#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 -0.09 0.21 7.28 0.15 -1.25 -3.50 113.70 116.51 1s6n s SER 2 Ca 0.00 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 55.80 1s6n s SER 2 Cb 0.00 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1s6n s SER 2 CO 0.00 -1.09 0.13 -1.84 1.20 0.00 0.00 173.24 171.64 1s6n n GLU 3 N -0.35 0.43 -0.09 5.44 0.00 -1.26 -5.07 120.64 119.74 1s6n n GLU 3 Ca -0.03 -1.95 -0.11 0.00 0.00 0.00 0.00 57.16 55.08 1s6n n GLU 3 Cb 0.62 1.37 -0.04 0.00 0.00 0.00 0.00 31.44 33.40 1s6n n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1s6n n PHE 4 N -0.43 0.05 -0.23 -1.84 3.72 -1.26 -4.76 117.46 112.71 1s6n n PHE 4 Ca 0.01 0.02 0.22 0.00 -0.05 0.00 0.00 57.45 57.66 1s6n n PHE 4 Cb 0.35 -0.56 0.58 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.00 0.27 0.00 -1.08 -0.00 -2.02 -0.83 115.11 110.45 1s6n h GLN 5 Ca -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1s6n h GLN 5 Cb 1.04 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1s6n h GLN 5 CO -0.04 0.18 0.00 1.25 -0.00 0.00 0.00 178.83 180.22 1s6n h LEU 6 N 0.28 0.00 -0.58 0.06 5.85 -2.01 -0.76 115.31 118.15 1s6n h LEU 6 Ca 0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1s6n h LEU 6 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1s6n h LEU 6 CO -0.14 0.00 -0.05 0.29 -0.34 0.00 0.00 178.44 178.20 1s6n n LYS 7 N -3.05 1.26 0.00 1.25 4.01 -0.32 -4.19 118.16 117.13 1s6n n LYS 7 Ca -0.02 -0.58 0.00 0.00 -0.51 0.00 0.00 58.31 57.19 1s6n n LYS 7 Cb 0.11 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 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 1.18 0.00 2.85 0.72 0.00 -0.29 -4.65 105.19 104.99 1s6n n GLY 8 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1s6n n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s6n n THR 9 N 0.00 1.04 0.28 2.61 -1.04 -1.26 -4.80 114.28 111.10 1s6n n THR 9 Ca 0.00 -0.62 0.11 0.00 -2.04 0.00 0.00 64.05 61.50 1s6n n THR 9 Cb 0.00 -1.78 0.77 0.00 -1.82 0.00 0.00 70.33 67.50 1s6n n THR 9 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1s6n h THR 10 N 3.79 0.77 -4.65 12.58 2.02 -1.94 -3.45 112.91 122.04 1s6n h THR 10 Ca 0.22 -0.03 -0.44 0.00 0.77 0.00 0.00 66.41 66.92 1s6n h THR 10 Cb 0.09 1.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.40 1s6n h THR 10 CO 1.21 0.01 -0.43 -1.22 0.37 0.00 0.00 175.52 175.46 1s6n n TYR 11 N -4.18 -0.75 -1.85 3.16 4.01 -1.26 -5.02 117.16 111.27 1s6n n TYR 11 Ca -0.03 -2.60 -0.41 0.00 -0.16 0.00 0.00 57.90 54.70 1s6n n TYR 11 Cb 0.09 0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 39.39 1s6n n TYR 11 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1s6n s GLY 12 N -3.16 2.73 -0.78 2.72 0.00 -1.26 -4.32 107.32 103.24 1s6n s GLY 12 Ca 0.37 1.52 -0.25 0.00 0.00 0.00 0.00 44.72 46.36 1s6n s GLY 12 CO 0.26 2.28 1.73 0.54 0.00 0.00 0.00 173.10 177.92 1s6n s VAL 13 N -0.81 3.52 0.28 1.40 0.11 -1.26 -0.64 120.40 123.01 1s6n s VAL 13 Ca 0.55 -0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.39 1s6n s VAL 13 Cb -0.46 -4.28 0.01 0.00 -1.53 0.00 0.00 36.38 30.12 1s6n s VAL 13 CO 0.57 -1.23 0.56 0.00 -3.33 0.00 0.00 175.10 171.68 1s6n n SER 15 N -0.66 0.00 0.00 0.00 3.41 -1.26 -2.37 113.62 112.74 1s6n n SER 15 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 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 -0.27 0.00 -3.18 4.33 4.81 -1.26 -4.34 118.16 118.25 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 0.00 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 0.81 4.74 -2.46 3.14 0.00 -1.26 -4.98 120.51 120.50 1s6n n ALA 17 Ca 0.00 -4.76 -0.24 0.00 0.00 0.00 0.00 53.44 48.43 1s6n n