#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 0.27 -0.22 4.38 0.15 -1.25 -2.24 113.70 114.78 1s6n s SER 2 Ca 0.00 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 1s6n s SER 2 Cb 0.00 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1s6n s SER 2 CO 0.00 -0.38 -0.12 -1.83 1.20 0.00 0.00 173.24 172.11 1s6n s GLU 3 N -2.01 2.84 0.16 5.44 1.03 -1.26 -5.03 118.70 119.87 1s6n s GLU 3 Ca -0.11 -0.95 -0.12 0.00 0.03 0.00 0.00 54.97 53.82 1s6n s GLU 3 Cb -0.06 -2.82 0.04 0.00 -0.80 0.00 0.00 34.13 30.49 1s6n s GLU 3 CO -0.03 -0.34 1.65 0.74 -1.33 0.00 0.00 175.26 175.95 1s6n h PHE 4 N 7.96 0.93 -0.00 4.83 0.04 -2.01 -3.28 116.94 125.40 1s6n h PHE 4 Ca -0.36 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1s6n h PHE 4 Cb 1.11 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1s6n h PHE 4 CO 0.55 0.82 0.00 -0.56 -0.60 0.00 0.00 178.31 178.52 1s6n h GLN 5 N 0.76 0.00 -0.01 1.51 -0.00 -2.06 -1.35 115.11 113.97 1s6n h GLN 5 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1s6n h GLN 5 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 1s6n h GLN 5 CO 0.01 0.00 -0.21 1.28 -0.00 0.00 0.00 178.83 179.91 1s6n n LEU 6 N -4.46 0.82 0.00 0.06 4.77 -1.24 -4.32 117.00 112.63 1s6n n LEU 6 Ca -0.03 -0.16 0.07 0.00 -0.03 0.00 0.00 56.01 55.86 1s6n n LEU 6 Cb 0.09 -0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.37 1s6n n LEU 6 CO 0.33 0.15 0.68 0.29 -1.33 0.00 0.00 177.39 177.52 1s6n n LYS 7 N -0.78 0.17 -3.42 3.23 4.76 -0.51 -4.82 118.16 116.79 1s6n n LYS 7 Ca 0.13 0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.55 1s6n n LYS 7 Cb 0.32 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1s6n n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s6n n GLY 8 N -0.12 -0.98 2.59 0.72 0.00 -1.26 -4.32 105.19 101.82 1s6n n GLY 8 Ca 0.06 0.78 -0.37 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.57 3.40 0.16 2.61 -2.24 -1.26 -4.65 114.28 110.73 1s6n n THR 9 Ca -0.13 -2.37 0.02 0.00 -2.27 0.00 0.00 64.05 59.30 1s6n n THR 9 Cb 0.61 -2.49 0.21 0.00 -2.10 0.00 0.00 70.33 66.56 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 3.56 1.11 -4.40 4.28 1.35 -1.94 -3.47 112.91 113.40 1s6n h THR 10 Ca 0.66 -1.95 -0.24 0.00 -0.55 0.00 0.00 66.41 64.33 1s6n h THR 10 Cb 0.41 2.14 -0.13 0.00 -1.73 0.00 0.00 68.15 68.84 1s6n h THR 10 CO 1.78 0.51 -0.46 -0.31 -0.25 0.00 0.00 175.52 176.78 1s6n s TYR 11 N -3.44 1.08 0.55 4.73 1.51 -1.26 -5.08 117.35 115.44 1s6n s TYR 11 Ca 0.00 -1.28 -0.20 0.00 -1.01 0.00 0.00 57.07 54.58 1s6n s TYR 11 Cb 0.11 -0.39 -0.05 0.00 -0.11 0.00 0.00 41.96 41.52 1s6n s TYR 11 CO 0.73 -0.79 1.20 0.20 -1.11 0.00 0.00 175.55 175.78 1s6n s GLY 12 N -3.17 2.75 -0.47 0.71 0.00 -1.26 -4.57 107.32 101.31 1s6n s GLY 12 Ca 0.35 1.00 -0.28 0.00 0.00 0.00 0.00 44.72 45.80 1s6n s GLY 12 CO 0.15 1.42 1.79 0.54 0.00 0.00 0.00 173.10 176.99 1s6n s VAL 13 N -1.58 3.46 0.17 1.40 0.11 -1.26 -2.06 120.40 120.65 1s6n s VAL 13 Ca 0.73 0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 59.99 1s6n s VAL 13 Cb -0.30 -3.84 0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1s6n s VAL 13 CO 0.34 -0.67 0.52 0.00 -3.33 0.00 0.00 175.10 171.96 1s6n n SER 15 N -0.33 0.00 0.00 0.00 3.41 -1.26 -2.47 113.62 112.97 1s6n n SER 15 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1s6n n SER 15 Cb 0.63 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.82 0.00 -3.24 4.33 4.81 -1.26 -4.64 118.16 116.33 1s6n n LYS 16 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 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 n ALA 17 N 0.00 4.59 -2.33 3.14 