#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 1.39 -0.81 0.52 2.02 -1.98 -3.10 112.91 110.95 3iyd h THR 10 Ca 0.00 -2.09 0.12 0.00 0.77 0.00 0.00 66.41 65.22 3iyd h THR 10 Cb 0.00 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 3iyd h THR 10 CO 0.00 0.62 0.53 0.25 0.37 0.00 0.00 175.52 177.29 3iyd h LEU 11 N 0.20 0.60 -9.10 2.58 6.46 -2.01 -3.41 115.31 110.64 3iyd h LEU 11 Ca -0.02 0.03 -0.58 0.00 -0.12 0.00 0.00 57.88 57.19 3iyd h LEU 11 Cb 1.20 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3iyd h LEU 11 CO 0.11 0.33 1.37 -0.62 -0.62 0.00 0.00 178.44 179.01 3iyd n GLU 12 N -4.52 2.21 -2.90 1.25 -0.58 -1.17 -3.55 120.64 111.38 3iyd n GLU 12 Ca 0.15 0.71 -0.09 0.00 -0.42 0.00 0.00 57.16 57.51 3iyd n GLU 12 Cb 0.41 -3.05 0.01 0.00 -0.57 0.00 0.00 31.44 28.24 3iyd n GLU 12 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 3iyd n TRP 13 N 9.76 -3.40 0.00 -0.32 -0.00 -1.26 -4.93 117.44 117.29 3iyd n TRP 13 Ca 0.27 1.42 0.00 0.00 -0.00 0.00 0.00 57.50 59.18 3iyd n TRP 13 Cb 0.40 -3.71 0.00 0.00 -0.00 0.00 0.00 31.31 28.00 3iyd n TRP 13 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3iyd n PHE 14 N 0.02 0.00 -1.04 5.87 -0.00 -1.23 -4.95 117.46 116.14 3iyd n PHE 14 Ca 0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.28 3iyd n PHE 14 Cb 0.37 0.00 0.14 0.00 -0.00 0.00 0.00 39.48 39.99 3iyd n PHE 14 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3iyd n LEU 15 N -0.58 6.60 -0.04 -2.13 4.77 -1.26 -4.16 117.00 120.21 3iyd n LEU 15 Ca 0.00 -3.54 0.03 0.00 -0.03 0.00 0.00 56.01 52.47 3iyd n LEU 15 Cb 0.00 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.09 3iyd n LEU 15 CO 0.00 1.10 -0.86 -1.54 -1.33 0.00 0.00 177.39 174.76 3iyd n SER 16 N -0.88 0.60 -3.22 -1.43 3.41 -1.26 -4.69 113.62 106.15 3iyd n SER 16 Ca 0.54 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.91 3iyd n SER 16 Cb 1.31 1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 66.74 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 -2.35 0.59 -2.80 7.33 8.25 -1.26 -5.10 115.22 119.89 3iyd n HIS 17 Ca -0.13 -3.72 0.00 0.00 -0.26 0.00 0.00 57.72 53.61 3iyd n HIS 17 Cb 0.71 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 1.20 -0.41 0.20 0.00 5.65 -1.22 -4.90 115.29 115.80 3iyd s HIS 19 Ca 0.00 -0.69 -0.32 0.00 0.25 0.00 0.00 55.06 54.31 3iyd s HIS 19 Cb 0.00 -0.36 -0.11 0.00 -1.18 0.00 0.00 32.58 30.93 3iyd s HIS 19 CO 0.00 -0.98 1.64 0.42 -0.65 0.00 0.00 174.74 175.17 3iyd s ILE 20 N 1.55 2.30 0.00 0.89 1.01 -1.26 -3.26 121.20 122.43 3iyd s ILE 20 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3iyd s ILE 20 Cb -0.14 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3iyd s ILE 20 CO -0.06 0.02 0.00 1.57 0.00 0.00 0.00 174.94 176.47 3iyd n HIS 21 N 3.82 0.00 -1.27 3.97 -0.00 -1.25 -5.04 115.22 115.45 3iyd n HIS 21 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 3iyd n HIS 21 Cb 0.37 0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 3iyd n HIS 21 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3iyd n LYS 22 N -2.17 -3.58 -4.54 1.57 5.02 -1.26 -5.00 118.16 108.21 3iyd n LYS 22 Ca 0.00 2.61 -0.33 0.00 -2.02 0.00 0.00 58.31 58.57 3iyd n LYS 22 Cb 0.16 -2.89 -0.16 0.00 -0.02 0.00 0.00 35.03 32.12 3iyd n LYS 22 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3iyd s TYR 23 N -2.12 2.70 1.33 2.13 2.02 -1.13 -4.97 117.35 117.31 3iyd s TYR 23 Ca 0.00 -1.40 -0.19 0.00 -0.37 0.00 0.00 57.07 55.11 3iyd s TYR 23 Cb 0.00 -1.84 0.33 0.00 -0.40 0.00 0.00 41.96 40.04 3iyd s TYR 23 CO 0.00 -0.65 0.84 -0.35 -1.57 0.00 0.00 175.55 173.82 3iyd n PRO 24 N 4.20 -3.73 -2.29 -1.71 -0.04 -1.26 -3.72 135.00 126.44 3iyd n PRO 24 Ca -0.20 -1.09 -0.38 0.00 -0.04 0.00 0.00 63.50 61.79 3iyd n PRO 24 Cb 0.51 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.68 6.38 -1.35 3.54 0.15 -1.26 -3.49 113.70 114.99 3iyd s SER 25 Ca 0.65 2.31 -0.05 0.00 0.70 0.00 0.00 55.95 59.56 3iyd s SER 25 Cb -0.17 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.56 3iyd s SER 25 CO 0.59 -0.77 0.94 0.29 1.20 0.00 0.00 173.24 175.49 3iyd n LYS 26 N -0.18 -6.09 -2.98 5.44 5.02 -0.45 -5.00 118.16 113.91 3iyd n LYS 26 Ca 0.06 0.71 -0.19 0.00 -2.02 0.00 0.00 58.31 56.87 3iyd n LYS 26 Cb 0.47 -5.56 0.04 0.00 -0.02 0.00 0.00 35.03 29.96 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 -3.01 2.06 -3.92 4.39 3.41 -1.23 -4.92 113.62 110.40 3iyd n SER 27 Ca -0.15 -2.42 -0.31 0.00 -0.26 0.00 0.00 58.87 55.74 3iyd n SER 27 Cb 0.61 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.15 1.71 -0.03 6.66 2.01 -1.26 -3.19 115.64 119.38 3iyd s THR 28 Ca 0.42 -1.84 -0.05 0.00 0.31 0.00 0.00 61.69 60.53 3iyd s THR 28 Cb -0.03 -2.21 -0.28 0.00 0.01 0.00 0.00 72.50 69.99 3iyd s THR 28 CO 0.27 -0.52 0.71 -0.07 -0.69 0.00 0.00 174.62 174.32 3iyd h LEU 29 N 7.82 0.43 -7.98 4.42 4.07 -1.85 -3.46 115.31 118.77 3iyd h LEU 29 Ca -0.10 -0.68 -0.56 0.00 0.08 0.00 0.00 57.88 56.63 3iyd h LEU 29 Cb 1.03 -0.14 -0.34 0.00 1.08 0.00 0.00 40.66 42.28 3iyd h LEU 29 CO 0.48 1.58 -0.83 -0.63 -1.08 0.00 0.00 178.44 177.96 3iyd s ILE 30 N -2.60 1.34 -0.33 1.22 -1.09 -1.23 -4.99 121.20 113.53 3iyd s ILE 30 Ca -0.13 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 3iyd s ILE 30 Cb 0.06 -1.24 0.03 0.00 -1.58 0.00 0.00 42.46 39.73 3iyd s ILE 30 CO 0.84 0.41 0.12 -2.28 -1.23 0.00 0.00 174.94 172.80 3iyd s HIS 31 N 0.93 3.22 -0.28 3.97 5.65 -1.26 -3.21 115.29 124.31 3iyd s HIS 31 Ca -0.08 -1.20 -0.28 0.00 0.25 0.00 0.00 55.06 53.75 3iyd s HIS 31 Cb -0.15 -2.31 -0.05 0.00 -1.18 0.00 0.00 32.58 28.90 3iyd s HIS 31 CO -0.00 -0.67 2.19 -1.14 -0.65 0.00 0.00 174.74 174.47 3iyd s GLN 32 N 1.46 2.98 0.00 2.88 0.74 -1.26 -2.07 119.66 124.38 3iyd s GLN 32 Ca 0.00 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.24 3iyd s GLN 32 Cb -0.19 -4.39 0.00 0.00 1.10 0.00 0.00 33.01 29.54 3iyd s GLN 32 CO 0.04 -2.28 0.00 0.41 -0.55 0.00 0.00 175.29 172.91 3iyd n GLY 33 N 5.76 1.27 3.92 2.59 0.00 -1.24 -4.96 105.19 112.53 3iyd n GLY 33 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 3iyd n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iyd s GLU 34 N 0.00 1.90 -0.04 1.61 2.02 -0.88 -4.76 118.70 118.55 3iyd s GLU 34 Ca 0.00 -0.14 -0.21 0.00 0.02 0.00 0.00 54.97 54.64 3iyd s GLU 34 Cb 0.00 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3iyd s GLU 34 CO 0.00 -1.54 0.61 0.15 0.02 0.00 0.00 175.26 174.51 3iyd s LYS 35 N -5.46 4.36 -0.58 1.61 1.02 -1.26 -2.03 119.74 117.40 3iyd s LYS 35 Ca 0.63 0.74 -0.28 0.00 0.02 0.00 0.00 55.97 57.08 3iyd s LYS 35 Cb -0.10 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3iyd s LYS 35 CO 0.47 0.24 1.39 0.00 -0.92 0.00 0.00 