ALA 17 Cb 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.26 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 -2.40 1.98 0.02 0.00 0.40 -1.26 -0.66 117.98 116.05 1s6n s PHE 18 Ca 0.32 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1s6n s PHE 18 Cb 0.03 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 1s6n s PHE 18 CO 0.04 0.34 -0.03 0.21 0.70 0.00 0.00 175.22 176.49 1s6n s LYS 19 N -2.49 0.25 0.20 0.44 2.20 -0.21 -4.85 119.74 115.27 1s6n s LYS 19 Ca 0.15 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1s6n s LYS 19 Cb -0.08 0.05 -0.09 0.00 -1.51 0.00 0.00 37.83 36.21 1s6n s LYS 19 CO 0.07 -0.03 1.41 -0.06 -0.36 0.00 0.00 175.35 176.37 1s6n s PHE 20 N -1.09 3.14 -0.26 4.03 0.08 -1.26 -0.26 117.98 122.36 1s6n s PHE 20 Ca -0.12 1.02 -0.16 0.00 0.12 0.00 0.00 56.93 57.79 1s6n s PHE 20 Cb -0.07 -3.74 -0.13 0.00 -0.57 0.00 0.00 43.02 38.50 1s6n s PHE 20 CO -0.01 -2.47 -0.22 -0.11 -0.10 0.00 0.00 175.22 172.32 1s6n n LEU 21 N 2.95 1.93 -3.69 -0.37 -0.00 0.30 -4.77 117.00 113.35 1s6n n LEU 21 Ca 0.08 0.36 -0.20 0.00 -0.00 0.00 0.00 56.01 56.26 1s6n n LEU 21 Cb 0.41 -0.85 -0.18 0.00 -0.00 0.00 0.00 43.42 42.80 1s6n n LEU 21 CO 0.59 0.47 -0.35 -0.83 -0.00 0.00 0.00 177.39 177.27 1s6n s GLY 22 N -5.32 0.25 0.50 -3.96 0.00 -0.37 -5.00 107.32 93.42 1s6n s GLY 22 Ca -0.36 0.15 -0.21 0.00 0.00 0.00 0.00 44.72 44.30 1s6n s GLY 22 CO 0.51 1.30 0.67 2.41 0.00 0.00 0.00 173.10 177.99 1s6n n THR 23 N 5.19 2.29 -1.66 0.90 -1.04 -1.26 -0.90 114.28 117.81 1s6n n THR 23 Ca -0.05 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.07 1s6n n THR 23 Cb 0.50 -0.78 0.05 0.00 -1.82 0.00 0.00 70.33 68.28 1s6n n THR 23 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1s6n n PRO 24 N 0.09 1.13 -3.87 -2.82 -0.02 -1.26 -4.69 135.00 123.56 1s6n n PRO 24 Ca 0.11 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1s6n n PRO 24 Cb 0.43 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1s6n n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6n s ALA 25 N -1.43 -0.15 0.25 3.55 0.00 0.25 -4.97 121.76 119.26 1s6n s ALA 25 Ca 0.75 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 1s6n s ALA 25 Cb -0.43 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1s6n s ALA 25 CO 0.47 -0.07 1.07 0.34 0.00 0.00 0.00 175.76 177.58 1s6n s ASP 26 N -0.35 7.33 0.31 0.00 -1.08 -1.26 -0.41 116.67 121.20 1s6n s ASP 26 Ca -0.04 2.17 0.20 0.00 -0.52 0.00 0.00 52.55 54.36 1s6n s ASP 26 Cb -0.03 -2.62 0.14 0.00 -1.46 0.00 0.00 42.92 38.96 1s6n s ASP 26 CO 0.00 -0.12 1.36 0.71 0.52 0.00 0.00 175.17 177.64 1s6n h THR 27 N 3.28 0.27 0.00 1.71 1.35 -1.41 -3.46 112.91 114.64 1s6n h THR 27 Ca -0.46 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1s6n h THR 27 Cb 1.21 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1s6n h THR 27 CO 0.69 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1s6n n GLY 28 N 1.18 2.08 0.12 5.82 0.00 -1.26 -4.84 105.19 108.29 1s6n n GLY 28 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.80 0.00 1.61 8.25 -1.26 -4.88 115.22 117.74 1s6n n HIS 29 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1s6n n HIS 29 Cb 0.00 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.13 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 0.28 0.31 3.94 -1.41 0.00 -1.26 -5.10 105.19 101.95 1s6n n GLY 30 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 3.94 -0.24 2.61 -4.23 -1.26 -4.45 115.64 110.00 1s6n s THR 31 Ca 0.00 -1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1s6n s THR 31 Cb 0.00 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1s6n s THR 31 CO 0.00 -0.17 0.03 0.68 -0.54 0.00 