#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 0.36 0.31 4.38 0.15 -1.19 -2.99 113.70 114.72 1s6n s SER 2 Ca 0.00 -1.35 0.03 0.00 0.70 0.00 0.00 55.95 55.33 1s6n s SER 2 Cb 0.00 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1s6n s SER 2 CO 0.00 -0.80 0.09 -1.83 1.20 0.00 0.00 173.24 171.91 1s6n s GLU 3 N -4.11 1.60 -0.07 5.44 1.03 -1.26 -5.03 118.70 116.29 1s6n s GLU 3 Ca 0.36 -1.90 -0.08 0.00 0.03 0.00 0.00 54.97 53.38 1s6n s GLU 3 Cb 0.07 -0.53 -0.03 0.00 -0.80 0.00 0.00 34.13 32.84 1s6n s GLU 3 CO 0.10 -0.30 -0.16 1.19 -1.33 0.00 0.00 175.26 174.77 1s6n n PHE 4 N -0.63 0.00 -0.13 4.83 3.72 -1.26 -4.71 117.46 119.28 1s6n n PHE 4 Ca -0.02 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.61 1s6n n PHE 4 Cb 0.66 -0.23 0.66 0.00 -0.94 0.00 0.00 39.48 39.63 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 -0.46 0.11 -0.17 -1.08 -0.00 -2.02 -1.84 115.11 109.65 1s6n h GLN 5 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.69 1s6n h GLN 5 Cb 0.46 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.91 1s6n h GLN 5 CO 0.00 0.07 0.13 1.25 -0.00 0.00 0.00 178.83 180.29 1s6n h LEU 6 N 0.11 0.00 0.00 0.06 5.85 -2.04 -1.33 115.31 117.96 1s6n h LEU 6 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1s6n h LEU 6 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1s6n h LEU 6 CO -0.05 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.34 1s6n n LYS 7 N -4.35 0.69 -1.43 1.25 4.01 -0.69 -4.91 118.16 112.74 1s6n n LYS 7 Ca 0.01 0.01 -0.44 0.00 -0.51 0.00 0.00 58.31 57.38 1s6n n LYS 7 Cb 0.27 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 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 1.04 -1.60 3.31 0.72 0.00 -0.50 -4.78 105.19 103.38 1s6n n GLY 8 Ca 0.18 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.49 1.93 0.33 2.61 -2.24 -1.26 -4.67 114.28 110.49 1s6n n THR 9 Ca 0.13 -1.84 0.21 0.00 -2.27 0.00 0.00 64.05 60.28 1s6n n THR 9 Cb 0.35 -2.26 1.14 0.00 -2.10 0.00 0.00 70.33 67.45 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 5.20 0.13 -3.67 4.28 1.35 -1.98 -3.44 112.91 114.77 1s6n h THR 10 Ca 0.34 -0.03 -0.19 0.00 -0.55 0.00 0.00 66.41 65.98 1s6n h THR 10 Cb 0.79 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 1s6n h THR 10 CO 1.64 0.00 0.01 -0.47 -0.25 0.00 0.00 175.52 176.46 1s6n s TYR 11 N -4.24 0.73 0.75 4.73 5.04 -1.26 -5.00 117.35 118.10 1s6n s TYR 11 Ca -0.05 -1.15 -0.12 0.00 -2.44 0.00 0.00 57.07 53.31 1s6n s TYR 11 Cb 0.13 0.30 0.05 0.00 0.35 0.00 0.00 41.96 42.80 1s6n s TYR 11 CO 0.45 -1.36 1.12 0.20 -1.34 0.00 0.00 175.55 174.61 1s6n s GLY 12 N -3.19 1.91 -0.62 8.97 0.00 -1.26 -4.51 107.32 108.61 1s6n s GLY 12 Ca 0.25 0.47 -0.28 0.00 0.00 0.00 0.00 44.72 45.16 1s6n s GLY 12 CO 0.18 0.84 1.36 0.54 0.00 0.00 0.00 173.10 176.01 1s6n s VAL 13 N -2.58 3.78 0.20 1.40 0.11 -1.26 -0.78 120.40 121.26 1s6n s VAL 13 Ca 0.65 0.60 -0.21 0.00 -2.93 0.00 0.00 61.98 60.10 1s6n s VAL 13 Cb -0.20 -4.61 0.05 0.00 -1.53 0.00 0.00 36.38 30.08 1s6n s VAL 13 CO 0.50 -1.40 0.61 0.00 -3.33 0.00 0.00 175.10 171.48 1s6n n SER 15 N -0.39 0.00 0.00 0.00 3.41 -1.26 -3.05 113.62 112.34 1s6n n SER 15 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1s6n n SER 15 Cb 0.63 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 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 -2.15 0.00 -3.20 4.33 4.81 -1.26 -4.71 118.16 115.98 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 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 4.31 -2.41 3.14 0.00 -1.26 -4.98 120.51 119.31 1s6n n ALA 17 Ca 0.00 -4.59 -0.17 0.00 0.00 0.00 0.00 53.44 48.68 1s6n n ALA 17 Cb 0.00 -2.