#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6x n THR 7 N 0.00 0.00 -3.95 1.69 -2.24 -1.26 -5.12 114.28 103.40 1i6x n THR 7 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1i6x n THR 7 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1i6x n THR 7 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i6x s ASP 8 N -0.83 -0.12 0.12 3.42 1.47 -1.26 -5.06 116.67 114.40 1i6x s ASP 8 Ca 0.00 -0.84 -0.30 0.00 1.18 0.00 0.00 52.55 52.59 1i6x s ASP 8 Cb 0.00 0.59 -0.09 0.00 -0.34 0.00 0.00 42.92 43.08 1i6x s ASP 8 CO 0.00 -1.14 1.59 -0.65 0.68 0.00 0.00 175.17 175.66 1i6x h PRO 9 N 2.24 -0.59 -0.23 2.11 0.11 -2.03 0.70 132.00 134.31 1i6x h PRO 9 Ca -0.26 0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.95 1i6x h PRO 9 Cb 1.25 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.42 1i6x h PRO 9 CO 0.35 -0.39 -0.36 1.15 -0.21 0.00 0.00 178.00 178.53 1i6x h THR 10 N -0.61 0.21 -0.45 -1.15 2.02 -1.98 1.16 112.91 112.11 1i6x h THR 10 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1i6x h THR 10 Cb 0.65 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1i6x h THR 10 CO -0.25 0.00 0.09 0.25 0.37 0.00 0.00 175.52 175.98 1i6x h LEU 11 N -0.38 0.00 -1.08 2.58 6.46 -1.93 0.19 115.31 121.16 1i6x h LEU 11 Ca 0.11 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1i6x h LEU 11 Cb 0.57 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1i6x h LEU 11 CO -0.44 0.04 -0.04 -0.33 -0.62 0.00 0.00 178.44 177.04 1i6x h GLU 12 N 0.22 0.60 0.20 1.25 4.39 0.42 0.72 114.58 122.37 1i6x h GLU 12 Ca 0.22 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1i6x h GLU 12 Cb 0.28 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1i6x h GLU 12 CO -0.29 0.66 -0.11 2.35 -1.16 0.00 0.00 179.01 180.46 1i6x h TRP 13 N 0.57 -0.29 -0.15 4.33 7.01 0.30 -0.72 115.95 126.99 1i6x h TRP 13 Ca 0.11 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1i6x h TRP 13 Cb 0.43 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 1i6x h TRP 13 CO 0.02 -0.18 -0.15 0.35 -2.79 0.00 0.00 178.44 175.69 1i6x h PHE 14 N -0.29 -0.38 -0.75 2.65 3.04 -0.10 -2.43 116.94 118.67 1i6x h PHE 14 Ca -0.02 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.05 1i6x h PHE 14 Cb 0.24 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 1i6x h PHE 14 CO -0.08 -0.22 0.49 -0.07 -2.02 0.00 0.00 178.31 176.41 1i6x h LEU 15 N -0.18 0.60 0.00 0.59 3.38 -0.59 -1.00 115.31 118.10 1i6x h LEU 15 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1i6x h LEU 15 Cb 0.32 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i6x h LEU 15 CO -0.26 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.09 1i6x n SER 16 N -4.49 0.00 -0.50 -0.43 3.41 -0.30 -0.90 113.62 110.40 1i6x n SER 16 Ca 0.12 0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.89 1i6x n SER 16 Cb 0.33 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1i6x n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1i6x n HIS 17 N -1.23 0.00 -3.82 7.33 8.25 -0.38 -5.01 115.22 120.37 1i6x n HIS 17 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 1i6x n HIS 17 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1i6x n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i6x s HIS 19 N -2.55 2.86 -0.25 0.00 3.76 -0.93 -4.89 115.29 113.29 1i6x s HIS 19 Ca 0.44 -0.74 -0.15 0.00 -0.15 0.00 0.00 55.06 54.46 1i6x s HIS 19 Cb -0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1i6x s HIS 19 CO 0.25 -0.31 0.37 0.42 -0.85 0.00 0.00 174.74 174.62 1i6x s ILE 20 N 0.67 5.19 0.06 0.60 1.01 -1.26 -2.16 121.20 125.30 1i6x s ILE 20 Ca -0.06 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.27 1i6x s ILE 20 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1i6x s ILE 20 CO 0.02 0.19 -0.24 -1.00 0.00 0.00 0.00 174.94 173.91 1i6x s HIS 21 N 1.81 2.38 0.17 3.97 3.76 -0.71 -4.92 115.29 121.74 1i6x s HIS 21 Ca 0.16 -0.37 -0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1i6x s HIS 21 Cb -0.15 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.09 1i6x s HIS 21 CO 0.09 0.19 0.43 0.15 -0.85 0.00 0.00 174.74 174.75 1i6x s LYS 22 N -1.41 3.69 -0.08 1.40 1.02 -1.26 -1.39 119.74 121.71 1i6x s LYS 22 Ca 0.13 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 1i6x s LYS 22 Cb -0.10 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1i6x s LYS 22 CO 0.03 0.42 0.07 0.71 -0.92 0.00 0.00 175.35 175.67 1i6x s TYR 23 N -1.69 0.11 0.83 3.18 2.02 0.12 -4.98 117.35 116.94 1i6x s TYR 23 Ca 0.43 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.10 1i6x s TYR 23 Cb -0.12 -0.55 0.10 0.00 -0.40 0.00 0.00 41.96 40.99 1i6x s TYR 23 CO 0.23 -0.29 1.15 -1.25 -1.57 0.00 0.00 175.55 173.82 1i6x s PRO 24 N 2.16 1.61 0.24 -1.71 0.04 -1.26 -0.33 135.00 135.75 1i6x s PRO 24 Ca 0.04 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 1i6x s PRO 24 Cb -0.13 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1i6x s PRO 24 CO -0.05 -2.18 1.42 0.45 0.04 0.00 0.00 177.00 176.68 1i6x n SER 25 N -3.67 2.82 0.00 6.66 2.88 -1.25 -1.82 113.62 119.24 1i6x n SER 25 Ca 0.12 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1i6x n SER 25 Cb 0.52 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1i6x n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i6x n LYS 26 N 2.05 0.00 -2.73 -1.46 4.76 0.28 -4.96 118.16 116.10 1i6x n LYS 26 Ca 0.11 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.23 1i6x n LYS 26 Cb 0.32 -2.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.12 1i6x n LYS 26 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1i6x s SER 27 N -3.16 6.74 -0.16 4.39 1.04 -0.76 -4.68 113.70 117.11 1i6x s SER 27 Ca 0.00 1.50 -0.19 0.00 0.48 0.00 0.00 55.95 57.74 1i6x s SER 27 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1i6x s SER 27 CO 0.00 -0.42 0.55 -0.89 0.98 0.00 0.00 173.24 173.46 1i6x s THR 28 N -2.33 5.11 -0.09 2.02 2.01 -1.26 -0.37 115.64 120.72 1i6x s THR 28 Ca 0.58 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.60 1i6x s THR 28 Cb -0.10 -3.87 -0.26 0.00 0.01 0.00 0.00 72.50 68.28 1i6x s THR 28 CO 0.23 0.21 0.47 -0.07 -0.69 0.00 0.00 174.62 174.76 1i6x h LEU 29 N 7.55 0.36 -7.71 4.42 4.07 -1.13 -3.47 115.31 119.39 1i6x h LEU 29 Ca -0.36 -0.76 -0.39 0.00 0.08 0.00 0.00 57.88 56.45 1i6x h LEU 29 Cb 1.16 -0.12 -0.34 0.00 1.08 0.00 0.00 40.66 42.45 1i6x h LEU 29 CO 0.75 1.68 -0.77 -0.63 -1.08 0.00 0.00 178.44 178.40 1i6x s ILE 30 N -2.57 0.44 -0.20 1.22 1.01 -0.92 -4.98 121.20 115.20 1i6x s ILE 30 Ca -0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 1i6x s ILE 30 Cb 0.07 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1i6x s ILE 30 CO 0.79 0.20 0.08 -1.00 0.00 0.00 0.00 174.94 175.01 1i6x s HIS 31 N 0.91 3.26 0.33 3.97 3.76 -1.26 -1.09 115.29 125.17 1i6x s HIS 31 Ca -0.11 0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.58 1i6x s HIS 31 Cb -0.14 -2.12 -0.12 0.00 1.11 0.00 0.00 32.58 31.31 1i6x s HIS 31 CO -0.00 0.11 1.42 