175.35 176.53 3iyd s ALA 36 N 0.25 2.81 -0.03 5.17 0.00 -1.22 -4.76 121.76 123.98 3iyd s ALA 36 Ca 0.32 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3iyd s ALA 36 Cb -0.18 -4.11 0.06 0.00 0.00 0.00 0.00 23.12 18.89 3iyd s ALA 36 CO 0.17 -2.96 0.91 0.39 0.00 0.00 0.00 175.76 174.26 3iyd n GLU 37 N 8.72 0.64 -3.67 0.00 1.02 -1.26 -4.85 120.64 121.23 3iyd n GLU 37 Ca 0.11 -1.27 -0.10 0.00 -0.02 0.00 0.00 57.16 55.88 3iyd n GLU 37 Cb 0.49 -0.77 -0.11 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.73 -0.38 0.18 2.62 2.01 -1.26 -4.24 115.64 113.84 3iyd s THR 38 Ca 0.07 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 3iyd s THR 38 Cb 0.06 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 3iyd s THR 38 CO 0.01 0.07 0.59 -0.22 -0.69 0.00 0.00 174.62 174.38 3iyd s LEU 39 N 2.13 4.30 0.10 4.42 2.96 0.25 -4.92 118.68 127.92 3iyd s LEU 39 Ca -0.04 1.13 0.09 0.00 -0.22 0.00 0.00 54.13 55.09 3iyd s LEU 39 Cb -0.11 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3iyd s LEU 39 CO -0.12 0.04 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.42 3iyd s TYR 40 N -1.56 1.91 -0.02 5.38 1.51 -0.99 -1.43 117.35 122.15 3iyd s TYR 40 Ca 0.41 -0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 56.06 3iyd s TYR 40 Cb -0.14 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3iyd s TYR 40 CO 0.20 0.23 0.04 -0.47 -1.11 0.00 0.00 175.55 174.43 3iyd s TYR 41 N -1.11 0.01 -0.05 2.71 5.04 -1.22 -1.35 117.35 121.38 3iyd s TYR 41 Ca 0.08 0.16 -0.24 0.00 -2.44 0.00 0.00 57.07 54.63 3iyd s TYR 41 Cb -0.10 -0.22 -0.04 0.00 0.35 0.00 0.00 41.96 41.96 3iyd s TYR 41 CO 0.04 -0.09 0.73 0.42 -1.34 0.00 0.00 175.55 175.32 3iyd s ILE 42 N 1.04 4.99 -0.13 3.14 1.01 -0.30 -1.54 121.20 129.41 3iyd s ILE 42 Ca -0.09 1.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 3iyd s ILE 42 Cb -0.12 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3iyd s ILE 42 CO -0.03 0.26 -0.28 0.52 0.00 0.00 0.00 174.94 175.41 3iyd n VAL 43 N 3.66 1.41 -4.19 2.92 0.31 -0.74 -2.82 118.33 118.88 3iyd n VAL 43 Ca -0.01 0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 3iyd n VAL 43 Cb 0.51 -2.14 -0.14 0.00 -0.91 0.00 0.00 33.84 31.16 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 -2.68 0.51 0.00 5.55 1.02 -1.25 -4.48 119.74 118.41 3iyd s LYS 44 Ca -0.24 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.45 3iyd s LYS 44 Cb 0.04 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 3iyd s LYS 44 CO 0.35 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 3iyd n GLY 45 N 2.71 -0.44 3.55 -3.33 0.00 -1.26 -1.81 105.19 104.61 3iyd n GLY 45 Ca -0.14 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 3iyd n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iyd s SER 46 N -4.00 0.27 -0.13 1.61 1.04 -1.26 -2.65 113.70 108.58 3iyd s SER 46 Ca 0.00 -1.16 -0.27 0.00 0.48 0.00 0.00 55.95 54.99 3iyd s SER 46 Cb 0.00 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.81 3iyd s SER 46 CO 0.00 -1.22 0.67 0.54 0.98 0.00 0.00 173.24 174.21 3iyd s VAL 47 N -3.56 0.00 -0.08 5.02 0.11 -0.56 -4.03 120.40 117.30 3iyd s VAL 47 Ca 0.26 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 3iyd s VAL 47 Cb -0.00 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 3iyd s VAL 47 CO 0.13 -0.01 -0.08 0.00 -3.33 0.00 0.00 175.10 171.81 3iyd s ALA 48 N -0.57 2.92 -0.22 1.54 0.00 -0.99 -1.40 121.76 123.04 3iyd s ALA 48 Ca -0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 3iyd s ALA 48 Cb -0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3iyd s ALA 48 CO 0.06 0.51 0.03 0.08 0.00 0.00 0.00 175.76 176.44 3iyd s VAL 49 N -0.58 4.12 0.29 0.00 1.01 -1.19 -2.28 120.40 121.77 3iyd s VAL 49 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3iyd s VAL 49 Cb -0.12 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3iyd s VAL 49 CO 0.02 0.39 0.37 -1.48 0.00 0.00 0.00 175.10 174.39 3iyd s LEU 50 N 1.30 1.01 0.08 3.92 0.05 -1.09 -1.22 118.68 122.73 3iyd s LEU 50 Ca 0.04 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.84 3iyd s LEU 50 Cb -0.15 1.14 -0.04 0.00 -2.05 0.00 0.00 46.19 45.09 3iyd s LEU 50 CO 0.02 -1.12 -0.03 0.27 -0.55 0.00 0.00 176.35 174.94 3iyd s ILE 51 N -3.58 0.38 0.37 1.48 -4.36 -1.15 -2.27 121.20 112.08 3iyd s ILE 51 Ca 0.32 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.92 3iyd s ILE 51 Cb 0.02 -1.67 -0.07 0.00 1.25 0.00 0.00 42.46 41.99 3iyd s ILE 51 CO 0.17 -0.87 -0.03 -0.54 0.24 0.00 0.00 174.94 173.91 3iyd s LYS 52 N -3.91 1.85 0.00 0.37 1.02 -1.26 -2.46 119.74 115.34 3iyd s LYS 52 Ca 0.12 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.11 3iyd s LYS 52 Cb 0.07 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 3iyd s LYS 52 CO -0.06 0.02 0.00 -0.40 -0.92 0.00 0.00 175.35 173.99 3iyd n ASP 53 N -0.85 0.00 0.03 2.83 3.85 -1.26 -5.03 116.55 116.13 3iyd n ASP 53 Ca -0.05 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.14 3iyd n ASP 53 Cb 0.65 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.45 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 0.31 0.00 0.11 0.00 -1.26 -4.70 120.64 115.10 3iyd n GLU 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3iyd n GLU 54 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 29.83 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 -2.01 0.00 0.00 3.44 4.71 -1.26 -5.05 120.64 120.47 3iyd n GLU 55 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3iyd n GLU 55 Cb 0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 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 2.93 0.02 3.75 0.62 0.00 -1.26 -5.14 105.19 106.12 3iyd n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.43 0.40 1.61 2.20 -1.26 -4.92 119.74 122.21 3iyd s LYS 57 Ca 0.00 2.05 0.05 0.00 -0.36 0.00 0.00 55.97 57.71 3iyd s LYS 57 Cb 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3iyd s LYS 57 CO 0.00 -0.12 0.56 -1.21 -0.36 0.00 0.00 175.35 174.22 3iyd s GLU 58 N -1.00 2.97 -0.28 4.03 2.02 -1.26 -4.01 118.70 121.16 3iyd s GLU 58 Ca 0.51 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3iyd s GLU 58 Cb -0.37 -2.72 0.14 0.00 0.10 0.00 0.00 34.13 31.29 3iyd s GLU 58 CO 0.44 -0.17 0.34 1.41 0.02 0.00 0.00 175.26 177.31 3iyd s MET 59 N -4.35 0.35 0.11 1.61 -2.45 -1.03 -4.64 119.30 108.90 3iyd s MET 59 Ca 0.49 0.02 -0.30 0.00 -1.25 0.00 0.00 55.69 54.65 3iyd s MET 59 Cb -0.10 -0.53 -0.07 0.00 1.25 0.00 0.00 34.83 35.39 3iyd s MET 59 CO 0.34 -0.99 1.19 0.42 1.05 0.00 0.00 175.02 177.03 3iyd s ILE 60 N 2.44 3.88 -0.04 10.11 1.01 -0.66 -2.92 121.20 135.02 3iyd s ILE 60 Ca 0.10 1.42 -0.03 0.00 0.00 0.00 0.00 60.65 62.14 3iyd s ILE 60 Cb -0.13 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 