.00 175.29 174.97 1s6n s TYR 38 N -0.09 2.83 -1.68 9.60 6.14 -0.15 -0.65 117.35 133.36 1s6n s TYR 38 Ca -0.05 0.25 0.30 0.00 0.64 0.00 0.00 57.07 58.21 1s6n s TYR 38 Cb -0.14 -4.09 1.40 0.00 0.42 0.00 0.00 41.96 39.55 1s6n s TYR 38 CO 0.04 -1.25 1.96 0.25 0.64 0.00 0.00 175.55 177.19 1s6n n THR 39 N 6.38 0.00 -4.32 4.34 -2.24 0.26 -4.34 114.28 114.36 1s6n n THR 39 Ca 0.05 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 1s6n n THR 39 Cb 0.48 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.40 2.50 0.00 3.38 0.00 -1.23 -4.98 107.32 104.59 1s6n s GLY 40 Ca 0.32 -1.75 0.13 0.00 0.00 0.00 0.00 44.72 43.42 1s6n s GLY 40 CO 0.45 -2.01 1.15 -1.30 0.00 0.00 0.00 173.10 171.39 1s6n n THR 41 N -1.25 0.61 -4.29 0.90 -2.24 -1.26 -4.54 114.28 102.22 1s6n n THR 41 Ca -0.05 -0.80 -0.18 0.00 -2.27 0.00 0.00 64.05 60.75 1s6n n THR 41 Cb 0.65 0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.03 1.35 0.00 3.42 -4.77 -1.25 -4.66 116.67 109.72 1s6n s ASP 42 Ca 0.22 -1.63 0.00 0.00 -3.30 0.00 0.00 52.55 47.84 1s6n s ASP 42 Cb 0.13 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 1s6n s ASP 42 CO 0.18 -0.97 0.00 0.61 0.70 0.00 0.00 175.17 175.68 1s6n n GLY 43 N -0.55 0.69 3.52 2.12 0.00 -1.26 -4.86 105.19 104.85 1s6n n GLY 43 Ca 0.04 -0.12 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 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 1.47 -3.65 1.61 -0.02 -1.26 -4.85 135.00 128.30 1s6n n PRO 44 Ca 0.00 0.42 -0.05 0.00 -2.02 0.00 0.00 63.50 61.85 1s6n n PRO 44 Cb 0.00 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 30.74 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 -3.13 3.21 -0.07 0.00 1.02 0.28 0.10 119.74 121.17 1s6n s LYS 46 Ca 0.10 -0.61 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 1s6n s LYS 46 Cb -0.01 -4.11 -0.09 0.00 -0.52 0.00 0.00 37.83 33.10 1s6n s LYS 46 CO -0.03 -1.47 2.00 1.55 -0.92 0.00 0.00 175.35 176.49 1s6n n VAL 47 N 5.94 0.62 -2.54 3.17 3.14 -1.12 -1.78 118.33 125.75 1s6n n VAL 47 Ca -0.02 -0.19 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 1s6n n VAL 47 Cb 0.46 -2.20 -0.01 0.00 -1.06 0.00 0.00 33.84 31.03 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 4.78 3.80 0.01 1.45 0.04 -1.26 -4.63 135.00 139.19 1s6n s PRO 48 Ca 0.93 -1.72 0.07 0.00 0.04 0.00 0.00 61.00 60.33 1s6n s PRO 48 Cb -0.52 -5.47 -0.03 0.00 0.04 0.00 0.00 34.50 28.52 1s6n s PRO 48 CO 0.44 -2.35 -0.22 -1.50 0.04 0.00 0.00 177.00 173.41 1s6n s ILE 49 N 4.83 2.43 0.11 0.56 2.07 -1.26 -0.40 121.20 129.53 1s6n s ILE 49 Ca 0.53 -1.14 -0.14 0.00 -1.41 0.00 0.00 60.65 58.49 1s6n s ILE 49 Cb 0.03 -1.94 0.02 0.00 0.13 0.00 0.00 42.46 40.70 1s6n s ILE 49 CO 0.04 0.46 0.33 -0.55 -1.91 0.00 0.00 174.94 173.31 1s6n s SER 50 N -1.01 -0.12 -0.16 4.50 0.15 -0.18 -4.96 113.70 111.92 1s6n s SER 50 Ca 0.12 