0.94 -0.85 0.00 0.00 174.74 176.36 1i6x n GLN 32 N 3.75 2.40 0.00 1.40 7.27 -1.17 -2.16 117.38 128.87 1i6x n GLN 32 Ca -0.16 0.85 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1i6x n GLN 32 Cb 0.52 -2.52 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1i6x n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i6x n GLY 33 N 1.06 3.18 3.70 1.69 0.00 -0.83 -4.94 105.19 109.06 1i6x n GLY 33 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1i6x n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i6x s GLU 34 N -0.36 1.75 0.18 1.61 2.02 -0.92 -4.56 118.70 118.42 1i6x s GLU 34 Ca 0.00 1.77 -0.31 0.00 0.02 0.00 0.00 54.97 56.45 1i6x s GLU 34 Cb 0.00 -1.79 -0.09 0.00 0.10 0.00 0.00 34.13 32.35 1i6x s GLU 34 CO 0.00 -2.13 1.38 0.15 0.02 0.00 0.00 175.26 174.68 1i6x s LYS 35 N -4.08 4.33 -0.52 1.61 1.02 -1.26 -1.35 119.74 119.48 1i6x s LYS 35 Ca 0.74 2.13 -0.25 0.00 0.02 0.00 0.00 55.97 58.61 1i6x s LYS 35 Cb -0.29 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1i6x s LYS 35 CO 0.49 -0.37 0.94 0.00 -0.92 0.00 0.00 175.35 175.49 1i6x s ALA 36 N 0.46 3.18 0.00 5.17 0.00 0.55 -4.75 121.76 126.37 1i6x s ALA 36 Ca 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1i6x s ALA 36 Cb -0.38 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1i6x s ALA 36 CO 0.36 -2.28 0.21 0.39 0.00 0.00 0.00 175.76 174.44 1i6x n GLU 37 N 7.38 0.00 -4.07 0.00 1.02 -1.26 -4.62 120.64 119.10 1i6x n GLU 37 Ca 0.03 -0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 56.83 1i6x n GLU 37 Cb 0.48 -0.49 -0.13 0.00 -0.02 0.00 0.00 31.44 31.28 1i6x n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1i6x s THR 38 N 0.00 0.40 0.01 2.62 2.01 -1.26 -1.76 115.64 117.65 1i6x s THR 38 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1i6x s THR 38 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1i6x s THR 38 CO 0.00 -0.21 0.04 -0.22 -0.69 0.00 0.00 174.62 173.55 1i6x s LEU 39 N -0.97 3.70 0.19 4.42 2.96 0.33 -4.69 118.68 124.62 1i6x s LEU 39 Ca -0.06 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1i6x s LEU 39 Cb -0.07 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1i6x s LEU 39 CO 0.00 0.27 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.81 1i6x s TYR 40 N -1.16 1.84 -0.10 5.38 2.02 0.10 -1.84 117.35 123.59 1i6x s TYR 40 Ca 0.22 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1i6x s TYR 40 Cb -0.12 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1i6x s TYR 40 CO 0.13 0.39 0.20 -0.47 -1.57 0.00 0.00 175.55 174.23 1i6x s TYR 41 N -2.39 -0.28 -0.46 2.71 5.04 0.35 -0.90 117.35 121.43 1i6x s TYR 41 Ca 0.20 0.74 -0.28 0.00 -2.44 0.00 0.00 57.07 55.28 1i6x s TYR 41 Cb -0.04 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.18 1i6x s TYR 41 CO 0.08 -0.28 1.07 0.42 -1.34 0.00 0.00 175.55 175.49 1i6x s ILE 42 N 2.04 4.32 -0.02 3.14 1.01 -0.76 0.32 121.20 131.24 1i6x s ILE 42 Ca -0.01 1.13 0.12 0.00 0.00 0.00 0.00 60.65 61.89 1i6x s ILE 42 Cb -0.12 -4.53 -0.21 0.00 0.01 0.00 0.00 42.46 37.61 1i6x s ILE 42 CO -0.07 -0.91 0.84 -0.37 0.00 0.00 0.00 174.94 174.44 1i6x h VAL 43 N 6.14 1.02 -2.60 2.92 -1.51 -1.49 0.47 116.25 121.20 1i6x h VAL 43 Ca -0.23 -2.79 -0.10 0.00 -1.23 0.00 0.00 66.70 62.35 1i6x h VAL 43 Cb 1.07 2.48 -0.22 0.00 -2.13 0.00 0.00 31.29 32.49 1i6x h VAL 43 CO 1.09 0.58 -0.13 -0.75 -1.23 0.00 0.00 177.57 177.13 1i6x s LYS 44 N -2.66 0.67 0.19 5.19 2.20 -0.90 -4.72 119.74 119.72 1i6x s LYS 44 Ca -0.03 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1i6x s LYS 44 Cb 0.08 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1i6x s LYS 44 CO 0.82 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 1i6x n GLY 45 N 2.12 -1.77 3.24 5.54 0.00 -1.26 -1.67 105.19 111.40 1i6x n GLY 45 Ca -0.16 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1i6x n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i6x s SER 46 N -4.00 0.01 0.16 1.61 1.04 -1.26 -2.21 113.70 109.05 1i6x s SER 46 Ca 0.00 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1i6x s SER 46 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1i6x s SER 46 CO 0.00 -0.77 0.08 0.68 0.98 0.00 0.00 173.24 174.21 1i6x s VAL 47 N -3.84 0.12 0.05 5.02 -7.23 -0.16 -0.83 120.40 113.54 1i6x s VAL 47 Ca 0.04 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1i6x s VAL 47 Cb 0.04 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1i6x s VAL 47 CO -0.11 -0.31 -0.22 0.00 -0.31 0.00 0.00 175.10 174.15 1i6x s ALA 48 N -4.05 2.44 -0.20 1.32 0.00 -0.03 -1.06 121.76 120.18 1i6x s ALA 48 Ca 0.29 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1i6x s ALA 48 Cb 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1i6x s ALA 48 CO 0.05 0.55 -0.05 0.08 0.00 0.00 0.00 175.76 176.40 1i6x s VAL 49 N -0.89 3.42 0.11 0.00 1.01 0.65 -1.06 120.40 123.64 1i6x s VAL 49 Ca 0.13 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1i6x s VAL 49 Cb -0.10 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1i6x s VAL 49 CO 0.04 0.44 -0.12 -0.76 0.00 0.00 0.00 175.10 174.71 1i6x s LEU 50 N 1.20 2.40 0.13 3.92 1.02 0.11 0.02 118.68 127.49 1i6x s LEU 50 Ca 0.02 -0.81 0.07 0.00 0.02 0.00 0.00 54.13 53.43 1i6x s LEU 50 Cb -0.14 -0.40 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 1i6x s LEU 50 CO -0.01 -0.21 -0.16 0.27 0.02 0.00 0.00 176.35 176.26 1i6x s ILE 51 N -2.31 1.49 0.06 -0.59 -4.36 -0.56 -0.44 121.20 114.48 1i6x s ILE 51 Ca 0.07 -1.77 0.08 0.00 -0.26 0.00 0.00 60.65 58.76 1i6x s ILE 51 Cb -0.04 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 1i6x s ILE 51 CO 0.01 -0.37 -0.21 -0.54 0.24 0.00 0.00 174.94 174.07 1i6x s LYS 52 N -2.69 1.35 -0.09 0.37 1.02 -1.26 -1.49 119.74 116.95 1i6x s LYS 52 Ca 0.11 -1.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 1i6x s LYS 52 Cb -0.05 -1.50 0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1i6x s LYS 52 CO 0.04 0.38 0.06 -1.01 -0.92 0.00 0.00 175.35 173.90 1i6x s HIS 53 N -0.88 0.18 0.13 3.18 3.76 -1.26 -4.98 115.29 115.42 1i6x s HIS 53 Ca 0.07 0.01 -0.23 0.00 -0.15 0.00 0.00 55.06 54.77 1i6x s HIS 53 Cb -0.09 -0.59 -0.14 0.00 1.11 0.00 0.00 32.58 32.88 1i6x s HIS 53 CO 0.02 -0.31 0.47 0.39 -0.85 0.00 0.00 174.74 174.46 1i6x n GLU 54 N 5.27 0.00 -1.99 1.40 4.71 -1.26 -2.40 120.64 126.37 1i6x n GLU 54 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1i6x n GLU 54 Cb 0.50 -0.84 0.00 0.00 -1.01 0.00 0.00 31.44 30.09 1i6x n GLU 54 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1i6x n GLU 55 N 0.84 -5.37 0.00 3.49 -0.00 -1.26 -4.60 120.64 113.74 1i6x n GLU 55 Ca 0.14 3.82 0.00 0.00 -0.00 0.00 0.00 57.16 61.13 1i6x n GLU 55 Cb 0.17 -4.09 0.00 0.00 -0.00 0.00 0.00 31.44 27.52 1i6x n GLU 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i6x n GLY 56 N 1.74 2.87 7.00 -1.84 0.00 -1.26 -5.01 105.19 108.69 1i6x n GLY 56 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1i6x n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i6x