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.77 1s6n n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6n s PHE 18 N -0.87 1.38 -0.00 0.00 0.08 -1.26 -0.94 117.98 116.37 1s6n s PHE 18 Ca 0.34 -0.62 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 1s6n s PHE 18 Cb -0.06 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1s6n s PHE 18 CO -0.04 0.15 0.19 0.21 -0.10 0.00 0.00 175.22 175.63 1s6n s LYS 19 N -3.07 0.54 0.53 0.44 2.20 -0.16 -4.80 119.74 115.43 1s6n s LYS 19 Ca 0.12 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.19 1s6n s LYS 19 Cb -0.02 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1s6n s LYS 19 CO 0.03 -0.14 1.13 -0.06 -0.36 0.00 0.00 175.35 175.95 1s6n s PHE 20 N -1.39 2.71 0.00 4.03 0.08 -1.26 -0.26 117.98 121.90 1s6n s PHE 20 Ca -0.14 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.45 1s6n s PHE 20 Cb -0.07 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1s6n s PHE 20 CO 0.02 -1.53 0.00 -0.11 -0.10 0.00 0.00 175.22 173.51 1s6n n LEU 21 N -1.18 0.93 -3.57 -0.37 -0.00 0.33 -4.71 117.00 108.42 1s6n n LEU 21 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.84 1s6n n LEU 21 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.77 1s6n n LEU 21 CO 0.43 0.16 -0.33 -0.83 -0.00 0.00 0.00 177.39 176.81 1s6n s GLY 22 N -3.05 0.44 0.26 -3.96 0.00 -0.12 -4.95 107.32 95.94 1s6n s GLY 22 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1s6n s GLY 22 CO 0.00 1.92 0.84 2.41 0.00 0.00 0.00 173.10 178.26 1s6n n THR 23 N 5.26 2.00 -1.82 0.90 -1.04 -1.26 -0.86 114.28 117.45 1s6n n THR 23 Ca -0.06 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.05 1s6n n THR 23 Cb 0.45 -0.65 0.02 0.00 -1.82 0.00 0.00 70.33 68.33 1s6n n THR 23 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1s6n s PRO 24 N -1.37 3.62 -0.05 -2.82 0.04 -1.26 -4.79 135.00 128.37 1s6n s PRO 24 Ca 0.60 2.36 -0.01 0.00 0.04 0.00 0.00 61.00 63.99 1s6n s PRO 24 Cb -0.78 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1s6n s PRO 24 CO 0.59 -0.85 0.02 0.00 0.04 0.00 0.00 177.00 176.80 1s6n s ALA 25 N -1.23 0.42 0.17 8.56 0.00 -0.27 -4.97 121.76 124.44 1s6n s ALA 25 Ca 0.62 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 1s6n s ALA 25 Cb -0.42 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 1s6n s ALA 25 CO 0.54 -0.37 1.47 0.34 0.00 0.00 0.00 175.76 177.74 1s6n s ASP 26 N 1.81 6.69 0.00 0.00 -1.08 -1.26 -1.11 116.67 121.72 1s6n s ASP 26 Ca 0.01 2.53 0.28 0.00 -0.52 0.00 0.00 52.55 54.85 1s6n s ASP 26 Cb -0.12 -2.60 1.19 0.00 -1.46 0.00 0.00 42.92 39.93 1s6n s ASP 26 CO -0.03 -0.73 1.90 0.35 0.52 0.00 0.00 175.17 177.17 1s6n n THR 27 N 3.56 0.08 -0.25 1.71 -2.24 0.56 -4.92 114.28 112.78 1s6n n THR 27 Ca 0.11 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1s6n n THR 27 Cb 0.40 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.39 1.08 0.79 3.38 0.00 -1.26 -4.80 105.19 105.77 1s6n n GLY 28 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.22 0.00 1.61 8.25 -1.26 -4.91 115.22 117.13 1s6n n HIS 29 Ca 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 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 1.29 0.90 3.41 -1.41 0.00 -1.26 -5.11 105.19 103.01 1s6n n GLY 30 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 1.33 -0.11 2.61 -4.23 -1.26 -4.16 115.64 107.82 1s6n s THR 31 Ca 0.00 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1s6n s THR 31 Cb 0.00 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1s6n s THR 31 CO 0.00 -0.22 -0.15 0.68 -0.54 0.00 0.00 174.62 174.39 1s6n s VAL 32 N -3.21 2.91 0.04 2.29 -7.23 0.67 -0.32 120.40 115.54 1s6n s VAL 32 Ca 0.31 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.45 1s6n s VAL 32 Cb 0.06 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1s6n s VAL 32 CO 0.12 0.54 0.97 0.68 -0.31 0.00 0.00 175.10 177.10 1s6n s VAL 33 N 0.13 4.74 -0.05 1.32 -7.23 -0.27 -1.02 120.40 118.02 1s6n s VAL 33 Ca -0.07 2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 62.14 1s6n s VAL 33 Cb -0.15 -4.32 0.04 0.00 0.56 0.00 0.00 36.38 32.51 1s6n s VAL 33 CO 0.05 0.22 0.09 -0.22 -0.31 0.00 0.00 175.10 174.92 1s6n s LEU 34 N 0.65 0.44 -0.06 1.32 1.98 0.62 -1.11 118.68 122.52 1s6n s LEU 34 Ca 0.50 0.16 0.05 0.00 -2.89 0.00 0.00 54.13 51.96 1s6n s LEU 34 Cb -0.22 0.05 -0.01 0.00 0.66 0.00 0.00 46.19 46.67 1s6n s LEU 34 CO 0.29 -0.20 -0.22 -0.70 -1.89 0.00 0.00 176.35 173.62 1s6n s GLU 35 N 1.74 2.55 0.25 1.98 2.12 -0.04 -0.37 118.70 126.93 1s6n s GLU 35 Ca -0.02 -0.86 0.05 0.00 0.36 0.00 0.00 54.97 54.51 1s6n s GLU 35 Cb -0.12 -2.22 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1s6n s GLU 35 CO -0.04 0.43 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.57 1s6n s LEU 36 N -0.27 2.35 -0.01 2.70 1.43 -0.81 -0.52 118.68 123.54 1s6n s LEU 36 Ca 0.00 -1.19 0.05 0.00 -1.03 0.00 0.00 54.13 51.96 1s6n s LEU 36 Cb -0.13 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 1s6n s LEU 36 CO 0.03 -0.42 -0.16 0.00 0.23 0.00 0.00 176.35 176.03 1s6n s GLN 37 N -3.79 1.29 -0.60 1.70 -2.07 0.64 -0.52 119.66 116.31 1s6n s GLN 37 Ca 0.28 -0.57 -0.21 0.00 -1.82 0.00 0.00 55.36 53.05 1s6n s GLN 37 Cb 0.05 -1.25 0.08 0.00 -1.09 0.00 0.00 33.01 30.79 1s6n s GLN 37 CO 0.10 0.34 0.83 -0.47 -1.32 0.00 0.00 175.29 174.77 1s6n s TYR 38 N -0.36 2.84 -2.01 9.60 5.04 0.18 -0.98 117.35 131.66 1s6n s TYR 38 Ca 0.06 -0.62 0.08 0.00 -2.44 0.00 0.00 57.07 54.15 1s6n s TYR 38 Cb -0.06 -4.07 0.45 0.00 0.35 0.00 0.00 41.96 38.63 1s6n s TYR 38 CO -0.01 -1.42 1.30 0.25 -1.34 0.00 0.00 175.55 174.34 1s6n n THR 39 N 5.79 0.02 -4.13 4.34 -2.24 -0.11 -4.37 114.28 113.58 1s6n n THR 39 Ca -0.05 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1s6n n THR 39 Cb 0.45 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1s6n n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s6n n GLY 40 N 0.64 2.28 0.40 3.38 0.00 -1.26 -4.97 105.19 105.66 1s6n n GLY 40 Ca 0.06 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1s6n n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s6n n THR 41 N -0.61 0.68 -4.24 2.61 -2.24 -1.26 -4.55 114.28 104.66 1s6n n THR 41 Ca 0.03 -0.84 -0.18 0.00 -2.27 0.00 0.00 64.05 60.78 1s6n n THR 41 Cb 0.61 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1s6n n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1s6n s ASP 42 N -0.88 1.48 0.00 3.42 -4.77 -1.26 -4.78 116.67 109.88 1s6n s ASP 42 Ca 0.14 -1.70 0.00 0.00 -3.30 0.00 0.00 52.55 47.69 1s6n s ASP 42 Cb 0.08 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.48 1s6n s ASP 42 CO 0.10 -1.10 0.00 0.61 0.70 0.00 0.00 175.17 175.48 1s6n n GLY 43 N -0.60 0.75 3.53 2.12 0.00 -1.26 -4.86 105.19 104.87 1s6n n GLY 43 Ca 0.06 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1s6n n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s6n n PRO 44 N -0.17 0.99 -3.86 1.61 -0.02 -1.26 -4.69 135.00 127.59 1s6n n PRO 44 Ca 0.00 0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1s6n n PRO 44 Cb 0.12 -2.94 -0.02 0.00 -0.02 0.00 0.00 33.50 30.64 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 -3.70 3.63 0.04 0.00 1.02 0.04 0.10 119.74 120.87 1s6n s LYS 46 Ca 0.12 0.36 