#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyd h THR 10 N 0.00 1.30 -0.70 0.52 2.02 -1.99 -2.90 112.91 111.16 3iyd h THR 10 Ca 0.00 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 3iyd h THR 10 Cb 0.00 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3iyd h THR 10 CO 0.00 0.44 0.38 0.25 0.37 0.00 0.00 175.52 176.96 3iyd h LEU 11 N 0.27 0.88 -1.30 2.58 6.46 -2.00 -1.92 115.31 120.28 3iyd h LEU 11 Ca 0.03 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.62 3iyd h LEU 11 Cb 0.79 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3iyd h LEU 11 CO 0.06 0.72 -0.33 -0.33 -0.62 0.00 0.00 178.44 177.95 3iyd h GLU 12 N 0.96 0.03 0.00 1.25 4.39 -1.97 -1.51 114.58 117.73 3iyd h GLU 12 Ca 0.25 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3iyd h GLU 12 Cb 0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3iyd h GLU 12 CO -0.04 0.36 0.00 1.87 -1.16 0.00 0.00 179.01 180.04 3iyd n TRP 13 N -4.14 0.71 0.00 4.33 -0.00 -0.78 -2.97 117.44 114.60 3iyd n TRP 13 Ca -0.02 0.25 -0.14 0.00 -0.00 0.00 0.00 57.50 57.58 3iyd n TRP 13 Cb 0.38 -0.90 -0.14 0.00 -0.00 0.00 0.00 31.31 30.65 3iyd n TRP 13 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 3iyd h PHE 14 N 0.00 0.25 0.00 5.87 3.04 -0.69 -3.34 116.94 122.06 3iyd h PHE 14 Ca 0.00 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.77 3iyd h PHE 14 Cb 0.49 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.99 3iyd h PHE 14 CO 0.00 1.34 0.00 1.28 -2.02 0.00 0.00 178.31 178.91 3iyd n LEU 15 N -3.27 0.00 0.02 0.59 4.77 -1.01 -3.10 117.00 114.99 3iyd n LEU 15 Ca -0.22 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.12 3iyd n LEU 15 Cb 1.05 -0.22 0.57 0.00 -2.33 0.00 0.00 43.42 42.48 3iyd n LEU 15 CO 0.45 -0.01 0.94 -1.54 -1.33 0.00 0.00 177.39 175.90 3iyd n SER 16 N -1.22 0.15 -0.73 -1.43 3.41 -1.18 -3.38 113.62 109.23 3iyd n SER 16 Ca 0.16 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 3iyd n SER 16 Cb 0.21 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3iyd n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3iyd n HIS 17 N -1.65 0.00 -2.81 7.33 8.25 -1.18 -5.08 115.22 120.08 3iyd n HIS 17 Ca 0.07 -0.91 -0.19 0.00 -0.26 0.00 0.00 57.72 56.42 3iyd n HIS 17 Cb 0.35 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.31 3iyd n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iyd s HIS 19 N -2.57 2.43 0.04 0.00 5.65 -1.10 -4.87 115.29 114.87 3iyd s HIS 19 Ca 0.56 -2.41 -0.32 0.00 0.25 0.00 0.00 55.06 53.13 3iyd s HIS 19 Cb -0.10 -2.17 -0.11 0.00 -1.18 0.00 0.00 32.58 29.01 3iyd s HIS 19 CO 0.36 -0.85 1.83 -0.89 -0.65 0.00 0.00 174.74 174.55 3iyd n ILE 20 N 4.09 0.45 -3.31 0.89 5.41 -1.26 -3.33 119.36 122.29 3iyd n ILE 20 Ca 0.04 -0.08 -0.07 0.00 1.00 0.00 0.00 62.75 63.63 3iyd n ILE 20 Cb 0.38 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.27 3iyd n ILE 20 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3iyd s HIS 21 N 3.17 -0.98 0.34 1.39 2.46 -1.21 -5.04 115.29 115.42 3iyd s HIS 21 Ca 0.86 0.82 -0.27 0.00 0.47 0.00 0.00 55.06 56.94 3iyd s HIS 21 Cb -0.58 0.05 -0.09 0.00 -0.13 0.00 0.00 32.58 31.83 3iyd s HIS 21 CO 0.43 -0.81 1.14 0.15 -2.47 0.00 0.00 174.74 173.18 3iyd s LYS 22 N 2.59 4.36 -0.19 2.88 1.02 -1.26 -3.82 119.74 125.32 3iyd s LYS 22 Ca 0.13 1.82 0.01 0.00 0.02 0.00 0.00 55.97 57.95 3iyd s LYS 22 Cb -0.15 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 3iyd s LYS 22 CO -0.20 -0.04 -0.18 0.71 -0.92 0.00 0.00 175.35 174.71 3iyd s TYR 23 N -1.31 2.79 1.20 3.18 2.02 -1.17 -5.01 117.35 119.06 3iyd s TYR 23 Ca 0.51 -1.70 -0.15 0.00 -0.37 0.00 0.00 57.07 55.36 3iyd s TYR 23 Cb -0.31 -1.90 0.27 0.00 -0.40 0.00 0.00 41.96 39.62 3iyd s TYR 23 CO 0.40 -0.81 0.79 -0.35 -1.57 0.00 0.00 175.55 174.01 3iyd n PRO 24 N 4.61 -2.59 -1.91 -1.71 -0.04 -1.26 -3.72 135.00 128.37 3iyd n PRO 24 Ca -0.20 -0.73 -0.33 0.00 -0.04 0.00 0.00 63.50 62.19 3iyd n PRO 24 Cb 0.49 -2.04 0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3iyd n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3iyd s SER 25 N -2.29 5.38 -1.47 3.54 0.15 -1.26 -3.48 113.70 114.27 3iyd s SER 25 Ca 0.66 1.99 -0.07 0.00 0.70 0.00 0.00 55.95 59.23 3iyd s SER 25 Cb -0.22 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3iyd s SER 25 CO 0.65 -1.45 0.61 0.29 1.20 0.00 0.00 173.24 174.55 3iyd n LYS 26 N -2.13 -4.62 -0.51 5.44 5.02 -0.89 -4.98 118.16 115.49 3iyd n LYS 26 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 3iyd n LYS 26 Cb 0.52 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 3iyd n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3iyd n SER 27 N -2.49 0.00 -3.60 4.39 3.41 -1.23 -4.92 113.62 109.18 3iyd n SER 27 Ca -0.07 -0.65 -0.29 0.00 -0.26 0.00 0.00 58.87 57.59 3iyd n SER 27 Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 3iyd n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3iyd s THR 28 N 0.91 0.27 -0.04 6.66 2.01 -1.26 -3.76 115.64 120.43 3iyd s THR 28 Ca 0.00 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 60.99 3iyd s THR 28 Cb 0.00 -1.23 -0.25 0.00 0.01 0.00 0.00 72.50 71.03 3iyd s THR 28 CO 0.00 -0.72 0.69 -0.07 -0.69 0.00 0.00 174.62 173.83 3iyd h LEU 29 N 8.24 0.24 -7.75 4.42 4.07 -1.97 -3.45 115.31 119.11 3iyd h LEU 29 Ca -0.17 -0.43 -0.55 0.00 0.08 0.00 0.00 57.88 56.82 3iyd h LEU 29 Cb 1.01 -0.08 -0.37 0.00 1.08 0.00 0.00 40.66 42.30 3iyd h LEU 29 CO 0.45 1.37 -0.81 -0.63 -1.08 0.00 0.00 178.44 177.74 3iyd s ILE 30 N -2.60 1.16 -0.26 1.22 -1.09 -1.24 -5.07 121.20 113.33 3iyd s ILE 30 Ca -0.10 -0.37 -0.05 0.00 -2.23 0.00 0.00 60.65 57.90 3iyd s ILE 30 Cb 0.07 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 3iyd s ILE 30 CO 0.82 0.39 0.01 -2.28 -1.23 0.00 0.00 174.94 172.65 3iyd s HIS 31 N 1.66 3.06 -0.37 3.97 5.65 -1.26 -3.47 115.29 124.53 3iyd s HIS 31 Ca 0.05 -1.06 -0.28 0.00 0.25 0.00 0.00 55.06 54.02 3iyd s HIS 31 Cb -0.13 -2.16 -0.04 0.00 -1.18 0.00 0.00 32.58 29.08 3iyd s HIS 31 CO -0.09 -0.59 2.02 -1.14 -0.65 0.00 0.00 174.74 174.30 3iyd s GLN 32 N 1.46 2.97 0.00 2.88 0.74 -1.26 -2.31 119.66 124.13 3iyd s GLN 32 Ca 0.03 1.46 0.00 0.00 0.05 0.00 0.00 55.36 56.91 3iyd s GLN 32 Cb -0.16 -4.34 0.00 0.00 1.10 0.00 0.00 33.01 29.61 3iyd s GLN 32 CO -0.01 -2.29 0.00 0.41 -0.55 0.00 0.00 175.29 172.85 3iyd n GLY 33 N 5.65 1.24 3.40 2.59 0.00 -1.26 -5.00 105.19 111.81 3iyd n GLY 33 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 3iyd n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iyd n GLU 34 N 0.00 -0.90 -3.64 1.61 1.02 -0.98 -4.93 120.64 112.82 3iyd n GLU 34 Ca 0.00 -1.94 -0.37 0.00 -0.02 0.00 0.00 57.16 54.84 3iyd n GLU 34 Cb 0.00 -1.07 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 3iyd n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3iyd s LYS 35 N -5.39 3.97 -0.67 3.49 1.02 -1.26 -4.03 119.74 116.87 3iyd s LYS 35 Ca 0.65 0.07 -0.27 0.00 0.02 0.00 0.00 55.97 56.43 3iyd s LYS 35 Cb -0.02 