#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o3s h PRO 9 N 0.00 0.02 0.14 -0.67 0.13 -2.06 -3.32 132.00 126.24 1o3s h PRO 9 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1o3s h PRO 9 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1o3s h PRO 9 CO 0.00 0.58 -0.07 1.79 -0.23 0.00 0.00 178.00 180.07 1o3s h THR 10 N -0.54 0.00 -0.27 1.56 1.35 -2.03 -2.91 112.91 110.07 1o3s h THR 10 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1o3s h THR 10 Cb 0.58 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1o3s h THR 10 CO 0.00 0.00 0.56 -0.07 -0.25 0.00 0.00 175.52 175.76 1o3s h LEU 11 N -0.20 0.00 -0.31 3.87 3.38 -1.99 0.93 115.31 120.99 1o3s h LEU 11 Ca -0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1o3s h LEU 11 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1o3s h LEU 11 CO 0.03 0.00 -0.77 -0.08 0.09 0.00 0.00 178.44 177.71 1o3s h GLU 12 N 0.00 0.52 -0.21 1.13 4.81 -1.64 -1.01 114.58 118.18 1o3s h GLU 12 Ca 0.13 -0.44 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 1o3s h GLU 12 Cb 1.24 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1o3s h GLU 12 CO -0.00 1.07 -0.37 2.35 -0.73 0.00 0.00 179.01 181.33 1o3s h TRP 13 N 0.35 0.54 0.37 0.92 7.01 0.10 -2.91 115.95 122.34 1o3s h TRP 13 Ca -0.04 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.79 1o3s h TRP 13 Cb 1.37 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.31 1o3s h TRP 13 CO 0.06 0.77 -0.18 0.35 -2.79 0.00 0.00 178.44 176.65 1o3s h PHE 14 N 0.39 -0.46 -0.69 2.65 3.57 -0.99 -3.28 116.94 118.13 1o3s h PHE 14 Ca 0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1o3s h PHE 14 Cb 0.83 0.15 -0.13 0.00 2.79 0.00 0.00 35.95 39.59 1o3s h PHE 14 CO 0.03 -0.29 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.51 1o3s h LEU 15 N -0.57 -0.87 -0.36 0.59 3.38 -1.25 0.60 115.31 116.82 1o3s h LEU 15 Ca -0.05 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1o3s h LEU 15 Cb 0.38 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1o3s h LEU 15 CO 0.08 -0.26 0.84 0.77 0.09 0.00 0.00 178.44 179.96 1o3s h SER 16 N -0.06 0.00 -0.16 -0.43 4.64 -1.56 1.61 113.55 117.59 1o3s h SER 16 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1o3s h SER 16 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1o3s h SER 16 CO -0.73 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 176.64 1o3s n HIS 17 N -2.47 0.18 -4.48 4.77 8.25 0.21 -4.97 115.22 116.72 1o3s n HIS 17 Ca -0.00 -0.11 -0.31 0.00 -0.26 0.00 0.00 57.72 57.04 1o3s n HIS 17 Cb 0.85 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 1o3s n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o3s s HIS 19 N -1.02 3.57 0.03 0.00 3.76 -0.83 -4.74 115.29 116.06 1o3s s HIS 19 Ca 0.17 1.35 0.06 0.00 -0.15 0.00 0.00 55.06 56.49 1o3s s HIS 19 Cb -0.11 -2.74 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 1o3s s HIS 19 CO 0.08 -0.57 -0.14 0.42 -0.85 0.00 0.00 174.74 173.67 1o3s s ILE 20 N -2.98 3.06 0.04 0.60 -1.09 -1.26 -1.04 121.20 118.53 1o3s s ILE 20 Ca 0.56 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1o3s s ILE 20 Cb -0.11 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 1o3s s ILE 20 CO 0.46 0.34 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.46 1o3s s HIS 21 N -0.96 0.47 0.15 3.97 3.76 -0.91 -4.99 115.29 116.78 1o3s s HIS 21 Ca 0.16 -0.64 0.11 0.00 -0.15 0.00 0.00 55.06 54.53 1o3s s HIS 21 Cb -0.11 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 1o3s s HIS 21 CO 0.06 -0.19 -0.25 0.15 -0.85 0.00 0.00 174.74 173.67 1o3s s LYS 22 N -2.11 1.39 -0.05 1.40 1.02 -1.26 -0.43 119.74 119.71 1o3s s LYS 22 Ca -0.08 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.54 1o3s s LYS 22 Cb -0.06 -1.77 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1o3s s LYS 22 CO -0.02 0.40 -0.07 0.71 -0.92 0.00 0.00 175.35 175.44 1o3s s TYR 23 N -1.34 0.98 0.64 3.18 1.51 0.06 -4.97 117.35 117.40 1o3s s TYR 23 Ca 0.15 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 1o3s s TYR 23 Cb -0.09 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1o3s s TYR 23 CO 0.07 -0.20 1.10 -1.25 -1.11 0.00 0.00 175.55 174.16 1o3s s PRO 24 N 0.74 2.92 0.82 -1.71 0.04 -1.26 -0.98 135.00 135.57 1o3s s PRO 24 Ca -0.12 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 1o3s s PRO 24 Cb -0.14 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1o3s s PRO 24 CO 0.01 -1.16 0.86 0.45 0.04 0.00 0.00 177.00 177.21 1o3s n SER 25 N -2.27 -0.21 0.00 6.66 2.88 -1.24 -1.94 113.62 117.49 1o3s n SER 25 Ca 0.10 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1o3s n SER 25 Cb 0.52 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1o3s n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1o3s n LYS 26 N -2.33 0.00 -1.55 -1.46 5.02 0.14 -4.96 118.16 113.02 1o3s n LYS 26 Ca 0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 1o3s n LYS 26 Cb 0.51 -2.17 0.14 0.00 -0.02 0.00 0.00 35.03 33.49 1o3s n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o3s s SER 27 N -2.66 3.46 -0.20 4.39 1.04 -0.82 -4.64 113.70 114.26 1o3s s SER 27 Ca 0.00 0.93 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1o3s s SER 27 Cb 0.00 -1.47 0.03 0.00 0.10 0.00 0.00 66.02 64.68 1o3s s SER 27 CO 0.00 -2.58 -0.16 0.28 0.98 0.00 0.00 173.24 171.76 1o3s s THR 28 N -3.30 2.03 0.00 2.02 -1.32 -1.26 -0.52 115.64 113.29 1o3s s THR 28 Ca 0.64 -1.13 -0.19 0.00 -1.21 0.00 0.00 61.69 59.80 1o3s s THR 28 Cb -0.14 -1.95 -0.27 0.00 -1.51 0.00 0.00 72.50 68.64 1o3s s THR 28 CO 0.53 0.35 1.04 -0.07 -2.21 0.00 0.00 174.62 174.26 1o3s h LEU 29 N 7.90 0.59 -8.25 9.08 4.07 -1.66 -3.45 115.31 123.60 1o3s h LEU 29 Ca -0.37 -0.83 -0.64 0.00 0.08 0.00 0.00 57.88 56.13 1o3s h LEU 29 Cb 1.11 -0.19 -0.33 0.00 1.08 0.00 0.00 40.66 42.33 1o3s h LEU 29 CO 0.57 1.36 -0.86 -0.63 -1.08 0.00 0.00 178.44 177.79 1o3s s ILE 30 N -2.95 1.83 -0.14 1.22 1.01 -1.17 -5.00 121.20 116.00 1o3s s ILE 30 Ca -0.12 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1o3s s ILE 30 Cb 0.03 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1o3s s ILE 30 CO 0.85 0.51 0.26 -1.00 0.00 0.00 0.00 174.94 175.55 1o3s s HIS 31 N 0.43 3.51 0.46 3.97 3.76 -1.26 -2.10 115.29 124.07 1o3s s HIS 31 Ca -0.18 0.60 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 1o3s s HIS 31 Cb -0.17 -2.23 -0.09 0.00 1.11 0.00 0.00 32.58 31.19 1o3s s HIS 31 CO 0.08 0.39 1.03 -1.14 -0.85 0.00 0.00 174.74 174.25 1o3s s GLN 32 N -0.03 3.92 0.00 1.40 -0.44 -1.19 -3.21 119.66 120.11 1o3s s GLN 32 Ca 0.16 1.38 0.00 0.00 -2.50 0.00 0.00 55.36 54.40 1o3s s GLN 32 Cb -0.13 -2.21 0.00 0.00 -1.64 0.00 0.00 33.01 29.03 1o3s s GLN 32 CO 0.04 -0.33 0.00 0.41 0.50 0.00 0.00 175.29 175.91 1o3s n GLY 33 N -0.14 2.67 3.77 2.59 0.00 -0.85 -4.91 105.19 108.33 1o3s n GLY 33 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1o3s n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o3s s GLU 34 N -0.03 3.80 0.26 1.61 2.56 -1.20 -4.45 