0.00 174.62 174.62 1s6n s VAL 32 N -2.21 3.89 -0.04 2.29 -7.23 0.24 -0.95 120.40 116.39 1s6n s VAL 32 Ca 0.43 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 1s6n s VAL 32 Cb -0.08 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1s6n s VAL 32 CO 0.29 0.33 0.98 0.68 -0.31 0.00 0.00 175.10 177.08 1s6n s VAL 33 N 1.54 4.84 -0.03 1.32 -7.23 0.45 -0.71 120.40 120.59 1s6n s VAL 33 Ca 0.06 2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 62.25 1s6n s VAL 33 Cb -0.15 -4.31 0.02 0.00 0.56 0.00 0.00 36.38 32.50 1s6n s VAL 33 CO 0.01 0.11 0.06 -0.22 -0.31 0.00 0.00 175.10 174.75 1s6n s LEU 34 N 1.37 1.44 -0.10 1.32 1.98 0.10 -0.58 118.68 124.21 1s6n s LEU 34 Ca 0.50 0.13 0.02 0.00 -2.89 0.00 0.00 54.13 51.89 1s6n s LEU 34 Cb -0.20 0.16 -0.01 0.00 0.66 0.00 0.00 46.19 46.80 1s6n s LEU 34 CO 0.24 -0.07 -0.18 -0.70 -1.89 0.00 0.00 176.35 173.75 1s6n s GLU 35 N 0.47 3.09 0.32 1.98 2.12 -0.07 -0.32 118.70 126.28 1s6n s GLU 35 Ca -0.04 -0.77 0.10 0.00 0.36 0.00 0.00 54.97 54.62 1s6n s GLU 35 Cb -0.05 -2.44 -0.06 0.00 0.26 0.00 0.00 34.13 31.84 1s6n s GLU 35 CO -0.02 0.27 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.36 1s6n s LEU 36 N 0.17 2.78 0.02 2.70 1.43 -0.56 -0.54 118.68 124.69 1s6n s LEU 36 Ca -0.10 -1.06 0.08 0.00 -1.03 0.00 0.00 54.13 52.02 1s6n s LEU 36 Cb -0.16 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1s6n s LEU 36 CO 0.06 -0.12 -0.23 0.00 0.23 0.00 0.00 176.35 176.30 1s6n s GLN 37 N -3.61 1.64 -0.64 1.70 -2.07 0.64 -0.38 119.66 116.95 1s6n s GLN 37 Ca 0.32 -0.92 -0.18 0.00 -1.82 0.00 0.00 55.36 52.77 1s6n s GLN 37 Cb -0.01 -1.70 0.13 0.00 -1.09 0.00 0.00 33.01 30.33 1s6n s GLN 37 CO 0.17 0.45 0.71 -0.47 -1.32 0.00 0.00 175.29 174.83 1s6n s TYR 38 N -0.69 3.15 -0.07 9.60 5.04 -0.35 -1.05 117.35 132.98 1s6n s TYR 38 Ca 0.09 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.53 1s6n s TYR 38 Cb -0.09 -3.97 0.07 0.00 0.35 0.00 0.00 41.96 38.32 1s6n s TYR 38 CO 0.01 -1.22 1.58 0.25 -1.34 0.00 0.00 175.55 174.82 1s6n n THR 39 N 5.29 1.77 -3.92 4.34 -2.24 0.16 -4.59 114.28 115.09 1s6n n THR 39 Ca -0.05 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 1s6n n THR 39 Cb 0.43 -1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 1s6n n THR 39 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s6n s GLY 40 N 1.12 0.54 0.00 3.38 0.00 -1.26 -4.90 107.32 106.20 1s6n s GLY 40 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1s6n s GLY 40 CO 0.01 -0.47 0.64 -1.30 0.00 0.00 0.00 173.10 171.98 1s6n n THR 41 N -0.49 0.33 -4.32 0.90 -2.24 -1.26 -4.58 114.28 102.62 1s6n n THR 41 Ca -0.04 -0.63 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 1s6n n THR 41 Cb 0.60 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.33 1.67 0.00 3.42 -4.77 -1.26 -4.65 116.67 110.75 1s6n s ASP 42 Ca 0.00 -1.24 0.00 0.00 -3.30 0.00 0.00 52.55 48.01 1s6n s ASP 42 Cb 0.00 0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.87 1s6n s ASP 42 CO 0.00 -0.55 0.00 0.61 0.70 0.00 0.00 175.17 175.93 1s6n n GLY 43 N -0.40 0.66 3.53 2.12 0.00 -1.26 -4.86 105.19 104.98 1s6n n GLY 43 Ca -0.05 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 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 1.48 -3.89 1.61 -0.02 -1.26 -4.83 135.00 128.08 1s6n n PRO 44 Ca 0.00 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1s6n n PRO 44 Cb 0.00 -2.94 -0.04 0.00 -0.02 0.00 0.00 33.50 30.50 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 -3.95 3.51 -0.13 0.00 2.47 0.19 0.10 119.74 121.94 1s6n s LYS 46 Ca 0.15 -1.86 -0.29 0.00 -1.56 0.00 0.00 55.97 52.42 1s6n s LYS 46 Cb -0.03 -4.68 -0.06 0.00 -1.46 0.00 