0.00 -1.26 -4.96 120.51 119.69 1s6n n ALA 17 Ca 0.00 -4.73 -0.17 0.00 0.00 0.00 0.00 53.44 48.53 1s6n n ALA 17 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 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 -2.09 1.59 -0.00 0.00 0.08 -1.26 -1.00 117.98 115.30 1s6n s PHE 18 Ca 0.31 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1s6n s PHE 18 Cb -0.01 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.65 1s6n s PHE 18 CO 0.00 0.22 0.18 0.21 -0.10 0.00 0.00 175.22 175.73 1s6n s LYS 19 N -3.71 0.52 0.12 0.44 2.20 -0.28 -4.79 119.74 114.24 1s6n s LYS 19 Ca 0.22 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.17 1s6n s LYS 19 Cb 0.02 0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 36.46 1s6n s LYS 19 CO 0.06 -0.13 1.79 -0.06 -0.36 0.00 0.00 175.35 176.65 1s6n s PHE 20 N -1.36 2.25 -0.22 4.03 0.08 -1.26 -0.43 117.98 121.06 1s6n s PHE 20 Ca -0.14 0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 1s6n s PHE 20 Cb -0.07 -4.14 -0.18 0.00 -0.57 0.00 0.00 43.02 38.05 1s6n s PHE 20 CO 0.02 -4.66 -0.02 -0.11 -0.10 0.00 0.00 175.22 170.35 1s6n n LEU 21 N 5.52 2.35 -3.70 -0.37 -0.00 0.32 -4.79 117.00 116.34 1s6n n LEU 21 Ca 0.17 0.21 -0.21 0.00 -0.00 0.00 0.00 56.01 56.18 1s6n n LEU 21 Cb 0.38 -0.95 -0.18 0.00 -0.00 0.00 0.00 43.42 42.67 1s6n n LEU 21 CO 0.65 0.66 -0.35 -0.83 -0.00 0.00 0.00 177.39 177.52 1s6n s GLY 22 N -5.62 0.30 0.79 -3.96 0.00 0.02 -4.98 107.32 93.87 1s6n s GLY 22 Ca -0.32 0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 1s6n s GLY 22 CO 0.61 1.34 1.04 -1.30 0.00 0.00 0.00 173.10 174.79 1s6n n THR 23 N 5.25 2.05 -1.80 0.90 -2.24 -1.26 -0.33 114.28 116.85 1s6n n THR 23 Ca -0.04 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1s6n n THR 23 Cb 0.50 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 1s6n n THR 23 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1s6n s PRO 24 N -3.80 4.14 -0.03 -0.78 0.04 -1.26 -4.64 135.00 128.67 1s6n s PRO 24 Ca 0.72 2.54 -0.00 0.00 0.04 0.00 0.00 61.00 64.30 1s6n s PRO 24 Cb -0.30 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1s6n s PRO 24 CO 0.52 -0.64 0.03 0.00 0.04 0.00 0.00 177.00 176.95 1s6n s ALA 25 N 0.37 0.16 0.21 8.56 0.00 0.16 -4.96 121.76 126.26 1s6n s ALA 25 Ca 0.66 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1s6n s ALA 25 Cb -0.47 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 1s6n s ALA 25 CO 0.42 -0.19 1.43 0.34 0.00 0.00 0.00 175.76 177.76 1s6n s ASP 26 N 1.33 6.70 0.36 0.00 -1.08 -1.26 -0.72 116.67 122.00 1s6n s ASP 26 Ca -0.06 2.57 0.19 0.00 -0.52 0.00 0.00 52.55 54.73 1s6n s ASP 26 Cb -0.13 -2.61 0.27 0.00 -1.46 0.00 0.00 42.92 38.99 1s6n s ASP 26 CO -0.03 -0.69 1.55 0.71 0.52 0.00 0.00 175.17 177.23 1s6n h THR 27 N 3.75 0.48 0.00 1.71 1.35 -1.10 -3.46 112.91 115.64 1s6n h THR 27 Ca -0.45 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1s6n h THR 27 Cb 1.21 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1s6n h THR 27 CO 0.81 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 1s6n n GLY 28 N 1.07 2.35 0.00 5.82 0.00 -1.26 -4.87 105.19 108.29 1s6n n GLY 28 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.19 1.61 8.25 -1.26 -4.86 115.22 116.76 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 0.31 0.60 3.70 -1.41 0.00 -1.26 -5.09 105.19 102.04 1s6n n GLY 30 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.39 3.08 -0.20 2.61 -4.23 -1.26 -4.33 115.64 108.91 1s6n s THR 31 Ca 0.00 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1s6n s THR 31 Cb 0.00 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1s6n