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3iyd s LYS 35 CO 0.45 0.48 1.23 0.00 -0.92 0.00 0.00 175.35 176.58 3iyd s ALA 36 N -0.24 2.87 -0.04 5.17 0.00 -1.26 -4.76 121.76 123.51 3iyd s ALA 36 Ca 0.17 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3iyd s ALA 36 Cb -0.13 -4.15 0.08 0.00 0.00 0.00 0.00 23.12 18.92 3iyd s ALA 36 CO 0.05 -3.00 1.01 0.39 0.00 0.00 0.00 175.76 174.22 3iyd n GLU 37 N 8.91 0.45 -3.67 0.00 1.02 -1.26 -4.91 120.64 121.17 3iyd n GLU 37 Ca 0.05 -1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 55.65 3iyd n GLU 37 Cb 0.49 -0.80 -0.11 0.00 -0.02 0.00 0.00 31.44 31.00 3iyd n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iyd s THR 38 N -0.86 -0.37 -0.03 2.62 2.01 -1.26 -4.05 115.64 113.70 3iyd s THR 38 Ca 0.09 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 3iyd s THR 38 Cb 0.08 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 3iyd s THR 38 CO 0.01 0.06 0.57 -0.22 -0.69 0.00 0.00 174.62 174.35 3iyd s LEU 39 N 2.09 4.38 0.02 4.42 0.20 0.74 -4.88 118.68 125.66 3iyd s LEU 39 Ca -0.05 1.08 0.04 0.00 0.69 0.00 0.00 54.13 55.89 3iyd s LEU 39 Cb -0.11 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 3iyd s LEU 39 CO -0.12 0.08 -0.07 -0.31 -0.29 0.00 0.00 176.35 175.64 3iyd s TYR 40 N -0.00 2.88 -0.02 5.38 1.51 -1.10 -2.34 117.35 123.66 3iyd s TYR 40 Ca 0.30 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.32 3iyd s TYR 40 Cb -0.17 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 3iyd s TYR 40 CO 0.16 0.38 -0.02 -0.47 -1.11 0.00 0.00 175.55 174.49 3iyd s TYR 41 N -1.03 0.31 -0.05 2.71 5.04 -1.25 -1.19 117.35 121.89 3iyd s TYR 41 Ca 0.18 -0.04 -0.21 0.00 -2.44 0.00 0.00 57.07 54.56 3iyd s TYR 41 Cb -0.11 -0.30 -0.04 0.00 0.35 0.00 0.00 41.96 41.85 3iyd s TYR 41 CO 0.09 -0.07 0.62 0.42 -1.34 0.00 0.00 175.55 175.27 3iyd s ILE 42 N 0.45 5.01 -0.15 3.14 1.01 -0.15 -2.68 121.20 127.83 3iyd s ILE 42 Ca -0.04 1.28 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 3iyd s ILE 42 Cb -0.07 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3iyd s ILE 42 CO -0.01 0.34 -0.24 0.52 0.00 0.00 0.00 174.94 175.55 3iyd n VAL 43 N 3.30 1.18 -4.02 2.92 0.31 -0.99 -3.02 118.33 118.00 3iyd n VAL 43 Ca -0.05 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 3iyd n VAL 43 Cb 0.51 -1.89 -0.12 0.00 -0.91 0.00 0.00 33.84 31.44 3iyd n VAL 43 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iyd s LYS 44 N -2.45 0.40 0.30 5.55 1.02 -1.26 -4.47 119.74 118.83 3iyd s LYS 44 Ca -0.23 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.13 3iyd s LYS 44 Cb 0.07 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 3iyd s LYS 44 CO 0.31 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3iyd n GLY 45 N 1.69 -0.92 3.31 -3.33 0.00 -1.26 -3.48 105.19 101.19 3iyd n GLY 45 Ca -0.22 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 3iyd n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iyd s SER 46 N -4.00 -0.21 0.02 1.61 0.15 -1.26 -2.71 113.70 107.29 3iyd s SER 46 Ca 0.00 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.38 3iyd s SER 46 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3iyd s SER 46 CO 0.00 -0.77 0.04 0.54 1.20 0.00 0.00 173.24 174.25 3iyd s VAL 47 N -3.34 0.11 0.07 4.45 0.11 -0.74 -3.52 120.40 117.53 3iyd s VAL 47 Ca 0.00 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.26 3iyd s VAL 47 Cb 0.01 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3iyd s VAL 47 CO -0.09 -0.48 -0.22 0.00 -3.33 0.00 0.00 175.10 170.98 3iyd s ALA 48 N -1.60 2.48 -0.08 1.54 0.00 -1.22 -2.65 121.76 120.23 3iyd s ALA 48 Ca -0.14 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.55 3iyd s ALA 48 Cb -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3iyd s ALA 48 CO -0.01 0.56 -0.13 0.08 0.00 0.00 0.00 175.76 176.26 3iyd s VAL 49 N -0.96 1.26 0.23 0.00 1.01 -1.26 -3.02 120.40 117.66 3iyd s VAL 49 Ca 0.14 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3iyd s VAL 49 Cb -0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3iyd s VAL 49 CO 0.05 0.39 0.39 -1.48 0.00 0.00 0.00 175.10 174.45 3iyd s LEU 50 N 0.80 0.53 0.44 3.92 0.05 -1.11 -3.32 118.68 120.00 3iyd s LEU 50 Ca -0.12 -1.01 0.03 0.00 0.05 0.00 0.00 54.13 53.08 3iyd s LEU 50 Cb -0.15 1.44 -0.03 0.00 -2.05 0.00 0.00 46.19 45.40 3iyd s LEU 50 CO 0.02 -1.06 0.06 0.27 -0.55 0.00 0.00 176.35 175.09 3iyd s ILE 51 N -4.04 1.02 0.09 1.48 -4.36 -0.81 -2.74 121.20 111.84 3iyd s ILE 51 Ca 0.25 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 3iyd s ILE 51 Cb 0.01 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 3iyd s ILE 51 CO 0.09 0.00 -0.07 -0.54 0.24 0.00 0.00 174.94 174.65 3iyd s LYS 52 N -3.80 0.79 0.00 0.37 1.02 -1.26 -1.77 119.74 115.09 3iyd s LYS 52 Ca 0.19 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.96 3iyd s LYS 52 Cb 0.04 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 3iyd s LYS 52 CO 0.10 0.01 0.00 -0.40 -0.92 0.00 0.00 175.35 174.14 3iyd n ASP 53 N 0.28 0.00 0.01 2.83 3.85 -1.17 -5.03 116.55 117.32 3iyd n ASP 53 Ca -0.14 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.00 3iyd n ASP 53 Cb 0.59 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.25 3iyd n ASP 53 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3iyd n GLU 54 N 0.00 0.64 0.00 0.11 0.00 -1.26 -4.71 120.64 115.42 3iyd n GLU 54 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.14 3iyd n GLU 54 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 29.79 3iyd n GLU 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3iyd n GLU 55 N -2.54 0.00 0.00 3.44 4.71 -1.26 -5.03 120.64 119.96 3iyd n GLU 55 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 3iyd n GLU 55 Cb 0.69 -0.30 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 3iyd n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iyd n GLY 56 N 2.56 0.08 3.72 0.62 0.00 -1.26 -5.14 105.19 105.77 3iyd n GLY 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iyd n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iyd s LYS 57 N 0.00 4.46 0.72 1.61 2.20 -1.26 -4.89 119.74 122.58 3iyd s LYS 57 Ca 0.00 1.80 -0.05 0.00 -0.36 0.00 0.00 55.97 57.36 3iyd s LYS 57 Cb 0.00 -3.31 0.10 0.00 -1.51 0.00 0.00 37.83 33.11 3iyd s LYS 57 CO 0.00 -0.19 1.02 -1.21 -0.36 0.00 0.00 175.35 174.61 3iyd s GLU 58 N 0.60 1.87 -0.32 4.03 2.02 -1.26 -3.06 118.70 122.57 3iyd s GLU 58 Ca 0.57 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 55.01 3iyd s GLU 58 Cb -0.31 -2.22 0.19 0.00 0.10 0.00 0.00 34.13 31.90 3iyd s GLU 58 CO 0.32 -1.39 0.61 1.41 0.02 0.00 0.00 175.26 176.22 3iyd s MET 59 N -5.24 0.62 -0.11 1.61 1.75 -0.73 -4.96 119.30 112.25 3iyd s MET 59 Ca 0.63 0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 55.12 3iyd s MET 59 Cb -0.08 0.21 -0.01 0.00 2.84 0.00 0.00 34.83 37.78 3iyd s MET 59 CO 0.45 -1.07 1.06 0.42 -0.65 0.00 0.00 175.02 175.22 3iyd s ILE 60 N 2.58 4.65 -0.13 10.11 1.01 -1.26 -1.93 121.20 136.23 3iyd s ILE 