0.00 37.83 31.61 1s6n s LYS 46 CO 0.06 -1.62 2.03 0.54 0.16 0.00 0.00 175.35 176.52 1s6n s VAL 47 N 2.07 3.12 -1.01 4.02 0.11 -1.00 -2.04 120.40 125.67 1s6n s VAL 47 Ca 0.26 0.13 -0.23 0.00 -2.93 0.00 0.00 61.98 59.21 1s6n s VAL 47 Cb -0.09 -3.12 0.01 0.00 -1.53 0.00 0.00 36.38 31.65 1s6n s VAL 47 CO -0.07 -0.05 1.65 -2.16 -3.33 0.00 0.00 175.10 171.14 1s6n s PRO 48 N 5.41 3.24 0.04 1.54 0.04 -1.26 -4.68 135.00 139.33 1s6n s PRO 48 Ca 0.92 -0.93 0.05 0.00 0.04 0.00 0.00 61.00 61.08 1s6n s PRO 48 Cb -0.35 -5.27 -0.03 0.00 0.04 0.00 0.00 34.50 28.88 1s6n s PRO 48 CO 0.37 -2.67 -0.10 -1.50 0.04 0.00 0.00 177.00 173.14 1s6n s ILE 49 N 6.82 3.39 0.27 0.56 2.07 -1.26 -0.16 121.20 132.90 1s6n s ILE 49 Ca 0.55 -0.98 -0.11 0.00 -1.41 0.00 0.00 60.65 58.71 1s6n s ILE 49 Cb -0.02 -2.49 -0.00 0.00 0.13 0.00 0.00 42.46 40.08 1s6n s ILE 49 CO -0.05 0.31 0.49 -0.55 -1.91 0.00 0.00 174.94 173.24 1s6n s SER 50 N -1.61 0.12 -0.23 4.50 0.15 0.21 -4.93 113.70 111.91 1s6n s SER 50 Ca 0.18 -1.07 -0.03 0.00 0.70 0.00 0.00 55.95 55.72 1s6n s SER 50 Cb -0.11 0.61 0.10 0.00 -1.71 0.00 0.00 66.02 64.91 1s6n s SER 50 CO 0.09 -1.20 0.19 -0.55 1.20 0.00 0.00 173.24 172.97 1s6n s SER 51 N -3.07 2.01 0.05 5.45 0.15 -1.26 -2.71 113.70 114.33 1s6n s SER 51 Ca 0.24 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 56.32 1s6n s SER 51 Cb -0.01 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1s6n s SER 51 CO 0.12 -0.36 -0.07 0.68 1.20 0.00 0.00 173.24 174.80 1s6n s VAL 52 N 2.26 0.54 0.22 4.45 -7.23 -0.36 -0.55 120.40 119.71 1s6n s VAL 52 Ca 0.07 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.09 1s6n s VAL 52 Cb -0.15 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 35.96 1s6n s VAL 52 CO -0.20 -0.46 1.50 0.00 -0.31 0.00 0.00 175.10 175.63 1s6n h ALA 53 N 4.29 0.75 0.00 1.32 0.00 -1.85 0.22 119.26 123.99 1s6n h ALA 53 Ca -0.36 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 1s6n h ALA 53 Cb 1.20 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 1s6n h ALA 53 CO 0.44 0.81 -0.78 -1.13 0.00 0.00 0.00 179.25 178.58 1s6n n SER 54 N -3.78 0.98 0.00 0.00 3.41 -1.26 -4.34 113.62 108.63 1s6n n SER 54 Ca -0.02 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1s6n n SER 54 Cb 0.68 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1s6n n SER 54 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s6n n LEU 55 N 0.03 0.81 -2.35 1.04 4.77 -1.26 -4.90 117.00 115.15 1s6n n LEU 55 Ca 0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1s6n n LEU 55 Cb 0.96 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1s6n n LEU 55 CO -0.03 -0.54 0.98 -0.46 -1.33 0.00 0.00 177.39 176.01 1s6n n ASN 56 N -0.26 2.08 0.12 -1.43 6.94 -1.26 -4.72 115.26 116.73 1s6n n ASN 56 Ca 0.00 -1.89 0.09 0.00 -0.02 0.00 0.00 54.58 52.75 1s6n n ASN 56 Cb 0.13 -0.56 0.46 0.00 -2.36 0.00 0.00 39.78 37.44 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 2.89 0.45 0.00 0.53 2.03 -1.26 -0.68 116.55 120.51 1s6n n ASP 57 Ca 0.17 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1s6n n ASP 57 Cb 0.34 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.09 0.00 -3.28 -2.67 -0.00 -1.26 -4.25 117.00 103.45 1s6n n LEU 58 Ca -0.01 0.29 -0.06 0.00 -0.00 0.00 0.00 56.01 56.23 1s6n n LEU 58 Cb 0.05 -0.29 -0.05 0.00 -0.00 0.00 0.00 43.42 43.13 1s6n n LEU 58 CO 0.09 -0.29 -0.02 -0.89 -0.00 0.00 0.00 177.39 176.28 1s6n s THR 59 N -2.56 -0.70 -0.02 1.47 2.01 0.14 -5.14 115.64 110.84 1s6n s THR 59 Ca 0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1s6n s THR 59 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1s6n s THR 59 CO 0.00 -0.18 1.46 -2.16 -0.69 0.00 0.00 174.62 173.04 1s6n s PRO 60 N 2.61 4.25 -0.16 4.92 0.04 -1.26 -4.90 135.00 140.50 1s6n s PRO 60 Ca 0.12 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.22 1s6n s PRO 60 Cb -0.13 -3.67 -0.14 0.00 0.04 0.00 0.00 34.50 30.60 1s6n s PRO 60 CO -0.25 -0.65 -0.08 0.28 0.04 0.00 0.00 177.00 176.33 1s6n n VAL 61 N 4.89 0.99 -2.57 -0.36 0.31 -1.14 -4.46 118.33 115.99 1s6n n VAL 61 Ca 0.14 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1s6n n VAL 61 Cb 0.43 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 2.47 1.77 3.30 2.92 0.00 0.28 -0.05 105.19 115.89 1s6n n GLY 62 Ca -0.28 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.46 1.52 0.18 1.61 1.70 -1.16 -4.33 118.95 118.02 1s6n s ARG 63 Ca 0.00 -1.75 -0.26 0.00 -0.47 0.00 0.00 55.73 53.25 1s6n s ARG 63 Cb 0.00 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1s6n s ARG 63 CO 0.00 -0.56 0.80 -0.51 -1.08 0.00 0.00 175.30 173.96 1s6n s LEU 64 N -3.23 4.60 -0.21 -1.89 2.01 -1.26 -0.29 118.68 118.40 1s6n s LEU 64 Ca 0.37 1.69 -0.10 0.00 0.01 0.00 0.00 54.13 56.10 1s6n s LEU 64 Cb 0.04 -3.35 -0.09 0.00 0.01 0.00 0.00 46.19 42.79 1s6n s LEU 64 CO 0.18 0.20 -0.27 0.52 1.01 0.00 0.00 176.35 177.99 1s6n n VAL 65 N 1.56 1.17 0.03 -1.59 0.31 -0.03 -4.76 118.33 115.03 1s6n n VAL 65 Ca -0.05 -0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 63.85 1s6n n VAL 65 Cb 0.48 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.72 1.01 -3.08 2.52 2.02 -1.67 -3.48 112.91 109.52 1s6n h THR 66 Ca -0.54 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1s6n h THR 66 Cb 1.49 0.97 -0.13 0.00 -1.74 0.00 0.00 68.15 68.75 1s6n h THR 66 CO -0.31 0.01 0.13 0.54 0.37 0.00 0.00 175.52 176.25 1s6n s VAL 67 N -6.19 0.02 -0.12 3.16 0.11 -1.26 -5.03 120.40 111.10 1s6n s VAL 67 Ca -0.13 -0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 1s6n s VAL 67 Cb 0.06 -1.04 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 1s6n s VAL 67 CO 0.66 -0.09 2.11 -3.20 -3.33 0.00 0.00 175.10 171.26 1s6n n ASN 68 N -0.28 3.59 -4.56 3.54 2.85 -1.26 -4.91 115.26 114.23 1s6n n ASN 68 Ca -0.17 0.52 -0.34 0.00 -0.11 0.00 0.00 54.58 54.47 1s6n n ASN 68 Cb 0.64 -1.53 -0.04 0.00 1.24 0.00 0.00 39.78 40.10 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 5.51 3.13 -0.01 1.20 0.04 -1.26 -4.93 135.00 138.69 1s6n s PRO 69 Ca 0.96 -0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.12 1s6n s PRO 69 Cb -0.41 -5.25 -0.00 0.00 0.04 0.00 0.00 34.50 28.88 1s6n s PRO 69 CO 0.39 -2.83 -0.05 -0.59 0.04 0.00 0.00 177.00 173.96 1s6n s PHE 70 N 7.44 0.45 -0.99 0.56 -0.71 -1.26 -2.88 117.98 120.59 1s6n s PHE 70 Ca 0.58 -0.08 -0.23 0.00 -1.04 0.00 0.00 56.93 56.15 1s6n s PHE 70 Cb -0.02 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.49 1s6n s PHE 70 CO -0.02 -0.01 1.74 0.08 -1.34 0.00 0.00 175.22 175.67 1s6n s VAL 71 N -0.07 3.67 -1.72 -2.49 1.01 0.12 -4.85 120.40 116.06 1s6n s VAL 71 Ca 0.01 -0.63 0.20 0.00 0.00 0.00 0.00 61.98 61.56 1s6n s VAL 71 Cb -0.02 -4.51 0.46 0.00 0.00 0.00 0.00 36.38 32.30 1s6n s VAL 71 CO -0.00 -1.39 1.60 -0.24 0.00 0.00 0.00 175.10 175.07 1s6n n SER 72 N 11.75 0.00 -3.64 3.32 2.88 -1.26 -2.23 113.62 124.44 1s6n n SER 72 Ca 0.38 -0.32 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 1s6n n SER 72 Cb 0.48 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 -2.28 0.01 0.37 2.46 -7.23 -1.26 -5.00 120.40 107.47 1s6n s VAL 73 Ca 0.24 -0.05 0.20 0.00 -1.81 0.00 0.00 61.98 60.57 1s6n s VAL 73 Cb 0.13 -0.86 0.20 0.00 0.56 0.00 0.00 36.38 36.42 1s6n s VAL 73 CO 0.26 -0.03 1.95 0.00 -0.31 0.00 0.00 175.10 176.98 1s6n h ALA 74 N 4.53 1.34 0.00 1.32 