s THR 31 CO 0.00 -0.22 0.03 0.68 -0.54 0.00 0.00 174.62 174.56 1s6n s VAL 32 N -2.41 4.25 0.07 2.29 -7.23 0.60 -0.41 120.40 117.55 1s6n s VAL 32 Ca 0.36 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1s6n s VAL 32 Cb -0.03 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 1s6n s VAL 32 CO 0.22 0.42 1.09 0.68 -0.31 0.00 0.00 175.10 177.20 1s6n s VAL 33 N 0.90 4.31 -0.05 1.32 -7.23 0.10 -1.04 120.40 118.70 1s6n s VAL 33 Ca 0.02 1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 61.91 1s6n s VAL 33 Cb -0.14 -4.11 0.04 0.00 0.56 0.00 0.00 36.38 32.72 1s6n s VAL 33 CO 0.02 0.18 0.10 -0.22 -0.31 0.00 0.00 175.10 174.87 1s6n s LEU 34 N 0.64 0.34 -0.17 1.32 0.20 0.49 -0.66 118.68 120.85 1s6n s LEU 34 Ca 0.53 0.19 -0.06 0.00 0.69 0.00 0.00 54.13 55.48 1s6n s LEU 34 Cb -0.26 0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.54 1s6n s LEU 34 CO 0.30 -0.21 0.04 -0.70 -0.29 0.00 0.00 176.35 175.49 1s6n s GLU 35 N 1.84 3.81 0.35 1.98 2.12 0.55 -0.39 118.70 128.96 1s6n s GLU 35 Ca -0.00 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 55.05 1s6n s GLU 35 Cb -0.12 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1s6n s GLU 35 CO -0.04 0.33 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.41 1s6n s LEU 36 N 0.18 2.73 -0.03 2.70 1.02 -0.49 -0.52 118.68 124.27 1s6n s LEU 36 Ca 0.03 -1.21 0.07 0.00 0.02 0.00 0.00 54.13 53.04 1s6n s LEU 36 Cb -0.13 -0.98 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 1s6n s LEU 36 CO 0.01 -0.22 -0.24 0.00 0.02 0.00 0.00 176.35 175.92 1s6n s GLN 37 N -3.62 2.04 -0.65 1.70 -2.07 0.43 -0.54 119.66 116.94 1s6n s GLN 37 Ca 0.33 -0.85 -0.24 0.00 -1.82 0.00 0.00 55.36 52.78 1s6n s GLN 37 Cb 0.03 -1.91 0.06 0.00 -1.09 0.00 0.00 33.01 30.10 1s6n s GLN 37 CO 0.16 0.47 1.02 -0.47 -1.32 0.00 0.00 175.29 175.16 1s6n s TYR 38 N -0.45 2.62 -1.67 9.60 6.14 0.11 -1.13 117.35 132.56 1s6n s TYR 38 Ca 0.06 -0.35 0.03 0.00 0.64 0.00 0.00 57.07 57.46 1s6n s TYR 38 Cb -0.10 -4.32 0.11 0.00 0.42 0.00 0.00 41.96 38.07 1s6n s TYR 38 CO 0.00 -1.68 0.97 0.25 0.64 0.00 0.00 175.55 175.74 1s6n n THR 39 N 6.07 0.24 -4.05 4.34 -2.24 -0.17 -4.55 114.28 113.92 1s6n n THR 39 Ca -0.01 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1s6n n THR 39 Cb 0.46 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.74 1.32 0.00 3.38 0.00 -1.26 -4.97 107.32 105.05 1s6n s GLY 40 Ca 0.08 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 43.53 1s6n s GLY 40 CO 0.05 -0.90 1.02 -1.30 0.00 0.00 0.00 173.10 171.97 1s6n n THR 41 N -0.56 0.29 -4.24 0.90 -2.24 -1.26 -4.68 114.28 102.49 1s6n n THR 41 Ca -0.00 -0.65 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 1s6n n THR 41 Cb 0.61 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.84 1s6n n THR 41 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1s6n n ASP 42 N 0.72 -0.01 0.00 3.42 5.75 -1.26 -4.85 116.55 120.31 1s6n n ASP 42 Ca 0.09 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1s6n n ASP 42 Cb 0.36 1.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.47 1s6n n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6n n GLY 43 N -0.26 1.97 3.52 6.12 0.00 -1.26 -4.83 105.19 110.45 1s6n n GLY 43 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.33 0.37 -3.84 1.61 -0.02 -1.26 -4.80 135.00 126.73 1s6n n PRO 44 Ca 0.00 -0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.26 1s6n n PRO 44 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 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 -3.87 3.45 -0.10 0.00 2.36 -0.87 -0.45 119.74 120.24 1s6n s LYS 46 Ca 0.11 -2.04 -0.29 