n LYS 57 N 0.00 0.00 -0.42 1.61 4.81 -1.01 -4.98 118.16 118.17 1i6x n LYS 57 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1i6x n LYS 57 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1i6x n LYS 57 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1i6x n GLU 58 N -0.49 0.00 -3.84 1.64 1.02 -1.26 -4.35 120.64 113.36 1i6x n GLU 58 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1i6x n GLU 58 Cb 0.00 -0.33 -0.14 0.00 -0.02 0.00 0.00 31.44 30.95 1i6x n GLU 58 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1i6x s MET 59 N -0.22 0.06 -0.44 3.49 -2.45 -0.56 -4.78 119.30 114.40 1i6x s MET 59 Ca 0.21 0.11 -0.21 0.00 -1.25 0.00 0.00 55.69 54.55 1i6x s MET 59 Cb -0.30 -0.01 0.02 0.00 1.25 0.00 0.00 34.83 35.80 1i6x s MET 59 CO 0.17 -0.03 0.65 0.42 1.05 0.00 0.00 175.02 177.27 1i6x s ILE 60 N 0.20 4.82 0.16 10.11 1.01 -0.30 -1.50 121.20 135.70 1i6x s ILE 60 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1i6x s ILE 60 Cb -0.02 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 1i6x s ILE 60 CO -0.01 -0.61 1.40 -0.07 0.00 0.00 0.00 174.94 175.65 1i6x h LEU 61 N 9.73 0.52 -7.05 2.97 3.38 -0.74 -3.42 115.31 120.70 1i6x h LEU 61 Ca -0.25 -0.36 0.31 0.00 0.09 0.00 0.00 57.88 57.68 1i6x h LEU 61 Cb 1.09 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1i6x h LEU 61 CO 0.90 1.11 0.89 -0.55 0.09 0.00 0.00 178.44 180.88 1i6x s SER 62 N -7.00 -0.06 0.02 -0.43 0.15 -1.18 -4.99 113.70 100.20 1i6x s SER 62 Ca -0.06 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1i6x s SER 62 Cb 0.10 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1i6x s SER 62 CO 0.85 -0.15 -0.03 -0.31 1.20 0.00 0.00 173.24 174.80 1i6x s TYR 63 N -2.25 2.97 0.06 3.44 2.02 -1.26 -0.25 117.35 122.08 1i6x s TYR 63 Ca 0.12 0.01 0.05 0.00 -0.37 0.00 0.00 57.07 56.88 1i6x s TYR 63 Cb 0.02 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1i6x s TYR 63 CO -0.04 0.42 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.72 1i6x s LEU 64 N -1.61 2.26 0.00 -1.29 1.43 -0.23 -4.97 118.68 114.27 1i6x s LEU 64 Ca 0.19 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1i6x s LEU 64 Cb -0.11 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1i6x s LEU 64 CO 0.10 -0.07 0.11 0.59 0.23 0.00 0.00 176.35 177.32 1i6x n ASN 65 N 1.41 0.88 -4.54 2.29 4.13 -1.26 -0.99 115.26 117.19 1i6x n ASN 65 Ca -0.21 -2.46 -0.51 0.00 1.68 0.00 0.00 54.58 53.08 1i6x n ASN 65 Cb 0.54 0.76 -0.05 0.00 -1.54 0.00 0.00 39.78 39.50 1i6x n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i6x n GLN 66 N -0.59 0.78 0.00 3.52 6.02 -0.94 -0.66 117.38 125.50 1i6x n GLN 66 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1i6x n GLN 66 Cb 0.41 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1i6x n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i6x n GLY 67 N 1.95 1.03 3.80 1.08 0.00 0.17 -5.01 105.19 108.20 1i6x n GLY 67 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1i6x n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6x s ASP 68 N -2.65 7.03 0.44 1.61 1.01 0.16 -4.86 116.67 119.41 1i6x s ASP 68 Ca 0.00 1.22 -0.15 0.00 0.71 0.00 0.00 52.55 54.33 1i6x s ASP 68 Cb 0.00 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 1i6x s ASP 68 CO 0.00 0.24 0.88 -0.36 0.21 0.00 0.00 175.17 176.13 1i6x s PHE 69 N -0.89 3.43 0.02 4.23 0.08 -1.26 -1.83 117.98 121.77 1i6x s PHE 69 Ca 0.29 1.31 -0.05 0.00 0.12 0.00 0.00 56.93 58.60 1i6x s PHE 69 Cb -0.19 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1i6x s PHE 69 CO 0.18 -0.19 0.09 0.42 -0.10 0.00 0.00 175.22 175.62 1i6x s ILE 70 N -2.40 0.11 -0.82 0.64 1.01 -0.07 -4.89 121.20 114.78 1i6x s ILE 70 Ca 0.56 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1i6x s ILE 70 Cb -0.10 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1i6x s ILE 70 CO 0.27 -0.51 0.04 0.61 0.00 0.00 0.00 174.94 175.36 1i6x n GLY 71 N 1.15 -0.01 0.04 6.18 0.00 -1.26 0.00 105.19 111.29 1i6x n GLY 71 Ca -0.21 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1i6x n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i6x n GLU 72 N -1.99 0.37 0.32 1.61 0.00 -1.26 -4.35 120.64 115.33 1i6x n GLU 72 Ca -0.11 -0.01 0.21 0.00 0.00 0.00 0.00 57.16 57.25 1i6x n GLU 72 Cb 0.58 -1.62 1.04 0.00 0.00 0.00 0.00 31.44 31.45 1i6x n GLU 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1i6x h LEU 73 N 0.00 0.00 -2.03 -1.84 3.38 -1.95 -2.20 115.31 110.66 1i6x h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i6x h LEU 73 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1i6x h LEU 73 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1i6x n GLY 74 N -0.76 1.18 0.35 0.83 0.00 -1.26 -4.56 105.19 100.97 1i6x n GLY 74 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1i6x n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i6x h LEU 75 N 4.62 0.81 -0.56 0.99 5.85 -1.66 -3.10 115.31 122.26 1i6x h LEU 75 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1i6x h LEU 75 Cb 0.99 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1i6x h LEU 75 CO 0.00 0.57 -0.01 0.49 -0.34 0.00 0.00 178.44 179.15 1i6x n PHE 76 N -4.44 0.00 -3.62 1.25 3.72 -1.26 -4.76 117.46 108.35 1i6x n PHE 76 Ca 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1i6x n PHE 76 Cb 0.08 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 1i6x n PHE 76 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1i6x s GLU 77 N -2.03 0.50 0.83 -1.08 2.12 -1.17 -5.16 118.70 112.70 1i6x s GLU 77 Ca 0.41 1.29 -0.11 0.00 0.36 0.00 0.00 54.97 56.92 1i6x s GLU 77 Cb 0.21 0.68 0.09 0.00 0.26 0.00 0.00 34.13 35.37 1i6x s GLU 77 CO 0.36 -0.24 1.15 -1.21 -0.54 0.00 0.00 175.26 174.77 1i6x s GLU 78 N 2.81 1.64 -0.26 4.30 2.02 -1.26 -3.96 118.70 123.99 1i6x s GLU 78 Ca -0.03 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1i6x s GLU 78 Cb -0.12 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1i6x s GLU 78 CO -0.17 -2.16 0.00 0.41 0.02 0.00 0.00 175.26 173.36 1i6x n GLY 79 N -0.12 0.57 3.97 -1.39 0.00 -1.26 -5.05 105.19 101.91 1i6x n GLY 79 Ca 0.11 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1i6x n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6x s GLN 80 N -2.18 3.31 0.05 1.61 -0.21 -1.25 -4.96 119.66 116.03 1i6x s GLN 80 Ca 0.00 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1i6x s GLN 80 Cb 0.00 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1i6x s GLN 80 CO 0.00 0.24 0.12 -1.21 -2.12 0.00 0.00 175.29 172.32 1i6x s GLU 81 N -4.10 3.10 0.15 2.91 2.02 -1.26 -0.33 118.70 121.18 1i6x s GLU 81 Ca 0.39 -0.56 -0.33 0.00 0.02 0.00 0.00 54.97 54.50 1i6x s GLU 81 Cb -0.09 -2.86 -0.13 0.00 0.10 0.00 0.00 34.13 31.15 1i6x s GLU 81 CO 0.31 0.60 1.69 0.54 0.02 0.00 0.00 175.26 178.42 1i6x n ARG 82 N 0.61 2.45 -0.07 1.61 5.12 -0.46 -4.82 116.66 121.11 1i6x n ARG 82 Ca -0.09 0.89 0.08 0.00 -1.93 0.00 0.00 57.85 56.80 1i6x n ARG 82 Cb 0.52 -2.71 0.35 0.00 -1.16 0.00 0.00 32.46 29.46 1i6x