3iyd s ILE 60 CO -0.30 0.15 -0.05 0.18 0.00 0.00 0.00 174.94 174.92 3iyd n LEU 61 N 3.41 0.50 -3.75 2.97 7.99 -0.36 -4.76 117.00 123.00 3iyd n LEU 61 Ca 0.07 0.35 -0.13 0.00 -0.01 0.00 0.00 56.01 56.29 3iyd n LEU 61 Cb 0.46 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 43.08 3iyd n LEU 61 CO 0.55 -0.49 0.03 -0.55 -1.51 0.00 0.00 177.39 175.43 3iyd s SER 62 N -4.13 -0.18 0.02 -1.43 0.15 -1.25 -5.06 113.70 101.82 3iyd s SER 62 Ca -0.04 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 3iyd s SER 62 Cb 0.01 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.59 3iyd s SER 62 CO 0.06 -0.50 0.45 -0.31 1.20 0.00 0.00 173.24 174.14 3iyd s TYR 63 N -1.68 3.74 -0.21 3.44 1.51 -1.26 -3.16 117.35 119.73 3iyd s TYR 63 Ca -0.11 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.01 3iyd s TYR 63 Cb -0.04 -2.33 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 3iyd s TYR 63 CO 0.02 0.62 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.49 3iyd s LEU 64 N -1.14 2.37 0.00 -1.29 1.43 -0.49 -5.03 118.68 114.53 3iyd s LEU 64 Ca 0.25 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3iyd s LEU 64 Cb -0.17 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3iyd s LEU 64 CO 0.15 -0.18 0.00 0.59 0.23 0.00 0.00 176.35 177.14 3iyd n ASN 65 N 4.68 0.00 -4.79 2.29 5.03 -1.26 -1.50 115.26 119.71 3iyd n ASN 65 Ca -0.14 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 54.99 3iyd n ASN 65 Cb 0.46 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.27 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 0.68 2.82 0.00 3.52 -2.07 -1.08 -3.78 119.66 119.74 3iyd s GLN 66 Ca 0.00 1.19 0.00 0.00 -1.82 0.00 0.00 55.36 54.73 3iyd s GLN 66 Cb 0.00 -1.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.95 3iyd s GLN 66 CO 0.00 -1.21 0.00 0.41 -1.32 0.00 0.00 175.29 173.17 3iyd n GLY 67 N -1.12 0.53 3.47 2.60 0.00 -1.13 -5.04 105.19 104.51 3iyd n GLY 67 Ca 0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.31 3.69 0.27 1.61 -0.00 -1.25 -4.97 116.67 113.72 3iyd s ASP 68 Ca 0.00 -0.80 0.01 0.00 -0.00 0.00 0.00 52.55 51.76 3iyd s ASP 68 Cb 0.00 -0.39 -0.04 0.00 -0.00 0.00 0.00 42.92 42.49 3iyd s ASP 68 CO 0.00 0.11 0.45 -0.36 -0.00 0.00 0.00 175.17 175.37 3iyd s PHE 69 N -1.77 3.48 -0.14 4.23 0.08 -1.26 -1.15 117.98 121.45 3iyd s PHE 69 Ca 0.23 0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.55 3iyd s PHE 69 Cb -0.08 -1.81 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3iyd s PHE 69 CO 0.12 0.28 -0.07 0.42 -0.10 0.00 0.00 175.22 175.87 3iyd s ILE 70 N -2.08 1.15 -0.28 0.64 1.01 -0.46 -4.91 121.20 116.28 3iyd s ILE 70 Ca 0.38 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 3iyd s ILE 70 Cb -0.10 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3iyd s ILE 70 CO 0.32 0.27 0.36 0.61 0.00 0.00 0.00 174.94 176.50 3iyd n GLY 71 N 4.88 -1.04 0.00 6.18 0.00 -1.26 -2.33 105.19 111.62 3iyd n GLY 71 Ca -0.13 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.50 0.64 0.10 1.61 0.00 -1.26 -4.34 120.64 116.89 3iyd n GLU 72 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 57.16 56.32 3iyd n GLU 72 Cb 0.30 -0.95 0.08 0.00 0.00 0.00 0.00 31.44 30.87 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 0.18 -4.67 -1.84 3.38 -1.99 -3.30 115.31 107.07 3iyd h LEU 73 Ca 0.00 -0.12 -0.49 0.00 0.09 0.00 0.00 57.88 57.36 3iyd h LEU 73 Cb 0.27 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 3iyd h LEU 73 CO 0.00 0.83 0.93 0.61 0.09 0.00 0.00 178.44 180.90 3iyd n GLY 74 N 0.50 4.19 0.25 0.83 0.00 -1.26 -4.04 105.19 105.66 3iyd n GLY 74 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 1.68 1.85 0.11 0.99 7.94 -1.24 -4.80 117.00 123.53 3iyd n LEU 75 Ca 0.53 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.37 3iyd n LEU 75 Cb 0.55 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 3iyd n LEU 75 CO 0.40 0.28 0.15 -0.26 -1.11 0.00 0.00 177.39 176.86 3iyd h PHE 76 N 0.00 -0.34 -3.65 1.96 0.04 -1.83 -3.43 116.94 109.69 3iyd h PHE 76 Ca 0.00 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 60.09 3iyd h PHE 76 Cb 0.78 0.11 -0.18 0.00 2.20 0.00 0.00 35.95 38.86 3iyd h PHE 76 CO 0.00 -0.21 -0.33 -2.00 -0.60 0.00 0.00 178.31 175.17 3iyd s GLU 77 N -2.75 3.44 0.12 1.51 2.12 -1.26 -5.05 118.70 116.83 3iyd s GLU 77 Ca -0.05 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.41 3iyd s GLU 77 Cb 0.01 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 3iyd s GLU 77 CO 0.16 -0.57 1.30 -2.00 -0.54 0.00 0.00 175.26 173.61 3iyd s GLU 78 N 1.94 4.38 0.00 4.30 -6.30 -1.26 -4.27 118.70 117.50 3iyd s GLU 78 Ca 0.10 1.95 0.00 0.00 -2.50 0.00 0.00 54.97 54.52 3iyd s GLU 78 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 30.69 3iyd s GLU 78 CO 0.12 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.49 3iyd n GLY 79 N 3.10 0.88 3.62 -1.50 0.00 -1.26 -5.14 105.19 104.88 3iyd n GLY 79 Ca 0.09 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.79 2.06 0.17 1.61 -0.21 -1.26 -5.10 119.66 115.14 3iyd s GLN 80 Ca 0.00 -2.29 0.07 0.00 0.02 0.00 0.00 55.36 53.16 3iyd s GLN 80 Cb 0.00 -0.95 -0.04 0.00 1.00 0.00 0.00 33.01 33.02 3iyd s GLN 80 CO 0.00 -0.46 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.37 3iyd s GLU 81 N -3.76 1.19 0.11 2.91 2.02 -1.26 -3.38 118.70 116.53 3iyd s GLU 81 Ca 0.16 -1.46 -0.31 0.00 0.02 0.00 0.00 54.97 53.38 3iyd s GLU 81 Cb 0.02 -0.97 -0.09 0.00 0.10 0.00 0.00 34.13 33.18 3iyd s GLU 81 CO 0.10 0.16 1.69 1.03 0.02 0.00 0.00 175.26 178.26 3iyd s ARG 82 N -3.37 4.18 -0.05 1.61 1.81 -0.86 -4.86 118.95 117.41 3iyd s ARG 82 Ca 0.17 2.42 -0.19 0.00 -1.72 0.00 0.00 55.73 56.41 3iyd s ARG 82 Cb -0.01 -3.48 -0.14 0.00 -0.45 0.00 0.00 34.95 30.87 3iyd s ARG 82 CO 0.04 -0.74 0.80 0.66 -0.68 0.00 0.00 175.30 175.39 3iyd h SER 83 N 8.01 -0.23 -3.94 0.23 4.64 -1.93 -3.29 113.55 117.03 3iyd h SER 83 Ca -0.43 -0.28 -0.40 0.00 -0.47 0.00 0.00 61.79 60.21 3iyd h SER 83 Cb 1.21 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 3iyd h SER 83 CO 0.93 0.30 -0.61 0.00 -0.87 0.00 0.00 176.83 176.58 3iyd s ALA 84 N -3.71 1.99 0.37 5.18 0.00 -1.26 -4.93 121.76 119.40 3iyd s ALA 84 Ca -0.11 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.72 3iyd s ALA 84 Cb 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.88 3iyd s ALA 84 CO 0.42 -0.38 0.85 -1.58 0.00 0.00 0.00 175.76 175.06 3iyd s TRP 85 N -3.55 3.37 -0.39 0.00 0.52 -0.96 -4.45 118.94 113.49 3iyd s TRP 85 Ca 0.37 1.44 0.01 0.00 0.02 0.00 0.00 56.10 57.94 3iyd s TRP 85 Cb 0.08 -2.71 0.12 0.00 -1.15 0.00 0.00 33.47 29.82 3iyd s TRP 85 CO 0.14 0.02 0.18 0.08 0.02 0.00 0.00 176.95 177.39 3iyd s VAL 86 N -2.03 1.28 -0.21 4.03 1.01 -1.20 -2.67 120.40 120.62 3iyd s VAL 86 Ca 0.57 -2.