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 1s6n s SER 50 Cb -0.10 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1s6n s SER 50 CO 0.02 -0.80 -0.00 -0.55 1.20 0.00 0.00 173.24 173.10 1s6n s SER 51 N -2.78 2.69 0.27 5.45 0.15 -1.26 -1.65 113.70 116.56 1s6n s SER 51 Ca 0.03 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 56.05 1s6n s SER 51 Cb 0.03 -0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 63.59 1s6n s SER 51 CO -0.11 -0.24 0.10 0.68 1.20 0.00 0.00 173.24 174.86 1s6n s VAL 52 N 1.78 0.62 -0.86 4.45 -7.23 -0.33 -0.63 120.40 118.21 1s6n s VAL 52 Ca 0.00 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.38 1s6n s VAL 52 Cb -0.16 -2.65 -0.24 0.00 0.56 0.00 0.00 36.38 33.89 1s6n s VAL 52 CO -0.07 0.00 0.84 0.00 -0.31 0.00 0.00 175.10 175.55 1s6n n ALA 53 N -0.50 4.48 -2.37 1.32 0.00 -1.26 0.06 120.51 122.24 1s6n n ALA 53 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1s6n n ALA 53 Cb 0.66 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.61 -0.22 -0.02 0.00 7.64 -1.26 -4.44 113.62 113.71 1s6n n SER 54 Ca 0.03 -2.04 -0.00 0.00 1.01 0.00 0.00 58.87 57.86 1s6n n SER 54 Cb 0.36 0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.24 0.96 -2.75 -3.43 0.00 -1.26 -4.89 117.00 105.39 1s6n n LEU 55 Ca -0.12 0.01 -0.16 0.00 0.00 0.00 0.00 56.01 55.73 1s6n n LEU 55 Cb 0.87 -2.50 -0.06 0.00 0.00 0.00 0.00 43.42 41.74 1s6n n LEU 55 CO -0.09 -1.00 1.90 -0.46 0.00 0.00 0.00 177.39 177.74 1s6n n ASN 56 N -0.99 4.36 0.06 1.96 6.94 -1.26 -4.76 115.26 121.57 1s6n n ASN 56 Ca -0.00 -2.23 0.06 0.00 -0.02 0.00 0.00 54.58 52.38 1s6n n ASN 56 Cb 0.50 -1.02 0.28 0.00 -2.36 0.00 0.00 39.78 37.19 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 3.51 0.24 0.00 0.53 2.03 -1.26 -2.11 116.55 119.49 1s6n n ASP 57 Ca 0.38 0.59 0.02 0.00 0.52 0.00 0.00 54.79 56.30 1s6n n ASP 57 Cb 0.32 -0.63 0.12 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.80 0.00 -3.63 -2.67 -0.00 -1.26 -4.44 117.00 103.20 1s6n n LEU 58 Ca 0.01 0.06 -0.07 0.00 -0.00 0.00 0.00 56.01 56.01 1s6n n LEU 58 Cb 0.07 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1s6n n LEU 58 CO 0.08 -0.06 0.07 -0.89 -0.00 0.00 0.00 177.39 176.59 1s6n s THR 59 N -2.13 -0.73 -0.25 1.47 2.01 -0.90 -5.13 115.64 109.99 1s6n s THR 59 Ca 0.06 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1s6n s THR 59 Cb 0.03 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1s6n s THR 59 CO 0.05 0.05 1.84 -2.16 -0.69 0.00 0.00 174.62 173.70 1s6n s PRO 60 N 2.67 3.49 0.02 4.92 0.04 -1.26 -4.83 135.00 140.06 1s6n s PRO 60 Ca -0.01 1.70 0.15 0.00 0.04 0.00 0.00 61.00 62.88 1s6n s PRO 60 Cb -0.12 -4.18 -0.17 0.00 0.04 0.00 0.00 34.50 30.07 1s6n s PRO 60 CO -0.14 -1.67 0.76 0.28 0.04 0.00 0.00 177.00 176.26 1s6n n VAL 61 N 7.06 1.32 -2.69 -0.36 0.31 -0.60 -4.63 