n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1i6x n SER 83 N 4.21 1.13 -3.70 0.55 3.41 -1.26 -1.96 113.62 116.00 1i6x n SER 83 Ca 0.17 -1.71 -0.03 0.00 -0.26 0.00 0.00 58.87 57.05 1i6x n SER 83 Cb 0.32 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1i6x n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i6x s ALA 84 N -1.82 -1.70 -0.14 7.33 0.00 -1.26 -4.94 121.76 119.22 1i6x s ALA 84 Ca 0.27 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1i6x s ALA 84 Cb 0.14 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1i6x s ALA 84 CO 0.21 -1.05 0.22 -1.58 0.00 0.00 0.00 175.76 173.56 1i6x s TRP 85 N -3.08 3.52 -0.18 0.00 0.51 0.41 -3.02 118.94 117.11 1i6x s TRP 85 Ca 0.13 0.55 0.01 0.00 -2.12 0.00 0.00 56.10 54.68 1i6x s TRP 85 Cb -0.01 -2.16 0.03 0.00 -0.81 0.00 0.00 33.47 30.52 1i6x s TRP 85 CO 0.02 0.46 -0.16 0.08 -0.51 0.00 0.00 176.95 176.84 1i6x s VAL 86 N -0.21 1.86 0.03 4.03 1.01 -0.25 0.10 120.40 126.97 1i6x s VAL 86 Ca 0.15 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1i6x s VAL 86 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1i6x s VAL 86 CO 0.03 0.38 -0.24 -0.60 0.00 0.00 0.00 175.10 174.68 1i6x s ARG 87 N 1.34 1.67 0.23 2.72 3.52 -0.22 -0.47 118.95 127.74 1i6x s ARG 87 Ca 0.02 -0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 54.34 1i6x s ARG 87 Cb -0.14 -1.77 -0.10 0.00 -1.56 0.00 0.00 34.95 31.38 1i6x s ARG 87 CO -0.11 0.46 1.41 0.00 -0.81 0.00 0.00 175.30 176.26 1i6x s ALA 88 N -0.74 3.61 -0.57 6.12 0.00 0.50 -0.85 121.76 129.83 1i6x s ALA 88 Ca 0.10 1.27 0.21 0.00 0.00 0.00 0.00 51.96 53.54 1i6x s ALA 88 Cb -0.09 -3.54 -0.28 0.00 0.00 0.00 0.00 23.12 19.21 1i6x s ALA 88 CO 0.01 -0.69 0.71 1.17 0.00 0.00 0.00 175.76 176.96 1i6x n LYS 89 N 2.48 0.30 -3.98 0.00 4.81 -0.01 -0.55 118.16 121.20 1i6x n LYS 89 Ca 0.07 -0.09 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1i6x n LYS 89 Cb 0.41 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.94 1i6x n LYS 89 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1i6x s THR 90 N -3.23 0.00 0.28 3.15 -4.23 -1.22 -4.73 115.64 105.66 1i6x s THR 90 Ca 0.01 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 1i6x s THR 90 Cb 0.15 -2.77 -0.11 0.00 1.34 0.00 0.00 72.50 71.11 1i6x s THR 90 CO 0.89 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 176.59 1i6x s ALA 91 N -2.67 3.78 0.10 3.99 0.00 -1.26 -3.85 121.76 121.84 1i6x s ALA 91 Ca 0.25 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.86 1i6x s ALA 91 Cb -0.02 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1i6x s ALA 91 CO 0.17 -0.98 -0.18 0.00 0.00 0.00 0.00 175.76 174.77 1i6x s GLU 93 N -1.92 2.06 -0.01 0.00 2.02 -0.67 0.15 118.70 120.32 1i6x s GLU 93 Ca 0.04 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1i6x s GLU 93 Cb -0.10 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.12 1i6x s GLU 93 CO 0.04 -0.27 -0.02 0.54 0.02 0.00 0.00 175.26 175.57 1i6x s VAL 94 N 1.53 0.21 0.36 2.63 0.11 -0.48 -1.15 120.40 123.60 1i6x s VAL 94 Ca 0.04 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1i6x s VAL 94 Cb -0.13 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.41 1i6x s VAL 94 CO -0.10 0.10 0.75 0.00 -3.33 0.00 0.00 175.10 172.52 1i6x s ALA 95 N 0.40 3.33 -0.00 1.54 0.00 0.15 -1.74 121.76 125.44 1i6x s ALA 95 Ca -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1i6x s ALA 95 Cb -0.07 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1i6x s ALA 95 CO -0.01 0.19 0.11 -1.83 0.00 0.00 0.00 175.76 174.22 1i6x s GLU 96 N -3.34 0.40 -0.02 0.00 -1.05 -0.92 -0.49 118.70 113.28 1i6x s GLU 96 Ca 0.53 -0.34 -0.18 0.00 -0.15 0.00 0.00 54.97 54.82 1i6x s GLU 96 Cb -0.10 0.16 0.03 0.00 -0.44 0.00 0.00 34.13 33.79 1i6x s GLU 96 CO 0.23 -0.09 0.39 -1.50 0.95 0.00 0.00 175.26 175.25 1i6x s ILE 97 N -1.16 0.05 0.59 1.83 2.07 -0.77 -2.19 121.20 121.61 1i6x s ILE 97 Ca -0.13 -0.38 -0.17 0.00 -1.41 0.00 0.00 60.65 58.56 1i6x s ILE 97 Cb -0.07 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 1i6x s ILE 97 CO 0.01 -0.21 1.09 -0.94 -1.91 0.00 0.00 174.94 172.98 1i6x s SER 98 N -1.37 5.62 0.23 4.50 1.04 -1.26 -0.51 113.70 121.94 1i6x s SER 98 Ca -0.12 1.99 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 1i6x s SER 98 Cb -0.04 -2.56 0.27 0.00 0.10 0.00 0.00 66.02 63.79 1i6x s SER 98 CO 0.05 -1.28 1.86 1.88 0.98 0.00 0.00 173.24 176.72 1i6x h TYR 99 N 0.66 0.94 -0.12 5.02 0.99 -1.69 -1.68 116.97 121.10 1i6x h TYR 99 Ca -0.48 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.30 1i6x h TYR 99 Cb 1.24 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.64 1i6x h TYR 99 CO 0.55 0.52 -0.03 -0.22 -0.00 0.00 0.00 178.16 178.97 1i6x h LYS 100 N 0.96 -0.01 -0.38 4.88 1.63 -1.92 0.28 116.57 122.02 1i6x h LYS 100 Ca 0.34 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.09 1i6x h LYS 100 Cb 0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1i6x h LYS 100 CO -0.14 -0.01 0.04 0.87 -3.45 0.00 0.00 179.45 176.77 1i6x h LYS 101 N -0.01 0.58 -0.25 1.90 1.57 -1.88 -2.69 116.57 115.80 1i6x h LYS 101 Ca 0.06 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1i6x h LYS 101 Cb 0.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1i6x h LYS 101 CO -0.12 0.58 -0.49 0.35 -0.57 0.00 0.00 179.45 179.20 1i6x h PHE 102 N 0.56 0.97 0.00 -1.35 3.04 -0.65 -2.19 116.94 117.32 1i6x h PHE 102 Ca 0.12 -0.35 -0.00 0.00 3.98 0.00 0.00 57.97 61.72 1i6x h PHE 102 Cb 0.30 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1i6x h PHE 102 CO 0.01 1.15 -0.01 0.00 -2.02 0.00 0.00 178.31 177.44 1i6x h ARG 103 N 0.51 0.00 0.00 1.11 3.08 -0.24 -1.07 114.38 117.77 1i6x h ARG 103 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i6x h ARG 103 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1i6x h ARG 103 CO 0.11 0.01 -0.00 1.96 -1.07 0.00 0.00 179.97 180.98 1i6x h GLN 104 N 0.00 -0.00 -0.17 0.04 4.20 -1.15 -3.14 115.11 114.89 1i6x h GLN 104 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1i6x h GLN 104 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1i6x h GLN 104 CO 0.00 0.76 0.13 -0.07 -0.67 0.00 0.00 178.83 178.98 1i6x h LEU 105 N -0.77 0.00 -0.01 1.46 3.38 -0.77 -1.04 115.31 117.57 1i6x h LEU 105 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i6x h LEU 105 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1i6x h LEU 105 CO 0.00 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.91 1i6x h ILE 106 N 0.00 0.93 -0.68 1.22 2.04 -1.21 0.19 117.51 120.01 1i6x h ILE 106 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1i6x h ILE 106 Cb 0.33 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1i6x h ILE 106 CO -0.00 0.00 0.39 1.56 0.00 0.00 0.00 178.15 180.10 1i6x h GLN 107 N -0.04 0.93 -0.02 2.37 1.08 -1.17 -0.88 115.11 117.37 1i6x h GLN 107 Ca 0.01 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1i6x h GLN 107 Cb 0.06 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1i6x h GLN 