118.70 121.25 1o3s s GLU 34 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 54.97 56.35 1o3s s GLU 34 Cb 0.00 -2.37 -0.13 0.00 2.00 0.00 0.00 34.13 33.62 1o3s s GLU 34 CO 0.00 -0.49 1.32 1.17 -0.56 0.00 0.00 175.26 176.70 1o3s n LYS 35 N -0.52 1.90 -4.07 4.30 4.81 -1.26 -1.42 118.16 121.89 1o3s n LYS 35 Ca 0.07 0.67 -0.34 0.00 -0.87 0.00 0.00 58.31 57.84 1o3s n LYS 35 Cb 0.49 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.16 1o3s n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1o3s s ALA 36 N -0.36 3.31 0.00 3.14 0.00 -0.52 -4.81 121.76 122.51 1o3s s ALA 36 Ca 0.65 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1o3s s ALA 36 Cb -0.66 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1o3s s ALA 36 CO 0.53 0.15 0.00 0.39 0.00 0.00 0.00 175.76 176.83 1o3s n GLU 37 N 3.62 0.00 -4.27 0.00 1.02 -1.26 -4.67 120.64 115.08 1o3s n GLU 37 Ca -0.17 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.75 1o3s n GLU 37 Cb 0.52 -0.26 -0.12 0.00 -0.02 0.00 0.00 31.44 31.56 1o3s n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1o3s s THR 38 N 0.00 1.60 0.00 2.62 2.01 -1.26 -1.55 115.64 119.06 1o3s s THR 38 Ca 0.00 -1.58 0.03 0.00 0.31 0.00 0.00 61.69 60.45 1o3s s THR 38 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1o3s s THR 38 CO 0.00 -0.16 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.49 1o3s s LEU 39 N -2.06 3.21 0.14 4.42 2.96 0.25 -4.72 118.68 122.89 1o3s s LEU 39 Ca 0.07 -0.12 0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1o3s s LEU 39 Cb -0.09 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1o3s s LEU 39 CO 0.04 0.29 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.81 1o3s s TYR 40 N -1.00 2.16 -0.19 5.38 1.51 0.66 -2.28 117.35 123.59 1o3s s TYR 40 Ca 0.17 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1o3s s TYR 40 Cb -0.11 -1.14 0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1o3s s TYR 40 CO 0.08 0.35 0.16 -0.47 -1.11 0.00 0.00 175.55 174.56 1o3s s TYR 41 N -1.33 -0.07 -0.41 2.71 6.14 -1.06 0.69 117.35 124.03 1o3s s TYR 41 Ca 0.14 0.00 -0.28 0.00 0.64 0.00 0.00 57.07 57.57 1o3s s TYR 41 Cb -0.09 -0.50 -0.01 0.00 0.42 0.00 0.00 41.96 41.78 1o3s s TYR 41 CO 0.07 -0.55 1.69 0.42 0.64 0.00 0.00 175.55 177.81 1o3s s ILE 42 N 2.25 3.58 0.18 3.14 1.01 0.78 -1.62 121.20 130.52 1o3s s ILE 42 Ca 0.05 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1o3s s ILE 42 Cb -0.16 -3.88 -0.14 0.00 0.01 0.00 0.00 42.46 38.30 1o3s s ILE 42 CO -0.11 -0.62 1.41 0.58 0.00 0.00 0.00 174.94 176.20 1o3s h VAL 43 N 6.71 1.58 -1.81 2.92 2.07 -1.45 -0.34 116.25 125.93 1o3s h VAL 43 Ca -0.30 -2.81 0.01 0.00 0.82 0.00 0.00 66.70 64.41 1o3s h VAL 43 Cb 1.15 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 33.22 1o3s h VAL 43 CO 1.08 0.81 0.30 -0.75 0.02 0.00 0.00 177.57 179.03 1o3s s LYS 44 N -3.12 0.73 0.00 1.57 2.20 -0.38 -4.73 119.74 116.01 1o3s s LYS 44 Ca -0.01 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1o3s s LYS 44 Cb 0.11 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1o3s s LYS 44 CO 0.80 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 1o3s n GLY 45 N 2.00 1.78 3.39 5.54 0.00 -1.26 -1.03 105.19 115.62 1o3s n GLY 45 Ca -0.14 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1o3s n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o3s s SER 46 N 0.00 3.11 0.35 1.61 1.04 -1.26 -3.71 113.70 114.84 1o3s s SER 46 Ca 0.00 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.60 1o3s s SER 46 Cb 0.00 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1o3s s SER 46 CO 0.00 0.05 0.19 1.33 0.98 0.00 0.00 173.24 175.78 1o3s n VAL 47 N 0.21 0.00 -3.95 5.02 0.24 -0.65 -0.65 118.33 118.55 1o3s n VAL 47 Ca -0.12 -2.21 -0.16 0.00 -2.04 0.00 0.00 64.34 59.81 1o3s n VAL 47 Cb 0.57 0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 33.70 1o3s n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1o3s s ALA 48 N -3.11 0.28 -0.23 2.33 0.00 0.47 -2.31 121.76 119.19 1o3s s ALA 48 Ca 0.26 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1o3s s ALA 48 Cb 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1o3s s ALA 48 CO 0.19 -0.03 0.22 0.08 0.00 0.00 0.00 175.76 176.21 1o3s s VAL 49 N 0.68 5.32 0.00 0.00 1.01 -0.65 -0.92 120.40 125.85 1o3s s VAL 49 Ca -0.07 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1o3s s VAL 49 Cb -0.10 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1o3s s VAL 49 CO -0.01 0.32 0.20 -1.48 0.00 0.00 0.00 175.10 174.13 1o3s s LEU 50 N 1.16 1.29 0.03 3.92 0.05 0.73 -1.23 118.68 124.63 1o3s s LEU 50 Ca 0.10 -0.14 0.07 0.00 0.05 0.00 0.00 54.13 54.21 1o3s s LEU 50 Cb -0.14 0.92 -0.03 0.00 -2.05 0.00 0.00 46.19 44.89 1o3s s LEU 50 CO 0.06 -0.43 -0.17 0.27 -0.55 0.00 0.00 176.35 175.52 1o3s s ILE 51 N -1.56 2.83 0.24 1.48 -4.36 -0.90 -0.55 121.20 118.38 1o3s s ILE 51 Ca -0.13 -1.14 0.08 0.00 -0.26 0.00 0.00 60.65 59.20 1o3s s ILE 51 Cb -0.06 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1o3s s ILE 51 CO 0.02 0.36 0.08 -0.54 0.24 0.00 0.00 174.94 175.10 1o3s s LYS 52 N -1.39 2.59 0.49 0.37 1.02 -1.26 -0.89 119.74 120.67 1o3s s LYS 52 Ca 0.14 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 54.97 1o3s s LYS 52 Cb -0.11 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1o3s s LYS 52 CO 0.05 0.40 0.68 0.16 -0.92 0.00 0.00 175.35 175.72 1o3s s ASP 53 N -3.60 5.48 0.39 2.83 -4.77 0.30 -4.93 116.67 112.37 1o3s s ASP 53 Ca 0.31 -0.15 0.19 0.00 -3.30 0.00 0.00 52.55 49.60 1o3s s ASP 53 Cb -0.08 -0.85 1.11 0.00 -1.09 0.00 0.00 42.92 42.02 1o3s s ASP 53 CO 0.22 -0.95 1.75 1.05 0.70 0.00 0.00 175.17 177.95 1o3s h GLU 54 N 0.33 0.37 -0.00 2.11 9.09 -2.01 0.37 114.58 124.85 1o3s h GLU 54 Ca -0.42 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1o3s h GLU 54 Cb 1.29 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1o3s h GLU 54 CO 0.50 0.24 -0.04 0.39 0.05 0.00 0.00 179.01 180.15 1o3s n GLU 55 N -4.66 0.16 0.00 1.06 1.02 -1.26 -4.91 120.64 112.06 1o3s n GLU 55 Ca 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1o3s n GLU 55 Cb 0.92 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1o3s n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o3s n GLY 56 N 1.43 1.37 3.76 0.62 0.00 0.12 -5.08 105.19 107.41 1o3s n GLY 56 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1o3s n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o3s n LYS 57 N -1.08 2.73 -4.13 1.61 5.02 -1.26 -4.60 118.16 116.44 1o3s n LYS 57 Ca 0.00 0.96 -0.26 0.00 -2.02 0.00 0.00 58.31 56.99 1o3s n LYS 57 Cb 0.00 -2.73 -0.06 0.00 -0.02 0.00 0.00 35.03 32.22 1o3s n LYS 57 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o3s s GLU 58 N -1.28 2.70 -0.13 1.97 2.02 -1.26 0.11 118.70 122.84 1o3s s GLU 58 Ca 0.59 -0.98 -0.04 0.00 0.02 0.00 0.00 54.97 54.56 1o3s s GLU 58 Cb -0.48 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.28 1o3s s GLU 58 CO 0.56 0.47 0.12 1.41 0.02 0.00 0.00 175.26 