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 1s6n s LYS 46 Cb -0.06 -3.91 -0.09 0.00 -0.52 0.00 0.00 37.83 33.25 1s6n s LYS 46 CO 0.08 -1.29 1.86 0.54 -0.92 0.00 0.00 175.35 175.62 1s6n s VAL 47 N 4.06 3.03 -0.71 3.17 0.11 -1.12 -1.20 120.40 127.75 1s6n s VAL 47 Ca 0.42 0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 59.40 1s6n s VAL 47 Cb -0.09 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.62 1s6n s VAL 47 CO 0.29 -0.01 1.82 -2.16 -3.33 0.00 0.00 175.10 171.70 1s6n s PRO 48 N 3.90 2.69 -0.01 1.54 0.04 -1.26 -4.71 135.00 137.19 1s6n s PRO 48 Ca 0.83 0.25 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1s6n s PRO 48 Cb -0.41 -4.57 -0.00 0.00 0.04 0.00 0.00 34.50 29.55 1s6n s PRO 48 CO 0.38 -2.82 -0.07 -1.50 0.04 0.00 0.00 177.00 173.02 1s6n s ILE 49 N 8.89 0.60 0.25 0.56 2.07 -1.26 -0.34 121.20 131.97 1s6n s ILE 49 Ca 0.64 -0.30 -0.14 0.00 -1.41 0.00 0.00 60.65 59.43 1s6n s ILE 49 Cb -0.10 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1s6n s ILE 49 CO 0.14 0.18 0.52 -0.55 -1.91 0.00 0.00 174.94 173.32 1s6n s SER 50 N -0.05 -0.12 -0.08 4.50 0.15 0.24 -4.92 113.70 113.42 1s6n s SER 50 Ca 0.01 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.76 1s6n s SER 50 Cb -0.04 0.61 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1s6n s SER 50 CO -0.00 -1.18 0.09 -0.55 1.20 0.00 0.00 173.24 172.80 1s6n s SER 51 N -3.00 1.33 0.26 5.45 0.15 -1.26 -1.16 113.70 115.46 1s6n s SER 51 Ca 0.20 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.84 1s6n s SER 51 Cb -0.02 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1s6n s SER 51 CO 0.09 -0.27 0.10 0.68 1.20 0.00 0.00 173.24 175.04 1s6n s VAL 52 N 2.19 0.49 -0.15 4.45 -7.23 -0.27 -0.51 120.40 119.37 1s6n s VAL 52 Ca 0.04 -2.00 0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1s6n s VAL 52 Cb -0.13 -2.62 -0.12 0.00 0.56 0.00 0.00 36.38 34.07 1s6n s VAL 52 CO -0.05 0.00 0.82 0.00 -0.31 0.00 0.00 175.10 175.56 1s6n n ALA 53 N -0.46 2.14 -2.71 1.32 0.00 -1.26 0.08 120.51 119.62 1s6n n ALA 53 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 1s6n n ALA 53 Cb 0.66 -0.95 0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.77 -1.19 -0.27 0.00 7.64 -1.26 -3.94 113.62 111.83 1s6n n SER 54 Ca -0.08 -2.66 -0.03 0.00 1.01 0.00 0.00 58.87 57.12 1s6n n SER 54 Cb 0.75 0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 64.69 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 -0.36 0.44 -1.86 -3.43 0.00 -1.26 -4.86 117.00 105.65 1s6n n LEU 55 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 56.01 56.08 1s6n n LEU 55 Cb 0.82 -2.16 -0.02 0.00 0.00 0.00 0.00 43.42 42.06 1s6n n LEU 55 CO 0.01 -0.82 0.64 -0.46 0.00 0.00 0.00 177.39 176.77 1s6n n ASN 56 N -0.34 2.71 0.00 1.96 6.94 -1.26 -4.69 115.26 120.57 1s6n n ASN 56 Ca -0.03 -1.78 0.04 0.00 -0.02 0.00 0.00 54.58 52.79 1s6n n ASN 56 Cb 0.43 -0.61 0.23 0.00 -2.36 0.00 0.00 39.78 37.47 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 1.98 0.00 0.16 0.53 2.03 -1.26 -0.96 116.55 119.03 1s6n n ASP 57 Ca 0.05 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.48 1s6n n ASP 57 Cb 0.30 -0.18 0.59 0.00 -0.72 0.00 0.00 41.12 41.11 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 -1.18 0.57 -3.30 -2.67 -0.00 -1.26 -4.26 117.00 104.89 1s6n n LEU 58 Ca 0.05 0.76 -0.07 0.00 -0.00 0.00 0.00 56.01 56.75 1s6n n LEU 58 Cb 0.05 -0.83 -0.06 0.00 -0.00 0.00 0.00 43.42 42.58 1s6n n LEU 58 CO 0.06 -0.94 -0.04 -0.89 -0.00 0.00 0.00 177.39 175.58 1s6n s THR 59 N -3.55 -0.67 0.29 1.47 2.01 -0.14 -5.16 115.64 109.90 1s6n s THR 59 Ca -0.02 