107 CO -0.03 0.67 0.01 0.28 -0.95 0.00 0.00 178.83 178.80 1i6x h VAL 108 N 0.94 1.18 -2.15 -0.54 2.07 -0.70 -3.41 116.25 113.63 1i6x h VAL 108 Ca 0.24 -0.52 -0.37 0.00 0.82 0.00 0.00 66.70 66.87 1i6x h VAL 108 Cb -0.01 1.49 -0.33 0.00 -1.52 0.00 0.00 31.29 30.91 1i6x h VAL 108 CO -0.04 0.14 -0.67 0.21 0.02 0.00 0.00 177.57 177.22 1i6x s ASN 109 N -5.45 1.72 0.62 0.57 3.04 0.61 -5.01 114.94 111.03 1i6x s ASN 109 Ca -0.14 -1.11 0.25 0.00 0.04 0.00 0.00 52.86 51.90 1i6x s ASN 109 Cb 0.04 0.42 1.38 0.00 -1.54 0.00 0.00 41.25 41.56 1i6x s ASN 109 CO 0.67 -0.35 1.77 -0.65 -3.04 0.00 0.00 177.10 175.50 1i6x h PRO 110 N 7.85 0.00 -0.21 0.43 0.11 -1.39 -1.85 132.00 136.94 1i6x h PRO 110 Ca -0.07 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.09 1i6x h PRO 110 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1i6x h PRO 110 CO 0.30 0.00 0.15 0.22 -0.21 0.00 0.00 178.00 178.45 1i6x h ASP 111 N 0.00 0.03 -0.04 -2.05 3.58 -1.93 0.79 116.42 116.80 1i6x h ASP 111 Ca 0.00 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1i6x h ASP 111 Cb 0.76 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1i6x h ASP 111 CO 0.00 0.02 -0.16 -0.29 -2.88 0.00 0.00 179.24 175.93 1i6x h ILE 112 N 0.03 1.22 -0.00 2.25 6.09 -1.68 -1.91 117.51 123.51 1i6x h ILE 112 Ca 0.10 -1.01 -0.22 0.00 -1.37 0.00 0.00 64.86 62.35 1i6x h ILE 112 Cb 0.35 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1i6x h ILE 112 CO -0.00 0.32 -0.93 0.25 -3.07 0.00 0.00 178.15 174.72 1i6x h LEU 113 N 0.36 0.50 -0.73 2.19 5.85 -1.09 -2.90 115.31 119.49 1i6x h LEU 113 Ca 0.07 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1i6x h LEU 113 Cb 0.50 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1i6x h LEU 113 CO 0.03 1.20 0.46 0.24 -0.34 0.00 0.00 178.44 180.03 1i6x h MET 114 N 0.22 0.88 -0.54 1.25 2.86 -0.79 0.13 114.93 118.94 1i6x h MET 114 Ca -0.07 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1i6x h MET 114 Cb 1.57 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1i6x h MET 114 CO 0.16 0.58 -0.05 0.00 1.06 0.00 0.00 176.91 178.66 1i6x h ARG 115 N 0.90 0.97 -0.40 1.72 3.08 -1.34 -0.46 114.38 118.85 1i6x h ARG 115 Ca 0.29 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1i6x h ARG 115 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1i6x h ARG 115 CO -0.11 0.99 -0.09 1.25 -1.07 0.00 0.00 179.97 180.94 1i6x h LEU 116 N 0.88 0.77 -1.10 3.04 5.85 -1.25 -3.12 115.31 120.38 1i6x h LEU 116 Ca 0.15 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1i6x h LEU 116 Cb 0.59 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1i6x h LEU 116 CO 0.04 0.95 0.13 0.28 -0.34 0.00 0.00 178.44 179.49 1i6x h SER 117 N 0.58 0.71 -0.73 1.25 0.02 -0.46 -2.21 113.55 112.70 1i6x h SER 117 Ca 0.10 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1i6x h SER 117 Cb 0.61 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 1i6x h SER 117 CO 0.04 0.70 0.41 0.00 -1.14 0.00 0.00 176.83 176.84 1i6x h ALA 118 N 1.40 1.33 -0.09 3.77 0.00 -1.03 -0.97 119.26 123.67 1i6x h ALA 118 Ca 0.17 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1i6x h ALA 118 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i6x h ALA 118 CO -0.00 0.56 -0.66 1.96 0.00 0.00 0.00 179.25 181.10 1i6x h GLN 119 N 1.04 0.37 -0.26 0.00 4.20 -1.38 -2.17 115.11 116.91 1i6x h GLN 119 Ca 0.26 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1i6x h GLN 119 Cb 0.02 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1i6x h GLN 119 CO -0.04 0.90 -0.40 0.52 -0.67 0.00 0.00 178.83 179.14 1i6x h MET 120 N 0.26 0.61 -0.56 1.46 2.86 -0.98 -0.38 114.93 118.20 1i6x h MET 120 Ca -0.02 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1i6x h MET 120 Cb 1.21 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1i6x h MET 120 CO 0.11 0.90 0.12 0.00 1.06 0.00 0.00 176.91 179.10 1i6x h ALA 121 N 1.06 0.74 -0.45 6.32 0.00 -1.07 -1.45 119.26 124.40 1i6x h ALA 121 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1i6x h ALA 121 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1i6x h ALA 121 CO 0.08 0.46 0.15 -0.09 0.00 0.00 0.00 179.25 179.85 1i6x h ARG 122 N 0.81 0.70 -0.65 0.00 9.65 -1.18 -1.59 114.38 122.11 1i6x h ARG 122 Ca 0.17 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1i6x h ARG 122 Cb 0.37 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1i6x h ARG 122 CO 0.01 0.66 0.37 0.00 2.80 0.00 0.00 179.97 183.81 1i6x h ARG 123 N 0.60 0.88 -0.21 0.20 3.08 -0.81 0.55 114.38 118.67 1i6x h ARG 123 Ca 0.15 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1i6x h ARG 123 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1i6x h ARG 123 CO -0.01 0.63 -0.45 1.25 -1.07 0.00 0.00 179.97 180.33 1i6x h LEU 124 N 0.89 0.55 -0.19 3.04 5.85 -0.94 0.16 115.31 124.67 1i6x h LEU 124 Ca 0.23 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1i6x h LEU 124 Cb -0.01 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1i6x h LEU 124 CO -0.04 0.93 -0.10 1.56 -0.34 0.00 0.00 178.44 180.45 1i6x h GLN 125 N 0.42 0.41 -0.39 1.25 4.20 -0.56 -1.68 115.11 118.75 1i6x h GLN 125 Ca 0.03 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 1i6x h GLN 125 Cb 0.95 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1i6x h GLN 125 CO 0.08 0.71 -0.29 0.28 -0.67 0.00 0.00 178.83 178.94 1i6x h VAL 126 N 0.10 1.28 -0.08 -0.54 2.07 -0.80 -1.80 116.25 116.48 1i6x h VAL 126 Ca 0.04 -1.44 -0.15 0.00 0.82 0.00 0.00 66.70 65.97 1i6x h VAL 126 Cb 0.58 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1i6x h VAL 126 CO 0.03 0.48 -0.61 0.74 0.02 0.00 0.00 177.57 178.23 1i6x h THR 127 N 0.71 1.38 -0.44 2.57 2.02 -0.71 -2.00 112.91 116.45 1i6x h THR 127 Ca 0.08 -1.99 -0.07 0.00 0.77 0.00 0.00 66.41 65.20 1i6x h THR 127 Cb 0.84 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1i6x h THR 127 CO 0.07 0.59 -0.02 0.28 0.37 0.00 0.00 175.52 176.82 1i6x h SER 128 N 0.21 0.78 -0.67 4.18 0.02 -1.19 -0.18 113.55 116.70 1i6x h SER 128 Ca -0.01 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1i6x h SER 128 Cb 1.13 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 1i6x h SER 128 CO 0.10 0.90 0.43 -0.08 -1.14 0.00 0.00 176.83 177.04 1i6x h GLU 129 N 0.63 0.90 -0.55 3.45 4.81 -1.18 -1.47 114.58 121.18 1i6x h GLU 129 Ca 0.12 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1i6x h GLU 129 Cb 0.52 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1i6x h GLU 129 CO 0.03 0.62 0.02 -0.22 -0.73 0.00 0.00 179.01 178.72 1i6x h LYS 130 N 0.92 0.95 -0.53 1.92 3.64 -0.83 -1.02 116.57 121.63 1i6x h LYS 130 Ca 0.25 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1i6x h LYS 130 Cb -0.07 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1i6x h LYS 130 CO -0.05 0.95 0.30 0.28 -2.27 0.00 0.00 179.45 178.66 1i6x h VAL 131 N 0.83 1.02 -0.20 2.00 2.07 -0.06 -1.83 116.25 120.08 1i6x h VAL 131 Ca 0.16 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1i6x h VAL 131 Cb 