177.84 1o3s s MET 59 N -3.07 0.04 -0.46 1.61 -2.45 -0.07 -4.65 119.30 110.25 1o3s s MET 59 Ca 0.30 0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 54.66 1o3s s MET 59 Cb -0.10 -1.07 0.02 0.00 1.25 0.00 0.00 34.83 34.93 1o3s s MET 59 CO 0.21 -0.51 1.30 0.42 1.05 0.00 0.00 175.02 177.50 1o3s s ILE 60 N 2.21 4.00 -0.28 10.11 1.01 0.13 -2.12 121.20 136.26 1o3s s ILE 60 Ca 0.04 1.00 0.22 0.00 0.00 0.00 0.00 60.65 61.91 1o3s s ILE 60 Cb -0.14 -4.40 0.26 0.00 0.01 0.00 0.00 42.46 38.19 1o3s s ILE 60 CO -0.07 -0.92 1.61 -0.07 0.00 0.00 0.00 174.94 175.49 1o3s h LEU 61 N 11.93 0.00 0.00 2.97 3.38 -1.48 -3.44 115.31 128.67 1o3s h LEU 61 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1o3s h LEU 61 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1o3s h LEU 61 CO 1.12 0.15 0.00 -0.24 0.09 0.00 0.00 178.44 179.56 1o3s n SER 62 N -3.15 0.00 -4.25 -0.43 2.88 -1.21 -4.94 113.62 102.52 1o3s n SER 62 Ca 0.03 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.34 1o3s n SER 62 Cb 0.56 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 1o3s n SER 62 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1o3s s TYR 63 N -2.00 1.68 0.09 0.66 2.02 -1.26 -1.64 117.35 116.91 1o3s s TYR 63 Ca 0.00 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 1o3s s TYR 63 Cb 0.00 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.57 1o3s s TYR 63 CO 0.00 0.15 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.52 1o3s s LEU 64 N -1.65 2.40 0.00 -1.29 1.43 -0.98 -4.96 118.68 113.63 1o3s s LEU 64 Ca 0.05 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1o3s s LEU 64 Cb -0.10 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1o3s s LEU 64 CO 0.03 -0.26 0.00 0.59 0.23 0.00 0.00 176.35 176.94 1o3s n ASN 65 N 0.58 0.29 -4.45 2.29 3.02 -1.26 -1.64 115.26 114.09 1o3s n ASN 65 Ca -0.16 -0.77 -0.50 0.00 -0.03 0.00 0.00 54.58 53.12 1o3s n ASN 65 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1o3s n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o3s n GLN 66 N 0.00 0.22 -1.22 3.52 3.00 -1.24 -0.63 117.38 121.03 1o3s n GLN 66 Ca 0.00 0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1o3s n GLN 66 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 1o3s n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1o3s n GLY 67 N 1.83 0.94 3.64 1.08 0.00 -0.14 -4.99 105.19 107.56 1o3s n GLY 67 Ca 0.17 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1o3s n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o3s s ASP 68 N -2.74 4.93 0.30 1.61 1.01 0.20 -4.93 116.67 117.04 1o3s s ASP 68 Ca 0.00 -0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 1o3s s ASP 68 Cb 0.00 -1.27 -0.05 0.00 1.01 0.00 0.00 42.92 42.61 1o3s s ASP 68 CO 0.00 0.32 0.55 -0.36 0.21 0.00 0.00 175.17 175.89 1o3s s PHE 69 N -0.96 3.48 0.08 4.23 0.40 -1.26 -0.15 117.98 123.80 1o3s s PHE 69 Ca 0.16 0.61 -0.02 0.00 -0.60 0.00 0.00 56.93 57.08 1o3s s PHE 69 Cb -0.11 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1o3s s PHE 69 CO 0.06 0.16 0.03 0.42 0.70 0.00 0.00 175.22 176.59 1o3s s ILE 70 N -2.12 0.17 -1.82 0.64 1.01 0.22 -4.85 121.20 114.45 1o3s s ILE 70 Ca 0.43 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.32 1o3s s ILE 70 Cb -0.11 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1o3s s ILE 70 CO 0.31 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 175.07 1o3s n GLY 71 N 0.02 -0.22 0.04 6.18 0.00 -1.26 -0.25 105.19 109.70 1o3s n GLY 71 Ca -0.11 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1o3s n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o3s n GLU 72 N -2.93 0.23 0.13 1.61 0.00 -1.26 -4.28 120.64 114.15 1o3s n GLU 72 Ca -0.24 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.07 1o3s n GLU 72 Cb 0.69 -1.61 0.50 0.00 0.00 0.00 0.00 31.44 31.02 1o3s n GLU 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1o3s n LEU 73 N -1.93 0.65 -1.30 -1.84 4.77 -1.26 -2.30 117.00 113.79 1o3s n LEU 73 Ca 0.03 0.68 0.09 0.00 -0.03 0.00 0.00 56.01 56.77 1o3s n LEU 73 Cb 0.42 -0.61 0.31 0.00 -2.33 0.00 0.00 43.42 41.21 1o3s n LEU 73 CO 0.38 -0.61 0.77 0.61 -1.33 0.00 0.00 177.39 177.21 1o3s n GLY 74 N -0.17 3.01 0.06 -0.72 0.00 -1.26 -4.47 105.19 101.65 1o3s n GLY 74 Ca 0.02 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.38 1o3s n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1o3s n LEU 75 N 0.69 0.23 -0.20 0.99 7.94 -0.97 -4.03 117.00 121.65 1o3s n LEU 75 Ca 0.23 0.10 0.02 0.00 -1.11 0.00 0.00 56.01 55.24 1o3s n LEU 75 Cb 0.82 -0.18 0.03 0.00 0.53 0.00 0.00 43.42 44.63 1o3s n LEU 75 CO 0.20 0.04 0.40 0.49 -1.11 0.00 0.00 177.39 177.41 1o3s n PHE 76 N -1.05 0.06 -3.20 1.96 3.01 -1.26 -4.95 117.46 112.03 1o3s n PHE 76 Ca 0.16 -0.17 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1o3s n PHE 76 Cb 0.23 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 1o3s n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1o3s s GLU 77 N -0.58 0.52 0.40 -1.08 2.12 -1.26 -5.15 118.70 113.67 1o3s s GLU 77 Ca 0.06 0.80 -0.19 0.00 0.36 0.00 0.00 54.97 56.01 1o3s s GLU 77 Cb 0.04 0.27 -0.15 0.00 0.26 0.00 0.00 34.13 34.56 1o3s s GLU 77 CO 0.06 -0.71 0.04 0.39 -0.54 0.00 0.00 175.26 174.49 1o3s n GLU 78 N 5.41 0.00 -3.08 4.30 -0.58 -1.26 -3.70 120.64 121.73 1o3s n GLU 78 Ca -0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1o3s n GLU 78 Cb 0.51 -0.94 0.01 0.00 -0.57 0.00 0.00 31.44 30.46 1o3s n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o3s n GLY 79 N 2.22 -1.05 3.06 0.62 0.00 -1.26 -5.03 105.19 103.76 1o3s n GLY 79 Ca 0.10 1.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.98 1o3s n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o3s s GLN 80 N -2.84 0.67 0.15 1.61 2.00 -1.24 -5.07 119.66 114.95 1o3s s GLN 80 Ca 0.20 -0.58 0.07 0.00 -2.00 0.00 0.00 55.36 53.04 1o3s s GLN 80 Cb -0.04 -0.60 -0.04 0.00 0.80 0.00 0.00 33.01 33.13 1o3s s GLN 80 CO 0.79 0.15 0.01 -1.21 -0.50 0.00 0.00 175.29 174.53 1o3s s GLU 81 N -0.95 2.48 0.23 1.67 2.02 -1.26 -1.44 118.70 121.44 1o3s s GLU 81 Ca -0.02 -1.02 -0.32 0.00 0.02 0.00 0.00 54.97 53.63 1o3s s GLU 81 Cb -0.07 -2.42 -0.13 0.00 0.10 0.00 0.00 34.13 31.61 1o3s s GLU 81 CO 0.00 0.48 1.47 0.54 0.02 0.00 0.00 175.26 177.77 1o3s n ARG 82 N 0.02 2.14 0.00 1.61 5.12 -0.51 -4.84 116.66 120.20 1o3s n ARG 82 Ca -0.10 0.76 0.13 0.00 -1.93 0.00 0.00 57.85 56.72 1o3s n ARG 82 Cb 0.54 -2.46 0.45 0.00 -1.16 0.00 0.00 32.46 29.83 1o3s n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1o3s n SER 83 N 2.47 0.50 -3.15 0.55 3.41 -1.26 -2.00 113.62 114.14 1o3s n SER 83 Ca 0.13 -0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 58.36 1o3s n SER 83 Cb 0.31 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1o3s n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o3s n ALA 84 N -1.17 -2.49 -2.70 7.33 0.00 -1.26 -4.93 120.51 115.29 1o3s n ALA 84 Ca 0.10 -0.99 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 1o3s n ALA 84 