60 Ca 0.12 1.93 -0.12 0.00 0.00 0.00 0.00 60.65 62.58 3iyd s ILE 60 Cb -0.08 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 3iyd s ILE 60 CO -0.21 -0.02 0.17 -0.07 0.00 0.00 0.00 174.94 174.81 3iyd h LEU 61 N 8.23 0.00 -7.25 2.97 -0.00 -1.91 -3.44 115.31 113.90 3iyd h LEU 61 Ca -0.30 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.88 57.18 3iyd h LEU 61 Cb 1.14 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.60 3iyd h LEU 61 CO 0.88 0.80 -0.06 -0.55 -0.00 0.00 0.00 178.44 179.50 3iyd s SER 62 N -5.91 -0.44 0.13 -0.43 0.15 -1.26 -5.06 113.70 100.89 3iyd s SER 62 Ca -0.11 0.51 -0.08 0.00 0.70 0.00 0.00 55.95 56.97 3iyd s SER 62 Cb 0.00 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.79 3iyd s SER 62 CO 0.28 -0.46 0.42 -0.31 1.20 0.00 0.00 173.24 174.38 3iyd s TYR 63 N -0.98 3.51 -0.20 3.44 1.51 -1.26 -4.08 117.35 119.29 3iyd s TYR 63 Ca -0.10 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 3iyd s TYR 63 Cb -0.03 -2.13 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 3iyd s TYR 63 CO 0.06 0.43 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.36 3iyd s LEU 64 N -2.38 2.12 0.00 -1.29 1.43 -1.08 -5.05 118.68 112.43 3iyd s LEU 64 Ca 0.39 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3iyd s LEU 64 Cb -0.13 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.02 3iyd s LEU 64 CO 0.21 -0.20 0.00 0.59 0.23 0.00 0.00 176.35 177.18 3iyd n ASN 65 N 4.76 0.00 -4.76 2.29 5.03 -1.26 -1.80 115.26 119.53 3iyd n ASN 65 Ca -0.12 -0.44 -0.36 0.00 0.87 0.00 0.00 54.58 54.52 3iyd n ASN 65 Cb 0.46 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3iyd n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iyd s GLN 66 N 0.01 3.11 0.00 3.52 -2.07 -1.10 -3.16 119.66 119.97 3iyd s GLN 66 Ca 0.00 1.86 0.00 0.00 -1.82 0.00 0.00 55.36 55.40 3iyd s GLN 66 Cb 0.00 -2.03 0.00 0.00 -1.09 0.00 0.00 33.01 29.89 3iyd s GLN 66 CO 0.00 -1.11 0.00 0.41 -1.32 0.00 0.00 175.29 173.27 3iyd n GLY 67 N 0.52 0.62 3.75 2.60 0.00 -1.17 -5.04 105.19 106.47 3iyd n GLY 67 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3iyd n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyd s ASP 68 N -2.06 4.66 0.08 1.61 -0.00 -1.19 -4.95 116.67 114.83 3iyd s ASP 68 Ca 0.00 -0.84 0.03 0.00 -0.00 0.00 0.00 52.55 51.73 3iyd s ASP 68 Cb 0.00 -0.65 -0.04 0.00 -0.00 0.00 0.00 42.92 42.23 3iyd s ASP 68 CO 0.00 -0.40 0.10 -0.36 -0.00 0.00 0.00 175.17 174.51 3iyd s PHE 69 N -2.47 3.23 -0.19 4.23 0.08 -1.26 -0.98 117.98 120.62 3iyd s PHE 69 Ca 0.40 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.54 3iyd s PHE 69 Cb -0.01 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 3iyd s PHE 69 CO 0.23 0.53 -0.15 0.42 -0.10 0.00 0.00 175.22 176.15 3iyd s ILE 70 N -1.42 2.48 -0.39 0.64 1.01 -0.34 -4.83 121.20 118.36 3iyd s ILE 70 Ca 0.30 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3iyd s ILE 70 Cb -0.12 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.28 3iyd s ILE 70 CO 0.23 0.50 0.45 0.61 0.00 0.00 0.00 174.94 176.74 3iyd n GLY 71 N 4.65 -1.08 0.00 6.18 0.00 -1.26 -2.71 105.19 110.97 3iyd n GLY 71 Ca -0.20 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3iyd n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iyd n GLU 72 N -0.79 0.11 0.15 1.61 0.00 -1.26 -4.45 120.64 116.01 3iyd n GLU 72 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 57.16 56.53 3iyd n GLU 72 Cb 0.39 -0.95 0.13 0.00 0.00 0.00 0.00 31.44 31.01 3iyd n GLU 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3iyd h LEU 73 N 0.00 0.00 -3.65 -1.84 3.38 -2.00 -3.25 115.31 107.95 3iyd h LEU 73 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3iyd h LEU 73 Cb 0.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.76 3iyd h LEU 73 CO 0.00 0.48 0.54 0.61 0.09 0.00 0.00 178.44 180.16 3iyd n GLY 74 N 0.90 4.57 0.21 0.83 0.00 -1.26 -4.11 105.19 106.34 3iyd n GLY 74 Ca 0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.58 3iyd n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iyd n LEU 75 N 0.04 2.37 0.13 0.99 7.94 -1.23 -4.80 117.00 122.44 3iyd n LEU 75 Ca 0.39 -0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.15 3iyd n LEU 75 Cb 0.59 -0.05 -0.08 0.00 0.53 0.00 0.00 43.42 44.41 3iyd n LEU 75 CO 0.49 0.42 0.71 -0.26 -1.11 0.00 0.00 177.39 177.64 3iyd h PHE 76 N -0.01 -0.27 -3.62 1.96 0.04 -1.79 -3.40 116.94 109.85 3iyd h PHE 76 Ca -0.04 -0.01 -0.69 0.00 2.80 0.00 0.00 57.97 60.04 3iyd h PHE 76 Cb 1.05 0.09 -0.26 0.00 2.20 0.00 0.00 35.95 39.03 3iyd h PHE 76 CO 0.00 -0.06 -0.58 -2.00 -0.60 0.00 0.00 178.31 175.07 3iyd s GLU 77 N -5.53 2.93 0.10 1.51 2.12 -1.26 -5.07 118.70 113.50 3iyd s GLU 77 Ca -0.15 -0.98 -0.31 0.00 0.36 0.00 0.00 54.97 53.89 3iyd s GLU 77 Cb 0.04 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.84 3iyd s GLU 77 CO 0.63 -0.56 1.40 -2.00 -0.54 0.00 0.00 175.26 174.19 3iyd s GLU 78 N 1.50 4.31 0.00 4.30 -6.30 -1.26 -4.22 118.70 117.03 3iyd s GLU 78 Ca 0.02 2.08 0.00 0.00 -2.50 0.00 0.00 54.97 54.56 3iyd s GLU 78 Cb -0.18 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.66 3iyd s GLU 78 CO 0.04 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3iyd n GLY 79 N 3.53 0.75 3.46 -1.50 0.00 -1.26 -5.15 105.19 105.03 3iyd n GLY 79 Ca 0.12 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3iyd n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iyd s GLN 80 N -0.98 1.81 0.30 1.61 -0.21 -1.26 -5.16 119.66 115.77 3iyd s GLN 80 Ca 0.00 -2.07 0.06 0.00 0.02 0.00 0.00 55.36 53.37 3iyd s GLN 80 Cb 0.00 -0.54 -0.06 0.00 1.00 0.00 0.00 33.01 33.41 3iyd s GLN 80 CO 0.00 -0.42 -0.02 -1.21 -2.12 0.00 0.00 175.29 171.52 3iyd s GLU 81 N -3.77 1.61 0.03 2.91 2.02 -1.26 -4.06 118.70 116.19 3iyd s GLU 81 Ca 0.29 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.13 3iyd s GLU 81 Cb 0.04 -1.12 -0.07 0.00 0.10 0.00 0.00 34.13 33.08 3iyd s GLU 81 CO 0.15 -0.03 1.60 1.03 0.02 0.00 0.00 175.26 178.04 3iyd s ARG 82 N -3.77 4.21 0.00 1.61 1.81 -1.26 -4.94 118.95 116.62 3iyd s ARG 82 Ca 0.32 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 56.56 3iyd s ARG 82 Cb 0.06 -3.68 0.00 0.00 -0.45 0.00 0.00 34.95 30.88 3iyd s ARG 82 CO 0.13 -0.73 0.42 -1.13 -0.68 0.00 0.00 175.30 173.32 3iyd n SER 83 N 5.87 0.00 -4.82 0.23 3.41 -1.26 -4.32 113.62 112.73 3iyd n SER 83 Ca 0.16 0.69 -0.26 0.00 -0.26 0.00 0.00 58.87 59.19 3iyd n SER 83 Cb 0.42 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3iyd n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyd s ALA 84 N -3.01 4.05 0.20 7.33 0.00 -1.26 -4.94 121.76 124.13 3iyd s ALA 84 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 3iyd s ALA 84 Cb 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.51 3iyd s ALA 84 CO 0.00 -0.27 0.75 -1.58 0.00 0.00 0.00 175.76 174.67 3iyd s TRP 85 N -2.69 3.75 -0.32 0.00 0.52 -1.11 -4.57 118.94 114.52 3iyd s TRP 85 Ca 0.34 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.97 3iyd s TRP 85 Cb 