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.28 3iyd s VAL 86 Cb -0.10 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3iyd s VAL 86 CO 0.16 -0.80 0.26 -0.60 0.00 0.00 0.00 175.10 174.12 3iyd s ARG 87 N 0.82 4.16 -0.22 2.72 3.52 -0.96 -2.25 118.95 126.74 3iyd s ARG 87 Ca 0.14 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 3iyd s ARG 87 Cb -0.22 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3iyd s ARG 87 CO -0.09 0.09 1.75 0.00 -0.81 0.00 0.00 175.30 176.24 3iyd s ALA 88 N 0.94 3.15 0.05 6.12 0.00 -1.19 -2.36 121.76 128.46 3iyd s ALA 88 Ca 0.13 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 3iyd s ALA 88 Cb -0.13 -3.91 -0.15 0.00 0.00 0.00 0.00 23.12 18.92 3iyd s ALA 88 CO 0.05 -2.16 1.52 -0.22 0.00 0.00 0.00 175.76 174.95 3iyd h LYS 89 N 11.65 0.09 0.00 0.00 3.64 -1.87 -1.20 116.57 128.88 3iyd h LYS 89 Ca -0.36 -0.02 -0.47 0.00 -1.27 0.00 0.00 60.65 58.52 3iyd h LYS 89 Cb 1.17 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 3iyd h LYS 89 CO 1.00 0.30 -0.41 0.25 -2.27 0.00 0.00 179.45 178.32 3iyd n THR 90 N -4.91 0.00 -1.97 1.00 -2.24 -1.26 -4.39 114.28 100.51 3iyd n THR 90 Ca -0.07 -2.09 -0.41 0.00 -2.27 0.00 0.00 64.05 59.21 3iyd n THR 90 Cb 0.15 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3iyd n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iyd s ALA 91 N -3.01 2.63 0.09 6.98 0.00 -1.26 -4.60 121.76 122.59 3iyd s ALA 91 Ca 0.21 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.28 3iyd s ALA 91 Cb 0.01 -4.10 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 3iyd s ALA 91 CO 0.15 -3.04 -0.14 0.00 0.00 0.00 0.00 175.76 172.73 3iyd s GLU 93 N -2.19 3.79 -0.05 0.00 2.12 -0.75 -2.84 118.70 118.78 3iyd s GLU 93 Ca 0.03 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 55.00 3iyd s GLU 93 Cb -0.07 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 3iyd s GLU 93 CO 0.02 -0.16 -0.19 0.08 -0.54 0.00 0.00 175.26 174.47 3iyd s VAL 94 N 1.61 1.60 0.74 3.70 1.01 -1.26 -1.79 120.40 126.00 3iyd s VAL 94 Ca 0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3iyd s VAL 94 Cb -0.15 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.93 3iyd s VAL 94 CO 0.06 0.46 1.06 0.00 0.00 0.00 0.00 175.10 176.68 3iyd s ALA 95 N 0.04 3.04 -0.08 5.51 0.00 -0.59 -3.85 121.76 125.82 3iyd s ALA 95 Ca -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3iyd s ALA 95 Cb -0.13 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.37 3iyd s ALA 95 CO 0.03 -1.43 0.02 -1.21 0.00 0.00 0.00 175.76 173.17 3iyd s GLU 96 N -5.34 0.46 -0.08 0.00 2.02 -1.20 -3.41 118.70 111.16 3iyd s GLU 96 Ca 0.61 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 3iyd s GLU 96 Cb -0.10 -1.06 0.03 0.00 0.10 0.00 0.00 34.13 33.10 3iyd s GLU 96 CO 0.46 -0.36 0.01 0.42 0.02 0.00 0.00 175.26 175.81 3iyd s ILE 97 N 2.00 0.34 0.55 -1.63 1.01 -0.51 -3.44 121.20 119.52 3iyd s ILE 97 Ca 0.04 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.58 3iyd s ILE 97 Cb -0.13 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 3iyd s ILE 97 CO -0.05 0.21 1.30 -0.94 0.00 0.00 0.00 174.94 175.46 3iyd s SER 98 N 1.98 5.34 0.46 3.58 1.04 -1.26 -0.58 113.70 124.26 3iyd s SER 98 Ca 0.05 2.63 0.15 0.00 0.48 0.00 0.00 55.95 59.26 3iyd s SER 98 Cb -0.13 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.43 3iyd s SER 98 CO -0.05 -1.51 2.02 1.88 0.98 0.00 0.00 173.24 176.56 3iyd h TYR 99 N 1.40 0.00 -0.50 5.02 -1.99 -1.93 -1.62 116.97 117.34 3iyd h TYR 99 Ca -0.51 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.20 3iyd h TYR 99 Cb 1.30 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 3iyd h TYR 99 CO 0.47 0.15 0.21 -0.22 -0.00 0.00 0.00 178.16 178.77 3iyd h LYS 100 N 0.00 0.75 0.00 4.88 3.64 -1.91 -2.44 116.57 121.49 3iyd h LYS 100 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3iyd h LYS 100 Cb 0.27 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3iyd h LYS 100 CO 0.02 0.66 -0.08 0.87 -2.27 0.00 0.00 179.45 178.64 3iyd h LYS 101 N 0.67 0.00 -0.09 1.90 1.57 -1.85 -3.27 116.57 115.50 3iyd h LYS 101 Ca 0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 3iyd h LYS 101 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3iyd h LYS 101 CO -0.02 0.00 -0.71 0.35 -0.57 0.00 0.00 179.45 178.50 3iyd h PHE 102 N 0.00 0.58 0.00 -1.35 3.04 -0.92 -3.02 116.94 115.26 3iyd h PHE 102 Ca 0.00 -0.25 -0.04 0.00 3.98 0.00 0.00 57.97 61.66 3iyd h PHE 102 Cb 0.92 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3iyd h PHE 102 CO 0.00 1.00 -0.18 0.00 -2.02 0.00 0.00 178.31 177.12 3iyd h ARG 103 N 0.30 0.00 0.00 1.11 3.08 -1.50 -1.90 114.38 115.47 3iyd h ARG 103 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3iyd h ARG 103 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3iyd h ARG 103 CO 0.12 0.18 -0.44 1.96 -1.07 0.00 0.00 179.97 180.72 3iyd h GLN 104 N 0.00 0.00 0.00 0.04 4.20 -1.66 -3.08 115.11 114.60 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 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3iyd h GLN 104 CO 0.02 0.44 0.00 -0.07 -0.67 0.00 0.00 178.83 178.55 3iyd h LEU 105 N 0.00 0.00 0.15 1.46 3.38 -1.30 -3.23 115.31 115.77 3iyd h LEU 105 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3iyd h LEU 105 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 3iyd h LEU 105 CO 0.06 0.00 -1.40 0.40 0.09 0.00 0.00 178.44 177.59 3iyd h ILE 106 N 0.00 1.33 0.00 1.22 2.04 -1.43 -2.13 117.51 118.53 3iyd h ILE 106 Ca 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 64.86 62.92 3iyd h ILE 106 Cb 0.84 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 3iyd h ILE 106 CO 0.00 0.85 -0.21 1.56 0.00 0.00 0.00 178.15 180.35 3iyd h GLN 107 N 0.09 0.00 0.00 2.37 4.20 -1.57 -0.88 115.11 119.32 3iyd h GLN 107 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3iyd h GLN 107 Cb 2.