0.00 -2.55 0.00 0.00 55.97 51.20 1s6n s LYS 46 Cb -0.06 -4.50 -0.06 0.00 -1.05 0.00 0.00 37.83 32.17 1s6n s LYS 46 CO 0.06 -1.44 1.95 0.54 1.55 0.00 0.00 175.35 178.01 1s6n s VAL 47 N 1.30 3.19 -0.86 4.02 0.11 -1.03 -2.06 120.40 125.07 1s6n s VAL 47 Ca 0.19 0.22 -0.25 0.00 -2.93 0.00 0.00 61.98 59.20 1s6n s VAL 47 Cb -0.13 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.53 1s6n s VAL 47 CO -0.05 -0.07 1.71 -2.16 -3.33 0.00 0.00 175.10 171.20 1s6n s PRO 48 N 5.06 2.93 -0.03 1.54 0.04 -1.26 -4.65 135.00 138.63 1s6n s PRO 48 Ca 0.88 -0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1s6n s PRO 48 Cb -0.35 -4.90 -0.00 0.00 0.04 0.00 0.00 34.50 29.29 1s6n s PRO 48 CO 0.36 -2.78 -0.15 -1.50 0.04 0.00 0.00 177.00 172.98 1s6n s ILE 49 N 7.96 1.21 0.17 0.56 2.07 -1.26 -0.33 121.20 131.58 1s6n s ILE 49 Ca 0.59 -0.60 -0.10 0.00 -1.41 0.00 0.00 60.65 59.12 1s6n s ILE 49 Cb -0.06 -1.04 -0.00 0.00 0.13 0.00 0.00 42.46 41.48 1s6n s ILE 49 CO 0.03 0.35 0.32 -0.55 -1.91 0.00 0.00 174.94 173.19 1s6n s SER 50 N 0.03 -0.01 -0.11 4.50 0.15 0.08 -4.93 113.70 113.42 1s6n s SER 50 Ca -0.02 -0.82 -0.03 0.00 0.70 0.00 0.00 55.95 55.77 1s6n s SER 50 Cb -0.10 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1s6n s SER 50 CO 0.01 -0.92 0.09 -0.55 1.20 0.00 0.00 173.24 173.07 1s6n s SER 51 N -2.96 1.61 0.30 5.45 0.15 -1.26 -2.08 113.70 114.90 1s6n s SER 51 Ca 0.16 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1s6n s SER 51 Cb 0.03 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1s6n s SER 51 CO -0.00 -0.29 0.19 0.68 1.20 0.00 0.00 173.24 175.02 1s6n s VAL 52 N 2.18 0.17 -0.20 4.45 -7.23 -0.13 -0.67 120.40 118.96 1s6n s VAL 52 Ca 0.04 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.42 1s6n s VAL 52 Cb -0.14 -2.49 -0.31 0.00 0.56 0.00 0.00 36.38 33.99 1s6n s VAL 52 CO -0.06 0.00 0.54 0.00 -0.31 0.00 0.00 175.10 175.27 1s6n n ALA 53 N -0.56 3.14 -2.37 1.32 0.00 -1.26 -0.32 120.51 120.46 1s6n n ALA 53 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 1s6n n ALA 53 Cb 0.64 -0.74 0.00 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 -2.10 0.02 -0.25 0.00 7.64 -1.26 -4.18 113.62 113.49 1s6n n SER 54 Ca -0.02 -2.03 -0.03 0.00 1.01 0.00 0.00 58.87 57.79 1s6n n SER 54 Cb 0.51 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.06 0.51 -2.38 -3.43 0.00 -1.26 -4.89 117.00 105.48 1s6n n LEU 55 Ca -0.10 0.08 -0.05 0.00 0.00 0.00 0.00 56.01 55.94 1s6n n LEU 55 Cb 0.91 -2.36 -0.06 0.00 0.00 0.00 0.00 43.42 41.90 1s6n n LEU 55 CO -0.08 -0.92 0.98 -0.46 0.00 0.00 0.00 177.39 176.91 1s6n n ASN 56 N -0.93 1.99 0.07 1.96 6.94 -1.26 -4.75 115.26 119.27 1s6n n ASN 56 Ca -0.03 -1.88 0.04 0.00 -0.02 0.00 0.00 54.58 52.69 1s6n n ASN 56 Cb 0.48 -0.54 0.23 0.00 -2.36 0.00 0.00 39.78 37.60 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 2.95 0.22 0.07 0.53 2.03 -1.26 -2.17 116.55 118.92 1s6n n ASP 57 Ca 0.16 0.58 0.04 0.00 0.52 0.00 0.00 54.79 56.09 1s6n n ASP 57 Cb 0.31 -0.60 0.19 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.79 0.18 -3.25 -2.67 -0.00 -1.26 -4.25 117.00 103.97 1s6n n LEU 58 Ca -0.01 0.49 -0.03 0.00 -0.00 0.00 0.00 56.01 56.47 1s6n n LEU 58 Cb 0.05 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.94 1s6n n LEU 58 CO 0.04 -0.55 0.04 -0.89 -0.00 0.00 0.00 177.39 176.03 1s6n s THR 59 N -3.04 -0.80 -0.39 1.47 2.01 -0.92 -5.12 115.64 108.84 1s6n s THR 59 Ca -0.01 -0.07 -0.38 0.00 0.31 0.00 0.00 61.69 61.55 1s6n s THR 59 Cb 0.02 -0.93 -0.14 0.00 0.01 0.00 0.00 72.50 71.46 1s6n s THR 59 CO 0.06 -0.08 2.15 -2.65 -0.69 0.00 0.00 174.62 173.41 1s6n