0.00 -2.69 0.10 0.00 -1.15 0.00 0.00 33.47 29.73 3iyd s TRP 85 CO 0.20 0.40 0.08 0.08 0.02 0.00 0.00 176.95 177.73 3iyd s VAL 86 N -1.38 1.37 -0.15 4.03 1.01 -1.23 -2.73 120.40 121.31 3iyd s VAL 86 Ca 0.40 -1.73 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 3iyd s VAL 86 Cb -0.19 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3iyd s VAL 86 CO 0.23 -0.65 0.13 -0.60 0.00 0.00 0.00 175.10 174.21 3iyd s ARG 87 N 1.37 3.74 -0.32 2.72 3.52 -1.17 -3.64 118.95 125.17 3iyd s ARG 87 Ca 0.10 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.23 3iyd s ARG 87 Cb -0.18 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3iyd s ARG 87 CO -0.19 0.57 1.63 0.00 -0.81 0.00 0.00 175.30 176.50 3iyd s ALA 88 N -0.43 3.05 0.01 6.12 0.00 -1.25 -3.41 121.76 125.86 3iyd s ALA 88 Ca 0.12 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 3iyd s ALA 88 Cb -0.12 -3.94 -0.17 0.00 0.00 0.00 0.00 23.12 18.89 3iyd s ALA 88 CO 0.01 -2.35 1.31 -0.22 0.00 0.00 0.00 175.76 174.52 3iyd h LYS 89 N 11.58 -0.28 -5.01 0.00 3.64 -1.91 -2.36 116.57 122.22 3iyd h LYS 89 Ca -0.32 0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.54 3iyd h LYS 89 Cb 1.14 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 3iyd h LYS 89 CO 1.04 0.03 -0.51 0.95 -2.27 0.00 0.00 179.45 178.69 3iyd s THR 90 N -4.78 0.50 -0.30 1.00 -4.23 -1.23 -4.57 115.64 102.02 3iyd s THR 90 Ca -0.14 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.09 3iyd s THR 90 Cb 0.03 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 3iyd s THR 90 CO 0.59 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.68 3iyd s ALA 91 N -3.25 2.71 0.06 3.99 0.00 -1.26 -4.68 121.76 119.32 3iyd s ALA 91 Ca 0.26 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.71 3iyd s ALA 91 Cb 0.02 -4.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 3iyd s ALA 91 CO 0.16 -2.86 -0.17 0.00 0.00 0.00 0.00 175.76 172.90 3iyd s GLU 93 N -1.39 3.40 -0.03 0.00 2.12 -1.23 -3.02 118.70 118.56 3iyd s GLU 93 Ca 0.03 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.73 3iyd s GLU 93 Cb -0.09 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 3iyd s GLU 93 CO 0.02 -0.47 -0.24 0.08 -0.54 0.00 0.00 175.26 174.11 3iyd s VAL 94 N 1.69 2.18 0.76 3.70 1.01 -1.25 -2.36 120.40 126.14 3iyd s VAL 94 Ca 0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3iyd s VAL 94 Cb -0.18 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3iyd s VAL 94 CO 0.10 0.58 1.06 0.00 0.00 0.00 0.00 175.10 176.83 3iyd s ALA 95 N -0.56 3.18 -0.05 5.51 0.00 -1.09 -3.29 121.76 125.46 3iyd s ALA 95 Ca 0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 3iyd s ALA 95 Cb -0.11 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.63 3iyd s ALA 95 CO -0.00 -1.56 0.08 -1.21 0.00 0.00 0.00 175.76 173.07 3iyd s GLU 96 N -5.32 -0.04 -0.08 0.00 2.02 -1.21 -3.94 118.70 110.12 3iyd s GLU 96 Ca 0.65 0.40 -0.03 0.00 0.02 0.00 0.00 54.97 56.01 3iyd s GLU 96 Cb -0.07 -0.41 0.04 0.00 0.10 0.00 0.00 34.13 33.79 3iyd s GLU 96 CO 0.46 -0.30 0.11 0.42 0.02 0.00 0.00 175.26 175.98 3iyd s ILE 97 N 2.01 -0.18 0.53 -1.63 1.01 -0.99 -2.69 121.20 119.25 3iyd s ILE 97 Ca 0.02 0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 3iyd s ILE 97 Cb -0.12 -0.29 -0.06 0.00 0.01 0.00 0.00 42.46 42.00 3iyd s ILE 97 CO -0.04 0.09 1.36 -1.54 0.00 0.00 0.00 174.94 174.81 3iyd n SER 98 N 5.31 2.74 0.17 3.58 3.41 -1.26 -0.18 113.62 127.39 3iyd n SER 98 Ca -0.04 1.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.58 3iyd n SER 98 Cb 0.50 -1.58 0.34 0.00 -0.26 0.00 0.00 64.21 63.21 3iyd n SER 98 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3iyd h TYR 99 N 1.56 0.05 -0.17 7.33 -1.99 -1.91 -2.63 116.97 119.20 3iyd h TYR 99 Ca -0.51 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.21 3iyd h TYR 99 Cb 1.30 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 3iyd h TYR 99 CO 0.46 0.41 0.11 -0.22 -0.00 0.00 0.00 178.16 178.91 3iyd h LYS 100 N 0.04 0.24 0.00 4.88 3.64 -1.90 -1.58 116.57 121.88 3iyd h LYS 100 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3iyd h LYS 100 Cb 0.67 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3iyd h LYS 100 CO 0.05 0.20 0.00 1.63 -2.27 0.00 0.00 179.45 179.06 3iyd n LYS 101 N -4.94 0.12 0.10 1.90 5.02 -1.18 -3.37 118.16 115.82 3iyd n LYS 101 Ca -0.04 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 3iyd n LYS 101 Cb 0.05 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 33.25 3iyd n LYS 101 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3iyd h PHE 102 N 0.00 0.70 0.00 2.13 3.04 -1.02 -3.30 116.94 118.49 3iyd h PHE 102 Ca 0.00 -0.51 -0.04 0.00 3.98 0.00 0.00 57.97 61.40 3iyd h PHE 102 Cb 0.55 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3iyd h PHE 102 CO 0.00 1.49 -0.18 0.00 -2.02 0.00 0.00 178.31 177.60 3iyd h ARG 103 N 0.10 0.00 0.00 1.11 3.08 -1.32 -1.50 114.38 115.85 3iyd h ARG 103 Ca -0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3iyd h ARG 103 Cb 2.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 3iyd h ARG 103 CO 0.21 0.18 -0.11 1.96 -1.07 0.00 0.00 179.97 181.14 3iyd h GLN 104 N 0.00 0.00 0.00 0.04 4.20 -1.65 -2.91 115.11 114.79 3iyd h GLN 104 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3iyd h GLN 104 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3iyd h GLN 104 CO 0.02 0.11 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.82 3iyd h LEU 105 N 0.00 0.00 0.23 1.46 3.38 -1.35 -3.29 115.31 115.74 3iyd h LEU 105 Ca -0.00 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3iyd h LEU 105 Cb 0.79 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.57 3iyd h LEU 105 CO 0.01 0.00 -1.50 0.40 0.09 0.00 0.00 178.44 177.45 3iyd h ILE 106 N 0.00 1.25 0.00 1.22 2.04 -1.32 -1.48 117.51 119.23 3iyd h ILE 106 Ca 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 64.86 63.10 3iyd h ILE 106 Cb 0.98 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 40.05 3iyd h ILE 106 CO 0.00 0.83 -0.19 1.56 0.00 0.00 0.00 178.15 180.35 3iyd h GLN 107 N 0.13 0.00 0.00 2.37 4.20 -1.64 -1.59 115.11 118.58 3iyd h GLN 107 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3iyd h GLN 107 Cb 2.