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.81 3iyd h GLN 107 CO 0.20 0.21 -1.41 1.33 -0.67 0.00 0.00 178.83 178.49 3iyd n VAL 108 N -3.98 0.10 -2.88 -0.54 0.24 -1.23 -4.75 118.33 105.28 3iyd n VAL 108 Ca -0.02 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 3iyd n VAL 108 Cb 0.29 0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.91 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 -4.06 -1.05 0.63 -1.34 2.47 -0.80 -5.00 114.94 105.80 3iyd s ASN 109 Ca -0.00 -1.85 0.41 0.00 0.42 0.00 0.00 52.86 51.84 3iyd s ASN 109 Cb 0.14 1.58 2.24 0.00 -1.45 0.00 0.00 41.25 43.77 3iyd s ASN 109 CO 0.86 -0.08 2.26 1.55 -3.72 0.00 0.00 177.10 177.97 3iyd h PRO 110 N 5.23 0.00 -0.34 0.43 0.13 -1.41 -2.41 132.00 133.63 3iyd h PRO 110 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3iyd h PRO 110 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3iyd h PRO 110 CO 0.06 0.00 0.12 0.22 -0.23 0.00 0.00 178.00 178.17 3iyd h ASP 111 N 0.00 0.43 -0.24 1.44 -0.00 -1.93 -1.98 116.42 114.15 3iyd h ASP 111 Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.03 56.93 3iyd h ASP 111 Cb 0.07 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.27 3iyd h ASP 111 CO 0.00 0.41 -0.01 -0.29 -0.00 0.00 0.00 179.24 179.35 3iyd h ILE 112 N 0.48 1.20 0.00 2.25 -0.00 -1.78 -1.72 117.51 117.94 3iyd h ILE 112 Ca 0.12 -0.82 -0.11 0.00 -0.00 0.00 0.00 64.86 64.05 3iyd h ILE 112 Cb 0.13 0.95 -0.02 0.00 -0.00 0.00 0.00 36.82 37.88 3iyd h ILE 112 CO -0.01 0.28 -0.52 0.25 -0.00 0.00 0.00 178.15 178.15 3iyd h LEU 113 N 0.52 0.00 -1.19 2.19 5.85 -1.54 -2.84 115.31 118.29 3iyd h LEU 113 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3iyd h LEU 113 Cb 0.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3iyd h LEU 113 CO 0.01 0.52 -0.05 -0.03 -0.34 0.00 0.00 178.44 178.55 3iyd h MET 114 N 0.00 0.00 0.02 1.25 4.05 -0.89 -2.24 114.93 117.12 3iyd h MET 114 Ca -0.01 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 3iyd h MET 114 Cb 1.11 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 3iyd h MET 114 CO 0.07 0.05 -0.83 0.00 0.23 0.00 0.00 176.91 176.42 3iyd h ARG 115 N 0.00 0.04 -0.53 0.39 2.47 -1.25 -3.21 114.38 112.28 3iyd h ARG 115 Ca -0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 3iyd h ARG 115 Cb 0.63 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 3iyd h ARG 115 CO 0.01 1.03 0.20 1.25 0.56 0.00 0.00 179.97 183.02 3iyd h LEU 116 N -0.90 0.75 -0.40 3.04 5.85 -1.53 -2.13 115.31 119.98 3iyd h LEU 116 Ca -0.22 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3iyd h LEU 116 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3iyd h LEU 116 CO -0.10 0.72 0.00 -1.20 -0.34 0.00 0.00 178.44 177.52 3iyd n SER 117 N -4.51 0.48 0.08 1.25 7.64 -0.84 -2.68 113.62 115.04 3iyd n SER 117 Ca 0.02 0.60 -0.16 0.00 1.01 0.00 0.00 58.87 60.35 3iyd n SER 117 Cb 0.17 -0.71 -0.14 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.40 0.20 0.00 -0.43 0.00 -1.39 -3.30 119.26 116.73 3iyd h ALA 118 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 54.91 53.84 3iyd h ALA 118 Cb 0.39 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iyd h ALA 118 CO 0.00 1.07 -0.40 1.96 0.00 0.00 0.00 179.25 181.88 3iyd h GLN 119 N 0.07 0.00 0.00 0.00 4.20 -1.28 -3.02 115.11 115.07 3iyd h GLN 119 Ca -0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3iyd h GLN 119 Cb 1.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.76 3iyd h GLN 119 CO 0.18 0.40 0.00 0.52 -0.67 0.00 0.00 178.83 179.26 3iyd h MET 120 N 0.00 0.00 0.04 1.46 2.86 -1.62 -2.18 114.93 115.50 3iyd h MET 120 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 3iyd h MET 120 Cb 1.07 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.75 3iyd h MET 120 CO 0.05 0.00 -0.87 0.00 1.06 0.00 0.00 176.91 177.15 3iyd h ALA 121 N 2.01 0.05 -0.18 6.32 0.00 -1.66 -2.86 119.26 122.94 3iyd h ALA 121 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.06 3iyd h ALA 121 Cb 0.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iyd h ALA 121 CO 0.00 0.51 -0.65 -0.09 0.00 0.00 0.00 179.25 179.02 3iyd h ARG 122 N 0.08 0.67 -0.07 0.00 9.65 -1.61 -3.12 114.38 119.99 3iyd h ARG 122 Ca -0.12 -0.48 -0.07 0.00 -1.10 0.00 0.00 59.98 58.20 3iyd h ARG 122 Cb 1.57 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.22 3iyd h ARG 122 CO 0.17 1.10 -0.30 0.00 2.80 0.00 0.00 179.97 183.74 3iyd h ARG 123 N 0.49 0.12 0.00 0.20 3.08 -1.50 -1.73 114.38 115.04 3iyd h ARG 123 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3iyd h ARG 123 Cb 1.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3iyd h ARG 123 CO 0.13 0.42 -0.06 1.25 -1.07 0.00 0.00 179.97 180.63 3iyd h LEU 124 N 0.11 0.00 0.02 3.04 5.85 -1.44 -2.72 115.31 120.17 3iyd h LEU 124 Ca 0.02 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.51 3iyd h LEU 124 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3iyd h LEU 124 CO 0.04 0.06 -1.21 1.56 -0.34 0.00 0.00 178.44 178.56 3iyd h GLN 125 N 0.00 0.04 0.00 1.25 4.20 -1.35 -3.24 115.11 116.02 3iyd h GLN 125 Ca -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3iyd h GLN 125 Cb 0.59 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3iyd h GLN 125 CO 0.01 1.03 -0.10 -0.39 -0.67 0.00 0.00 178.83 178.72 3iyd h VAL 126 N -0.85 0.76 0.11 -0.54 -1.51 -1.37 -0.72 116.25 112.13 3iyd h VAL 126 Ca -0.32 -0.38 -0.29 0.00 -1.23 0.00 0.00 66.70 64.49 3iyd h VAL 126 Cb 1.37 1.22 0.02 0.00 -2.13 0.00 0.00 31.29 31.78 3iyd h VAL 126 CO -0.14 0.10 -1.21 0.74 -1.23 0.00 0.00 177.57 175.82 3iyd h THR 127 N 0.00 1.33 -0.35 7.19 2.02 -1.65 -2.87 112.91 118.58 3iyd h THR 127 Ca -0.00 -2.56 -0.15 0.00 0.77 0.00 0.00 66.41 64.48 3iyd h THR 127 Cb 0.22 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3iyd h THR 127 CO 0.01 0.77 -0.37 0.28 0.37 0.00 0.00 175.52 176.59 3iyd h SER 128 N 0.24 0.88 0.76 4.18 0.02 -1.43 -2.84 113.55 115.36 3iyd h SER 128 Ca -0.17 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 3iyd h SER 128 Cb 1.89 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 3iyd h SER 128 CO 0.22 1.15 -0.19 -0.33 -1.14 0.00 0.00 176.83 176.54 3iyd h GLU 129 N 0.68 0.00 -0.05 3.45 5.08 -1.23 -2.66 114.58 119.85 3iyd h GLU 129 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3iyd h GLU 129 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3iyd h GLU 129 CO 0.09 0.19 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.66 3iyd h LYS 130 N 0.00 0.11 -0.38 2.33 1.63 -1.26 -2.96 116.57 116.04 3iyd h LYS 130 Ca -0.00 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 3iyd h LYS 130 Cb 0.62 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 3iyd h LYS 130 CO 0.02 0.50 -0.26 0.28 -3.45 0.00 0.00 179.45 176.54 3iyd h VAL 131 N 0.10 1.28 0.00 2.00 2.07 -1.45 -3.04 116.25 117.20 3iyd h VAL 131 Ca 0.01 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3iyd h VAL 131 Cb 0.76 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3iyd h VAL 131 CO 0.06 0.47 -0.16 1.23 0.02 0.00 0.00 177.57 179.19 3iyd h GLY 132 N 0.65 0.00 2.00 2.17 0.00 -1.54 -1.87 103.07 104.49 3iyd h GLY 132 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3iyd h GLY 132 CO 0.07 0.00 0.00 3.43 0.00 0.00 0.00 176.54 180.04 3iyd h ASN 133 N 0.00 0.00 -0.52 0.19 -0.26 -1.40 -2.00 115.58 111.59 3iyd h ASN 133 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3iyd h ASN 133 Cb 0.29 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 3iyd h ASN 133 CO 0.02 