n PRO 60 N 5.39 0.75 -0.01 4.92 -0.02 -1.26 -4.85 135.00 139.92 1s6n n PRO 60 Ca -0.01 0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1s6n n PRO 60 Cb 0.51 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 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 6.98 0.96 -4.64 -1.45 2.07 -1.60 -3.39 116.25 115.17 1s6n h VAL 61 Ca -0.23 -2.79 -0.17 0.00 0.82 0.00 0.00 66.70 64.33 1s6n h VAL 61 Cb 1.35 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1s6n h VAL 61 CO 1.04 0.56 -0.07 0.61 0.02 0.00 0.00 177.57 179.73 1s6n n GLY 62 N 1.54 2.69 3.38 2.17 0.00 0.15 0.05 105.19 115.18 1s6n n GLY 62 Ca -0.15 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.74 1.54 -0.01 1.61 1.70 -0.95 -4.22 118.95 115.88 1s6n s ARG 63 Ca 0.12 -1.85 -0.22 0.00 -0.47 0.00 0.00 55.73 53.31 1s6n s ARG 63 Cb -0.01 -0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.80 1s6n s ARG 63 CO 0.08 -0.27 0.66 -0.51 -1.08 0.00 0.00 175.30 174.18 1s6n s LEU 64 N -3.40 4.40 -0.22 -1.89 1.02 -1.26 -0.17 118.68 117.16 1s6n s LEU 64 Ca 0.37 1.22 -0.16 0.00 0.02 0.00 0.00 54.13 55.58 1s6n s LEU 64 Cb 0.08 -3.03 -0.10 0.00 0.02 0.00 0.00 46.19 43.16 1s6n s LEU 64 CO 0.15 0.02 -0.22 0.52 0.02 0.00 0.00 176.35 176.84 1s6n n VAL 65 N 3.03 1.51 -0.03 -1.59 0.31 -0.03 -4.68 118.33 116.84 1s6n n VAL 65 Ca -0.04 -0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1s6n n VAL 65 Cb 0.51 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 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 1.16 -2.85 2.52 2.02 -1.77 -3.46 112.91 109.53 1s6n h THR 66 Ca -0.33 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.28 1s6n h THR 66 Cb 1.21 1.22 -0.20 0.00 -1.74 0.00 0.00 68.15 68.65 1s6n h THR 66 CO -0.20 0.14 -0.18 0.54 0.37 0.00 0.00 175.52 176.19 1s6n s VAL 67 N -5.53 0.05 0.50 3.16 0.11 -1.26 -5.03 120.40 112.40 1s6n s VAL 67 Ca -0.14 -0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 58.40 1s6n s VAL 67 Cb 0.06 -0.70 -0.06 0.00 -1.53 0.00 0.00 36.38 34.15 1s6n s VAL 67 CO 0.69 -0.22 0.91 0.20 -3.33 0.00 0.00 175.10 173.36 1s6n s ASN 68 N -1.34 6.47 -1.04 3.54 0.01 -1.26 -4.78 114.94 116.54 1s6n s ASN 68 Ca -0.13 1.33 -0.23 0.00 -0.71 0.00 0.00 52.86 53.13 1s6n s ASN 68 Cb -0.04 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1s6n s ASN 68 CO 0.05 -0.59 1.81 -2.16 -1.51 0.00 0.00 177.10 174.70 1s6n s PRO 69 N -4.32 2.93 -0.16 -0.60 0.04 -1.26 -4.91 135.00 126.71 1s6n s PRO 69 Ca 0.54 -0.86 -0.05 0.00 0.04 0.00 0.00 61.00 60.67 1s6n s PRO 69 Cb -0.10 -5.22 0.08 0.00 0.04 0.00 0.00 34.50 29.29 1s6n s PRO 69 CO 0.38 -3.14 0.31 0.12 0.04 0.00 0.00 177.00 174.71 1s6n s PHE 70 N 8.54 -0.55 -1.02 0.56 5.36 -1.26 -3.23 117.98 126.38 1s6n s PHE 70 Ca 0.63 1.08 -0.18 0.00 -0.96 0.00 0.00 56.93 57.50 1s6n s PHE 70 Cb -0.03 0.05 0.13 0.00 -0.34 0.00 0.00 43.02 42.83 1s6n s PHE 70 CO 0.01 -0.43 1.24 0.08 -1.46 0.00 0.00 175.22 174.67 1s6n s VAL 71 N 2.48 4.73 -0.90 3.12 1.01 0.40 -4.88 120.40 126.36 1s6n s VAL 71 Ca 0.01 -1.80 0.19 0.00 0.00 0.00 0.00 61.98 60.39 1s6n s VAL 71 Cb -0.12 -4.84 0.17 0.00 0.00 0.00 0.00 36.38 31.58 1s6n s VAL 71 CO -0.10 -1.58 1.60 -0.24 0.00 0.00 0.00 175.10 174.78 1s6n n SER 72 N 6.54 0.16 -3.62 3.32 2.88 -1.26 -0.98 113.62 120.66 1s6n n SER 72 Ca 0.29 0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 58.23 1s6n n SER 72 Cb 0.48 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.31 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 -3.06 0.05 -0.37 2.46 1.01 -1.26 -4.90 120.40 114.33 1s6n s VAL 73 Ca 0.08 -0.40 0.25 0.00 0.00 0.00 0.00 61.98 61.91 