Cb 0.32 0.58 -0.05 0.00 0.00 0.00 0.00 19.45 20.30 1o3s n ALA 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1o3s s TRP 85 N -2.32 3.49 -0.16 0.00 0.52 0.29 -3.20 118.94 117.56 1o3s s TRP 85 Ca 0.21 0.53 -0.02 0.00 0.02 0.00 0.00 56.10 56.85 1o3s s TRP 85 Cb -0.03 -1.98 0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1o3s s TRP 85 CO 0.06 0.46 0.00 0.08 0.02 0.00 0.00 176.95 177.57 1o3s s VAL 86 N -1.62 0.68 -0.03 4.03 1.01 -0.89 -0.19 120.40 123.39 1o3s s VAL 86 Ca 0.39 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1o3s s VAL 86 Cb -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1o3s s VAL 86 CO 0.24 -0.02 -0.15 -0.60 0.00 0.00 0.00 175.10 174.57 1o3s s ARG 87 N 1.81 2.41 -0.05 2.72 3.52 -0.09 -1.56 118.95 127.71 1o3s s ARG 87 Ca 0.01 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1o3s s ARG 87 Cb -0.16 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1o3s s ARG 87 CO -0.07 0.61 1.15 0.00 -0.81 0.00 0.00 175.30 176.17 1o3s s ALA 88 N -0.78 3.44 0.06 6.12 0.00 0.33 -0.39 121.76 130.54 1o3s s ALA 88 Ca 0.12 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1o3s s ALA 88 Cb -0.11 -3.48 -0.26 0.00 0.00 0.00 0.00 23.12 19.27 1o3s s ALA 88 CO 0.02 -0.66 1.08 0.87 0.00 0.00 0.00 175.76 177.07 1o3s h LYS 89 N 7.27 0.19 -4.93 0.00 1.57 -1.17 0.39 116.57 119.88 1o3s h LYS 89 Ca -0.35 -0.33 -0.50 0.00 -1.87 0.00 0.00 60.65 57.60 1o3s h LYS 89 Cb 1.17 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 1o3s h LYS 89 CO 0.86 1.11 -0.48 0.95 -0.57 0.00 0.00 179.45 181.32 1o3s s THR 90 N -2.65 0.05 0.96 -0.16 -4.23 -1.10 -4.61 115.64 103.89 1o3s s THR 90 Ca -0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1o3s s THR 90 Cb 0.08 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.46 1o3s s THR 90 CO 0.86 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 175.18 1o3s n ALA 91 N -0.68 -3.01 -3.60 3.99 0.00 -1.26 -3.72 120.51 112.24 1o3s n ALA 91 Ca 0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 1o3s n ALA 91 Cb 0.62 -1.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 1o3s n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o3s s GLU 93 N 1.10 3.31 -0.09 0.00 2.12 -0.19 -0.76 118.70 124.18 1o3s s GLU 93 Ca -0.07 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1o3s s GLU 93 Cb -0.07 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.34 1o3s s GLU 93 CO -0.09 -0.22 -0.03 0.08 -0.54 0.00 0.00 175.26 174.46 1o3s s VAL 94 N 1.46 0.66 0.58 3.70 1.01 0.42 -1.11 120.40 127.12 1o3s s VAL 94 Ca 0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1o3s s VAL 94 Cb -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1o3s s VAL 94 CO -0.04 0.29 1.11 0.00 0.00 0.00 0.00 175.10 176.47 1o3s s ALA 95 N 1.86 2.64 -0.08 5.51 0.00 -0.64 -2.14 121.76 128.91 1o3s s ALA 95 Ca 0.05 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 1o3s s ALA 95 Cb -0.13 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1o3s s ALA 95 CO -0.07 -0.89 0.22 -1.21 0.00 0.00 0.00 175.76 173.82 1o3s s GLU 96 N -3.57 0.27 0.06 0.00 2.02 -0.21 -2.56 118.70 114.70 1o3s s GLU 96 Ca 0.70 0.30 -0.13 0.00 0.02 0.00 0.00 54.97 55.86 1o3s s GLU 96 Cb -0.22 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.16 1o3s s GLU 96 CO 0.31 -0.03 0.28 -1.50 0.02 0.00 0.00 175.26 174.34 1o3s s ILE 97 N 0.09 0.09 0.24 -1.63 2.07 -0.97 -1.96 121.20 119.13 1o3s s ILE 97 Ca -0.00 -0.77 -0.17 0.00 -1.41 0.00 0.00 60.65 58.29 1o3s s ILE 97 Cb -0.02 -1.01 -0.08 0.00 0.13 0.00 0.00 42.46 41.48 1o3s s ILE 97 CO 0.00 -0.43 0.69 -0.94 -1.91 0.00 0.00 174.94 172.35 1o3s s SER 98 N -2.24 6.92 0.11 4.50 1.04 -1.26 0.86 113.70 123.63 1o3s s SER 98 Ca -0.03 1.30 -0.35 0.00 0.48 0.00 0.00 55.95 57.35 1o3s s SER 98 Cb 0.00 -2.37 -0.14 0.00 0.10 0.00 0.00 66.02 63.60 1o3s s SER 98 CO -0.05 -0.02 1.56 1.88 0.98 0.00 0.00 173.24 177.58 1o3s h TYR 99 N 3.10 -1.57 -1.00 5.02 0.05 -1.60 0.99 116.97 121.95 1o3s h TYR 99 Ca -0.48 0.05 0.18 0.00 0.05 0.00 0.00 58.73 58.52 1o3s h TYR 99 Cb 1.19 0.68 -0.18 0.00 1.01 0.00 0.00 36.73 39.43 1o3s h TYR 99 CO 0.63 -0.59 -0.32 -0.22 -1.05 0.00 0.00 178.16 176.62 1o3s h LYS 100 N -0.71 -0.00 0.28 4.88 3.64 -1.94 1.40 116.57 124.12 1o3s h LYS 100 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1o3s h LYS 100 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1o3s h LYS 100 CO -0.34 -0.00 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.49 1o3s h LYS 101 N -0.00 -0.36 -0.36 1.90 1.63 -1.57 -2.99 116.57 114.82 1o3s h LYS 101 Ca 0.41 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.31 1o3s h LYS 101 Cb 0.66 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.31 1o3s h LYS 101 CO -1.01 -0.14 -0.06 0.35 -3.45 0.00 0.00 179.45 175.14 1o3s h PHE 102 N -0.52 -0.14 -0.96 1.91 3.57 0.52 -0.66 116.94 120.67 1o3s h PHE 102 Ca -0.04 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.70 1o3s h PHE 102 Cb 0.38 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 1o3s h PHE 102 CO -0.02 -0.13 0.62 0.00 -2.23 0.00 0.00 178.31 176.55 1o3s h ARG 103 N 0.03 0.49 0.26 1.11 3.08 0.17 -0.98 114.38 118.54 1o3s h ARG 103 Ca 0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1o3s h ARG 103 Cb 0.26 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1o3s h ARG 103 CO -0.35 0.32 -0.18 1.96 -1.07 0.00 0.00 179.97 180.66 1o3s h GLN 104 N 0.50 -0.40 -0.85 0.04 4.20 -0.96 -2.47 115.11 115.16 1o3s h GLN 104 Ca 0.52 0.03 0.24 0.00 0.06 0.00 0.00 58.65 59.50 1o3s h GLN 104 Cb 1.16 0.09 -0.16 0.00 0.30 0.00 0.00 27.48 28.87 1o3s h GLN 104 CO -0.25 -0.27 0.03 1.28 -0.67 0.00 0.00 178.83 178.96 1o3s n LEU 105 N -3.35 -0.09 -0.10 1.46 4.77 -0.43 0.47 117.00 119.74 1o3s n LEU 105 Ca -0.05 1.45 -0.09 0.00 -0.03 0.00 0.00 56.01 57.29 1o3s n LEU 105 Cb 0.18 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1o3s n LEU 105 CO 0.12 -1.47 0.61 0.40 -1.33 0.00 0.00 177.39 175.71 1o3s h ILE 106 N 0.00 0.17 -0.30 -0.08 2.04 -0.96 0.39 117.51 118.77 1o3s h ILE 106 Ca 0.52 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.37 1o3s h ILE 106 Cb 1.09 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1o3s h ILE 106 CO -0.80 0.00 0.11 1.56 0.00 0.00 0.00 178.15 179.02 1o3s h GLN 107 N -0.32 0.43 0.37 2.37 1.08 0.36 -2.60 115.11 116.79 1o3s h GLN 107 Ca 0.14 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1o3s h GLN 107 Cb 0.57 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1o3s h GLN 107 CO -0.52 0.37 -0.18 0.28 -0.95 0.00 0.00 178.83 177.83 1o3s h VAL 108 N 0.43 0.00 -3.20 -0.54 2.07 -0.11 -3.43 116.25 111.47 1o3s h VAL 108 Ca 0.11 -0.12 -0.61 0.00 0.82 0.00 0.00 66.70 66.89 1o3s h VAL 108 Cb 0.11 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 29.54 1o3s h VAL 108 CO -0.01 0.00 -0.84 0.21 0.02 0.00 0.00 177.57 176.95 1o3s s ASN 109 N -3.27 2.68 0.29 0.57 3.84 0.11 -5.02 114.94 114.13 1o3s s ASN 109 Ca -0.07 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 