0.00 0.05 0.18 -1.06 0.00 0.00 177.43 176.62 3iyd n LEU 134 N -2.73 5.28 0.00 1.61 4.77 -0.70 -4.01 117.00 121.22 3iyd n LEU 134 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 3iyd n LEU 134 Cb 0.21 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3iyd n LEU 134 CO 0.22 0.70 -0.12 0.00 -1.33 0.00 0.00 177.39 176.86 3iyd n ALA 135 N 0.10 1.64 -0.02 -1.18 0.00 -0.86 -4.98 120.51 115.22 3iyd n ALA 135 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 3iyd n ALA 135 Cb 1.15 0.09 -0.00 0.00 0.00 0.00 0.00 19.45 20.69 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 -1.32 0.13 -2.33 0.00 3.01 -0.81 -4.97 117.46 111.17 3iyd n PHE 136 Ca 0.00 0.06 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 3iyd n PHE 136 Cb 0.12 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.30 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 -5.50 4.18 0.00 4.37 1.02 -1.26 -5.05 118.68 116.43 3iyd s LEU 137 Ca -0.05 2.30 0.00 0.00 0.02 0.00 0.00 54.13 56.40 3iyd s LEU 137 Cb 0.01 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 42.16 3iyd s LEU 137 CO 0.07 -0.66 0.00 -0.90 0.02 0.00 0.00 176.35 174.88 3iyd n ASP 138 N 0.02 0.00 -0.04 2.29 3.85 -1.26 -4.66 116.55 116.76 3iyd n ASP 138 Ca 0.05 -0.53 -0.10 0.00 -0.71 0.00 0.00 54.79 53.49 3iyd n ASP 138 Cb 0.47 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.20 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 -0.08 1.06 -0.74 2.12 2.07 -1.96 -0.47 116.25 118.25 3iyd h VAL 139 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3iyd h VAL 139 Cb 0.00 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3iyd h VAL 139 CO 0.00 0.05 0.41 0.74 0.02 0.00 0.00 177.57 178.80 3iyd h THR 140 N 0.23 1.22 -0.19 2.57 2.02 -1.98 -1.96 112.91 114.83 3iyd h THR 140 Ca 0.07 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 3iyd h THR 140 Cb -0.01 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3iyd h THR 140 CO -0.01 0.24 -0.35 1.23 0.37 0.00 0.00 175.52 177.00 3iyd h GLY 141 N 1.01 0.62 0.91 2.16 0.00 -1.89 -2.26 103.07 103.62 3iyd h GLY 141 Ca 0.26 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3iyd h GLY 141 CO -0.04 0.65 0.01 3.21 0.00 0.00 0.00 176.54 180.36 3iyd h ARG 142 N 0.23 0.61 -0.28 4.80 3.08 -1.02 -2.86 114.38 118.93 3iyd h ARG 142 Ca 0.01 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 3iyd h ARG 142 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3iyd h ARG 142 CO 0.08 0.72 -0.26 0.82 -1.07 0.00 0.00 179.97 180.25 3iyd h ILE 143 N 0.42 1.27 -0.91 2.04 2.04 -1.44 -2.82 117.51 118.12 3iyd h ILE 143 Ca 0.10 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.69 3iyd h ILE 143 Cb 0.44 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 3iyd h ILE 143 CO 0.02 0.42 0.58 0.00 0.00 0.00 0.00 178.15 179.17 3iyd h ALA 144 N 1.24 1.22 -0.06 1.87 0.00 -1.26 -1.50 119.26 120.78 3iyd h ALA 144 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3iyd h ALA 144 Cb 0.71 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iyd h ALA 144 CO 0.05 0.41 -0.52 1.96 0.00 0.00 0.00 179.25 181.15 3iyd h GLN 145 N 1.11 0.16 -0.34 0.00 1.08 -1.35 -3.04 115.11 112.73 3iyd h GLN 145 Ca 0.38 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.40 3iyd h GLN 145 Cb 0.07 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3iyd h GLN 145 CO -0.14 0.64 -0.12 1.15 -0.95 0.00 0.00 178.83 179.41 3iyd h THR 146 N 0.13 1.24 -0.91 -0.54 2.02 -1.05 -2.12 112.91 111.68 3iyd h THR 146 Ca 0.00 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3iyd h THR 146 Cb 0.96 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 3iyd h THR 146 CO 0.08 0.36 0.61 -0.07 0.37 0.00 0.00 175.52 176.86 3iyd h LEU 147 N 0.54 1.04 -0.15 2.58 3.38 -1.27 -0.98 115.31 120.44 3iyd h LEU 147 Ca 0.10 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 3iyd h LEU 147 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3iyd h LEU 147 CO 0.03 0.75 -0.95 -0.07 0.09 0.00 0.00 178.44 178.29 3iyd h LEU 148 N 1.23 0.14 -0.54 1.67 -0.00 -1.57 -3.07 115.31 113.16 3iyd h LEU 148 Ca 0.34 -0.13 -0.13 0.00 -0.00 0.00 0.00 57.88 57.96 3iyd h LEU 148 Cb -0.13 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 3iyd h LEU 148 CO -0.08 1.01 -0.19 0.78 -0.00 0.00 0.00 178.44 179.96 3iyd h ASN 149 N 0.04 0.99 1.01 -0.43 2.35 -0.80 -2.87 115.58 115.88 3iyd h ASN 149 Ca -0.04 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 3iyd h ASN 149 Cb 1.64 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 3iyd h ASN 149 CO 0.14 1.15 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.71 3iyd h LEU 150 N 0.84 0.00 -0.82 1.61 3.38 -1.27 -2.91 115.31 116.14 3iyd h LEU 150 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3iyd h LEU 150 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3iyd h LEU 150 CO 0.06 0.29 -0.32 0.00 0.09 0.00 0.00 178.44 178.56 3iyd h ALA 151 N 1.71 0.95 0.00 1.53 0.00 -1.41 -2.85 119.26 119.19 3iyd h ALA 151 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3iyd h ALA 151 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3iyd h ALA 151 CO 0.04 0.40 -0.27 1.63 0.00 0.00 0.00 179.25 181.05 3iyd n LYS 152 N -3.40 0.24 -2.32 0.00 5.02 -1.10 -4.76 118.16 111.84 3iyd n LYS 152 Ca 0.00 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.07 3iyd n LYS 152 Cb 0.52 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.11 3.76 0.58 1.97 -1.52 -1.08 -4.93 119.66 115.34 3iyd s GLN 153 Ca 0.09 1.69 0.28 0.00 -1.95 0.00 0.00 55.36 55.47 3iyd s GLN 153 Cb 0.14 -2.35 1.70 0.00 -0.22 0.00 0.00 33.01 32.27 3iyd s GLN 153 CO 0.65 -0.53 2.19 -1.00 -0.25 0.00 0.00 175.29 176.35 3iyd h PRO 154 N 1.96 0.00 -0.20 2.91 0.13 -1.89 -1.08 132.00 133.84 3iyd h PRO 154 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3iyd h PRO 154 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3iyd h PRO 154 CO 0.60 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 3iyd n ASP 155 N -3.94 1.38 -4.81 1.44 5.68 -1.26 -4.90 116.55 110.14 3iyd n ASP 155 Ca -0.01 -1.81 -0.33 0.00 -0.50 0.00 0.00 54.79 52.14 3iyd n ASP 155 Cb 0.17 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.74 2.90 -0.33 2.12 0.00 -0.41 -4.90 121.76 119.40 3iyd s ALA 156 Ca 0.25 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 3iyd s ALA 156 Cb 0.13 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.10 3iyd s ALA 156 CO 0.19 -0.33 0.06 1.41 0.00 0.00 0.00 175.76 177.09 3iyd s MET 157 N -3.53 2.46 0.69 0.00 1.75 -0.54 -5.04 119.30 115.08 3iyd s MET 157 Ca 0.64 -1.30 -0.17 0.00 -1.25 0.00 0.00 55.69 53.62 3iyd s MET 157 Cb -0.14 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.22 3iyd s MET 157 CO 0.24 -0.69 1.27 -0.08 -0.65 0.00 0.00 175.02 175.11 3iyd s THR 158 N 1.30 2.05 -0.02 10.11 -1.32 -1.26 -0.43 115.64 126.06 3iyd s THR 158 Ca -0.02 0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3iyd s THR 158 Cb -0.20 -2.84 0.01 0.00 -1.51 0.00 0.00 72.50 67.96 3iyd s THR 158 CO 0.00 -0.01 0.06 -2.28 -2.21 0.00 0.00 174.62 170.18 3iyd s HIS 159 N -1.62 -0.07 0.54 9.09 5.04 -0.89 -4.65 115.29 122.73 3iyd s HIS 159 Ca 0.80 0.18 0.27 0.00 -1.54 0.00 0.00 55.06 54.76 3iyd s HIS 159 Cb -0.35 0.00 1.43 0.00 0.04 0.00 0.00 32.58 33.71 3iyd s HIS 159 CO 0.43 -0.04 1.97 -1.00 -2.34 0.00 0.00 174.74 173.75 3iyd h PRO 160 N 6.18 0.00 0.10 2.88 0.13 -2.01 -2.19 132.00 137.09 3iyd h PRO 160 Ca -0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.52 3iyd h PRO 160 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3iyd h PRO 160 CO 0.47 0.00 -1.92 -0.25 -0.23 0.00 0.00 178.00 176.07 3iyd n ASP 161 N -4.28 2.09 0.00 1.44 10.43 -1.26 -5.07 116.55 119.90 3iyd n ASP 161 Ca 0.11 0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.70 3iyd n ASP 161 Cb 0.68 -0.87 0.00 0.00 1.84 0.00 0.00 41.12 42.78 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 1.92 1.53 2.97 0.44 0.00 -0.82 -4.57 105.19 106.65 3iyd n GLY 162 Ca -0.33 0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 2.72 0.94 -0.21 1.61 -1.94 -1.22 -2.09 119.30 119.10 3iyd s MET 163 Ca 0.00 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 53.69 3iyd s MET 163 Cb 0.00 -0.88 -0.02 0.00 2.01 0.00 0.00 34.83 35.94 3iyd s MET 163 CO 0.00 0.05 -0.02 -1.14 -0.01 0.00 0.00 175.02 173.90 3iyd s GLN 164 N 0.40 3.48 0.11 2.03 0.74 0.42 -2.54 119.66 124.31 3iyd s GLN 164 Ca -0.06 -0.58 0.09 0.00 0.05 0.00 0.00 55.36 54.86 3iyd s GLN 164 Cb -0.10 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 3iyd s GLN 164 CO 0.01 -0.11 -0.22 0.96 -0.55 0.00 0.00 175.29 175.38 3iyd s ILE 165 N 1.29 1.79 -0.36 -2.34 -4.36 -1.21 -1.47 121.20 114.53 3iyd s ILE 165 Ca 0.04 -1.59 0.03 0.00 -0.26 0.00 0.00 60.65 58.87 3iyd s ILE 165 Cb -0.14 -1.63 0.10 0.00 1.25 0.00 0.00 42.46 42.04 3iyd s ILE 165 CO -0.00 -0.05 0.08 -0.54 0.24 0.00 0.00 174.94 174.67 3iyd s LYS 166 N -1.97 1.57 -0.13 0.37 1.02 -1.26 -3.05 119.74 116.30 3iyd s LYS 166 Ca 0.08 -1.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.04 3iyd s LYS 166 Cb -0.10 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 3iyd s LYS 166 CO 0.05 -0.97 0.33 -1.50 -0.92 0.00 0.00 175.35 172.34 3iyd s ILE 167 N 0.82 -0.02 0.61 2.17 2.07 -1.26 -5.10 121.20 120.49 3iyd s ILE 167 Ca 0.11 0.06 -0.17 0.00 -1.41 0.00 0.00 60.65 59.24 3iyd s ILE 167 Cb -0.20 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 3iyd s ILE 167 CO -0.07 0.02 1.12 0.42 -1.91 0.00 0.00 174.94 174.53 3iyd s THR 168 N 0.76 3.19 -1.51 4.00 -4.23 -1.26 -4.92 115.64 111.66 3iyd s THR 168 Ca -0.05 0.63 0.24 0.00 -1.18 0.00 0.00 61.69 61.33 3iyd s THR 168 Cb -0.06 -3.17 0.45 0.00 1.34 0.00 0.00 72.50 71.06 3iyd s THR 168 CO -0.05 -0.27 1.79 0.54 -0.54 0.00 0.00 174.62 176.09 3iyd n ARG 169 N -1.95 0.40 0.07 3.99 1.74 -1.26 -2.74 116.66 116.91 3iyd n ARG 169 Ca 0.11 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 3iyd n ARG 169 Cb 0.51 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.32 3iyd n ARG 169 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3iyd h GLN 170 N 0.00 0.23 0.00 5.56 4.20 -1.91 -3.21 115.11 119.99 3iyd h GLN 170 Ca 0.00 -0.39 -0.18 0.00 0.06 0.00 0.00 58.65 58.14 3iyd h GLN 170 Cb 0.19 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3iyd h GLN 170 CO 0.00 1.12 -0.84 0.93 -0.67 0.00 0.00 178.83 179.37 3iyd h GLU 171 N 0.06 0.09 -0.75 1.46 5.08 -1.90 -3.22 114.58 115.40 3iyd h GLU 171 Ca -0.19 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3iyd h GLU 171 Cb 1.98 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 3iyd h GLU 171 CO 0.17 0.87 0.23 0.82 -1.00 0.00 0.00 179.01 180.10 3iyd h ILE 172 N 0.05 1.26 0.00 3.13 2.04 -1.64 -1.99 117.51 120.36 3iyd h ILE 172 Ca -0.02 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3iyd h ILE 172 Cb 1.46 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3iyd h ILE 172 CO 0.12 0.36 0.00 1.23 0.00 0.00 0.00 178.15 179.86 3iyd h GLY 173 N 1.12 0.00 0.71 5.37 0.00 -1.56 -1.40 103.07 107.31 3iyd h GLY 173 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3iyd h GLY 173 CO -0.01 0.00 -0.46 -1.06 0.00 0.00 0.00 176.54 175.01 3iyd n GLN 174 N -2.65 0.24 -0.14 4.80 6.02 -0.77 -1.47 117.38 123.42 3iyd n GLN 174 Ca 0.00 -0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.59 3iyd n GLN 174 Cb 0.21 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.25 1.50 0.07 5.09 2.08 -0.61 -1.65 119.36 124.59 3iyd n ILE 175 Ca 0.07 -0.44 0.06 0.00 0.56 0.00 0.00 62.75 63.00 3iyd n ILE 175 Cb 0.34 -1.73 -0.04 0.00 -0.75 0.00 0.00 39.64 37.46 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 -3.92 0.90 -1.03 1.39 0.24 -0.74 -4.88 118.33 110.29 3iyd n VAL 176 Ca -0.52 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 3iyd n VAL 176 Cb 0.92 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 1.28 -0.08 0.72 7.63 0.00 -0.81 -4.97 105.19 108.96 3iyd n GLY 177 Ca -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.44 4.79 0.25 0.00 1.04 -1.26 -4.56 113.70 112.52 3iyd s SER 179 Ca 0.04 0.48 0.18 0.00 0.48 0.00 0.00 55.95 57.12 3iyd s SER 179 Cb -0.01 -1.11 0.06 0.00 0.10 0.00 0.00 66.02 65.06 3iyd s SER 179 CO 0.01 -1.62 1.27 0.08 0.98 0.00 0.00 173.24 173.97 3iyd h ARG 180 N -0.63 0.00 -0.16 4.02 0.11 -1.94 -3.31 114.38 112.48 3iyd h ARG 180 Ca -0.44 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.52 3iyd h ARG 180 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 3iyd h ARG 180 CO 0.61 0.27 -0.36 0.93 0.10 0.00 0.00 179.97 181.52 3iyd h GLU 181 N 0.00 0.52 -0.90 0.08 3.07 -1.94 -3.14 114.58 112.27 3iyd h GLU 181 Ca -0.04 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 3iyd h GLU 181 Cb 1.29 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.21 3iyd h GLU 181 CO 0.04 0.96 0.55 1.15 -1.40 0.00 0.00 179.01 180.31 3iyd h THR 182 N 0.15 1.24 -0.93 1.13 2.02 -1.98 -0.95 112.91 113.60 3iyd h THR 182 Ca 0.00 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3iyd h THR 182 Cb 0.96 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3iyd h THR 182 CO 0.08 0.25 0.54 0.58 0.37 0.00 0.00 175.52 177.34 3iyd h VAL 183 N 1.24 1.26 0.02 3.16 2.07 -1.64 -2.03 116.25 120.33 3iyd h VAL 183 Ca 0.32 -0.59 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 3iyd h VAL 183 Cb -0.07 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.68 3iyd h VAL 183 CO -0.06 0.28 -0.55 1.23 0.02 0.00 0.00 177.57 