1s6n s VAL 73 Cb 0.11 -1.01 0.27 0.00 0.00 0.00 0.00 36.38 35.75 1s6n s VAL 73 CO 0.35 -0.22 1.76 0.00 0.00 0.00 0.00 175.10 176.99 1s6n h ALA 74 N 2.73 1.00 0.00 5.51 0.00 -1.89 -3.21 119.26 123.41 1s6n h ALA 74 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1s6n h ALA 74 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s6n h ALA 74 CO 0.43 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1s6n n THR 75 N -2.39 0.00 0.50 0.00 -2.24 -1.26 -4.29 114.28 104.60 1s6n n THR 75 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1s6n n THR 75 Cb 0.24 -0.50 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 -0.91 1.69 0.22 6.98 0.00 -1.21 -4.62 120.51 122.65 1s6n n ALA 76 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1s6n n ALA 76 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.22 0.24 -4.90 0.00 4.13 -1.26 -4.60 115.26 108.65 1s6n n ASN 77 Ca 0.00 -0.43 -0.29 0.00 1.68 0.00 0.00 54.58 55.54 1s6n n ASN 77 Cb 0.02 -0.11 0.07 0.00 -1.54 0.00 0.00 39.78 38.23 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 -0.88 2.75 -0.40 5.41 0.00 -1.26 -4.64 121.76 122.73 1s6n s ALA 78 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 1s6n s ALA 78 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.21 1s6n s ALA 78 CO 0.00 -1.49 0.23 0.21 0.00 0.00 0.00 175.76 174.71 1s6n s LYS 79 N -5.50 2.67 -0.07 0.00 2.36 -1.26 -0.71 119.74 117.23 1s6n s LYS 79 Ca 0.61 -1.31 -0.06 0.00 -2.55 0.00 0.00 55.97 52.65 1s6n s LYS 79 Cb -0.11 -3.73 0.02 0.00 -1.05 0.00 0.00 37.83 32.96 1s6n s LYS 79 CO 0.50 -0.85 0.19 0.54 1.55 0.00 0.00 175.35 177.28 1s6n s VAL 80 N 1.46 -0.01 -0.21 4.02 0.11 0.29 -5.00 120.40 121.07 1s6n s VAL 80 Ca 0.02 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1s6n s VAL 80 Cb -0.21 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1s6n s VAL 80 CO 0.04 0.01 0.12 -0.22 -3.33 0.00 0.00 175.10 171.72 1s6n s LEU 81 N 0.33 4.05 -0.02 2.54 1.98 -1.26 -1.40 118.68 124.90 1s6n s LEU 81 Ca -0.02 0.14 0.04 0.00 -2.89 0.00 0.00 54.13 51.40 1s6n s LEU 81 Cb -0.03 -2.06 -0.01 0.00 0.66 0.00 0.00 46.19 44.75 1s6n s LEU 81 CO -0.01 0.14 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.81 1s6n s ILE 82 N 0.61 1.15 0.01 6.68 1.01 0.48 -4.96 121.20 126.18 1s6n s ILE 82 Ca 0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 1s6n s ILE 82 Cb -0.12 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 1s6n s ILE 82 CO 0.01 0.33 0.56 -1.61 0.00 0.00 0.00 174.94 174.23 1s6n s GLU 83 N -0.21 4.25 0.26 2.79 2.02 -1.26 -0.38 118.70 126.16 1s6n s GLU 83 Ca 0.03 0.69 0.11 0.00 0.02 0.00 0.00 54.97 55.83 1s6n s GLU 83 Cb -0.07 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 1s6n s GLU 83 CO -0.00 0.47 -0.20 -0.51 0.02 0.00 0.00 175.26 175.04 1s6n s LEU 84 N -0.51 2.56 -0.44 1.80 1.02 -0.21 -0.85 118.68 122.05 1s6n s LEU 84 Ca 0.29 -1.00 -0.12 0.00 0.02 0.00 0.00 54.13 53.32 1s6n s LEU 84 Cb -0.18 -1.05 0.07 0.00 0.02 0.00 0.00 46.19 45.05 1s6n s LEU 84 CO 0.17 0.02 0.32 -0.70 0.02 0.00 0.00 176.35 176.19 1s6n s GLU 85 N -3.40 2.80 -0.00 1.70 2.12 0.76 -0.29 118.70 122.38 1s6n s GLU 85 Ca 0.28 -1.39 -0.30 0.00 0.36 0.00 0.00 54.97 53.92 1s6n s GLU 85 Cb -0.05 -3.95 -0.03 0.00 0.26 0.00 0.00 34.13 30.36 1s6n s GLU 85 CO 0.13 -0.98 0.98 -1.25 -0.54 0.00 0.00 175.26 173.60 1s6n s PRO 86 N 1.54 4.56 1.13 4.30 0.04 -1.26 -2.91 135.00 142.39 1s6n s PRO 86 Ca 0.03 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1s6n s PRO 86 Cb -0.23 -3.46 0.26 0.00 0.04 0.00 0.00 34.50 31.10 1s6n s PRO 86 CO 0.04 -0.06 1.06 -1.25 0.04 0.00 0.00 177.00 176.84 