118.33 118.74 1s6n n VAL 61 Ca 0.23 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1s6n n VAL 61 Cb 0.45 -0.83 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 1.45 4.50 3.26 2.92 0.00 0.20 0.22 105.19 117.74 1s6n n GLY 62 Ca -0.12 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 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 1.22 1.29 -0.66 1.61 3.03 -1.15 -4.28 118.95 119.99 1s6n s ARG 63 Ca 0.00 -1.68 -0.17 0.00 2.03 0.00 0.00 55.73 55.91 1s6n s ARG 63 Cb 0.00 -0.01 0.15 0.00 -1.03 0.00 0.00 34.95 34.05 1s6n s ARG 63 CO 0.00 -0.33 0.68 -0.51 -1.13 0.00 0.00 175.30 174.01 1s6n s LEU 64 N -3.23 6.02 0.03 -1.89 2.01 -1.26 -0.50 118.68 119.85 1s6n s LEU 64 Ca 0.37 -1.94 -0.25 0.00 0.01 0.00 0.00 54.13 52.32 1s6n s LEU 64 Cb 0.07 -2.25 -0.18 0.00 0.01 0.00 0.00 46.19 43.84 1s6n s LEU 64 CO 0.12 -0.88 1.47 0.58 1.01 0.00 0.00 176.35 178.66 1s6n h VAL 65 N 5.60 1.22 0.00 -1.59 2.07 -1.16 -3.34 116.25 119.05 1s6n h VAL 65 Ca -0.15 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1s6n h VAL 65 Cb 1.07 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1s6n h VAL 65 CO 0.99 0.17 -0.73 0.00 0.02 0.00 0.00 177.57 178.02 1s6n h THR 66 N -0.27 0.00 -2.01 2.57 1.03 -1.91 -3.48 112.91 108.83 1s6n h THR 66 Ca 0.00 -0.74 -0.06 0.00 -0.01 0.00 0.00 66.41 65.60 1s6n h THR 66 Cb 0.28 1.32 -0.19 0.00 -1.07 0.00 0.00 68.15 68.49 1s6n h THR 66 CO 0.00 0.00 0.19 0.54 -0.01 0.00 0.00 175.52 176.24 1s6n s VAL 67 N -3.25 0.00 0.26 0.00 0.11 -1.26 -5.02 120.40 111.24 1s6n s VAL 67 Ca 0.04 -0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.78 1s6n s VAL 67 Cb 0.11 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.84 1s6n s VAL 67 CO 0.75 -0.00 1.53 -3.20 -3.33 0.00 0.00 175.10 170.84 1s6n n ASN 68 N 0.89 3.38 -4.57 3.54 2.85 -1.26 -4.82 115.26 115.28 1s6n n ASN 68 Ca -0.19 1.14 -0.27 0.00 -0.11 0.00 0.00 54.58 55.14 1s6n n ASN 68 Cb 0.57 -1.52 -0.05 0.00 1.24 0.00 0.00 39.78 40.02 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 -0.32 2.56 -0.24 1.20 0.04 -1.26 -4.84 135.00 132.13 1s6n s PRO 69 Ca 0.67 -0.63 -0.04 0.00 0.04 0.00 0.00 61.00 61.04 1s6n s PRO 69 Cb -0.57 -5.13 0.13 0.00 0.04 0.00 0.00 34.50 28.97 1s6n s PRO 69 CO 0.48 -3.57 0.43 0.12 0.04 0.00 0.00 177.00 174.49 1s6n s PHE 70 N 10.31 -0.94 -0.85 0.56 5.36 -1.26 -3.03 117.98 128.12 1s6n s PHE 70 Ca 0.69 1.18 -0.25 0.00 -0.96 0.00 0.00 56.93 57.59 1s6n s PHE 70 Cb -0.04 0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.81 1s6n s PHE 70 CO 0.04 -0.68 1.77 0.08 -1.46 0.00 0.00 175.22 174.97 1s6n s VAL 71 N 2.62 3.55 -0.63 3.12 1.01 0.11 -4.85 120.40 125.33 1s6n s VAL 71 Ca 0.09 -0.27 0.24 0.00 0.00 0.00 0.00 61.98 62.04 1s6n s VAL 71 Cb -0.14 -4.30 0.25 0.00 0.00 0.00 0.00 36.38 32.19 1s6n s VAL 71 CO -0.16 -1.23 1.72 -1.54 0.00 0.00 0.00 