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 1s6n s THR 59 Cb 0.06 -0.92 -0.14 0.00 0.01 0.00 0.00 72.50 71.51 1s6n s THR 59 CO 0.21 -0.19 0.82 -2.65 -0.69 0.00 0.00 174.62 172.12 1s6n n PRO 60 N 5.37 0.91 -0.00 4.92 -0.02 -1.26 -4.90 135.00 140.01 1s6n n PRO 60 Ca -0.01 0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1s6n n PRO 60 Cb 0.50 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.03 0.04 -3.74 -1.45 0.31 -0.62 -4.64 118.33 108.20 1s6n n VAL 61 Ca 0.12 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1s6n n VAL 61 Cb 0.32 -0.63 -0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 2.84 3.03 3.32 2.92 0.00 0.34 0.00 105.19 117.64 1s6n n GLY 62 Ca -0.01 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.94 1.63 0.17 1.61 1.70 -1.16 -4.33 118.95 115.64 1s6n s ARG 63 Ca 0.12 -1.94 -0.19 0.00 -0.47 0.00 0.00 55.73 53.25 1s6n s ARG 63 Cb -0.01 0.01 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 1s6n s ARG 63 CO 0.07 -0.51 0.66 -0.51 -1.08 0.00 0.00 175.30 173.94 1s6n s LEU 64 N -3.38 4.40 -0.01 -1.89 2.01 -1.26 -0.31 118.68 118.24 1s6n s LEU 64 Ca 0.36 1.33 -0.00 0.00 0.01 0.00 0.00 54.13 55.83 1s6n s LEU 64 Cb 0.04 -3.37 -0.00 0.00 0.01 0.00 0.00 46.19 42.87 1s6n s LEU 64 CO 0.20 0.11 -0.01 0.52 1.01 0.00 0.00 176.35 178.17 1s6n n VAL 65 N 0.99 0.04 -0.22 -1.59 0.31 0.12 -4.80 118.33 113.18 1s6n n VAL 65 Ca -0.05 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1s6n n VAL 65 Cb 0.51 -1.15 0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.02 1.22 -3.09 2.52 2.02 -1.79 -3.47 112.91 110.29 1s6n h THR 66 Ca -0.02 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1s6n h THR 66 Cb 1.02 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.83 1s6n h THR 66 CO -0.01 0.25 0.16 0.54 0.37 0.00 0.00 175.52 176.83 1s6n s VAL 67 N -5.68 0.01 0.31 3.16 0.11 -1.26 -5.02 120.40 112.03 1s6n s VAL 67 Ca -0.13 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.16 1s6n s VAL 67 Cb 0.13 -1.40 -0.10 0.00 -1.53 0.00 0.00 36.38 33.48 1s6n s VAL 67 CO 0.79 -0.04 1.41 0.21 -3.33 0.00 0.00 175.10 174.13 1s6n s ASN 68 N -2.83 6.62 -1.13 3.54 3.84 -1.26 -4.85 114.94 118.87 1s6n s ASN 68 Ca 0.06 2.77 -0.23 0.00 0.21 0.00 0.00 52.86 55.67 1s6n s ASN 68 Cb -0.02 -2.64 -0.06 0.00 -0.55 0.00 0.00 41.25 37.97 1s6n s ASN 68 CO -0.05 -0.68 1.91 -2.16 -2.79 0.00 0.00 177.10 173.32 1s6n s PRO 69 N -1.25 2.66 -0.20 0.43 0.04 -1.26 -4.85 135.00 130.57 1s6n s PRO 69 Ca 0.54 -1.06 -0.04 0.00 0.04 0.00 0.00 61.00 60.49 1s6n s PRO 69 Cb -0.42 -5.23 0.09 0.00 0.04 0.00 0.00 34.50 28.97 1s6n s PRO 69 CO 0.51 -3.68 0.22 0.12 0.04 0.00 0.00 177.00 174.21 1s6n s PHE 70 N 10.12 -0.26 -1.04 0.56 5.36 -1.26 -2.78 117.98 128.68 1s6n s PHE 70 Ca 0.67 0.22 -0.23 0.00 -0.96 0.00 0.00 56.93 56.63 1s6n s PHE 70 Cb -0.02 -0.36 -0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1s6n s PHE 70 CO 0.09 -0.59 1.75 0.08 -1.46 0.00 0.00 175.22 175.09 1s6n s VAL 71 N 2.32 3.71 0.11 3.12 1.01 0.11 -4.88 120.40 125.90 1s6n s VAL 71 Ca 0.07 -0.79 0.34 0.00 0.00 0.00 0.00 61.98 61.60 1s6n s VAL 71 Cb -0.16 -4.61 0.39 0.00 0.00 0.00 0.00 36.38 32.00 1s6n s VAL 71 CO -0.12 -1.44 2.00 0.28 0.00 0.00 0.00 175.10 175.82 1s6n h SER 72 N 10.06 0.00 -5.05 3.32 0.02 -1.93 -1.75 113.55 118.22 1s6n h SER 72 Ca 0.20 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1s6n h SER 72 Cb 0.98 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.35 1s6n h SER 72 CO 1.32 0.00 -0.22 0.68 -1.14 0.00 0.00 176.83 177.47 1s6n s VAL 73 N -3.68 0.08 0.17 2.27 -7.23 -1.26 -4.93 120.40 105.82 1s6n s VAL 73 Ca 0.01 -0.65 0.35 0.00 -1.81 