1s6n s PRO 87 N 1.04 -0.65 0.69 0.56 0.04 -1.26 -4.89 135.00 130.53 1s6n s PRO 87 Ca 0.52 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 1s6n s PRO 87 Cb -0.21 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1s6n s PRO 87 CO 0.28 -3.44 1.04 -0.06 0.04 0.00 0.00 177.00 174.86 1s6n s PHE 88 N -2.75 3.20 0.00 0.56 0.40 -1.26 -4.52 117.98 113.60 1s6n s PHE 88 Ca 0.68 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.82 1s6n s PHE 88 Cb -0.19 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1s6n s PHE 88 CO 0.60 -1.19 0.00 0.41 0.70 0.00 0.00 175.22 175.73 1s6n n GLY 89 N -2.92 2.11 2.95 4.36 0.00 -0.86 -4.76 105.19 106.06 1s6n n GLY 89 Ca 0.06 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1s6n n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s6n s ASP 90 N -4.00 0.11 -0.00 1.61 2.15 -1.26 -0.69 116.67 114.59 1s6n s ASP 90 Ca 0.00 -0.24 -0.16 0.00 0.43 0.00 0.00 52.55 52.58 1s6n s ASP 90 Cb 0.00 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.73 1s6n s ASP 90 CO 0.00 -0.18 0.34 -0.94 -0.17 0.00 0.00 175.17 174.22 1s6n s SER 91 N -0.82 -0.22 -0.00 -0.34 1.04 0.31 -4.51 113.70 109.16 1s6n s SER 91 Ca -0.09 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1s6n s SER 91 Cb -0.06 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 1s6n s SER 91 CO -0.00 -0.50 -0.03 -0.31 0.98 0.00 0.00 173.24 173.37 1s6n s TYR 92 N -1.60 0.31 -0.28 5.02 2.02 0.56 -0.78 117.35 122.60 1s6n s TYR 92 Ca -0.11 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1s6n s TYR 92 Cb -0.04 -0.20 0.07 0.00 -0.40 0.00 0.00 41.96 41.39 1s6n s TYR 92 CO 0.03 -0.01 -0.07 0.42 -1.57 0.00 0.00 175.55 174.36 1s6n s ILE 93 N -0.08 2.24 -0.14 2.71 -1.09 0.32 -0.96 121.20 124.21 1s6n s ILE 93 Ca 0.01 -1.79 -0.06 0.00 -2.23 0.00 0.00 60.65 56.59 1s6n s ILE 93 Cb -0.01 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1s6n s ILE 93 CO -0.00 -0.17 0.06 -0.69 -1.23 0.00 0.00 174.94 172.91 1s6n s VAL 94 N 1.06 4.82 -0.40 2.92 1.01 -0.88 -0.24 120.40 128.68 1s6n s VAL 94 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1s6n s VAL 94 Cb -0.20 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.20 1s6n s VAL 94 CO -0.05 0.55 0.19 -0.69 0.00 0.00 0.00 175.10 175.10 1s6n s VAL 95 N -0.39 1.30 0.00 2.92 1.01 0.41 -0.74 120.40 124.91 1s6n s VAL 95 Ca 0.09 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.82 1s6n s VAL 95 Cb -0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1s6n s VAL 95 CO 0.02 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1s6n n GLY 96 N 3.91 2.90 3.16 4.51 0.00 0.55 -0.18 105.19 120.04 1s6n n GLY 96 Ca 0.06 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.93 3.03 0.00 1.61 1.70 -0.29 -4.78 118.95 118.30 1s6n s ARG 97 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 1s6n s ARG 97 Cb 0.00 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 1s6n s ARG 97 CO 0.00 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 1s6n n GLY 98 N 4.30 0.32 0.18 3.88 0.00 -1.26 -0.57 105.19 112.03 1s6n n GLY 98 Ca -0.20 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.48 1.61 9.09 -2.04 -3.40 114.58 116.36 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 -3.36 0.84 0.14 1.06 -2.07 0.26 -5.12 119.66 111.42 1s6n s GLN 100 Ca 0.05 -1.28 -0.10 0.00 -1.82 0.00 0.00 55.36 52.21 1s6n s GLN 100 Cb 0.09 -2.09 -0.00 0.00 -1.09 0.00 0.00 33.01 29.92 1s6n s GLN 100 CO 0.51 -1.02 0.28 1.14 -1.32 0.00 0.00 175.29 174.87 1s6n s GLN 101 N 1.35 1.08 0.14 9.60 1.03 -1.26 -1.13 119.66 130.47 1s6n s GLN 101 Ca 0.11 -1.08 0.01 0.00 0.04 0.00 0.00 55.36 