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.92 3iyd h GLN 107 CO 0.26 0.19 -1.65 1.33 -0.67 0.00 0.00 178.83 178.29 3iyd n VAL 108 N -3.80 0.01 -2.93 -0.54 0.24 -1.24 -4.78 118.33 105.30 3iyd n VAL 108 Ca -0.02 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 3iyd n VAL 108 Cb 0.29 0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 3iyd n VAL 108 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3iyd s ASN 109 N -4.04 -1.03 0.58 -1.34 2.47 -0.56 -5.00 114.94 106.03 3iyd s ASN 109 Ca -0.03 -1.74 0.38 0.00 0.42 0.00 0.00 52.86 51.90 3iyd s ASN 109 Cb 0.15 1.59 2.05 0.00 -1.45 0.00 0.00 41.25 43.59 3iyd s ASN 109 CO 0.89 -0.09 2.15 1.55 -3.72 0.00 0.00 177.10 177.88 3iyd h PRO 110 N 5.47 0.00 -0.17 0.43 0.13 -1.51 -2.40 132.00 133.95 3iyd h PRO 110 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3iyd h PRO 110 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3iyd h PRO 110 CO 0.07 0.00 0.05 0.22 -0.23 0.00 0.00 178.00 178.12 3iyd h ASP 111 N 0.00 0.20 0.22 1.44 -0.00 -1.91 -1.32 116.42 115.06 3iyd h ASP 111 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.03 56.95 3iyd h ASP 111 Cb 0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 3iyd h ASP 111 CO 0.00 0.20 -0.26 -0.29 -0.00 0.00 0.00 179.24 178.89 3iyd h ILE 112 N 0.23 1.21 0.00 2.25 -0.00 -1.76 -1.94 117.51 117.50 3iyd h ILE 112 Ca 0.06 -0.99 -0.05 0.00 -0.00 0.00 0.00 64.86 63.88 3iyd h ILE 112 Cb 0.07 1.48 -0.01 0.00 -0.00 0.00 0.00 36.82 38.36 3iyd h ILE 112 CO -0.01 0.29 -0.23 0.25 -0.00 0.00 0.00 178.15 178.46 3iyd h LEU 113 N 0.07 0.00 -1.04 2.19 5.85 -1.43 -3.15 115.31 117.79 3iyd h LEU 113 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iyd h LEU 113 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3iyd h LEU 113 CO 0.04 0.23 0.00 -0.03 -0.34 0.00 0.00 178.44 178.33 3iyd h MET 114 N 0.00 0.00 0.09 1.25 4.05 -0.99 -2.77 114.93 116.57 3iyd h MET 114 Ca -0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 3iyd h MET 114 Cb 1.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 3iyd h MET 114 CO 0.03 0.00 -1.40 0.00 0.23 0.00 0.00 176.91 175.77 3iyd h ARG 115 N 0.00 0.19 -0.20 0.39 2.47 -1.53 -3.27 114.38 112.42 3iyd h ARG 115 Ca 0.00 -0.32 -0.03 0.00 -1.26 0.00 0.00 59.98 58.37 3iyd h ARG 115 Cb 0.43 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3iyd h ARG 115 CO 0.00 1.15 0.01 1.25 0.56 0.00 0.00 179.97 182.94 3iyd h LEU 116 N -0.42 0.35 0.00 3.04 5.85 -1.63 -2.71 115.31 119.79 3iyd h LEU 116 Ca -0.32 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3iyd h LEU 116 Cb 1.67 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3iyd h LEU 116 CO 0.01 0.56 0.00 -1.20 -0.34 0.00 0.00 178.44 177.47 3iyd n SER 117 N -4.70 0.00 0.10 1.25 7.64 -1.05 -2.82 113.62 114.04 3iyd n SER 117 Ca -0.04 -0.42 -0.01 0.00 1.01 0.00 0.00 58.87 59.40 3iyd n SER 117 Cb 0.22 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 3iyd n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iyd h ALA 118 N 3.33 0.58 0.00 -0.43 0.00 -1.52 -3.26 119.26 117.96 3iyd h ALA 118 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3iyd h ALA 118 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iyd h ALA 118 CO 0.00 0.88 -0.58 1.04 0.00 0.00 0.00 179.25 180.59 3iyd n GLN 119 N -3.22 0.03 0.00 0.00 6.02 -1.13 -3.80 117.38 115.28 3iyd n GLN 119 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 3iyd n GLN 119 Cb 0.82 -1.52 0.69 0.00 1.02 0.00 0.00 30.24 31.25 3iyd n GLN 119 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3iyd n MET 120 N -1.56 0.36 0.05 -1.09 2.81 -1.23 -3.51 117.12 112.95 3iyd n MET 120 Ca 0.05 -0.04 -0.22 0.00 -1.81 0.00 0.00 57.70 55.69 3iyd n MET 120 Cb 0.35 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 3iyd n MET 120 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iyd h ALA 121 N 3.35 0.27 0.00 3.04 0.00 -1.72 -3.34 119.26 120.87 3iyd h ALA 121 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 54.91 53.56 3iyd h ALA 121 Cb 0.35 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3iyd h ALA 121 CO 0.00 1.15 -0.56 -0.09 0.00 0.00 0.00 179.25 179.75 3iyd h ARG 122 N 0.09 0.00 0.00 0.00 9.65 -1.77 -2.84 114.38 119.51 3iyd h ARG 122 Ca -0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3iyd h ARG 122 Cb 2.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.65 3iyd h ARG 122 CO 0.14 0.56 0.00 0.54 2.80 0.00 0.00 179.97 184.01 3iyd n ARG 123 N -3.72 0.04 -0.05 0.20 1.74 -1.23 -2.93 116.66 110.71 3iyd n ARG 123 Ca -0.01 0.17 0.01 0.00 -0.77 0.00 0.00 57.85 57.25 3iyd n ARG 123 Cb 0.59 -1.56 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 3iyd n ARG 123 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3iyd n LEU 124 N -1.63 0.00 0.08 0.55 7.94 -1.08 -4.23 117.00 118.61 3iyd n LEU 124 Ca 0.05 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.86 3iyd n LEU 124 Cb 0.26 0.23 -0.09 0.00 0.53 0.00 0.00 43.42 44.35 3iyd n LEU 124 CO 0.20 0.23 0.13 1.56 -1.11 0.00 0.00 177.39 178.40 3iyd h GLN 125 N 0.00 0.10 -0.01 1.96 4.20 -1.41 -2.51 115.11 117.45 3iyd h GLN 125 Ca -0.26 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3iyd h GLN 125 Cb 1.57 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.41 3iyd h GLN 125 CO 0.01 1.03 -0.02 1.33 -0.67 0.00 0.00 178.83 180.52 3iyd n VAL 126 N -3.47 0.00 -0.06 -0.54 0.24 -1.16 -3.14 118.33 110.20 3iyd n VAL 126 Ca -0.03 -0.09 -0.08 0.00 -2.04 0.00 0.00 64.34 62.10 3iyd n VAL 126 Cb 0.92 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 3iyd n VAL 126 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3iyd n THR 127 N -0.62 0.76 0.05 3.34 -1.04 -1.20 -4.28 114.28 111.29 3iyd n THR 127 Ca 0.21 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.05 61.80 3iyd n THR 127 Cb 0.22 -0.92 0.06 0.00 -1.82 0.00 0.00 70.33 67.86 3iyd n THR 127 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3iyd h SER 128 N 0.00 0.47 0.12 8.00 0.02 -1.54 -2.95 113.55 117.66 3iyd h SER 128 Ca -0.30 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3iyd h SER 128 Cb 1.50 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3iyd h SER 128 CO -0.03 1.00 -0.05 -0.62 -1.14 0.00 0.00 176.83 175.98 3iyd n GLU 129 N -3.88 1.15 -0.03 3.45 1.02 -1.19 -3.64 120.64 117.51 3iyd n GLU 129 Ca -0.04 -0.47 -0.10 0.00 -0.02 0.00 0.00 57.16 56.54 3iyd n GLU 129 Cb 0.66 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 3iyd n GLU 129 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3iyd n LYS 130 N -0.52 0.65 -0.33 3.49 3.00 -1.12 -4.24 118.16 119.09 3iyd n LYS 130 Ca 0.18 0.24 -0.03 0.00 -0.00 0.00 0.00 58.31 58.70 3iyd n LYS 130 Cb 0.27 -1.73 0.09 0.00 0.00 0.00 0.00 35.03 33.65 3iyd n LYS 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3iyd h VAL 131 N 0.01 1.24 -0.58 3.15 2.07 -1.61 -2.45 116.25 118.06 3iyd h VAL 131 Ca -0.35 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3iyd h VAL 131 Cb 2.06 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3iyd h VAL 131 CO 0.07 0.24 0.36 1.23 0.02 0.00 0.00 177.57 179.48 3iyd h GLY 132 N 1.21 0.84 2.00 2.17 0.00 -1.74 -1.14 103.07 106.40 3iyd h GLY 132 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3iyd h GLY 132 CO -0.07 0.32 0.00 0.70 0.00 0.00 0.00 176.54 177.50 3iyd n ASN 133 N -4.42 0.05 -2.22 0.19 5.03 -0.94 -3.39 115.26 109.56 3iyd n ASN 133 Ca 0.06 0.51 -0.31 0.00 0.87 0.00 0.00 54.58 55.70 3iyd n ASN 133 Cb 0.07 -0.52 0.07 0.00 -1.02 0.00 0.00 39.78 38.38 3iyd n ASN 133 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3iyd n LEU 134 N -1.55 6.92 0.00 3.41 4.77 -0.43 -3.58 117.00 126.54 3iyd n LEU 134 Ca 0.06 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 3iyd n LEU 134 Cb 