0.00 -1.87 -2.51 119.26 122.07 1s6n h ALA 74 Ca -0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s6n h ALA 74 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1s6n h ALA 74 CO 0.21 0.28 0.00 2.41 0.00 0.00 0.00 179.25 182.15 1s6n n THR 75 N -3.85 0.00 0.29 0.00 -1.04 -1.26 -4.15 114.28 104.27 1s6n n THR 75 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1s6n n THR 75 Cb 0.32 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.67 1.45 0.00 2.41 0.00 -0.95 -4.58 120.51 118.18 1s6n n ALA 76 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s6n n ALA 76 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.14 0.00 -4.59 0.00 4.13 -1.26 -4.54 115.26 109.13 1s6n n ASN 77 Ca 0.00 -0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.97 1s6n n ASN 77 Cb 0.04 -0.00 0.19 0.00 -1.54 0.00 0.00 39.78 38.47 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 -1.41 0.87 -0.35 5.41 0.00 -1.26 -4.59 121.76 120.43 1s6n s ALA 78 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1s6n s ALA 78 Cb 0.00 -3.09 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1s6n s ALA 78 CO 0.00 -2.96 0.06 0.21 0.00 0.00 0.00 175.76 173.07 1s6n s LYS 79 N -5.02 1.50 -0.07 0.00 2.36 -1.26 -1.21 119.74 116.05 1s6n s LYS 79 Ca 0.66 -1.90 0.01 0.00 -2.55 0.00 0.00 55.97 52.19 1s6n s LYS 79 Cb -0.18 -3.22 0.02 0.00 -1.05 0.00 0.00 37.83 33.40 1s6n s LYS 79 CO 0.57 -0.95 -0.08 0.54 1.55 0.00 0.00 175.35 176.99 1s6n s VAL 80 N 0.87 0.85 -0.25 4.02 0.11 0.49 -4.98 120.40 121.52 1s6n s VAL 80 Ca 0.11 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 1s6n s VAL 80 Cb -0.19 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1s6n s VAL 80 CO -0.08 0.31 0.11 -0.22 -3.33 0.00 0.00 175.10 171.88 1s6n s LEU 81 N 1.03 3.69 -0.07 2.54 1.98 -1.26 -1.49 118.68 125.10 1s6n s LEU 81 Ca -0.08 -0.09 0.03 0.00 -2.89 0.00 0.00 54.13 51.09 1s6n s LEU 81 Cb -0.14 -1.99 0.01 0.00 0.66 0.00 0.00 46.19 44.72 1s6n s LEU 81 CO -0.00 -0.00 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.66 1s6n s ILE 82 N 1.43 1.45 0.07 6.68 1.01 0.57 -4.91 121.20 127.49 1s6n s ILE 82 Ca 0.06 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 1s6n s ILE 82 Cb -0.15 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 1s6n s ILE 82 CO 0.05 0.42 0.98 -1.61 0.00 0.00 0.00 174.94 174.78 1s6n s GLU 83 N 0.49 4.64 0.24 2.79 2.02 -1.26 -0.72 118.70 126.90 1s6n s GLU 83 Ca -0.15 1.45 0.12 0.00 0.02 0.00 0.00 54.97 56.41 1s6n s GLU 83 Cb -0.16 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 1s6n s GLU 83 CO 0.05 0.11 -0.21 -0.51 0.02 0.00 0.00 175.26 174.72 1s6n s LEU 84 N 0.35 2.55 -0.41 1.80 1.02 0.12 -0.85 118.68 123.25 1s6n s LEU 84 Ca 0.49 -0.93 -0.22 0.00 0.02 0.00 0.00 54.13 53.49 1s6n s LEU 84 Cb -0.23 -1.17 0.02 0.00 0.02 0.00 0.00 46.19 44.83 1s6n s LEU 84 CO 0.29 0.08 0.72 -0.70 0.02 0.00 0.00 176.35 176.77 1s6n s GLU 85 N -3.10 3.51 -0.08 1.70 2.12 0.60 -0.59 118.70 122.86 1s6n s GLU 85 Ca 0.26 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 1s6n s GLU 85 Cb -0.07 -3.89 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 1s6n s GLU 85 CO 0.13 -0.96 1.08 -1.25 -0.54 0.00 0.00 175.26 173.71 1s6n s PRO 86 N 3.03 4.41 0.94 4.30 0.04 -1.26 -2.96 135.00 143.50 1s6n s PRO 86 Ca 0.27 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1s6n s PRO 86 Cb -0.13 -3.54 0.16 0.00 0.04 0.00 0.00 34.50 31.03 1s6n s PRO 86 CO 0.19 -0.34 1.09 -1.25 0.04 0.00 0.00 177.00 176.73 1s6n s PRO 87 N 2.00 0.86 0.64 0.56 0.04 -1.26 -4.94 135.00 132.90 1s6n s PRO 87 Ca 0.51 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 1s6n s PRO 87 Cb -0.21 