52.66 1o3s s ASN 109 Cb 0.01 -1.20 0.24 0.00 -0.55 0.00 0.00 41.25 39.74 1o3s s ASN 109 CO 0.22 0.01 1.52 1.55 -2.79 0.00 0.00 177.10 177.61 1o3s h PRO 110 N 7.62 0.00 -1.37 0.43 0.13 -1.71 -3.31 132.00 133.79 1o3s h PRO 110 Ca -0.34 0.00 0.43 0.00 -0.87 0.00 0.00 66.00 65.21 1o3s h PRO 110 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1o3s h PRO 110 CO 0.52 0.53 0.91 0.22 -0.23 0.00 0.00 178.00 179.95 1o3s h ASP 111 N 0.00 0.21 -0.26 1.44 -0.00 -1.94 0.70 116.42 116.57 1o3s h ASP 111 Ca -0.01 0.10 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 1o3s h ASP 111 Cb 1.27 0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 40.68 1o3s h ASP 111 CO 0.07 -0.11 -0.17 -0.29 -0.00 0.00 0.00 179.24 178.73 1o3s h ILE 112 N 0.10 1.31 0.00 2.25 6.09 -1.93 -2.19 117.51 123.13 1o3s h ILE 112 Ca 0.79 -1.30 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 1o3s h ILE 112 Cb 2.59 1.58 -0.00 0.00 0.47 0.00 0.00 36.82 41.46 1o3s h ILE 112 CO -0.32 0.41 -0.04 0.25 -3.07 0.00 0.00 178.15 175.38 1o3s h LEU 113 N 0.30 0.00 -1.02 2.19 5.85 -1.12 0.10 115.31 121.62 1o3s h LEU 113 Ca 0.05 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1o3s h LEU 113 Cb 0.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1o3s h LEU 113 CO 0.05 0.04 -0.44 -0.03 -0.34 0.00 0.00 178.44 177.71 1o3s h MET 114 N 0.00 0.10 -0.08 1.25 4.05 -0.98 -0.68 114.93 118.59 1o3s h MET 114 Ca -0.00 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.13 1o3s h MET 114 Cb 0.07 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1o3s h MET 114 CO 0.00 0.53 -0.89 0.00 0.23 0.00 0.00 176.91 176.78 1o3s h ARG 115 N 0.08 0.72 0.65 0.39 2.47 -0.24 -2.78 114.38 115.67 1o3s h ARG 115 Ca 0.00 -0.66 -0.03 0.00 -1.26 0.00 0.00 59.98 58.03 1o3s h ARG 115 Cb 0.82 0.16 0.01 0.00 -1.65 0.00 0.00 29.97 29.31 1o3s h ARG 115 CO 0.06 1.26 -0.31 1.25 0.56 0.00 0.00 179.97 182.79 1o3s h LEU 116 N 0.45 -0.73 -0.92 3.04 6.46 -1.10 -3.00 115.31 119.51 1o3s h LEU 116 Ca -0.08 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 57.97 1o3s h LEU 116 Cb 1.53 0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 41.50 1o3s h LEU 116 CO 0.18 -0.48 0.35 0.28 -0.62 0.00 0.00 178.44 178.14 1o3s h SER 117 N -0.95 0.17 -0.68 1.25 0.02 -1.23 0.19 113.55 112.32 1o3s h SER 117 Ca -0.09 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1o3s h SER 117 Cb 0.66 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 1o3s h SER 117 CO 0.15 -0.15 0.40 0.00 -1.14 0.00 0.00 176.83 176.08 1o3s h ALA 118 N 1.81 0.91 -0.31 3.77 0.00 -1.45 0.23 119.26 124.21 1o3s h ALA 118 Ca 0.61 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.42 1o3s h ALA 118 Cb 1.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1o3s h ALA 118 CO -0.64 0.10 -0.26 1.96 0.00 0.00 0.00 179.25 180.41 1o3s h GLN 119 N 0.74 0.62 -0.40 0.00 4.20 -0.53 0.03 115.11 119.78 1o3s h GLN 119 Ca 0.30 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1o3s h GLN 119 Cb 0.14 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1o3s h GLN 119 CO -0.16 0.82 -0.01 0.52 -0.67 0.00 0.00 178.83 179.34 1o3s h MET 120 N 0.54 0.64 0.68 1.46 2.86 -0.16 -0.21 114.93 120.75 1o3s h MET 120 Ca 0.07 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1o3s h MET 120 Cb 0.73 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1o3s h MET 120 CO 0.06 0.66 -0.33 0.00 1.06 0.00 0.00 176.91 178.36 1o3s h ALA 121 N 1.39 -0.92 -0.92 6.32 0.00 0.10 -1.63 119.26 123.60 1o3s h ALA 121 Ca 0.12 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1o3s h ALA 121 Cb 0.39 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1o3s h ALA 121 CO 0.01 -0.86 0.50 -0.09 0.00 0.00 0.00 179.25 178.82 1o3s h ARG 122 N -1.22 0.65 -0.64 0.00 2.43 -0.96 -0.32 114.38 114.31 1o3s h ARG 122 Ca -0.09 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1o3s h ARG 122 Cb 0.71 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1o3s h ARG 122 CO 0.15 0.43 0.39 0.00 -1.51 0.00 0.00 179.97 179.43 1o3s h ARG 123 N 0.66 0.73 -0.45 0.20 -0.00 -0.92 -2.16 114.38 112.44 1o3s h ARG 123 Ca 0.52 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.98 59.87 1o3s h ARG 123 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.57 1o3s h ARG 123 CO -0.38 0.48 -0.06 1.25 0.00 0.00 0.00 179.97 181.25 1o3s h LEU 124 N 0.75 0.76 0.69 3.04 5.85 -0.07 -2.25 115.31 124.07 1o3s h LEU 124 Ca 0.26 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1o3s h LEU 124 Cb 0.06 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1o3s h LEU 124 CO -0.12 0.87 -0.40 1.56 -0.34 0.00 0.00 178.44 180.00 1o3s h GLN 125 N 0.72 -0.98 -0.86 1.25 4.20 -0.75 -1.85 115.11 116.83 1o3s h GLN 125 Ca 0.13 0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.01 1o3s h GLN 125 Cb 0.53 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1o3s h GLN 125 CO 0.03 -0.65 0.56 -0.24 -0.67 0.00 0.00 178.83 177.86 1o3s h VAL 126 N -1.02 0.95 -0.09 -0.54 3.04 -1.47 0.78 116.25 117.91 1o3s h VAL 126 Ca -0.09 -0.28 -0.10 0.00 -1.01 0.00 0.00 66.70 65.21 1o3s h VAL 126 Cb 0.81 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 1o3s h VAL 126 CO 0.11 0.15 -0.40 0.74 -1.01 0.00 0.00 177.57 177.16 1o3s h THR 127 N 0.82 1.30 -0.13 3.17 2.02 -1.32 0.10 112.91 118.87 1o3s h THR 127 Ca 0.40 -1.48 -0.20 0.00 0.77 0.00 0.00 66.41 65.91 1o3s h THR 127 Cb 0.45 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1o3s h THR 127 CO -0.17 0.44 -0.72 0.28 0.37 0.00 0.00 175.52 175.72 1o3s h SER 128 N 0.17 0.71 0.15 4.18 0.02 -0.35 -1.07 113.55 117.36 1o3s h SER 128 Ca 0.02 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 1o3s h SER 128 Cb 0.78 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1o3s h SER 128 CO 0.06 1.22 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.73 1o3s h GLU 129 N 0.42 0.04 -0.04 3.45 4.81 -0.42 -1.23 114.58 121.61 1o3s h GLU 129 Ca -0.03 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 1o3s h GLU 129 Cb 1.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1o3s h GLU 129 CO 0.14 0.20 -0.86 -0.22 -0.73 0.00 0.00 179.01 177.54 1o3s h LYS 130 N 0.04 0.47 -0.67 1.92 3.64 -0.57 -2.51 116.57 118.88 1o3s h LYS 130 Ca 0.01 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 1o3s h LYS 130 Cb 0.31 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1o3s h LYS 130 CO 0.02 1.10 0.27 0.28 -2.27 0.00 0.00 179.45 178.85 1o3s h VAL 131 N 0.29 1.24 -0.78 2.00 2.07 -0.06 -2.44 116.25 118.56 1o3s h VAL 131 Ca -0.06 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1o3s h VAL 131 Cb 1.48 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1o3s h VAL 131 CO 0.15 0.30 0.39 1.23 0.02 0.00 0.00 177.57 179.66 1o3s h GLY 132 N 0.94 1.19 0.93 2.17 0.00 -1.27 -1.59 103.07 105.44 1o3s h GLY 132 Ca 0.22 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1o3s h GLY 132 CO -0.02 0.55 0.27 3.43 0.00 0.00 0.00 176.54 180.78 1o3s h ASN 133 N 1.09 0.45 0.51 0.19 -0.26 -1.10 1.08 115.58 117.55 1o3s h ASN 133 Ca 0.27 -0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.90 1o3s h ASN 133 Cb 0.09 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1o3s h ASN 133 CO -0.04 0.33 -0.51 -0.07 -1.06 0.00 0.00 177.43 176.08 1o3s h LEU 134 N 0.55 0.00 0.17 1.61 3.38 -1.30 -2.37 115.31 117.35 1o3s h LEU 134 Ca 0.17 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 1o3s h LEU 134 Cb -0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1o3s h LEU 134 CO -0.07 0.51 -1.08 0.00 0.09 0.00 0.00 178.44 177.89 1o3s h ALA 135 N 1.49 -0.08 -0.67 1.53 0.00 -0.39 -3.44 119.26 117.71 1o3s h ALA 135 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1o3s h ALA 135 Cb 0.