0.00 0.00 61.98 59.88 1s6n s VAL 73 Cb 0.09 -0.95 0.39 0.00 0.56 0.00 0.00 36.38 36.47 1s6n s VAL 73 CO 0.52 -0.36 2.04 0.00 -0.31 0.00 0.00 175.10 176.99 1s6n h ALA 74 N 3.16 1.00 -0.02 1.32 0.00 -1.89 -2.67 119.26 120.15 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 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s6n h ALA 74 CO 0.46 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.96 1s6n n THR 75 N -3.02 0.03 0.46 0.00 -2.24 -1.26 -4.29 114.28 103.96 1s6n n THR 75 Ca -0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1s6n n THR 75 Cb 0.25 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.52 1.63 0.36 6.98 0.00 -1.01 -4.58 120.51 123.38 1s6n n ALA 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 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 0.07 0.59 -4.79 0.00 4.13 -1.26 -4.62 115.26 109.38 1s6n n ASN 77 Ca 0.00 -0.72 -0.27 0.00 1.68 0.00 0.00 54.58 55.27 1s6n n ASN 77 Cb 0.06 -0.18 0.09 0.00 -1.54 0.00 0.00 39.78 38.21 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 -0.47 2.94 -0.30 5.41 0.00 -1.26 -4.59 121.76 123.49 1s6n s ALA 78 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1s6n s ALA 78 Cb 0.00 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.49 1s6n s ALA 78 CO 0.00 -1.57 0.02 0.21 0.00 0.00 0.00 175.76 174.43 1s6n s LYS 79 N -5.41 2.61 -0.03 0.00 2.36 -1.26 -0.65 119.74 117.36 1s6n s LYS 79 Ca 0.63 -1.16 -0.01 0.00 -2.55 0.00 0.00 55.97 52.88 1s6n s LYS 79 Cb -0.09 -3.24 0.03 0.00 -1.05 0.00 0.00 37.83 33.48 1s6n s LYS 79 CO 0.47 -0.58 0.05 0.54 1.55 0.00 0.00 175.35 177.38 1s6n s VAL 80 N 1.33 -0.10 0.10 4.02 0.11 0.32 -4.99 120.40 121.19 1s6n s VAL 80 Ca -0.03 0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 59.12 1s6n s VAL 80 Cb -0.19 -0.13 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 1s6n s VAL 80 CO -0.00 0.16 0.89 -0.22 -3.33 0.00 0.00 175.10 172.59 1s6n s LEU 81 N 1.88 4.50 -0.01 2.54 0.20 -1.26 -1.93 118.68 124.60 1s6n s LEU 81 Ca 0.01 1.69 0.01 0.00 0.69 0.00 0.00 54.13 56.53 1s6n s LEU 81 Cb -0.12 -3.46 -0.00 0.00 -0.43 0.00 0.00 46.19 42.18 1s6n s LEU 81 CO -0.03 -0.01 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.34 1s6n s ILE 82 N -0.17 0.38 -0.01 6.68 1.01 0.50 -4.99 121.20 124.60 1s6n s ILE 82 Ca 0.43 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 1s6n s ILE 82 Cb -0.23 -0.33 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 1s6n s ILE 82 CO 0.28 0.11 0.47 -1.61 0.00 0.00 0.00 174.94 174.19 1s6n s GLU 83 N -0.04 4.10 0.35 2.79 2.02 -1.26 -0.27 118.70 126.39 1s6n s GLU 83 Ca 0.01 0.51 0.09 0.00 0.02 0.00 0.00 54.97 55.60 1s6n s GLU 83 Cb -0.03 -3.28 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 1s6n s GLU 83 CO -0.00 0.53 -0.08 -0.51 0.02 0.00 0.00 175.26 175.22 1s6n s LEU 84 N -0.62 2.75 -0.38 1.80 1.02 -0.19 -0.70 118.68 122.35 1s6n s LEU 84 Ca 0.26 -1.22 -0.11 0.00 0.02 0.00 0.00 54.13 53.08 1s6n s LEU 84 Cb -0.17 -0.98 0.04 0.00 0.02 0.00 0.00 46.19 45.09 1s6n s LEU 84 CO 0.14 -0.24 0.21 -0.70 0.02 0.00 0.00 176.35 175.78 1s6n s GLU 85 N -3.62 2.78 -0.28 1.70 2.12 0.58 -0.24 118.70 121.73 1s6n s GLU 85 Ca 0.33 -1.15 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 1s6n s GLU 85 Cb 0.04 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1s6n s GLU 85 CO 0.17 -0.75 0.49 -1.25 -0.54 0.00 0.00 175.26 173.38 1s6n s PRO 86 N 1.53 3.96 0.67 4.30 0.04 -1.26 -3.15 135.00 141.09 1s6n s PRO 86 Ca 0.02 0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.05 1s6n s PRO 86 Cb -0.20 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 30.56 1s6n s PRO 