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1s6n s PRO 87 CO 0.20 -2.55 1.08 -0.06 0.04 0.00 0.00 177.00 175.71 1s6n s PHE 88 N -2.80 2.80 0.00 0.56 0.40 -1.26 -4.34 117.98 113.35 1s6n s PHE 88 Ca 0.65 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.50 1s6n s PHE 88 Cb -0.20 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.25 1s6n s PHE 88 CO 0.58 -1.42 0.00 0.41 0.70 0.00 0.00 175.22 175.49 1s6n n GLY 89 N -0.85 2.18 3.47 4.36 0.00 0.66 -4.80 105.19 110.21 1s6n n GLY 89 Ca 0.09 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.64 -0.32 1.61 1.01 -1.26 -0.25 116.67 117.10 1s6n s ASP 90 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.39 1s6n s ASP 90 Cb 0.00 -0.36 0.14 0.00 1.01 0.00 0.00 42.92 43.71 1s6n s ASP 90 CO 0.00 0.09 0.30 -0.94 0.21 0.00 0.00 175.17 174.82 1s6n s SER 91 N -3.01 1.81 -0.11 0.27 1.04 -0.21 -4.23 113.70 109.25 1s6n s SER 91 Ca 0.25 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.35 1s6n s SER 91 Cb -0.07 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1s6n s SER 91 CO 0.13 -0.35 0.28 -0.31 0.98 0.00 0.00 173.24 173.97 1s6n s TYR 92 N 1.92 3.56 -0.57 5.02 2.02 0.78 -1.38 117.35 128.69 1s6n s TYR 92 Ca 0.13 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 1s6n s TYR 92 Cb -0.15 -2.23 0.15 0.00 -0.40 0.00 0.00 41.96 39.32 1s6n s TYR 92 CO -0.21 0.45 0.35 0.42 -1.57 0.00 0.00 175.55 175.00 1s6n s ILE 93 N -0.25 3.22 0.05 2.71 -1.09 0.61 -1.23 121.20 125.22 1s6n s ILE 93 Ca 0.18 -3.07 -0.19 0.00 -2.23 0.00 0.00 60.65 55.34 1s6n s ILE 93 Cb -0.14 -3.15 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 1s6n s ILE 93 CO 0.06 -0.83 0.56 -0.69 -1.23 0.00 0.00 174.94 172.81 1s6n s VAL 94 N -0.10 4.79 -0.39 2.92 1.01 -1.10 -0.46 120.40 127.06 1s6n s VAL 94 Ca 0.17 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1s6n s VAL 94 Cb -0.22 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.40 1s6n s VAL 94 CO -0.02 0.53 0.21 -0.69 0.00 0.00 0.00 175.10 175.13 1s6n s VAL 95 N -0.94 0.90 0.00 2.92 1.01 0.29 -0.62 120.40 123.96 1s6n s VAL 95 Ca 0.29 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1s6n s VAL 95 Cb -0.19 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1s6n s VAL 95 CO 0.18 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1s6n n GLY 96 N 3.87 2.06 3.04 4.51 0.00 0.78 -0.26 105.19 119.18 1s6n n GLY 96 Ca 0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1s6n n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s6n s ARG 97 N -2.00 0.34 0.12 1.61 1.04 -0.21 -4.75 118.95 115.10 1s6n s ARG 97 Ca 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 55.73 54.36 1s6n s ARG 97 Cb 0.00 0.14 0.00 0.00 -2.04 0.00 0.00 34.95 33.05 1s6n s ARG 97 CO 0.00 -0.07 0.00 0.41 -0.04 0.00 0.00 175.30 175.60 1s6n n GLY 98 N 1.88 0.63 0.10 3.88 0.00 -1.26 -0.58 105.19 109.84 1s6n n GLY 98 Ca -0.21 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.42 1.61 9.09 -2.02 -3.42 114.58 116.41 1s6n h GLU 99 Ca 0.00 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.68 1s6n h GLU 99 Cb 0.00 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 26.77 1s6n h GLU 99 CO 0.00 0.49 0.01 1.14 0.05 0.00 0.00 179.01 180.70 1s6n s GLN 100 N -2.86 3.44 0.02 1.06 -2.07 0.25 -5.04 119.66 114.46 1s6n s GLN 100 Ca -0.00 -3.15 0.01 0.00 -1.82 0.00 0.00 55.36 50.39 1s6n s GLN 100 Cb 0.08 -4.10 -0.02 0.00 -1.09 0.00 0.00 33.01 27.89 1s6n s GLN 100 CO 0.79 -1.25 -0.04 1.14 -1.32 0.00 0.00 175.29 174.61 1s6n s GLN 101 N -1.12 0.33 0.08 9.60 1.03 -1.26 -1.05 119.66 127.27 1s6n s GLN 101 Ca 0.27 -0.54 -0.04 0.00 0.04 0.00 0.00 55.36 55.08 1s6n s GLN 101 Cb -0.09 -0.03 -0.02 