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1o3s h ALA 135 CO 0.07 0.52 0.00 1.19 0.00 0.00 0.00 179.25 181.03 1o3s n PHE 136 N -3.99 0.00 -1.20 0.00 3.72 0.36 -5.00 117.46 111.36 1o3s n PHE 136 Ca -0.16 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.90 1o3s n PHE 136 Cb 0.91 -0.21 0.12 0.00 -0.94 0.00 0.00 39.48 39.36 1o3s n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1o3s s LEU 137 N -3.89 3.18 0.68 4.37 1.43 -0.90 -5.05 118.68 118.50 1o3s s LEU 137 Ca 0.00 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1o3s s LEU 137 Cb 0.00 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.70 1o3s s LEU 137 CO 0.00 -2.54 0.97 1.51 0.23 0.00 0.00 176.35 176.53 1o3s s ASP 138 N -2.19 4.83 0.42 2.29 1.47 -1.26 -4.69 116.67 117.53 1o3s s ASP 138 Ca 0.73 0.30 0.10 0.00 1.18 0.00 0.00 52.55 54.85 1o3s s ASP 138 Cb -0.28 -0.96 0.93 0.00 -0.34 0.00 0.00 42.92 42.27 1o3s s ASP 138 CO 0.49 -1.56 2.01 0.58 0.68 0.00 0.00 175.17 177.38 1o3s h VAL 139 N -0.49 0.99 -0.27 2.11 2.07 -1.95 0.15 116.25 118.87 1o3s h VAL 139 Ca -0.43 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1o3s h VAL 139 Cb 1.31 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1o3s h VAL 139 CO 0.56 0.09 0.11 0.74 0.02 0.00 0.00 177.57 179.09 1o3s h THR 140 N 0.50 1.17 -0.66 2.57 2.02 -1.98 -0.09 112.91 116.45 1o3s h THR 140 Ca 0.23 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1o3s h THR 140 Cb 0.26 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1o3s h THR 140 CO -0.06 0.18 0.41 1.23 0.37 0.00 0.00 175.52 177.64 1o3s h GLY 141 N 0.28 0.96 1.10 2.16 0.00 -1.51 0.06 103.07 106.12 1o3s h GLY 141 Ca 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1o3s h GLY 141 CO -0.01 0.38 0.02 3.21 0.00 0.00 0.00 176.54 180.15 1o3s h ARG 142 N 0.90 1.08 -0.09 4.80 3.08 -0.89 -2.09 114.38 121.17 1o3s h ARG 142 Ca 0.24 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1o3s h ARG 142 Cb -0.04 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1o3s h ARG 142 CO -0.05 1.04 -0.16 0.82 -1.07 0.00 0.00 179.97 180.55 1o3s h ILE 143 N 0.99 1.39 -0.37 2.04 2.04 -0.78 -2.39 117.51 120.43 1o3s h ILE 143 Ca 0.18 -1.44 0.11 0.00 1.00 0.00 0.00 64.86 64.71 1o3s h ILE 143 Cb 0.54 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1o3s h ILE 143 CO 0.03 0.41 0.32 0.00 0.00 0.00 0.00 178.15 178.91 1o3s h ALA 144 N 0.52 2.17 0.08 1.87 0.00 -0.95 -0.47 119.26 122.48 1o3s h ALA 144 Ca 0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1o3s h ALA 144 Cb 0.74 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1o3s h ALA 144 CO 0.04 -0.51 -1.43 0.37 0.00 0.00 0.00 179.25 177.72 1o3s h GLN 145 N 0.00 0.18 -0.36 0.00 4.15 -1.27 -3.14 115.11 114.67 1o3s h GLN 145 Ca 0.17 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.20 1o3s h GLN 145 Cb 0.82 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1o3s h GLN 145 CO -0.00 1.03 -0.12 1.15 -1.93 0.00 0.00 178.83 178.96 1o3s h THR 146 N 0.05 1.28 -0.61 2.39 2.02 -0.62 -1.43 112.91 115.99 1o3s h THR 146 Ca -0.20 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1o3s h THR 146 Cb 1.97 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 1o3s h THR 146 CO 0.15 0.40 0.31 -0.07 0.37 0.00 0.00 175.52 176.68 1o3s h LEU 147 N 0.51 0.76 -0.29 2.58 3.38 -1.28 0.26 115.31 121.22 1o3s h LEU 147 Ca 0.09 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1o3s h LEU 147 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1o3s h LEU 147 CO 0.04 0.63 -0.04 0.25 0.09 0.00 0.00 178.44 179.41 1o3s h LEU 148 N 0.85 0.54 -0.07 1.67 7.12 -1.47 0.13 115.31 124.09 1o3s h LEU 148 Ca 0.22 -0.34 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1o3s h LEU 148 Cb 0.06 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1o3s h LEU 148 CO -0.03 0.76 -0.01 0.78 -0.13 0.00 0.00 178.44 179.81 1o3s h ASN 149 N 0.32 0.12 -0.68 1.25 2.35 -0.69 -3.05 115.58 115.19 1o3s h ASN 149 Ca 0.08 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 1o3s h ASN 149 Cb 0.50 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1o3s h ASN 149 CO 0.02 0.43 0.29 -0.07 -1.65 0.00 0.00 177.43 176.45 1o3s h LEU 150 N -0.19 0.95 -1.02 1.61 3.38 -0.52 -1.46 115.31 118.05 1o3s h LEU 150 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1o3s h LEU 150 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1o3s h LEU 150 CO 0.00 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1o3s n ALA 151 N -2.44 1.22 0.80 1.53 0.00 0.45 -1.83 120.51 120.24 1o3s n ALA 151 Ca 0.06 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1o3s n ALA 151 Cb 0.17 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1o3s n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o3s n LYS 152 N -2.13 1.48 -1.18 0.00 5.02 -0.57 -4.80 118.16 115.97 1o3s n LYS 152 Ca -0.00 -0.47 -0.29 0.00 -2.02 0.00 0.00 58.31 55.53 1o3s n LYS 152 Cb 0.09 -1.32 0.19 0.00 -0.02 0.00 0.00 35.03 33.97 1o3s n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1o3s s GLN 153 N -2.31 0.03 0.51 1.97 -0.21 -0.76 -4.94 119.66 113.95 1o3s s GLN 153 Ca 0.11 0.33 0.29 0.00 0.02 0.00 0.00 55.36 56.11 1o3s s GLN 153 Cb 0.14 -1.71 1.28 0.00 1.00 0.00 0.00 33.01 33.72 1o3s s GLN 153 CO 0.56 -2.96 1.97 -1.00 -2.12 0.00 0.00 175.29 171.75 1o3s h PRO 154 N -2.05 0.00 -0.28 2.91 0.13 -1.94 -3.14 132.00 127.63 1o3s h PRO 154 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1o3s h PRO 154 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1o3s h PRO 154 CO 0.53 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1o3s n ASP 155 N -3.37 1.61 -4.74 1.44 5.75 -1.26 -4.87 116.55 111.11 1o3s n ASP 155 Ca -0.01 -1.95 -0.40 0.00 -0.01 0.00 0.00 54.79 52.42 1o3s n ASP 155 Cb 0.32 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 1o3s n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o3s s ALA 156 N -1.62 3.30 -0.00 2.12 0.00 -1.19 -4.93 121.76 119.44 1o3s s ALA 156 Ca 0.22 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 1o3s s ALA 156 Cb 0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1o3s s ALA 156 CO 0.16 0.09 0.19 -1.64 0.00 0.00 0.00 175.76 174.55 1o3s s MET 157 N -0.65 3.44 0.57 0.00 -1.94 -0.67 -4.92 119.30 115.12 1o3s s MET 157 Ca 0.44 -0.34 -0.18 0.00 -1.71 