175.10 173.89 1s6n n SER 72 N 12.24 0.62 -3.57 3.32 3.41 -1.26 -1.35 113.62 127.03 1s6n n SER 72 Ca 0.31 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1s6n n SER 72 Cb 0.49 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1s6n n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1s6n s VAL 73 N -3.21 0.04 0.29 -3.33 1.01 -1.26 -4.93 120.40 109.02 1s6n s VAL 73 Ca 0.07 -0.36 0.28 0.00 0.00 0.00 0.00 61.98 61.96 1s6n s VAL 73 Cb 0.11 -1.08 0.29 0.00 0.00 0.00 0.00 36.38 35.70 1s6n s VAL 73 CO 0.45 -0.20 1.99 0.00 0.00 0.00 0.00 175.10 177.33 1s6n h ALA 74 N 2.36 1.13 -0.03 5.51 0.00 -1.89 -2.97 119.26 123.38 1s6n h ALA 74 Ca -0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1s6n h ALA 74 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1s6n h ALA 74 CO 0.43 0.17 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1s6n n THR 75 N -3.45 0.03 0.37 0.00 -2.24 -1.26 -3.95 114.28 103.78 1s6n n THR 75 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1s6n n THR 75 Cb 0.31 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.60 1.62 0.30 6.98 0.00 -1.12 -4.58 120.51 123.12 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 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.44 0.37 -4.88 0.00 4.13 -1.26 -4.58 115.26 109.47 1s6n n ASN 77 Ca 0.00 -0.61 -0.29 0.00 1.68 0.00 0.00 54.58 55.36 1s6n n ASN 77 Cb 0.11 -0.15 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 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 -0.81 3.33 -0.55 5.41 0.00 -1.26 -4.56 121.76 123.32 1s6n s ALA 78 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.44 1s6n s ALA 78 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1s6n s ALA 78 CO 0.00 -0.21 0.94 0.21 0.00 0.00 0.00 175.76 176.70 1s6n s LYS 79 N -4.31 3.34 -0.02 0.00 2.36 -1.26 -0.98 119.74 118.86 1s6n s LYS 79 Ca 0.51 -0.25 0.02 0.00 -2.55 0.00 0.00 55.97 53.70 1s6n s LYS 79 Cb -0.10 -4.05 0.01 0.00 -1.05 0.00 0.00 37.83 32.63 1s6n s LYS 79 CO 0.38 -1.47 -0.07 0.54 1.55 0.00 0.00 175.35 176.28 1s6n s VAL 80 N 3.93 0.66 -0.28 4.02 0.11 0.20 -5.00 120.40 124.03 1s6n s VAL 80 Ca 0.31 -0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1s6n s VAL 80 Cb -0.12 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1s6n s VAL 80 CO 0.19 0.21 0.15 -0.22 -3.33 0.00 0.00 175.10 172.11 1s6n s LEU 81 N 0.25 3.92 -0.06 2.54 1.98 -1.26 -1.36 118.68 124.68 1s6n s LEU 81 Ca -0.04 -0.23 0.05 0.00 -2.89 0.00 0.00 54.13 51.03 1s6n s LEU 81 Cb -0.08 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.71 1s6n s LEU 81 CO 0.00 -0.10 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.53 1s6n s ILE 82 N 1.68 2.51 0.05 6.68 1.01 0.70 -4.94 121.20 128.88 1s6n s ILE 82 Ca 0.06 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 1s6n s ILE 82 Cb -0.16 