54.44 1s6n s GLN 101 Cb -0.19 0.38 -0.04 0.00 0.03 0.00 0.00 33.01 33.19 1s6n s GLN 101 CO -0.19 -0.39 0.00 0.42 -2.54 0.00 0.00 175.29 172.59 1s6n s ILE 102 N -3.93 0.51 0.15 3.63 1.01 0.75 -4.97 121.20 118.34 1s6n s ILE 102 Ca 0.13 -1.95 -0.13 0.00 0.00 0.00 0.00 60.65 58.70 1s6n s ILE 102 Cb 0.03 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1s6n s ILE 102 CO -0.04 -0.56 0.37 0.54 0.00 0.00 0.00 174.94 175.26 1s6n s ASN 103 N -3.11 -0.11 0.26 3.58 2.20 -1.26 -0.44 114.94 116.06 1s6n s ASN 103 Ca 0.21 -0.57 0.02 0.00 -0.94 0.00 0.00 52.86 51.59 1s6n s ASN 103 Cb 0.06 0.47 -0.04 0.00 -2.00 0.00 0.00 41.25 39.75 1s6n s ASN 103 CO 0.01 -0.90 0.17 -2.28 -2.94 0.00 0.00 177.10 171.17 1s6n s HIS 104 N -3.88 1.45 0.20 1.54 2.46 0.66 -4.99 115.29 112.73 1s6n s HIS 104 Ca 0.09 -1.44 0.09 0.00 0.47 0.00 0.00 55.06 54.27 1s6n s HIS 104 Cb 0.02 -0.70 -0.05 0.00 -0.13 0.00 0.00 32.58 31.73 1s6n s HIS 104 CO -0.06 -0.65 -0.17 -3.38 -2.47 0.00 0.00 174.74 168.01 1s6n s HIS 105 N -3.81 1.86 0.05 3.88 -3.43 -1.26 -0.52 115.29 112.06 1s6n s HIS 105 Ca 0.39 -0.49 -0.21 0.00 -0.80 0.00 0.00 55.06 53.95 1s6n s HIS 105 Cb 0.05 -0.88 0.05 0.00 -1.43 0.00 0.00 32.58 30.37 1s6n s HIS 105 CO 0.18 0.41 0.48 -0.46 -2.00 0.00 0.00 174.74 173.34 1s6n s TRP 106 N -2.49 -0.36 -0.00 0.38 -0.00 0.04 -4.90 118.94 111.60 1s6n s TRP 106 Ca 0.21 0.36 0.03 0.00 -0.00 0.00 0.00 56.10 56.70 1s6n s TRP 106 Cb -0.04 0.29 -0.01 0.00 -0.00 0.00 0.00 33.47 33.72 1s6n s TRP 106 CO 0.08 -0.62 -0.10 -1.01 -0.00 0.00 0.00 176.95 175.31 1s6n s HIS 107 N -2.49 0.87 -0.35 5.86 3.76 -1.26 -0.53 115.29 121.15 1s6n s HIS 107 Ca -0.05 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.67 1s6n s HIS 107 Cb -0.01 -0.56 0.12 0.00 1.11 0.00 0.00 32.58 33.25 1s6n s HIS 107 CO -0.02 -0.01 0.18 0.15 -0.85 0.00 0.00 174.74 174.18 1s6n s LYS 108 N -0.31 0.66 -0.83 1.40 1.02 0.13 -4.97 119.74 116.84 1s6n s LYS 108 Ca 0.03 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.76 1s6n s LYS 108 Cb -0.04 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1s6n s LYS 108 CO -0.00 -1.12 0.01 0.45 -0.92 0.00 0.00 175.35 173.76 1s6n n SER 109 N 4.34 -3.29 0.00 2.83 2.88 -0.98 -2.03 113.62 117.37 1s6n n SER 109 Ca 0.05 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1s6n n SER 109 Cb 0.38 -2.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.29 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 -1.01 0.00 3.82 0.46 0.00 0.47 -4.95 105.19 103.98 1s6n n GLY 110 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1s6n n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6n s SER 111 N 0.00 5.25 0.10 1.61 0.15 0.89 -4.91 113.70 116.79 1s6n s SER 111 Ca 0.00 1.55 0.10 0.00 0.70 0.00 0.00 55.95 58.30 1s6n s SER 111 Cb 0.00 -2.40 0.48 0.00 -1.71 0.00 0.00 66.02 62.39 1s6n s SER 111 CO 0.00 -1.52 1.31 -0.24 1.20 0.00 0.00 173.24 173.99 1s6n n SER 112 N -3.17 0.19 0.11 5.45 2.88 -1.26 -0.72 113.62 117.11 1s6n n SER 112 Ca 0.07 0.58 0.13 0.00 -1.33 0.00 0.00 58.87 58.31 1s6n n SER 112 Cb 0.54 -0.61 0.28 0.00 -0.75 0.00 0.00 64.21 63.68 1s6n n SER 112 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1s6n h ILE 113 N 0.00 0.00 0.00 2.46 1.08 -2.01 -3.48 117.51 115.57 1s6n h ILE 113 Ca 0.00 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1s6n h ILE 113 Cb 0.08 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1s6n h ILE 113 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1s6n n GLY 114 N 1.27 1.07 0.00 5.37 0.00 0.10 -5.19 105.19 107.81 1s6n n GLY 114 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90