0.00 0.00 55.69 53.90 1o3s s MET 157 Cb -0.25 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.45 1o3s s MET 157 CO 0.31 0.67 1.11 -0.08 -0.01 0.00 0.00 175.02 177.02 1o3s s THR 158 N -1.35 3.26 -0.15 2.05 -1.32 -1.26 -1.33 115.64 115.54 1o3s s THR 158 Ca 0.28 0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 61.31 1o3s s THR 158 Cb -0.13 -3.26 0.05 0.00 -1.51 0.00 0.00 72.50 67.65 1o3s s THR 158 CO 0.20 -0.22 0.48 -2.28 -2.21 0.00 0.00 174.62 170.59 1o3s s HIS 159 N -1.95 -0.50 -0.64 9.09 5.04 -0.99 -4.77 115.29 120.57 1o3s s HIS 159 Ca 0.71 1.16 0.00 0.00 -1.54 0.00 0.00 55.06 55.38 1o3s s HIS 159 Cb -0.22 0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.59 1o3s s HIS 159 CO 0.30 -0.31 0.82 -0.35 -2.34 0.00 0.00 174.74 172.86 1o3s n PRO 160 N 2.44 0.00 0.00 2.88 -0.04 -1.26 -1.84 135.00 137.17 1o3s n PRO 160 Ca -0.15 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1o3s n PRO 160 Cb 0.57 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1o3s n PRO 160 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1o3s n ASP 161 N -1.32 1.03 0.00 3.54 8.00 -1.26 -5.09 116.55 121.45 1o3s n ASP 161 Ca 0.00 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1o3s n ASP 161 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1o3s n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o3s n GLY 162 N -0.11 -0.27 3.59 0.44 0.00 -0.77 -2.12 105.19 105.95 1o3s n GLY 162 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1o3s n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1o3s s MET 163 N -2.00 2.41 -0.18 1.61 -1.94 -0.72 -2.34 119.30 116.13 1o3s s MET 163 Ca 0.00 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1o3s s MET 163 Cb 0.00 -2.44 -0.00 0.00 2.01 0.00 0.00 34.83 34.40 1o3s s MET 163 CO 0.00 0.56 -0.11 -1.14 -0.01 0.00 0.00 175.02 174.32 1o3s s GLN 164 N -1.75 3.27 0.38 2.03 0.74 -0.44 0.15 119.66 124.04 1o3s s GLN 164 Ca 0.19 -0.70 0.08 0.00 0.05 0.00 0.00 55.36 54.98 1o3s s GLN 164 Cb -0.11 -2.76 -0.06 0.00 1.10 0.00 0.00 33.01 31.17 1o3s s GLN 164 CO 0.11 -0.07 0.06 0.96 -0.55 0.00 0.00 175.29 175.80 1o3s s ILE 165 N 1.06 2.35 -0.10 -2.34 -4.36 0.88 -1.67 121.20 117.02 1o3s s ILE 165 Ca -0.00 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1o3s s ILE 165 Cb -0.15 -2.90 0.04 0.00 1.25 0.00 0.00 42.46 40.71 1o3s s ILE 165 CO -0.03 -0.09 0.09 -0.75 0.24 0.00 0.00 174.94 174.40 1o3s s LYS 166 N -3.77 -0.01 -0.12 0.37 2.20 -1.26 -1.62 119.74 115.53 1o3s s LYS 166 Ca 0.37 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 1o3s s LYS 166 Cb 0.04 -0.97 0.07 0.00 -1.51 0.00 0.00 37.83 35.45 1o3s s LYS 166 CO 0.20 -0.46 0.69 -1.50 -0.36 0.00 0.00 175.35 173.92 1o3s s ILE 167 N 2.18 0.00 0.61 5.43 2.07 0.54 -4.99 121.20 127.03 1o3s s ILE 167 Ca 0.04 -0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 1o3s s ILE 167 Cb -0.14 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 1o3s s ILE 167 CO -0.06 -0.00 1.04 0.42 -1.91 0.00 0.00 174.94 174.44 1o3s s THR 168 N -0.70 4.06 0.21 4.00 -4.23 -1.26 -4.52 115.64 113.20 1o3s s THR 168 Ca -0.08 0.87 0.21 0.00 -1.18 0.00 0.00 61.69 61.52 1o3s s THR 168 Cb -0.02 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.53 1o3s s THR 168 CO 0.07 -0.68 1.82 0.03 -0.54 0.00 0.00 174.62 175.32 1o3s h ARG 169 N 0.15 0.00 -0.12 3.99 -0.00 -1.93 -2.94 114.38 113.53 1o3s h ARG 169 Ca -0.46 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.05 1o3s h ARG 169 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.15 1o3s h ARG 169 CO 0.58 0.29 -0.07 0.37 0.00 0.00 0.00 179.97 181.15 1o3s h GLN 170 N 0.00 -0.06 -0.62 0.04 4.15 -1.92 -0.56 115.11 116.14 1o3s h GLN 170 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1o3s h GLN 170 Cb 0.75 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1o3s h GLN 170 CO 0.04 -0.04 0.26 0.93 -1.93 0.00 0.00 178.83 178.09 1o3s h GLU 171 N -0.06 0.93 -0.06 1.69 5.08 -1.92 0.04 114.58 120.27 1o3s h GLU 171 Ca 0.07 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1o3s h GLU 171 Cb 0.16 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1o3s h GLU 171 CO -0.16 0.78 -0.02 0.82 -1.00 0.00 0.00 179.01 179.43 1o3s h ILE 172 N 0.87 1.05 -0.27 3.13 2.04 -1.29 0.25 117.51 123.29 1o3s h ILE 172 Ca 0.21 -0.20 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 1o3s h ILE 172 Cb 0.19 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1o3s h ILE 172 CO -0.02 0.07 -0.49 1.23 0.00 0.00 0.00 178.15 178.94 1o3s h GLY 173 N 0.23 0.81 1.67 5.37 0.00 0.12 -2.20 103.07 109.07 1o3s h GLY 173 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1o3s h GLY 173 CO 0.00 0.80 0.00 -1.06 0.00 0.00 0.00 176.54 176.29 1o3s n GLN 174 N -4.01 0.29 -0.13 4.80 6.02 0.08 -1.16 117.38 123.27 1o3s n GLN 174 Ca -0.03 0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1o3s n GLN 174 Cb 0.58 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.25 1o3s n GLN 174 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1o3s n ILE 175 N -1.34 1.44 1.10 5.09 5.41 0.67 0.19 119.36 131.93 1o3s n ILE 175 Ca 0.11 -0.40 0.13 0.00 1.00 0.00 0.00 62.75 63.59 1o3s n ILE 175 Cb 0.24 -1.76 0.34 0.00 -0.71 0.00 0.00 39.64 37.75 1o3s n ILE 175 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1o3s n VAL 176 N -3.99 0.00 -1.93 1.39 0.24 -0.84 -4.80 118.33 108.39 1o3s n VAL 176 Ca -0.50 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1o3s n VAL 176 Cb 0.89 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 1o3s n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1o3s n GLY 177 N 1.44 0.83 0.00 7.63 0.00 -0.31 -4.97 105.19 109.79 1o3s n GLY 177 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1o3s n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o3s s SER 179 N 0.25 4.60 0.34 0.00 1.04 -1.26 -4.43 113.70 114.25 1o3s s SER 179 Ca 0.00 -0.34 0.15 0.00 0.48 0.00 0.00 55.95 56.24 1o3s s SER 179 Cb 0.00 -0.95 1.12 0.00 0.10 0.00 0.00 66.02 66.29 1o3s s SER 179 CO 0.00 0.16 1.62 -0.09 0.98 0.00 0.00 173.24 175.92 1o3s h ARG 180 N 3.43 0.16 -0.53 4.02 2.43 -1.86 0.68 114.38 122.72 1o3s h ARG 180 Ca -0.48 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1o3s h ARG 180 Cb 1.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1o3s h ARG 180 CO 0.55 0.11 0.10 -0.44 -1.51 0.00 0.00 179.97 178.77 1o3s h ASP 181 N 0.17 0.77 0.39 -3.80 3.32 -1.94 -2.18 116.42 113.15 1o3s h ASP 181 Ca 0.75 -0.15 -0.27 0.00 0.02 0.00 0.00 57.03 57.38 1o3s h ASP 181 Cb 1.80 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 41.16 1o3s h ASP 181 CO -0.70 0.77 -1.16 0.74 -1.72 0.00 0.00 179.24 177.18 1o3s h THR 182 N 0.78 1.40 0.41 0.35 2.02 -0.09 -2.80 112.91 114.99 1o3s h THR 182 Ca 0.17 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.66 1o3s h THR 182 Cb 0.33 2.