0.29 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3iyd n LEU 134 CO 0.23 1.60 0.00 0.00 -1.33 0.00 0.00 177.39 177.89 3iyd n ALA 135 N -0.88 0.00 0.00 -1.18 0.00 -1.22 -4.99 120.51 112.25 3iyd n ALA 135 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3iyd n ALA 135 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 3iyd n ALA 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iyd n PHE 136 N 0.00 -0.01 -2.08 0.00 3.01 -1.24 -5.04 117.46 112.09 3iyd n PHE 136 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3iyd n PHE 136 Cb 0.00 0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3iyd n PHE 136 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iyd s LEU 137 N -5.96 4.40 0.00 4.37 1.02 -1.23 -5.02 118.68 116.25 3iyd s LEU 137 Ca 0.00 2.63 -0.10 0.00 0.02 0.00 0.00 54.13 56.69 3iyd s LEU 137 Cb 0.00 -3.63 0.13 0.00 0.02 0.00 0.00 46.19 42.71 3iyd s LEU 137 CO 0.00 -0.62 0.75 -0.90 0.02 0.00 0.00 176.35 175.61 3iyd n ASP 138 N 1.83 -0.12 -0.25 2.29 3.85 -1.26 -4.67 116.55 118.22 3iyd n ASP 138 Ca 0.04 -1.24 -0.03 0.00 -0.71 0.00 0.00 54.79 52.86 3iyd n ASP 138 Cb 0.41 -0.59 0.08 0.00 -1.35 0.00 0.00 41.12 39.68 3iyd n ASP 138 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3iyd h VAL 139 N -1.53 1.07 -0.80 2.12 2.07 -1.96 -0.02 116.25 117.20 3iyd h VAL 139 Ca -0.25 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3iyd h VAL 139 Cb 0.69 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3iyd h VAL 139 CO 0.17 0.15 0.36 0.74 0.02 0.00 0.00 177.57 179.02 3iyd h THR 140 N 0.83 1.26 0.03 2.57 2.02 -2.00 -2.07 112.91 115.54 3iyd h THR 140 Ca 0.29 -0.75 -0.26 0.00 0.77 0.00 0.00 66.41 66.46 3iyd h THR 140 Cb 0.06 0.26 0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3iyd h THR 140 CO -0.12 0.31 -1.06 1.23 0.37 0.00 0.00 175.52 176.26 3iyd h GLY 141 N 1.15 0.64 0.81 2.16 0.00 -1.80 -2.74 103.07 103.29 3iyd h GLY 141 Ca 0.27 -1.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.37 3iyd h GLY 141 CO -0.03 1.04 -0.12 3.21 0.00 0.00 0.00 176.54 180.64 3iyd h ARG 142 N 0.31 0.44 -0.37 4.80 3.08 -0.94 -2.85 114.38 118.84 3iyd h ARG 142 Ca -0.12 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 3iyd h ARG 142 Cb 1.71 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 3iyd h ARG 142 CO 0.20 0.74 -0.19 0.82 -1.07 0.00 0.00 179.97 180.47 3iyd h ILE 143 N 0.12 1.27 -0.59 2.04 2.04 -1.49 -2.62 117.51 118.28 3iyd h ILE 143 Ca 0.04 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3iyd h ILE 143 Cb 0.62 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3iyd h ILE 143 CO 0.03 0.42 0.35 0.00 0.00 0.00 0.00 178.15 178.95 3iyd h ALA 144 N 1.16 0.77 -0.05 1.87 0.00 -1.44 -1.85 119.26 119.71 3iyd h ALA 144 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3iyd h ALA 144 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iyd h ALA 144 CO 0.05 0.06 -0.47 1.96 0.00 0.00 0.00 179.25 180.85 3iyd h GLN 145 N 0.68 0.11 -0.41 0.00 1.08 -1.40 -3.03 115.11 112.13 3iyd h GLN 145 Ca 0.25 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.30 3iyd h GLN 145 Cb 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3iyd h GLN 145 CO -0.12 0.56 -0.10 1.15 -0.95 0.00 0.00 178.83 179.37 3iyd h THR 146 N 0.09 1.25 -0.87 -0.54 2.02 -0.98 -2.17 112.91 111.72 3iyd h THR 146 Ca 0.00 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3iyd h THR 146 Cb 0.86 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 3iyd h THR 146 CO 0.07 0.38 0.54 -0.07 0.37 0.00 0.00 175.52 176.80 3iyd h LEU 147 N 0.66 1.04 -0.38 2.58 3.38 -1.26 -1.51 115.31 119.82 3iyd h LEU 147 Ca 0.12 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3iyd h LEU 147 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3iyd h LEU 147 CO 0.03 0.79 -0.80 -0.07 0.09 0.00 0.00 178.44 178.49 3iyd h LEU 148 N 1.19 0.32 -0.66 1.67 -0.00 -1.57 -2.89 115.31 113.37 3iyd h LEU 148 Ca 0.31 -0.23 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 3iyd h LEU 148 Cb -0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 3iyd h LEU 148 CO -0.06 0.99 -0.09 0.78 -0.00 0.00 0.00 178.44 180.06 3iyd h ASN 149 N 0.16 0.95 1.51 -0.43 2.35 -0.97 -2.74 115.58 116.41 3iyd h ASN 149 Ca -0.04 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 3iyd h ASN 149 Cb 1.39 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 3iyd h ASN 149 CO 0.13 1.05 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.78 3iyd h LEU 150 N 0.86 0.00 -0.42 1.61 3.38 -1.32 -3.06 115.31 116.35 3iyd h LEU 150 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3iyd h LEU 150 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3iyd h LEU 150 CO 0.04 0.10 -0.40 0.00 0.09 0.00 0.00 178.44 178.27 3iyd h ALA 151 N 1.90 0.82 0.00 1.53 0.00 -1.27 -3.04 119.26 119.20 3iyd h ALA 151 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3iyd h ALA 151 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3iyd h ALA 151 CO 0.01 0.50 -0.09 1.63 0.00 0.00 0.00 179.25 181.31 3iyd n LYS 152 N -3.31 0.11 -2.31 0.00 5.02 -1.08 -4.82 118.16 111.77 3iyd n LYS 152 Ca 0.01 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 3iyd n LYS 152 Cb 0.62 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3iyd n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iyd s GLN 153 N -3.05 4.48 0.61 1.97 -1.52 -1.15 -4.91 119.66 116.09 3iyd s GLN 153 Ca 0.12 1.98 0.32 0.00 -1.95 0.00 0.00 55.36 55.83 3iyd s GLN 153 Cb 0.16 -3.17 1.86 0.00 -0.22 0.00 0.00 33.01 31.65 3iyd s GLN 153 CO 0.58 -0.05 2.19 -1.00 -0.25 0.00 0.00 175.29 176.76 3iyd h PRO 154 N 4.34 0.00 0.00 2.91 0.13 -1.89 -1.04 132.00 136.45 3iyd h PRO 154 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iyd h PRO 154 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3iyd h PRO 154 CO 0.70 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 3iyd n ASP 155 N -3.60 0.00 -4.75 1.44 5.68 -1.26 -4.82 116.55 109.23 3iyd n ASP 155 Ca -0.01 -0.59 -0.40 0.00 -0.50 0.00 0.00 54.79 53.29 3iyd n ASP 155 Cb 0.20 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.00 3iyd n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iyd s ALA 156 N -2.25 3.35 -0.13 2.12 0.00 -0.40 -5.01 121.76 119.45 3iyd s ALA 156 Ca 0.38 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 3iyd s ALA 156 Cb 0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3iyd s ALA 156 CO 0.39 0.13 0.17 1.41 0.00 0.00 0.00 175.76 177.85 3iyd s MET 157 N -1.28 3.70 0.24 0.00 1.75 -1.16 -5.02 119.30 117.53 3iyd s MET 157 Ca 0.42 -0.09 -0.30 0.00 -1.25 0.00 0.00 55.69 54.47 3iyd s MET 157 Cb -0.27 -3.26 -0.10 0.00 2.84 0.00 0.00 34.83 34.04 3iyd s MET 157 CO 0.34 0.63 1.42 0.95 -0.65 0.00 0.00 175.02 177.71 3iyd s THR 158 N -0.63 2.74 -0.03 10.11 -4.23 -1.26 -2.33 115.64 120.00 3iyd s THR 158 Ca 0.14 0.62 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 3iyd s THR 158 Cb -0.12 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 3iyd s THR 