0.51 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1i6x h VAL 131 CO 0.02 0.11 0.04 1.23 0.02 0.00 0.00 177.57 178.99 1i6x h GLY 132 N 0.59 0.36 0.51 2.17 0.00 -1.13 -2.52 103.07 103.05 1i6x h GLY 132 Ca 0.22 -0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1i6x h GLY 132 CO -0.12 0.22 0.41 3.43 0.00 0.00 0.00 176.54 180.48 1i6x h ASN 133 N 0.14 0.56 0.08 0.19 2.35 -0.90 0.24 115.58 118.25 1i6x h ASN 133 Ca 0.06 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1i6x h ASN 133 Cb 0.30 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1i6x h ASN 133 CO 0.00 0.33 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.76 1i6x h LEU 134 N 0.69 0.31 0.03 1.61 3.38 -1.27 0.13 115.31 120.19 1i6x h LEU 134 Ca 0.37 -0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.96 1i6x h LEU 134 Cb 0.35 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1i6x h LEU 134 CO -0.25 0.58 -1.50 0.00 0.09 0.00 0.00 178.44 177.36 1i6x h ALA 135 N 1.44 0.55 0.00 1.53 0.00 -0.88 -3.40 119.26 118.50 1i6x h ALA 135 Ca 0.04 -1.25 -0.14 0.00 0.00 0.00 0.00 54.91 53.56 1i6x h ALA 135 Cb 0.63 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1i6x h ALA 135 CO 0.05 1.40 -2.04 1.19 0.00 0.00 0.00 179.25 179.85 1i6x n PHE 136 N -3.23 0.00 -3.65 0.00 3.72 0.77 -4.99 117.46 110.08 1i6x n PHE 136 Ca -0.13 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 1i6x n PHE 136 Cb 1.02 -0.64 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1i6x n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1i6x s LEU 137 N -4.77 4.29 0.77 4.37 1.43 0.45 -5.05 118.68 120.17 1i6x s LEU 137 Ca -0.08 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1i6x s LEU 137 Cb 0.09 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 43.16 1i6x s LEU 137 CO 0.78 0.09 1.14 1.51 0.23 0.00 0.00 176.35 180.10 1i6x s ASP 138 N -2.25 4.81 0.45 2.29 3.84 -1.26 -4.74 116.67 119.81 1i6x s ASP 138 Ca 0.39 0.96 0.20 0.00 -0.00 0.00 0.00 52.55 54.10 1i6x s ASP 138 Cb -0.12 -1.59 1.18 0.00 -1.38 0.00 0.00 42.92 41.00 1i6x s ASP 138 CO 0.23 -1.73 1.88 0.58 -0.00 0.00 0.00 175.17 176.13 1i6x h VAL 139 N -0.93 0.68 0.02 2.11 2.07 -1.97 -0.85 116.25 117.38 1i6x h VAL 139 Ca -0.46 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1i6x h VAL 139 Cb 1.30 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1i6x h VAL 139 CO 0.65 0.06 -0.01 0.74 0.02 0.00 0.00 177.57 179.02 1i6x h THR 140 N 0.30 1.20 -0.45 2.57 2.02 -2.00 -2.06 112.91 114.49 1i6x h THR 140 Ca 0.43 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1i6x h THR 140 Cb 1.19 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1i6x h THR 140 CO -0.12 0.17 -0.05 1.23 0.37 0.00 0.00 175.52 177.12 1i6x h GLY 141 N -0.31 0.84 0.97 2.16 0.00 -1.71 -0.27 103.07 104.76 1i6x h GLY 141 Ca -0.00 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1i6x h GLY 141 CO 0.00 0.55 0.22 3.21 0.00 0.00 0.00 176.54 180.53 1i6x h ARG 142 N 0.72 0.45 -0.41 4.80 3.08 -1.12 0.27 114.38 122.17 1i6x h ARG 142 Ca 0.13 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1i6x h ARG 142 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1i6x h ARG 142 CO 0.03 0.29 -0.19 0.82 -1.07 0.00 0.00 179.97 179.86 1i6x h ILE 143 N 0.46 1.28 -0.47 2.04 2.04 -1.20 -0.80 117.51 120.86 1i6x h ILE 143 Ca 0.13 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1i6x h ILE 143 Cb -0.04 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1i6x h ILE 143 CO -0.04 0.44 0.31 0.00 0.00 0.00 0.00 178.15 178.86 1i6x h ALA 144 N 0.82 0.60 -0.33 1.87 0.00 -0.66 -2.10 119.26 119.46 1i6x h ALA 144 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1i6x h ALA 144 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i6x h ALA 144 CO 0.06 0.05 0.04 0.37 0.00 0.00 0.00 179.25 179.76 1i6x h GLN 145 N 0.64 0.56 -0.95 0.00 5.75 -0.36 -2.96 115.11 117.78 1i6x h GLN 145 Ca 0.17 -0.16 0.16 0.00 -0.15 0.00 0.00 58.65 58.67 1i6x h GLN 145 Cb -0.07 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.34 1i6x h GLN 145 CO -0.04 0.66 0.60 1.15 -2.65 0.00 0.00 178.83 178.55 1i6x h THR 146 N 0.38 0.79 0.00 2.39 2.02 -0.84 0.30 112.91 117.96 1i6x h THR 146 Ca 0.10 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1i6x h THR 146 Cb 0.38 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1i6x h THR 146 CO 0.01 0.13 -0.29 -0.07 0.37 0.00 0.00 175.52 175.67 1i6x h LEU 147 N 0.73 0.00 -0.07 2.58 3.38 -1.23 -1.95 115.31 118.75 1i6x h LEU 147 Ca 0.50 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.38 1i6x h LEU 147 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1i6x h LEU 147 CO -0.26 0.29 -0.30 0.25 0.09 0.00 0.00 178.44 178.51 1i6x h LEU 148 N 0.00 0.39 0.19 1.67 7.12 -0.37 -2.92 115.31 121.39 1i6x h LEU 148 Ca -0.00 -0.64 -0.00 0.00 0.13 0.00 0.00 57.88 57.37 1i6x h LEU 148 Cb 0.59 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1i6x h LEU 148 CO 0.04 0.96 -0.16 0.78 -0.13 0.00 0.00 178.44 179.93 1i6x h ASN 149 N -0.17 -0.41 0.34 1.25 -0.26 -0.91 -1.74 115.58 113.67 1i6x h ASN 149 Ca -0.02 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1i6x h ASN 149 Cb 0.95 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1i6x h ASN 149 CO 0.06 -0.25 0.00 0.00 -1.06 0.00 0.00 177.43 176.19 1i6x n LEU 150 N -5.28 0.00 0.06 1.61 -0.00 -0.76 -0.17 117.00 112.46 1i6x n LEU 150 Ca -0.08 0.26 0.13 0.00 -0.00 0.00 0.00 56.01 56.32 1i6x n LEU 150 Cb 0.20 -0.26 0.38 0.00 -0.00 0.00 0.00 43.42 43.73 1i6x n LEU 150 CO 0.32 -0.10 0.72 0.00 -0.00 0.00 0.00 177.39 178.33 1i6x n ALA 151 N -1.26 2.59 1.24 1.47 0.00 -0.68 -2.74 120.51 121.13 1i6x n ALA 151 Ca 0.10 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1i6x n ALA 151 Cb 0.15 -1.36 0.33 0.00 0.00 0.00 0.00 19.45 18.57 1i6x n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1i6x n LYS 152 N -1.98 1.13 -2.28 0.00 5.02 0.77 -4.80 118.16 116.02 1i6x n LYS 152 Ca 0.05 -0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 55.27 1i6x n LYS 152 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1i6x n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i6x s GLN 153 N -2.38 3.49 0.31 1.97 -1.52 -1.11 -4.96 119.66 115.46 1i6x s GLN 153 Ca 0.26 1.37 0.02 0.00 -1.95 0.00 0.00 55.36 55.07 1i6x s GLN 153 Cb 0.19 -2.05 0.59 0.00 -0.22 0.00 0.00 33.01 31.53 1i6x s GLN 153 CO 0.48 -0.70 1.90 -1.00 -0.25 0.00 0.00 175.29 175.73 1i6x h PRO 154 N 1.03 0.92 0.00 2.91 0.13 -1.91 -1.97 132.00 133.11 1i6x h PRO 154 Ca -0.49 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1i6x h PRO 154 Cb 1.23 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1i6x h PRO 154 CO 0.58 0.61 0.00 -0.40 -0.23 0.00 0.00 178.00 178.56 1i6x n ASP 155 N -4.51 0.00 -4.68 1.44 5.75 -1.26 -4.79 116.55 108.50 1i6x n ASP 155 Ca 0.14 0.03 -0.42 0.00 -0.01 0.00 0.00 54.79 54.53 1i6x n ASP 155 Cb 0.25 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 1i6x n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i6x