178.48 3iyd h GLY 184 N 1.29 0.38 1.34 2.17 0.00 -1.39 -1.81 103.07 105.05 3iyd h GLY 184 Ca 0.33 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3iyd h GLY 184 CO -0.06 0.62 0.38 3.21 0.00 0.00 0.00 176.54 180.70 3iyd h ARG 185 N -0.23 0.87 0.07 4.80 3.08 -1.14 -2.12 114.38 119.72 3iyd h ARG 185 Ca -0.07 -0.08 -0.25 0.00 0.07 0.00 0.00 59.98 59.65 3iyd h ARG 185 Cb 1.30 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3iyd h ARG 185 CO 0.11 0.62 -1.11 0.82 -1.07 0.00 0.00 179.97 179.33 3iyd h ILE 186 N 0.89 1.53 -0.72 2.04 5.03 -1.45 -2.94 117.51 121.90 3iyd h ILE 186 Ca 0.23 -3.01 0.07 0.00 -0.12 0.00 0.00 64.86 62.03 3iyd h ILE 186 Cb -0.03 2.81 -0.06 0.00 -3.03 0.00 0.00 36.82 36.51 3iyd h ILE 186 CO -0.04 0.88 0.40 0.25 -0.68 0.00 0.00 178.15 178.95 3iyd h LEU 187 N 0.08 0.57 0.00 1.44 5.85 -0.68 -0.89 115.31 121.68 3iyd h LEU 187 Ca -0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3iyd h LEU 187 Cb 1.83 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.79 3iyd h LEU 187 CO 0.18 0.35 -0.21 0.29 -0.34 0.00 0.00 178.44 178.70 3iyd n LYS 188 N -4.79 0.25 0.08 1.25 5.02 -0.94 -3.52 118.16 115.52 3iyd n LYS 188 Ca 0.10 0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 3iyd n LYS 188 Cb 0.21 -1.74 0.21 0.00 -0.02 0.00 0.00 35.03 33.70 3iyd n LYS 188 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3iyd h MET 189 N 0.00 0.27 0.00 1.97 4.05 -0.97 -2.62 114.93 117.63 3iyd h MET 189 Ca 0.00 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 3iyd h MET 189 Cb 0.72 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 3iyd h MET 189 CO 0.00 0.64 0.00 -0.07 0.23 0.00 0.00 176.91 177.71 3iyd h LEU 190 N 0.22 0.00 -0.71 3.39 3.38 -1.54 -3.22 115.31 116.83 3iyd h LEU 190 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3iyd h LEU 190 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3iyd h LEU 190 CO 0.07 0.00 -0.41 -0.33 0.09 0.00 0.00 178.44 177.86 3iyd h GLU 191 N 0.00 0.51 0.00 1.13 5.08 -1.58 -2.56 114.58 117.16 3iyd h GLU 191 Ca 0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 3iyd h GLU 191 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3iyd h GLU 191 CO 0.00 0.83 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.08 3iyd h ASP 192 N 0.42 0.00 -0.20 1.42 3.45 -1.58 -2.10 116.42 117.83 3iyd h ASP 192 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3iyd h ASP 192 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3iyd h ASP 192 CO 0.08 0.32 0.00 0.00 -1.57 0.00 0.00 179.24 178.07 3iyd n GLN 193 N -3.78 1.77 -3.30 3.56 6.02 -1.07 -4.96 117.38 115.61 3iyd n GLN 193 Ca -0.01 -1.16 -0.11 0.00 -0.01 0.00 0.00 57.00 55.71 3iyd n GLN 193 Cb 0.41 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.31 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 0.39 -6.79 0.00 1.08 5.15 -0.79 -4.97 115.26 109.33 3iyd n ASN 194 Ca 0.16 -0.46 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 3iyd n ASN 194 Cb 0.33 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 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 -2.51 0.78 0.00 1.20 4.77 -0.99 -5.05 117.00 115.21 3iyd n LEU 195 Ca -0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.87 3iyd n LEU 195 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3iyd n LEU 195 CO 0.58 0.05 -0.02 2.30 -1.33 0.00 0.00 177.39 178.97 3iyd n ILE 196 N -2.66 0.00 -3.79 -0.08 -5.35 -1.26 -3.67 119.36 102.55 3iyd n ILE 196 Ca 0.00 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 3iyd n ILE 196 Cb 0.38 0.17 -0.09 0.00 -1.74 0.00 0.00 39.64 38.36 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 -1.41 -0.12 -0.17 7.28 0.15 -0.66 -4.55 113.70 114.23 3iyd s SER 197 Ca 0.05 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 3iyd s SER 197 Cb 0.00 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.65 3iyd s SER 197 CO 0.04 -0.45 0.47 0.00 1.20 0.00 0.00 173.24 174.49 3iyd s ALA 198 N -1.55 -1.16 -0.39 5.45 0.00 -1.26 -1.39 121.76 121.46 3iyd s ALA 198 Ca -0.12 1.30 0.11 0.00 0.00 0.00 0.00 51.96 53.25 3iyd s ALA 198 Cb -0.05 -0.74 0.33 0.00 0.00 0.00 0.00 23.12 22.66 3iyd s ALA 198 CO 0.02 -0.23 0.71 0.72 0.00 0.00 0.00 175.76 176.99 3iyd n HIS 199 N 2.76 0.41 0.00 0.00 8.25 -0.91 -5.01 115.22 120.72 3iyd n HIS 199 Ca -0.14 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.53 3iyd n HIS 199 Cb 0.57 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.42 2.04 0.00 -1.41 0.00 -1.26 -4.24 105.19 100.74 3iyd n GLY 200 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 3.15 -1.90 1.61 4.81 -1.26 -5.00 118.16 119.57 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 -0.91 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 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 -1.81 3.36 -0.40 3.15 2.01 -1.26 -4.33 115.64 116.36 3iyd s THR 202 Ca 0.00 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 3iyd s THR 202 Cb 0.00 -3.48 0.09 0.00 0.01 0.00 0.00 72.50 69.12 3iyd s THR 202 CO 0.00 -0.30 0.20 -0.63 -0.69 0.00 0.00 174.62 173.20 3iyd s ILE 203 N 7.21 3.55 -0.45 1.82 1.01 -1.17 -2.14 121.20 131.02 3iyd s ILE 203 Ca 0.85 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3iyd s ILE 203 Cb -0.25 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3iyd s ILE 203 CO 0.34 -0.57 0.41 -0.69 0.00 0.00 0.00 174.94 174.43 3iyd s VAL 204 N 1.25 5.16 0.67 2.92 1.01 -0.49 -3.35 120.40 127.57 3iyd s VAL 204 Ca 0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3iyd s VAL 204 Cb -0.23 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.11 3iyd s VAL 204 CO -0.02 -0.52 0.97 0.68 0.00 0.00 0.00 175.10 176.22 3iyd s VAL 205 N 1.88 2.60 0.12 2.92 -7.23 -1.05 -1.65 120.40 118.00 3iyd s VAL 205 Ca 0.07 -0.23 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 3iyd s VAL 205 Cb -0.21 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 3iyd s VAL 205 CO 0.09 -0.10 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.32 3iyd s TYR 206 N -3.16 1.48 0.00 2.82 1.51 -1.24 -3.44 117.35 115.32 3iyd s TYR 206 Ca 0.59 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 3iyd s TYR 206 Cb -0.11 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3iyd s TYR 206 CO 0.44 0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.47 3iyd n GLY 207 N 0.57 3.16 3.78 0.71 0.00 -1.26 -5.00 105.19 107.15 3iyd n GLY 207 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.79 3.39 0.00 2.61 2.01 -1.26 -5.15 115.64 114.45 3iyd s THR 208 Ca 0.00 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.82 3iyd s THR 208 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.19 3iyd s THR 208 CO 0.00 -0.23 0.00 0.54 -0.69 0.00 0.00 174.62 174.24