158 CO 0.03 0.10 -0.19 -2.28 -0.54 0.00 0.00 174.62 171.75 3iyd s HIS 159 N 0.01 1.79 0.50 3.99 5.04 -0.86 -4.81 115.29 120.94 3iyd s HIS 159 Ca 0.59 -0.45 0.24 0.00 -1.54 0.00 0.00 55.06 53.90 3iyd s HIS 159 Cb -0.41 -1.18 1.31 0.00 0.04 0.00 0.00 32.58 32.34 3iyd s HIS 159 CO 0.43 -0.12 1.93 -1.00 -2.34 0.00 0.00 174.74 173.64 3iyd h PRO 160 N 6.01 0.13 0.03 2.88 0.13 -1.99 -2.15 132.00 137.04 3iyd h PRO 160 Ca -0.35 -0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.42 3iyd h PRO 160 Cb 1.16 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3iyd h PRO 160 CO 0.48 0.09 -2.17 -0.25 -0.23 0.00 0.00 178.00 175.92 3iyd n ASP 161 N -4.39 1.16 0.00 1.44 10.43 -1.26 -5.07 116.55 118.86 3iyd n ASP 161 Ca 0.14 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.61 3iyd n ASP 161 Cb 0.70 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.66 3iyd n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iyd n GLY 162 N 1.88 0.18 3.06 0.44 0.00 -0.81 -4.55 105.19 105.41 3iyd n GLY 162 Ca -0.32 0.51 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3iyd n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iyd s MET 163 N 2.21 0.88 -0.27 1.61 -1.94 -1.24 -2.03 119.30 118.52 3iyd s MET 163 Ca 0.00 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3iyd s MET 163 Cb 0.00 -0.85 0.03 0.00 2.01 0.00 0.00 34.83 36.02 3iyd s MET 163 CO 0.00 0.23 -0.03 -1.14 -0.01 0.00 0.00 175.02 174.07 3iyd s GLN 164 N -0.37 2.68 0.31 2.03 0.74 -0.98 -2.96 119.66 121.11 3iyd s GLN 164 Ca 0.04 -1.09 0.10 0.00 0.05 0.00 0.00 55.36 54.46 3iyd s GLN 164 Cb -0.05 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.93 3iyd s GLN 164 CO -0.00 -0.49 -0.12 0.96 -0.55 0.00 0.00 175.29 175.09 3iyd s ILE 165 N 1.30 2.20 -0.31 -2.34 -4.36 -1.19 -3.01 121.20 113.49 3iyd s ILE 165 Ca -0.02 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.13 3iyd s ILE 165 Cb -0.18 -2.49 0.09 0.00 1.25 0.00 0.00 42.46 41.14 3iyd s ILE 165 CO -0.03 -0.29 0.05 -0.54 0.24 0.00 0.00 174.94 174.37 3iyd s LYS 166 N -3.60 1.19 -0.05 0.37 1.02 -1.26 -0.95 119.74 116.46 3iyd s LYS 166 Ca 0.31 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 54.83 3iyd s LYS 166 Cb 0.00 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3iyd s LYS 166 CO 0.15 -0.91 0.13 -1.50 -0.92 0.00 0.00 175.35 172.30 3iyd s ILE 167 N 1.26 -0.00 1.02 2.17 2.07 -0.66 -4.95 121.20 122.11 3iyd s ILE 167 Ca 0.08 0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.19 3iyd s ILE 167 Cb -0.18 -0.20 0.20 0.00 0.13 0.00 0.00 42.46 42.41 3iyd s ILE 167 CO -0.15 0.01 1.15 0.42 -1.91 0.00 0.00 174.94 174.46 3iyd s THR 168 N 0.15 1.89 -1.70 4.00 -4.23 -1.26 -4.65 115.64 109.83 3iyd s THR 168 Ca -0.01 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.80 3iyd s THR 168 Cb -0.02 -2.67 0.53 0.00 1.34 0.00 0.00 72.50 71.68 3iyd s THR 168 CO -0.00 0.00 1.94 0.54 -0.54 0.00 0.00 174.62 176.56 3iyd n ARG 169 N -4.12 0.73 -0.09 3.99 1.74 -1.26 -3.57 116.66 114.08 3iyd n ARG 169 Ca 0.10 -0.20 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 3iyd n ARG 169 Cb 0.59 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 3iyd n ARG 169 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iyd n GLN 170 N -0.96 0.60 -0.05 5.56 6.02 -1.26 -3.96 117.38 123.33 3iyd n GLN 170 Ca 0.16 0.49 0.11 0.00 -0.01 0.00 0.00 57.00 57.75 3iyd n GLN 170 Cb 0.25 -1.71 0.50 0.00 1.02 0.00 0.00 30.24 30.30 3iyd n GLN 170 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3iyd h GLU 171 N -0.82 0.39 -0.35 -1.09 5.08 -1.95 -1.10 114.58 114.74 3iyd h GLU 171 Ca -0.40 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3iyd h GLU 171 Cb 1.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3iyd h GLU 171 CO -0.19 0.26 0.14 0.82 -1.00 0.00 0.00 179.01 179.04 3iyd h ILE 172 N 0.40 1.19 0.00 3.13 2.04 -1.74 -2.41 117.51 120.12 3iyd h ILE 172 Ca 0.24 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3iyd h ILE 172 Cb 0.43 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3iyd h ILE 172 CO -0.06 0.21 0.00 1.23 0.00 0.00 0.00 178.15 179.52 3iyd h GLY 173 N 0.41 0.00 1.61 5.37 0.00 -1.37 -1.64 103.07 107.45 3iyd h GLY 173 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3iyd h GLY 173 CO -0.01 0.00 -0.25 -1.06 0.00 0.00 0.00 176.54 175.22 3iyd n GLN 174 N -2.86 0.16 -0.13 4.80 6.02 -0.64 -1.16 117.38 123.56 3iyd n GLN 174 Ca 0.01 0.09 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 3iyd n GLN 174 Cb 0.27 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 29.78 3iyd n GLN 174 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3iyd n ILE 175 N -1.89 1.49 1.00 5.09 2.08 -0.82 -4.43 119.36 121.87 3iyd n ILE 175 Ca 0.05 -0.53 0.12 0.00 0.56 0.00 0.00 62.75 62.96 3iyd n ILE 175 Cb 0.39 -1.51 0.33 0.00 -0.75 0.00 0.00 39.64 38.11 3iyd n ILE 175 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 3iyd n VAL 176 N -3.45 0.00 -2.21 1.39 0.24 -0.68 -5.01 118.33 108.61 3iyd n VAL 176 Ca -0.47 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 61.79 3iyd n VAL 176 Cb 0.97 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3iyd n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iyd n GLY 177 N 1.50 -1.48 2.05 7.63 0.00 -0.42 -4.87 105.19 109.60 3iyd n GLY 177 Ca 0.06 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 3iyd n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyd s SER 179 N -2.25 5.55 0.34 0.00 1.04 -1.26 -4.66 113.70 112.46 3iyd s SER 179 Ca 0.11 1.00 0.18 0.00 0.48 0.00 0.00 55.95 57.73 3iyd s SER 179 Cb -0.02 -1.89 0.20 0.00 0.10 0.00 0.00 66.02 64.41 3iyd s SER 179 CO 0.04 -1.21 1.52 0.08 0.98 0.00 0.00 173.24 174.65 3iyd h ARG 180 N -0.46 0.00 -0.22 4.02 0.11 -1.94 -3.26 114.38 112.63 3iyd h ARG 180 Ca -0.45 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.47 3iyd h ARG 180 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3iyd h ARG 180 CO 0.63 0.34 -0.47 0.93 0.10 0.00 0.00 179.97 181.49 3iyd h GLU 181 N 0.00 0.71 -0.72 0.08 3.07 -1.94 -3.13 114.58 112.66 3iyd h GLU 181 Ca -0.00 -0.47 -0.05 0.00 -0.50 0.00 0.00 59.36 58.33 3iyd h GLU 181 Cb 1.24 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.18 3iyd h GLU 181 CO 0.04 1.09 0.24 1.15 -1.40 0.00 0.00 179.01 180.14 3iyd h THR 182 N 0.43 1.26 -0.47 1.13 2.02 -1.97 -2.80 112.91 112.50 3iyd h THR 182 Ca 0.00 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3iyd h THR 182 Cb 1.08 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3iyd h THR 182 CO 0.10 0.34 0.30 0.58 0.37 0.00 0.00 175.52 177.21 3iyd h VAL 183 N 1.07 1.09 -0.29 3.16 2.07 -1.59 -2.56 116.25 119.19 3iyd h VAL 183 Ca 0.24 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 3iyd h VAL 183 Cb 0.