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.30 1s6n s ILE 82 CO 0.08 0.57 0.60 -1.61 0.00 0.00 0.00 174.94 174.57 1s6n s GLU 83 N -0.33 4.28 0.26 2.79 2.02 -1.26 -0.69 118.70 125.76 1s6n s GLU 83 Ca 0.02 0.77 0.10 0.00 0.02 0.00 0.00 54.97 55.88 1s6n s GLU 83 Cb -0.13 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 1s6n s GLU 83 CO 0.02 0.52 -0.17 -0.51 0.02 0.00 0.00 175.26 175.14 1s6n s LEU 84 N -0.74 2.58 -0.43 1.80 1.02 -0.54 -0.60 118.68 121.78 1s6n s LEU 84 Ca 0.30 -1.04 -0.11 0.00 0.02 0.00 0.00 54.13 53.30 1s6n s LEU 84 Cb -0.19 -0.93 0.07 0.00 0.02 0.00 0.00 46.19 45.15 1s6n s LEU 84 CO 0.19 -0.06 0.29 -0.70 0.02 0.00 0.00 176.35 176.09 1s6n s GLU 85 N -3.57 2.74 -0.22 1.70 2.12 0.34 -0.34 118.70 121.46 1s6n s GLU 85 Ca 0.27 -1.37 -0.25 0.00 0.36 0.00 0.00 54.97 53.99 1s6n s GLU 85 Cb -0.03 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1s6n s GLU 85 CO 0.12 -0.93 0.83 -1.25 -0.54 0.00 0.00 175.26 173.49 1s6n s PRO 86 N 1.50 4.21 1.07 4.30 0.04 -1.26 -2.96 135.00 141.91 1s6n s PRO 86 Ca 0.03 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1s6n s PRO 86 Cb -0.23 -3.62 0.23 0.00 0.04 0.00 0.00 34.50 30.92 1s6n s PRO 86 CO 0.04 -0.46 1.07 -1.25 0.04 0.00 0.00 177.00 176.43 1s6n s PRO 87 N 2.65 -0.15 0.76 0.56 0.04 -1.26 -4.78 135.00 132.81 1s6n s PRO 87 Ca 0.36 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1s6n s PRO 87 Cb -0.16 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.80 1s6n s PRO 87 CO 0.09 -3.26 1.09 -0.06 0.04 0.00 0.00 177.00 174.90 1s6n s PHE 88 N -2.58 3.04 0.00 0.56 0.08 -1.26 -4.40 117.98 113.41 1s6n s PHE 88 Ca 0.67 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.85 1s6n s PHE 88 Cb -0.23 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1s6n s PHE 88 CO 0.62 -1.51 0.00 0.41 -0.10 0.00 0.00 175.22 174.64 1s6n n GLY 89 N -2.43 1.57 3.32 4.36 0.00 0.12 -4.88 105.19 107.25 1s6n n GLY 89 Ca 0.07 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 1.84 0.18 1.61 1.01 -1.26 -0.28 116.67 115.78 1s6n s ASP 90 Ca 0.00 -1.20 -0.19 0.00 0.71 0.00 0.00 52.55 51.87 1s6n s ASP 90 Cb 0.00 0.01 0.04 0.00 1.01 0.00 0.00 42.92 43.97 1s6n s ASP 90 CO 0.00 -0.49 0.54 -0.44 0.21 0.00 0.00 175.17 174.99 1s6n s SER 91 N -3.30 -0.34 -0.05 0.27 0.01 0.48 -4.66 113.70 106.11 1s6n s SER 91 Ca 0.27 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1s6n s SER 91 Cb 0.05 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.89 1s6n s SER 91 CO 0.08 -1.03 -0.06 -0.31 0.41 0.00 0.00 173.24 172.33 1s6n s TYR 92 N -3.84 0.87 -0.34 2.43 1.51 0.11 -0.21 117.35 117.88 1s6n s TYR 92 Ca 0.06 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1s6n s TYR 92 Cb -0.01 -0.74 0.05 0.00 -0.11 0.00 0.00 41.96 41.14 1s6n s TYR 92 CO -0.06 -0.22 0.10 0.42 -1.11 0.00 0.00 175.55 174.69 1s6n s ILE 93 N 0.93 3.69 -0.08 2.71 -1.09 0.51 -1.19 121.20 126.68 1s6n s ILE 93 Ca -0.11 -1.21 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 1s6n s ILE 93 Cb -0.14 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1s6n s ILE 93 CO 0.00 -0.21 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.74 1s6n s VAL 94 N 1.37 3.61 -0.41 2.92 1.01 -0.66 -0.74 120.40 127.50 1s6n s VAL 94 Ca -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1s6n s VAL 94 Cb -0.20 -2.48 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1s6n s VAL 94 CO 0.02 0.58 0.24 -0.69 0.00 0.00 0.00 175.10 175.25 1s6n s VAL 95 N -0.63 0.99 0.00 2.92 1.01 0.21 -1.01 120.40 123.89 1s6n s VAL 95 Ca 0.09 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.76 1s6n s VAL 95 Cb -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1s6n s VAL 95 CO 0.02 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1s6n n GLY 96 N 3.65 3.14 3.08 4.51 0.00 0.46 -0.31 105.19 119.72 1s6n n GLY 96 Ca 0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 2.51 0.00 1.61 1.70 -0.06 -4.79 118.95 117.92 1s6n s ARG 97 Ca 0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 1s6n s ARG 97 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.22 1s6n s ARG 97 CO 0.00 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1s6n n GLY 98 N 4.42 0.36 0.25 3.88 0.00 -1.26 -0.79 105.19 112.05 1s6n n GLY 98 Ca -0.19 0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.75 1.61 9.09 -2.04 -3.40 114.58 116.09 1s6n h GLU 99 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.82 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 -0.75 1.14 0.05 0.00 0.00 179.01 179.45 1s6n s GLN 100 N -3.61 0.86 0.04 1.06 -2.07 0.03 -5.12 119.66 110.85 1s6n s GLN 100 Ca 0.01 -1.15 -0.02 0.00 -1.82 0.00 0.00 55.36 52.39 1s6n s GLN 100 Cb 0.09 -2.19 -0.03 0.00 -1.09 0.00 0.00 33.01 29.79 1s6n s GLN 100 CO 0.50 -0.94 0.01 1.14 -1.32 0.00 0.00 175.29 174.67 1s6n s GLN 101 N 1.52 0.53 0.09 9.60 1.03 -1.26 -0.88 119.66 130.28 1s6n s GLN 101 Ca 0.09 -0.93 0.01 0.00 0.04 0.00 0.00 55.36 54.57 1s6n s GLN 101 Cb -0.18 0.19 -0.04 0.00 0.03 0.00 0.00 33.01 33.01 1s6n s GLN 101 CO -0.21 -0.11 -0.05 0.42 -2.54 0.00 0.00 175.29 172.80 1s6n s ILE 102 N -2.91 0.53 0.07 3.63 1.01 0.58 -4.97 121.20 119.14 1s6n s ILE 102 Ca -0.02 -1.90 -0.17 0.00 0.00 0.00 0.00 60.65 58.56 1s6n s ILE 102 Cb 0.01 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.86 1s6n s ILE 102 CO -0.06 -0.89 0.40 0.54 0.00 0.00 0.00 174.94 174.92 1s6n s ASN 103 N -3.01 -0.25 0.15 3.58 2.20 -1.26 -0.62 114.94 115.73 1s6n s ASN 103 Ca 0.11 -0.12 -0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1s6n s ASN 103 Cb 0.06 0.43 -0.04 0.00 -2.00 0.00 0.00 41.25 39.70 1s6n s ASN 103 CO -0.06 -0.72 0.05 -1.00 -2.94 0.00 0.00 177.10 172.43 1s6n s HIS 104 N -2.91 0.98 