s ALA 156 N -2.57 3.61 -0.07 2.12 0.00 -0.74 -4.94 121.76 119.16 1i6x s ALA 156 Ca 0.17 0.93 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 1i6x s ALA 156 Cb 0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1i6x s ALA 156 CO 0.28 -1.01 0.51 -1.64 0.00 0.00 0.00 175.76 173.90 1i6x s MET 157 N 2.64 4.28 0.41 0.00 -1.94 -0.10 -4.93 119.30 119.67 1i6x s MET 157 Ca 0.66 0.54 -0.25 0.00 -1.71 0.00 0.00 55.69 54.93 1i6x s MET 157 Cb -0.33 -3.38 -0.08 0.00 2.01 0.00 0.00 34.83 33.05 1i6x s MET 157 CO 0.27 0.28 1.17 -0.08 -0.01 0.00 0.00 175.02 176.65 1i6x s THR 158 N 0.19 3.15 0.05 2.05 -1.32 -1.26 0.12 115.64 118.62 1i6x s THR 158 Ca 0.27 0.93 0.07 0.00 -1.21 0.00 0.00 61.69 61.76 1i6x s THR 158 Cb -0.16 -3.51 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1i6x s THR 158 CO 0.13 0.06 -0.16 -2.28 -2.21 0.00 0.00 174.62 170.16 1i6x s HIS 159 N -1.45 2.62 -0.22 9.09 2.46 -0.95 -4.63 115.29 122.22 1i6x s HIS 159 Ca 0.59 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1i6x s HIS 159 Cb -0.30 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 1i6x s HIS 159 CO 0.37 0.30 0.37 -0.35 -2.47 0.00 0.00 174.74 172.97 1i6x n PRO 160 N 1.37 0.42 -1.24 2.88 -0.04 -1.26 -2.03 135.00 135.09 1i6x n PRO 160 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1i6x n PRO 160 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1i6x n PRO 160 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i6x n ASP 161 N 0.68 -0.02 0.00 3.54 2.03 -1.26 -5.14 116.55 116.38 1i6x n ASP 161 Ca 0.00 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.56 1i6x n ASP 161 Cb 0.19 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1i6x n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i6x n GLY 162 N -0.02 0.21 2.95 0.27 0.00 -0.86 -4.74 105.19 103.00 1i6x n GLY 162 Ca -0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1i6x n GLY 162 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1i6x s MET 163 N -1.18 0.11 -0.17 1.61 1.75 -0.18 -2.23 119.30 119.02 1i6x s MET 163 Ca 0.00 0.41 -0.11 0.00 -1.25 0.00 0.00 55.69 54.74 1i6x s MET 163 Cb 0.00 -0.17 -0.05 0.00 2.84 0.00 0.00 34.83 37.45 1i6x s MET 163 CO 0.00 -0.17 0.19 -1.14 -0.65 0.00 0.00 175.02 173.25 1i6x s GLN 164 N 1.23 4.08 0.17 4.11 0.74 0.33 -0.56 119.66 129.76 1i6x s GLN 164 Ca -0.09 -0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.26 1i6x s GLN 164 Cb -0.11 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1i6x s GLN 164 CO -0.07 0.37 -0.06 0.96 -0.55 0.00 0.00 175.29 175.94 1i6x s ILE 165 N 0.13 1.08 -0.20 -2.34 -4.36 0.64 -0.93 121.20 115.22 1i6x s ILE 165 Ca 0.12 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1i6x s ILE 165 Cb -0.12 -2.01 0.04 0.00 1.25 0.00 0.00 42.46 41.62 1i6x s ILE 165 CO 0.01 -0.61 -0.11 -0.75 0.24 0.00 0.00 174.94 173.72 1i6x s LYS 166 N -3.80 2.12 0.09 0.37 2.36 -1.26 -0.54 119.74 119.08 1i6x s LYS 166 Ca 0.21 -0.86 -0.11 0.00 -2.55 0.00 0.00 55.97 52.66 1i6x s LYS 166 Cb 0.04 -2.44 0.01 0.00 -1.05 0.00 0.00 37.83 34.39 1i6x s LYS 166 CO 0.03 -0.41 0.25 -1.50 1.55 0.00 0.00 175.35 175.26 1i6x s ILE 167 N 1.38 0.12 0.13 5.43 1.10 -0.87 -5.02 121.20 123.46 1i6x s ILE 167 Ca -0.01 -1.00 0.04 0.00 -0.51 0.00 0.00 60.65 59.17 1i6x s ILE 167 Cb -0.16 -1.27 -0.04 0.00 0.15 0.00 0.00 42.46 41.14 1i6x s ILE 167 CO -0.08 -0.56 0.11 -0.89 -2.11 0.00 0.00 174.94 171.41 1i6x s THR 168 N -3.76 4.52 0.54 4.00 2.01 -1.26 -4.62 115.64 117.07 1i6x s THR 168 Ca 0.04 -0.93 0.29 0.00 0.31 0.00 0.00 61.69 61.39 1i6x s THR 168 Cb 0.04 -3.25 0.34 0.00 0.01 0.00 0.00 72.50 69.63 1i6x s THR 168 CO -0.11 -0.00 2.20 0.03 -0.69 0.00 0.00 174.62 176.05 1i6x h ARG 169 N 2.80 0.00 -0.17 4.92 3.08 -1.98 -1.45 114.38 121.59 1i6x h ARG 169 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 1i6x h ARG 169 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1i6x h ARG 169 CO 0.64 0.04 -0.18 0.37 -1.07 0.00 0.00 179.97 179.77 1i6x h GLN 170 N 0.00 0.43 -0.42 0.04 4.15 -1.93 -1.89 115.11 115.49 1i6x h GLN 170 Ca -0.00 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.12 1i6x h GLN 170 Cb 0.10 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1i6x h GLN 170 CO 0.00 0.80 -0.01 0.93 -1.93 0.00 0.00 178.83 178.63 1i6x h GLU 171 N 0.08 0.74 -0.25 1.69 5.08 -1.71 -1.73 114.58 118.48 1i6x h GLU 171 Ca 0.03 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1i6x h GLU 171 Cb 0.72 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1i6x h GLU 171 CO 0.04 0.82 0.12 0.82 -1.00 0.00 0.00 179.01 179.82 1i6x h ILE 172 N 0.58 0.99 -0.08 3.13 2.04 -1.32 -1.06 117.51 121.78 1i6x h ILE 172 Ca 0.12 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1i6x h ILE 172 Cb 0.49 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1i6x h ILE 172 CO 0.02 0.05 0.06 1.23 0.00 0.00 0.00 178.15 179.50 1i6x h GLY 173 N 0.25 0.07 2.00 5.37 0.00 -1.18 -0.11 103.07 109.47 1i6x h GLY 173 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1i6x h GLY 173 CO -0.07 0.03 -0.28 1.46 0.00 0.00 0.00 176.54 177.67 1i6x h GLN 174 N 0.07 0.00 0.10 4.80 4.20 -0.37 0.46 115.11 124.37 1i6x h GLN 174 Ca 0.03 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.53 1i6x h GLN 174 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1i6x h GLN 174 CO -0.00 0.28 -1.07 0.82 -0.67 0.00 0.00 178.83 178.19 1i6x h ILE 175 N 0.00 1.24 0.00 2.54 2.04 0.03 -0.79 117.51 122.56 1i6x h ILE 175 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1i6x h ILE 175 Cb 1.12 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1i6x h ILE 175 CO 0.04 0.65 -0.69 -0.37 0.00 0.00 0.00 178.15 177.78 1i6x h VAL 176 N -0.48 0.00 -1.27 1.67 -1.51 -1.15 -3.45 116.25 110.06 1i6x h VAL 176 Ca -0.23 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1i6x h VAL 176 Cb 1.59 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1i6x h VAL 176 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 1i6x n GLY 177 N 1.23 0.49 3.24 5.19 0.00 0.98 -5.04 105.19 111.29 1i6x n GLY 177 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1i6x n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6x s SER 179 N -3.00 6.19 0.46 0.00 1.04 -1.26 -4.22 113.70 112.91 1i6x s SER 179 Ca 0.19 1.59 0.13 0.00 0.48 0.00 0.00 55.95 58.35 1i6x s SER 179 Cb 0.05 -2.50 1.03 0.00 0.10 0.00 0.00 66.02 64.70 1i6x s SER 179 CO -0.00 -0.89 2.03 0.08 0.98 0.00 0.00 173.24 175.44 1i6x h ARG 180 N 0.32 0.08 0.19 4.02 0.11 -1.92 -0.73 114.38 116.45 1i6x h ARG 180 Ca -0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 1i6x h ARG 180 Cb 1.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1i6x h ARG 180 CO 0.60 0.18 -0.09 0.93 0.10 0.00 0.00 179.97 181.69 1i6x h GLU 181 N 0.08 -0.25 -0.78 0.08 3.07 -1.92 0.80 114.58 115.66 1i6x h GLU 181 Ca 0.02 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1i6x h GLU 181 Cb 0.21 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1i6x h GLU 181 CO 0.01 -0.10 0.40 1.15 -1.40 0.00 0.00 179.01 179.08 1i6x h THR 182 N -0.34 1.24 -0.36 1.13 2.02 -1.83 -1.74 112.91 113.03 1i6x h THR 182 Ca -0.03 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1i6x h THR 182 Cb 0.