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 1o3s h THR 182 CO 0.00 0.80 -0.49 0.58 0.37 0.00 0.00 175.52 176.78 1o3s h VAL 183 N 0.18 0.00 -0.54 3.16 2.07 -1.03 -0.03 116.25 120.06 1o3s h VAL 183 Ca -0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.49 1o3s h VAL 183 Cb 1.84 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.50 1o3s h VAL 183 CO 0.20 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.89 1o3s h GLY 184 N -0.92 0.39 0.67 2.17 0.00 -1.48 0.54 103.07 104.44 1o3s h GLY 184 Ca -0.05 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1o3s h GLY 184 CO -0.11 -0.20 0.19 3.21 0.00 0.00 0.00 176.54 179.63 1o3s h ARG 185 N -0.00 0.38 -0.83 4.80 2.47 -1.25 -0.89 114.38 119.06 1o3s h ARG 185 Ca 0.26 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1o3s h ARG 185 Cb 0.39 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 1o3s h ARG 185 CO -0.55 0.25 0.39 0.82 0.56 0.00 0.00 179.97 181.44 1o3s h ILE 186 N 0.39 1.26 -0.62 2.04 1.08 0.79 -2.53 117.51 119.92 1o3s h ILE 186 Ca 0.21 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1o3s h ILE 186 Cb 0.16 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.08 1o3s h ILE 186 CO -0.18 0.31 0.21 0.25 -0.69 0.00 0.00 178.15 178.05 1o3s h LEU 187 N 1.18 0.85 -0.49 1.44 5.85 0.82 -1.46 115.31 123.50 1o3s h LEU 187 Ca 0.28 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1o3s h LEU 187 Cb 0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1o3s h LEU 187 CO -0.04 0.79 0.04 0.11 -0.34 0.00 0.00 178.44 179.00 1o3s h LYS 188 N 0.90 0.83 -0.08 1.25 6.56 -0.77 -2.72 116.57 122.54 1o3s h LYS 188 Ca 0.21 -0.25 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1o3s h LYS 188 Cb 0.24 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 1o3s h LYS 188 CO -0.01 0.86 -0.05 0.52 -2.06 0.00 0.00 179.45 178.70 1o3s h MET 189 N 0.70 -0.06 -0.42 3.15 2.86 -1.19 0.62 114.93 120.59 1o3s h MET 189 Ca 0.14 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1o3s h MET 189 Cb 0.46 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1o3s h MET 189 CO 0.02 -0.04 0.28 -0.07 1.06 0.00 0.00 176.91 178.16 1o3s h LEU 190 N -0.06 0.33 0.03 1.22 3.38 -1.24 0.22 115.31 119.18 1o3s h LEU 190 Ca 0.05 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1o3s h LEU 190 Cb 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1o3s h LEU 190 CO -0.11 0.22 -0.40 -0.08 0.09 0.00 0.00 178.44 178.16 1o3s h GLU 191 N 0.38 0.22 -0.73 1.13 4.81 -1.09 0.24 114.58 119.54 1o3s h GLU 191 Ca 0.18 -0.27 0.21 0.00 -0.13 0.00 0.00 59.36 59.35 1o3s h GLU 191 Cb 0.24 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1o3s h GLU 191 CO -0.04 1.03 0.81 0.22 -0.73 0.00 0.00 179.01 180.30 1o3s h ASP 192 N -0.46 0.00 -0.69 1.04 3.58 0.17 1.78 116.42 121.83 1o3s h ASP 192 Ca -0.06 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.04 1o3s h ASP 192 Cb 1.19 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.03 1o3s h ASP 192 CO 0.08 0.00 0.30 0.00 -2.88 0.00 0.00 179.24 176.74 1o3s n GLN 193 N -3.51 2.10 -3.08 0.28 6.02 0.62 -4.94 117.38 114.88 1o3s n GLN 193 Ca 0.15 -3.10 -0.14 0.00 -0.01 0.00 0.00 57.00 53.91 1o3s n GLN 193 Cb 1.06 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1o3s n GLN 193 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1o3s n ASN 194 N -1.11 -1.22 -0.02 1.08 3.02 0.61 -4.72 115.26 112.89 1o3s n ASN 194 Ca 0.47 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.77 1o3s n ASN 194 Cb 1.37 -1.15 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 1o3s n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1o3s n LEU 195 N -2.89 2.05 0.00 3.41 4.77 0.78 -4.95 117.00 120.18 1o3s n LEU 195 Ca 0.04 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1o3s n LEU 195 Cb 0.46 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1o3s n LEU 195 CO 0.31 0.72 -0.05 2.30 -1.33 0.00 0.00 177.39 179.34 1o3s n ILE 196 N -3.30 0.00 -3.50 -0.08 -5.35 -0.90 -3.02 119.36 103.22 1o3s n ILE 196 Ca -0.29 -1.34 -0.12 0.00 -0.27 0.00 0.00 62.75 60.73 1o3s n ILE 196 Cb 1.05 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 39.52 1o3s n ILE 196 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1o3s s SER 197 N -2.29 0.43 -0.02 7.28 0.15 -1.07 -4.12 113.70 114.05 1o3s s SER 197 Ca 0.22 0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.27 1o3s s SER 197 Cb 0.01 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.21 1o3s s SER 197 CO 0.16 -0.28 -0.23 0.00 1.20 0.00 0.00 173.24 174.09 1o3s s ALA 198 N 2.48 1.90 -0.25 5.45 0.00 -1.26 -1.58 121.76 128.51 1o3s s ALA 198 Ca 0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 1o3s s ALA 198 Cb -0.14 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.55 1o3s s ALA 198 CO -0.13 0.44 0.10 -1.01 0.00 0.00 0.00 175.76 175.16 1o3s s HIS 199 N -0.44 0.60 0.00 0.00 3.76 -0.28 -5.02 115.29 113.90 1o3s s HIS 199 Ca 0.06 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1o3s s HIS 199 Cb -0.10 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.61 1o3s s HIS 199 CO -0.00 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 1o3s n GLY 200 N 5.17 3.53 0.03 -2.22 0.00 -1.26 -1.34 105.19 109.10 1o3s n GLY 200 Ca -0.06 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1o3s n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o3s n LYS 201 N 13.94 0.59 -3.66 1.61 5.02 -1.26 -4.80 118.16 129.59 1o3s n LYS 201 Ca 0.00 -0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1o3s n LYS 201 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 1o3s n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1o3s s THR 202 N -2.46 5.35 -0.02 -0.18 2.01 -0.45 -0.34 115.64 119.55 1o3s s THR 202 Ca 0.32 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 1o3s s THR 202 Cb 0.20 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1o3s s THR 202 CO 0.45 0.47 0.03 -0.63 -0.69 0.00 0.00 174.62 174.25 1o3s s ILE 203 N -0.01 -0.04 -0.26 1.82 1.01 -0.64 -1.13 121.20 121.96 1o3s s ILE 203 Ca 0.14 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 1o3s s ILE 203 Cb -0.13 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1o3s s ILE 203 CO 0.03 0.10 0.10 -0.69 0.00 0.00 0.00 174.94 174.49 1o3s s VAL 204 N 1.17 4.58 -0.42 2.92 1.01 -0.61 -0.08 120.40 128.96 1o3s s VAL 204 Ca -0.08 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1o3s s VAL 204 Cb -0.13 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1o3s s VAL 204 CO -0.03 0.32 0.58 -0.69 0.00 0.00 0.00 175.10 175.28 1o3s s VAL 205 N 1.65 4.91 0.44 2.92 1.01 0.40 -2.59 120.40 129.15 1o3s s VAL 205 Ca 0.07 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1o3s s VAL 205 Cb -0.15 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1o3s s VAL 205 CO 0.06 -0.52 1.29 -0.31 0.00 0.00 0.00 175.10 175.62 1o3s s TYR 206 N 2.61 2.72 0.00 5.22 2.02 -1.17 -1.76 117.35 126.99 1o3s s TYR 206 Ca 0.20 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.32 1o3s s TYR 206 Cb -0.15 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 1o3s s TYR 206 CO 0.17 -2.15 0.00 0.41 -1.57 0.00 0.00 175.55 172.41