0.00 0.03 0.00 0.00 33.01 32.89 1s6n s GLN 101 CO -0.10 -0.01 0.08 0.42 -2.54 0.00 0.00 175.29 173.14 1s6n s ILE 102 N -1.17 0.16 -0.05 3.63 1.01 0.64 -4.96 121.20 120.47 1s6n s ILE 102 Ca -0.11 -1.59 -0.15 0.00 0.00 0.00 0.00 60.65 58.79 1s6n s ILE 102 Cb -0.08 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1s6n s ILE 102 CO -0.00 -0.74 0.35 0.54 0.00 0.00 0.00 174.94 175.08 1s6n s ASN 103 N -2.93 -0.27 0.31 3.58 4.22 -1.26 -0.55 114.94 118.05 1s6n s ASN 103 Ca 0.10 0.28 0.10 0.00 -2.14 0.00 0.00 52.86 51.20 1s6n s ASN 103 Cb 0.06 0.43 -0.05 0.00 1.28 0.00 0.00 41.25 42.97 1s6n s ASN 103 CO -0.08 -0.38 -0.09 -1.00 -2.04 0.00 0.00 177.10 173.51 1s6n s HIS 104 N -0.95 2.44 -0.05 1.54 3.76 0.39 -4.97 115.29 117.45 1s6n s HIS 104 Ca -0.10 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1s6n s HIS 104 Cb -0.04 -1.27 0.02 0.00 1.11 0.00 0.00 32.58 32.40 1s6n s HIS 104 CO 0.04 0.60 -0.08 -1.01 -0.85 0.00 0.00 174.74 173.44 1s6n s HIS 105 N -2.52 1.04 0.17 1.40 3.76 -1.26 -0.28 115.29 117.60 1s6n s HIS 105 Ca 0.32 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1s6n s HIS 105 Cb -0.02 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 1s6n s HIS 105 CO 0.17 -0.23 0.06 -0.46 -0.85 0.00 0.00 174.74 173.43 1s6n s TRP 106 N 0.83 1.10 -0.05 1.40 -0.00 -0.48 -4.91 118.94 116.83 1s6n s TRP 106 Ca -0.12 -1.20 -0.02 0.00 -0.00 0.00 0.00 56.10 54.76 1s6n s TRP 106 Cb -0.15 -0.61 0.04 0.00 -0.00 0.00 0.00 33.47 32.75 1s6n s TRP 106 CO 0.01 -0.43 0.09 -1.01 -0.00 0.00 0.00 176.95 175.61 1s6n s HIS 107 N -3.92 -0.04 -0.29 5.86 3.76 -1.26 -1.04 115.29 118.35 1s6n s HIS 107 Ca 0.29 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 1s6n s HIS 107 Cb 0.07 -0.32 0.14 0.00 1.11 0.00 0.00 32.58 33.59 1s6n s HIS 107 CO 0.06 -0.18 0.32 0.21 -0.85 0.00 0.00 174.74 174.29 1s6n s LYS 108 N 1.82 0.35 -1.04 1.40 2.20 0.65 -4.92 119.74 120.20 1s6n s LYS 108 Ca -0.01 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.46 1s6n s LYS 108 Cb -0.12 -0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1s6n s LYS 108 CO -0.04 -1.04 0.88 0.43 -0.36 0.00 0.00 175.35 175.22 1s6n n SER 109 N 5.28 -3.84 0.00 1.43 7.64 -0.55 -0.25 113.62 123.33 1s6n n SER 109 Ca -0.01 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1s6n n SER 109 Cb 0.47 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 1s6n n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6n n GLY 110 N -1.18 0.78 3.38 0.23 0.00 0.42 -3.96 105.19 104.86 1s6n n GLY 110 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1s6n n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6n n SER 111 N 0.00 -2.00 0.28 1.61 2.88 0.47 -4.53 113.62 112.33 1s6n n SER 111 Ca 0.00 -0.08 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1s6n n SER 111 Cb 0.00 -1.11 0.61 0.00 -0.75 0.00 0.00 64.21 62.96 1s6n n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1s6n h SER 112 N -2.26 0.00 -0.02 -3.46 0.02 -1.89 0.14 113.55 106.08 1s6n h SER 112 Ca -0.55 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1s6n h SER 112 Cb 1.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1s6n h SER 112 CO 0.42 0.00 -0.22 0.00 -1.14 0.00 0.00 176.83 175.89 1s6n n ILE 113 N -2.91 2.06 0.00 3.27 0.13 -1.26 -5.02 119.36 115.62 1s6n n ILE 113 Ca 0.01 -2.70 0.00 0.00 -1.10 0.00 0.00 62.75 58.96 1s6n n ILE 113 Cb 0.60 -0.24 0.00 0.00 -0.84 0.00 0.00 39.64 39.15 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 -1.27 1.80 0.00 4.50 0.00 0.50 -5.06 105.19 105.66 1s6n n GLY 114 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1s6n n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49