0.10 1.54 3.76 0.08 -5.01 115.29 113.83 1s6n s HIS 104 Ca -0.03 -1.19 0.04 0.00 -0.15 0.00 0.00 55.06 53.73 1s6n s HIS 104 Cb 0.00 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 1s6n s HIS 104 CO -0.05 -0.44 -0.10 -3.38 -0.85 0.00 0.00 174.74 169.91 1s6n s HIS 105 N -3.95 1.05 0.02 1.40 -3.43 -1.26 -0.36 115.29 108.76 1s6n s HIS 105 Ca 0.25 -0.68 -0.03 0.00 -0.80 0.00 0.00 55.06 53.80 1s6n s HIS 105 Cb 0.07 -0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 30.63 1s6n s HIS 105 CO 0.03 -0.01 0.03 -1.58 -2.00 0.00 0.00 174.74 171.21 1s6n s TRP 106 N -2.59 0.23 -0.23 0.38 0.52 0.71 -4.94 118.94 113.02 1s6n s TRP 106 Ca 0.06 -0.49 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 1s6n s TRP 106 Cb -0.02 -0.17 0.11 0.00 -1.15 0.00 0.00 33.47 32.24 1s6n s TRP 106 CO -0.00 -0.26 0.26 -1.01 0.02 0.00 0.00 176.95 175.95 1s6n s HIS 107 N -1.91 -0.40 -0.28 -1.98 3.76 -1.26 -0.39 115.29 112.83 1s6n s HIS 107 Ca -0.11 0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1s6n s HIS 107 Cb -0.06 -0.31 0.14 0.00 1.11 0.00 0.00 32.58 33.46 1s6n s HIS 107 CO -0.02 -0.68 0.34 -1.59 -0.85 0.00 0.00 174.74 171.95 1s6n s LYS 108 N 2.37 0.35 -0.89 1.40 -2.85 0.62 -4.95 119.74 115.79 1s6n s LYS 108 Ca 0.08 0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.11 1s6n s LYS 108 Cb -0.15 -0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 35.03 1s6n s LYS 108 CO -0.16 -0.94 0.79 0.45 0.10 0.00 0.00 175.35 175.59 1s6n n SER 109 N 5.34 -6.44 0.00 0.03 2.88 -0.57 -0.71 113.62 114.15 1s6n n SER 109 Ca -0.02 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1s6n n SER 109 Cb 0.48 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 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 -1.35 1.66 3.73 0.46 0.00 0.12 -4.16 105.19 105.64 1s6n n GLY 110 Ca -0.05 0.00 -0.35 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 -1.77 4.49 0.60 1.61 0.15 0.11 -4.53 113.70 114.36 1s6n s SER 111 Ca 0.00 2.46 0.28 0.00 0.70 0.00 0.00 55.95 59.39 1s6n s SER 111 Cb 0.00 -2.60 1.39 0.00 -1.71 0.00 0.00 66.02 63.10 1s6n s SER 111 CO 0.00 -2.07 1.80 0.28 1.20 0.00 0.00 173.24 174.45 1s6n h SER 112 N 0.18 0.00 0.84 5.45 0.02 -1.88 0.55 113.55 118.71 1s6n h SER 112 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1s6n h SER 112 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1s6n h SER 112 CO 0.52 0.00 -0.22 -0.38 -1.14 0.00 0.00 176.83 175.61 1s6n n ILE 113 N -3.50 0.06 -0.52 3.27 2.08 -1.26 -4.95 119.36 114.53 1s6n n ILE 113 Ca 0.09 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1s6n n ILE 113 Cb 0.75 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 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 1.48 0.90 0.00 7.39 0.00 0.18 -5.19 105.19 109.96 1s6n n GLY 114 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90