86 CO 0.06 -0.41 0.15 -2.30 0.04 0.00 0.00 177.00 174.54 1s6n n PRO 87 N 5.56 0.20 -2.87 0.56 -0.02 -1.26 -4.87 135.00 132.30 1s6n n PRO 87 Ca -0.05 0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1s6n n PRO 87 Cb 0.50 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 1s6n n PRO 87 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1s6n s PHE 88 N -1.92 3.42 0.00 6.00 0.40 -1.26 -4.33 117.98 120.28 1s6n s PHE 88 Ca 0.60 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1s6n s PHE 88 Cb -0.39 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1s6n s PHE 88 CO 0.63 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.88 1s6n n GLY 89 N -0.95 1.18 3.47 4.36 0.00 0.54 -4.94 105.19 108.86 1s6n n GLY 89 Ca 0.04 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 2.75 0.05 1.61 1.01 -1.26 -0.42 116.67 116.41 1s6n s ASP 90 Ca 0.00 -1.31 -0.19 0.00 0.71 0.00 0.00 52.55 51.76 1s6n s ASP 90 Cb 0.00 -0.17 0.04 0.00 1.01 0.00 0.00 42.92 43.81 1s6n s ASP 90 CO 0.00 -0.49 0.44 -0.44 0.21 0.00 0.00 175.17 174.89 1s6n s SER 91 N -3.51 -0.32 -0.14 0.27 0.01 0.60 -4.43 113.70 106.18 1s6n s SER 91 Ca 0.34 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.61 1s6n s SER 91 Cb 0.07 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.79 1s6n s SER 91 CO 0.15 -0.69 -0.02 -0.31 0.41 0.00 0.00 173.24 172.77 1s6n s TYR 92 N -2.56 1.26 -0.50 2.43 1.51 0.11 -0.35 117.35 119.26 1s6n s TYR 92 Ca -0.05 -0.77 -0.20 0.00 -1.01 0.00 0.00 57.07 55.05 1s6n s TYR 92 Cb -0.01 -1.11 0.05 0.00 -0.11 0.00 0.00 41.96 40.79 1s6n s TYR 92 CO -0.03 -0.53 0.64 0.42 -1.11 0.00 0.00 175.55 174.94 1s6n s ILE 93 N 1.78 4.84 -0.10 2.71 -1.09 0.71 -1.12 121.20 128.93 1s6n s ILE 93 Ca 0.02 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1s6n s ILE 93 Cb -0.15 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1s6n s ILE 93 CO -0.07 -0.80 -0.03 -0.69 -1.23 0.00 0.00 174.94 172.12 1s6n s VAL 94 N 2.73 3.99 -0.18 2.92 1.01 -0.31 -0.60 120.40 129.96 1s6n s VAL 94 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1s6n s VAL 94 Cb -0.18 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.58 1s6n s VAL 94 CO 0.13 0.57 0.05 -0.69 0.00 0.00 0.00 175.10 175.17 1s6n s VAL 95 N -0.52 0.29 0.00 2.92 1.01 0.03 -0.59 120.40 123.55 1s6n s VAL 95 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1s6n s VAL 95 Cb -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1s6n s VAL 95 CO 0.02 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1s6n n GLY 96 N 5.14 2.27 3.00 4.51 0.00 0.54 -0.13 105.19 120.52 1s6n n GLY 96 Ca -0.08 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.68 1.98 0.00 1.61 1.70 0.28 -4.80 118.95 118.04 1s6n s ARG 97 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 1s6n s ARG 97 Cb 0.00 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 1s6n s ARG 97 CO 0.00 -0.14 0.00 0.41 -1.08 0.00 0.00 175.30 174.49 1s6n n GLY 98 N 4.46 0.53 0.21 3.88 0.00 -1.26 -0.59 105.19 112.42 1s6n n GLY 98 Ca -0.17 0.52 0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.81 1.61 9.09 -2.05 -3.38 114.58 117.04 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 -0.80 1.14 0.05 0.00 0.00 179.01 179.40 1s6n s GLN 100 N -3.61 0.79 0.09 1.06 -2.07 0.24 -5.13 119.66 111.03 1s6n s GLN 100 Ca 0.00 -1.48 -0.01 0.00 -1.82 0.00 0.00 55.36 52.05 1s6n s GLN 100 Cb 0.09 -1.70 -0.04 0.00 -1.09 0.00 0.00 33.01 30.27 1s6n s GLN 100 CO 0.38 -1.16 -0.00 1.14 -1.32 0.00 0.00 175.29 174.33 1s6n s GLN 101 N 0.94 0.75 0.10 9.60 1.03 -1.26 -0.55 119.66 130.27 1s6n s GLN 101 Ca 0.17 -1.32 -0.02 0.00 0.04 0.00 0.00 