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3iyd h VAL 183 CO -0.01 0.11 -0.10 1.23 0.02 0.00 0.00 177.57 178.82 3iyd h GLY 184 N 0.60 0.52 0.64 2.17 0.00 -1.46 -1.45 103.07 104.09 3iyd h GLY 184 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3iyd h GLY 184 CO -0.06 0.32 -0.09 3.21 0.00 0.00 0.00 176.54 179.92 3iyd h ARG 185 N 0.45 -0.25 -0.59 4.80 3.08 -1.22 -2.81 114.38 117.84 3iyd h ARG 185 Ca 0.09 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3iyd h ARG 185 Cb 0.45 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3iyd h ARG 185 CO 0.02 0.08 0.02 0.82 -1.07 0.00 0.00 179.97 179.85 3iyd h ILE 186 N -0.62 1.26 -0.67 2.04 5.03 -1.46 -2.39 117.51 120.70 3iyd h ILE 186 Ca -0.03 -1.10 0.07 0.00 -0.12 0.00 0.00 64.86 63.69 3iyd h ILE 186 Cb 0.45 0.78 -0.06 0.00 -3.03 0.00 0.00 36.82 34.97 3iyd h ILE 186 CO 0.04 0.40 0.35 0.25 -0.68 0.00 0.00 178.15 178.51 3iyd h LEU 187 N 0.93 0.49 -0.56 1.44 5.85 -1.29 -0.96 115.31 121.21 3iyd h LEU 187 Ca 0.17 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3iyd h LEU 187 Cb 0.51 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3iyd h LEU 187 CO 0.02 0.31 -0.21 0.11 -0.34 0.00 0.00 178.44 178.33 3iyd h LYS 188 N 0.63 0.00 -0.26 1.25 1.57 -1.38 -3.19 116.57 115.20 3iyd h LYS 188 Ca 0.31 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 3iyd h LYS 188 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3iyd h LYS 188 CO -0.22 0.21 -0.47 1.98 -0.57 0.00 0.00 179.45 180.39 3iyd h MET 189 N 0.00 0.68 0.00 3.15 4.05 -0.67 -2.87 114.93 119.27 3iyd h MET 189 Ca -0.00 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3iyd h MET 189 Cb 0.96 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 3iyd h MET 189 CO 0.03 1.00 0.00 -0.07 0.23 0.00 0.00 176.91 178.10 3iyd h LEU 190 N 0.54 0.00 -0.39 3.39 3.38 -1.37 -3.05 115.31 117.80 3iyd h LEU 190 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3iyd h LEU 190 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3iyd h LEU 190 CO 0.10 0.00 -0.78 -0.33 0.09 0.00 0.00 178.44 177.51 3iyd h GLU 191 N 0.00 0.28 0.00 1.13 5.08 -1.53 -2.39 114.58 117.14 3iyd h GLU 191 Ca 0.00 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 3iyd h GLU 191 Cb 0.58 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3iyd h GLU 191 CO 0.00 0.93 -0.49 -0.44 -1.00 0.00 0.00 179.01 178.01 3iyd h ASP 192 N 0.18 0.00 -0.14 1.42 3.45 -1.55 -2.82 116.42 116.95 3iyd h ASP 192 Ca -0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3iyd h ASP 192 Cb 1.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 3iyd h ASP 192 CO 0.12 0.49 0.00 0.00 -1.57 0.00 0.00 179.24 178.28 3iyd n GLN 193 N -3.52 1.63 -3.37 3.56 6.02 -1.19 -4.95 117.38 115.55 3iyd n GLN 193 Ca -0.00 -0.95 -0.17 0.00 -0.01 0.00 0.00 57.00 55.87 3iyd n GLN 193 Cb 0.60 -1.39 0.04 0.00 1.02 0.00 0.00 30.24 30.51 3iyd n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3iyd n ASN 194 N 0.17 -6.42 0.00 1.08 5.15 -1.07 -4.95 115.26 109.22 3iyd n ASN 194 Ca 0.16 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 3iyd n ASN 194 Cb 0.30 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 3iyd n ASN 194 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3iyd n LEU 195 N -3.10 2.63 0.00 1.20 4.77 -0.91 -5.06 117.00 116.54 3iyd n LEU 195 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3iyd n LEU 195 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3iyd n LEU 195 CO 0.60 0.44 0.00 2.30 -1.33 0.00 0.00 177.39 179.40 3iyd n ILE 196 N -2.41 0.00 -3.69 -0.08 -5.35 -1.25 -3.00 119.36 103.58 3iyd n ILE 196 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 3iyd n ILE 196 Cb 0.48 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.30 3iyd n ILE 196 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3iyd s SER 197 N -0.43 -0.33 -0.20 7.28 0.15 -0.45 -4.69 113.70 115.03 3iyd s SER 197 Ca 0.00 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 56.78 3iyd s SER 197 Cb 0.00 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 3iyd s SER 197 CO 0.00 -0.48 0.51 0.00 1.20 0.00 0.00 173.24 174.47 3iyd s ALA 198 N -1.24 -1.30 -0.30 5.45 0.00 -1.26 -1.73 121.76 121.39 3iyd s ALA 198 Ca -0.12 1.59 0.19 0.00 0.00 0.00 0.00 51.96 53.61 3iyd s ALA 198 Cb -0.04 -0.93 0.48 0.00 0.00 0.00 0.00 23.12 22.63 3iyd s ALA 198 CO 0.06 -0.26 1.04 0.72 0.00 0.00 0.00 175.76 177.31 3iyd n HIS 199 N 3.30 1.37 0.00 0.00 8.25 -1.15 -5.01 115.22 121.98 3iyd n HIS 199 Ca -0.16 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 3iyd n HIS 199 Cb 0.56 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3iyd n HIS 199 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iyd n GLY 200 N -0.36 2.29 0.00 -1.41 0.00 -1.26 -4.63 105.19 99.83 3iyd n GLY 200 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3iyd n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iyd n LYS 201 N 0.00 0.91 -2.23 1.61 4.81 -1.26 -4.78 118.16 117.22 3iyd n LYS 201 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 3iyd n LYS 201 Cb 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 35.03 34.20 3iyd n LYS 201 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3iyd s THR 202 N -1.64 3.87 -0.31 3.15 2.01 -1.26 -1.65 115.64 119.80 3iyd s THR 202 Ca 0.00 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 3iyd s THR 202 Cb 0.00 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.69 3iyd s THR 202 CO 0.00 -0.36 0.02 -0.63 -0.69 0.00 0.00 174.62 172.97 3iyd s ILE 203 N 4.84 3.02 -0.43 1.82 1.01 -0.12 -2.91 121.20 128.42 3iyd s ILE 203 Ca 0.65 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 3iyd s ILE 203 Cb -0.22 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3iyd s ILE 203 CO 0.27 -0.18 0.46 -0.69 0.00 0.00 0.00 174.94 174.79 3iyd s VAL 204 N 1.24 5.07 0.44 2.92 1.01 -0.70 -3.16 120.40 127.22 3iyd s VAL 204 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3iyd s VAL 204 Cb -0.20 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3iyd s VAL 204 CO -0.01 -0.47 0.72 0.68 0.00 0.00 0.00 175.10 176.01 3iyd s VAL 205 N 2.17 4.95 0.24 2.92 -7.23 -1.15 -1.35 120.40 120.95 3iyd s VAL 205 Ca 0.12 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.46 3iyd s VAL 205 Cb -0.18 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 3iyd s VAL 205 CO 0.13 -0.75 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.69 3iyd s TYR 206 N -2.60 1.96 0.00 2.82 1.51 -1.16 -3.74 117.35 116.13 3iyd s TYR 206 Ca 0.46 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3iyd s TYR 206 Cb -0.10 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3iyd s TYR 206 CO 0.42 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.78 3iyd n GLY 207 N -0.47 2.73 3.77 0.71 0.00 -1.26 -4.96 105.19 105.70 3iyd n GLY 207 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3iyd n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyd s THR 208 N -2.50 3.06 0.00 2.61 2.01 -1.26 -5.12 115.64 114.43 3iyd s THR 208 Ca 0.00 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.68 3iyd s THR 208 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3iyd s THR 208 CO 0.00 -0.12 0.00 0.54 -0.69 0.00 0.00 174.62 174.35