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1i6x h THR 182 CO 0.04 0.28 0.23 0.58 0.37 0.00 0.00 175.52 177.02 1i6x h VAL 183 N 1.09 1.08 -0.29 3.16 2.07 -0.93 -0.39 116.25 122.04 1i6x h VAL 183 Ca 0.27 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1i6x h VAL 183 Cb 0.08 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1i6x h VAL 183 CO -0.04 0.09 0.05 1.23 0.02 0.00 0.00 177.57 178.91 1i6x h GLY 184 N 0.48 0.32 1.12 2.17 0.00 -0.40 0.34 103.07 107.09 1i6x h GLY 184 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1i6x h GLY 184 CO -0.04 -0.02 0.58 3.21 0.00 0.00 0.00 176.54 180.26 1i6x h ARG 185 N 0.15 1.18 -0.06 4.80 3.08 -0.89 -0.96 114.38 121.68 1i6x h ARG 185 Ca 0.14 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1i6x h ARG 185 Cb 0.15 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1i6x h ARG 185 CO -0.19 0.79 -0.77 0.82 -1.07 0.00 0.00 179.97 179.55 1i6x h ILE 186 N 1.21 1.40 -0.23 2.04 2.04 -0.38 -2.78 117.51 120.81 1i6x h ILE 186 Ca 0.33 -2.23 -0.06 0.00 1.00 0.00 0.00 64.86 63.89 1i6x h ILE 186 Cb -0.12 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1i6x h ILE 186 CO -0.07 0.67 -0.12 -0.07 0.00 0.00 0.00 178.15 178.55 1i6x h LEU 187 N 0.24 0.36 -0.04 1.44 3.38 0.13 -0.36 115.31 120.46 1i6x h LEU 187 Ca -0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1i6x h LEU 187 Cb 1.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1i6x h LEU 187 CO 0.13 0.52 0.02 0.50 0.09 0.00 0.00 178.44 179.70 1i6x h LYS 188 N 0.36 0.06 -0.35 1.13 3.64 -0.97 -0.97 116.57 119.47 1i6x h LYS 188 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1i6x h LYS 188 Cb 0.44 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1i6x h LYS 188 CO 0.03 0.12 0.20 0.52 -2.27 0.00 0.00 179.45 178.05 1i6x h MET 189 N -0.02 0.48 -0.05 1.90 2.86 -1.18 0.81 114.93 119.73 1i6x h MET 189 Ca 0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1i6x h MET 189 Cb 0.08 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1i6x h MET 189 CO -0.00 0.38 0.04 -0.07 1.06 0.00 0.00 176.91 178.31 1i6x h LEU 190 N 0.45 0.00 0.07 1.22 4.07 -0.91 0.34 115.31 120.54 1i6x h LEU 190 Ca 0.12 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.97 1i6x h LEU 190 Cb 0.03 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.78 1i6x h LEU 190 CO -0.02 0.00 -0.48 -0.08 -1.08 0.00 0.00 178.44 176.78 1i6x h GLU 191 N 0.00 0.21 0.04 1.13 4.81 -0.43 0.71 114.58 121.05 1i6x h GLU 191 Ca 0.02 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1i6x h GLU 191 Cb 0.10 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1i6x h GLU 191 CO -0.00 1.11 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.79 1i6x h ASP 192 N -0.53 -0.45 0.00 1.04 3.45 -0.08 0.20 116.42 120.04 1i6x h ASP 192 Ca -0.08 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1i6x h ASP 192 Cb 1.33 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.28 1i6x h ASP 192 CO 0.09 -0.22 0.00 0.00 -1.57 0.00 0.00 179.24 177.54 1i6x n GLN 193 N -5.29 0.07 -3.46 3.56 6.02 0.11 -4.79 117.38 113.61 1i6x n GLN 193 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.74 1i6x n GLN 193 Cb 0.21 -1.25 0.06 0.00 1.02 0.00 0.00 30.24 30.28 1i6x n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1i6x n ASN 194 N -0.75 -3.86 -0.00 1.08 4.05 0.69 -4.92 115.26 111.55 1i6x n ASN 194 Ca 0.01 -0.75 0.01 0.00 0.45 0.00 0.00 54.58 54.30 1i6x n ASN 194 Cb 0.00 -4.68 -0.02 0.00 1.23 0.00 0.00 39.78 36.31 1i6x n ASN 194 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1i6x n LEU 195 N -3.86 0.00 -3.99 1.20 4.77 0.23 -5.03 117.00 110.32 1i6x n LEU 195 Ca -0.19 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 1i6x n LEU 195 Cb 0.64 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 1i6x n LEU 195 CO 0.63 0.00 0.17 0.27 -1.33 0.00 0.00 177.39 177.13 1i6x s ILE 196 N -2.19 0.00 -0.08 -0.08 -4.36 -1.15 -3.13 121.20 110.22 1i6x s ILE 196 Ca -0.01 -1.39 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1i6x s ILE 196 Cb 0.02 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.58 1i6x s ILE 196 CO 0.11 -0.02 -0.04 -0.55 0.24 0.00 0.00 174.94 174.69 1i6x s SER 197 N -3.01 1.61 -0.08 4.36 0.15 -0.71 -4.46 113.70 111.55 1i6x s SER 197 Ca 0.22 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.71 1i6x s SER 197 Cb -0.00 -0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 1i6x s SER 197 CO 0.08 -0.12 -0.10 0.00 1.20 0.00 0.00 173.24 174.31 1i6x s ALA 198 N 1.51 2.82 -0.31 5.45 0.00 -1.26 -0.84 121.76 129.13 1i6x s ALA 198 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1i6x s ALA 198 Cb -0.13 -1.16 0.15 0.00 0.00 0.00 0.00 23.12 21.98 1i6x s ALA 198 CO -0.04 0.49 0.36 -1.58 0.00 0.00 0.00 175.76 175.00 1i6x s HIS 199 N -0.52 -0.65 0.00 0.00 2.46 -0.54 -5.04 115.29 111.01 1i6x s HIS 199 Ca 0.07 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.45 1i6x s HIS 199 Cb -0.12 -0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.01 1i6x s HIS 199 CO 0.02 -0.96 0.00 0.41 -2.47 0.00 0.00 174.74 171.73 1i6x n GLY 200 N 5.04 1.55 1.58 1.59 0.00 -1.26 -2.16 105.19 111.52 1i6x n GLY 200 Ca 0.02 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1i6x n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6x n LYS 201 N 12.77 3.87 -4.18 1.61 5.02 -1.26 -4.87 118.16 131.12 1i6x n LYS 201 Ca 0.00 -2.65 -0.34 0.00 -2.02 0.00 0.00 58.31 53.29 1i6x n LYS 201 Cb 0.00 -1.98 -0.13 0.00 -0.02 0.00 0.00 35.03 32.90 1i6x n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i6x s THR 202 N -2.13 3.56 -0.04 -0.18 2.01 -0.92 -2.05 115.64 115.89 1i6x s THR 202 Ca 0.47 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1i6x s THR 202 Cb 0.33 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1i6x s THR 202 CO 0.19 0.45 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.71 1i6x s ILE 203 N 0.98 2.28 -0.34 1.82 1.01 0.30 -1.46 121.20 125.78 1i6x s ILE 203 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1i6x s ILE 203 Cb -0.15 -1.83 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1i6x s ILE 203 CO 0.01 0.58 0.11 -0.69 0.00 0.00 0.00 174.94 174.94 1i6x s VAL 204 N -0.46 3.72 0.05 2.92 1.01 -0.02 -0.26 120.40 127.37 1i6x s VAL 204 Ca 0.05 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 1i6x s VAL 204 Cb -0.12 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1i6x s VAL 204 CO 0.01 -0.21 0.53 -0.69 0.00 0.00 0.00 175.10 174.74 1i6x s VAL 205 N 1.38 4.81 -2.88 2.92 1.01 0.27 -1.75 120.40 126.17 1i6x s VAL 205 Ca -0.01 1.13 0.25 0.00 0.00 0.00 0.00 61.98 63.35 1i6x s VAL 205 Cb -0.20 -3.86 0.28 0.00 0.00 0.00 0.00 36.38 32.60 1i6x s VAL 205 CO 0.02 0.56 1.38 -1.22 0.00 0.00 0.00 175.10 175.84