55.36 54.23 1s6n s GLN 101 Cb -0.23 0.18 -0.03 0.00 0.03 0.00 0.00 33.01 32.96 1s6n s GLN 101 CO -0.04 -0.16 0.05 0.42 -2.54 0.00 0.00 175.29 173.02 1s6n s ILE 102 N -3.94 0.15 0.04 3.63 1.01 0.81 -4.98 121.20 117.93 1s6n s ILE 102 Ca 0.14 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.87 1s6n s ILE 102 Cb 0.08 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1s6n s ILE 102 CO -0.05 -0.68 0.31 0.54 0.00 0.00 0.00 174.94 175.07 1s6n s ASN 103 N -2.98 -0.14 0.35 3.58 2.20 -1.26 -0.79 114.94 115.90 1s6n s ASN 103 Ca 0.15 -0.16 0.05 0.00 -0.94 0.00 0.00 52.86 51.97 1s6n s ASN 103 Cb 0.07 0.36 -0.07 0.00 -2.00 0.00 0.00 41.25 39.62 1s6n s ASN 103 CO -0.04 -0.61 0.03 -1.00 -2.94 0.00 0.00 177.10 172.53 1s6n s HIS 104 N -2.49 2.16 0.10 1.54 3.76 0.23 -5.00 115.29 115.59 1s6n s HIS 104 Ca -0.05 -0.82 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1s6n s HIS 104 Cb -0.01 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 1s6n s HIS 104 CO -0.03 0.20 0.02 -3.38 -0.85 0.00 0.00 174.74 170.70 1s6n s HIS 105 N -3.06 0.72 0.06 1.40 -3.43 -1.26 -0.21 115.29 109.51 1s6n s HIS 105 Ca 0.35 -1.17 -0.05 0.00 -0.80 0.00 0.00 55.06 53.40 1s6n s HIS 105 Cb 0.08 -0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 30.77 1s6n s HIS 105 CO 0.16 -0.46 0.08 -1.58 -2.00 0.00 0.00 174.74 170.93 1s6n s TRP 106 N -4.00 0.31 -0.20 0.38 0.52 0.53 -4.93 118.94 111.55 1s6n s TRP 106 Ca 0.17 -0.75 -0.04 0.00 0.02 0.00 0.00 56.10 55.50 1s6n s TRP 106 Cb 0.08 -0.21 0.09 0.00 -1.15 0.00 0.00 33.47 32.28 1s6n s TRP 106 CO -0.03 -0.43 0.22 -1.01 0.02 0.00 0.00 176.95 175.72 1s6n s HIS 107 N -3.53 -0.28 -0.27 -1.98 3.76 -1.26 -0.29 115.29 111.43 1s6n s HIS 107 Ca 0.03 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1s6n s HIS 107 Cb 0.04 -0.35 0.16 0.00 1.11 0.00 0.00 32.58 33.54 1s6n s HIS 107 CO -0.09 -0.59 0.45 -1.59 -0.85 0.00 0.00 174.74 172.07 1s6n s LYS 108 N 2.33 0.43 -1.04 1.40 -2.85 0.43 -4.88 119.74 115.57 1s6n s LYS 108 Ca 0.07 0.47 -0.07 0.00 -1.00 0.00 0.00 55.97 55.44 1s6n s LYS 108 Cb -0.16 -0.17 0.01 0.00 -2.06 0.00 0.00 37.83 35.46 1s6n s LYS 108 CO -0.12 -0.83 0.89 0.45 0.10 0.00 0.00 175.35 175.84 1s6n n SER 109 N 5.38 -5.34 0.00 0.03 2.88 -0.37 -0.34 113.62 115.86 1s6n n SER 109 Ca -0.01 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1s6n n SER 109 Cb 0.50 -3.95 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 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 -1.64 0.00 3.73 0.46 0.00 0.66 -4.35 105.19 104.05 1s6n n GLY 110 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 4.30 0.66 1.61 0.15 0.71 -4.56 113.70 116.57 1s6n s SER 111 Ca 0.00 2.17 0.30 0.00 0.70 0.00 0.00 55.95 59.12 1s6n s SER 111 Cb 0.00 -2.57 1.60 0.00 -1.71 0.00 0.00 66.02 63.35 1s6n s SER 111 CO 0.00 -2.18 1.91 0.28 1.20 0.00 0.00 173.24 174.45 1s6n h SER 112 N -0.53 0.00 -0.19 5.45 0.02 -1.89 0.91 113.55 117.32 1s6n h SER 112 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1s6n h SER 112 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1s6n h SER 112 CO 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.19 1s6n n ILE 113 N -2.96 0.24 -0.28 3.27 0.13 -1.26 -5.00 119.36 113.49 1s6n n ILE 113 Ca -0.01 -0.62 0.00 0.00 -1.10 0.00 0.00 62.75 61.02 1s6n n ILE 113 Cb 0.41 1.24 0.00 0.00 -0.84 0.00 0.00 39.64 40.45 1s6n n ILE 113 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1s6n n GLY 114 N 1.35 0.75 0.00 4.50 0.00 0.31 -5.17 105.19 106.93 1s6n n GLY 114 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1s6n n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90