#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kye n VAL 10 N 0.00 0.00 0.29 3.57 0.31 -1.26 -4.16 118.33 117.09 3kye n VAL 10 Ca 0.00 -0.09 0.15 0.00 -0.01 0.00 0.00 64.34 64.38 3kye n VAL 10 Cb 0.00 0.44 0.69 0.00 -0.91 0.00 0.00 33.84 34.06 3kye n VAL 10 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3kye h SER 11 N 0.88 0.00 -0.25 4.52 4.64 -1.97 -3.27 113.55 118.11 3kye h SER 11 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3kye h SER 11 Cb 0.52 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.38 3kye h SER 11 CO 0.00 0.00 -0.75 -0.67 -0.87 0.00 0.00 176.83 174.54 3kye n ASP 12 N -2.55 2.44 -1.90 4.97 4.64 -1.26 -4.58 116.55 118.31 3kye n ASP 12 Ca -0.00 -3.33 -0.11 0.00 -1.38 0.00 0.00 54.79 49.97 3kye n ASP 12 Cb 0.15 -0.43 0.22 0.00 -1.04 0.00 0.00 41.12 40.02 3kye n ASP 12 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3kye n LEU 13 N -0.67 5.72 -0.15 -2.67 4.32 -1.23 -4.51 117.00 117.81 3kye n LEU 13 Ca 0.22 -3.00 0.07 0.00 -0.02 0.00 0.00 56.01 53.28 3kye n LEU 13 Cb 0.86 -0.74 0.38 0.00 -1.62 0.00 0.00 43.42 42.30 3kye n LEU 13 CO 0.09 0.82 1.21 0.44 -1.22 0.00 0.00 177.39 178.73 3kye h ASP 14 N 1.70 0.60 0.07 -1.43 5.19 -1.85 0.41 116.42 121.11 3kye h ASP 14 Ca 0.35 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3kye h ASP 14 Cb 2.28 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 41.66 3kye h ASP 14 CO 0.75 0.39 -0.02 4.11 -3.12 0.00 0.00 179.24 181.35 3kye h TRP 15 N 0.69 0.00 -0.06 4.55 5.08 -1.91 -1.44 115.95 122.86 3kye h TRP 15 Ca 0.29 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.22 3kye h TRP 15 Cb 0.25 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.39 3kye h TRP 15 CO -0.00 0.02 0.04 -0.11 -1.28 0.00 0.00 178.44 177.11 3kye n LEU 16 N -3.73 3.29 0.00 0.11 7.94 0.14 -1.70 117.00 123.05 3kye n LEU 16 Ca -0.03 -1.65 0.00 0.00 -1.11 0.00 0.00 56.01 53.22 3kye n LEU 16 Cb 0.11 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.52 3kye n LEU 16 CO 0.27 0.55 0.00 -1.54 -1.11 0.00 0.00 177.39 175.56 3kye n SER 18 N 0.43 0.00 -0.26 1.96 3.41 -0.54 -1.96 113.62 116.65 3kye n SER 18 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3kye n SER 18 Cb 0.57 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.89 3kye n SER 18 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kye h GLY 19 N 0.00 1.18 0.43 5.00 0.00 -1.58 0.72 103.07 108.81 3kye h GLY 19 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3kye h GLY 19 CO 0.00 0.10 -0.06 -2.00 0.00 0.00 0.00 176.54 174.58 3kye h LEU 20 N 0.70 -0.14 -0.73 3.11 5.85 -1.68 -3.02 115.31 119.40 3kye h LEU 20 Ca 0.44 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kye h LEU 20 Cb 0.68 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3kye h LEU 20 CO -0.20 0.40 0.45 0.58 -0.34 0.00 0.00 178.44 179.33 3kye h VAL 21 N -0.74 1.05 0.00 1.05 2.07 -1.52 -0.79 116.25 117.37 3kye h VAL 21 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3kye h VAL 21 Cb 0.54 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3kye h VAL 21 CO 0.03 0.15 0.00 1.56 0.02 0.00 0.00 177.57 179.33 3kye h GLN 22 N 0.85 0.00 -0.01 1.57 4.20 0.30 -3.10 115.11 118.93 3kye h GLN 22 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3kye h GLN 22 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3kye h GLN 22 CO -0.14 0.00 -0.61 -2.13 -0.67 0.00 0.00 178.83 175.27 3kye n ARG 23 N -2.35 1.29 -3.58 1.46 0.63 -0.33 -4.72 116.66 109.05 3kye n ARG 23 Ca 0.01 -0.46 -0.29 0.00 -0.92 0.00 0.00 57.85 56.19 3kye n ARG 23 Cb 0.20 -1.36 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 3kye n ARG 23 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kye s VAL 24 N -2.42 0.56 0.43 5.15 0.11 -1.02 -5.03 120.40 118.18 3kye s VAL 24 Ca 0.11 -1.74 -0.22 0.00 -2.93 0.00 0.00 61.98 57.20 3kye s VAL 24 Cb 0.14 -1.41 -0.12 0.00 -1.53 0.00 0.00 36.38 33.46 3kye s VAL 24 CO 0.60 -0.88 0.61 -2.65 -3.33 0.00 0.00 175.10 169.46 3kye n PRO 25 N 4.22 0.67 -0.08 1.54 -0.02 -1.26 -1.61 135.00 138.46 3kye n PRO 25 Ca 0.06 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3kye n PRO 25 Cb 0.38 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3kye n PRO 25 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kye n HIS 26 N -0.88 0.00 -2.61 6.00 8.25 -1.26 -4.50 115.22 120.22 3kye n HIS 26 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 3kye n HIS 26 Cb 0.40 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 3kye n HIS 26 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kye s THR 27 N -3.03 3.92 0.00 1.59 -4.23 -0.63 -0.86 115.64 112.40 3kye s THR 27 Ca 0.00 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 3kye s THR 27 Cb 0.00 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3kye s THR 27 CO 0.00 -0.26 0.00 1.07 -0.54 0.00 0.00 174.62 174.89 3kye n THR 28 N -0.89 0.00 -3.64 3.99 5.66 0.15 -4.95 114.28 114.60 3kye n THR 28 Ca 0.09 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.93 3kye n THR 28 Cb 0.53 -0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 68.77 3kye n THR 28 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3kye s SER 29 N -2.49 -0.49 -0.03 1.09 0.01 -1.22 -4.42 113.70 106.14 3kye s SER 29 Ca 0.00 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 57.87 3kye s SER 29 Cb 0.00 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.87 3kye s SER 29 CO 0.00 -0.46 0.06 0.00 0.41 0.00 0.00 173.24 173.26 3kye s ALA 30 N -0.86 -0.08 -0.05 1.44 0.00 -0.34 -2.10 121.76 119.78 3kye s ALA 30 Ca -0.09 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3kye s ALA 30 Cb -0.03 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3kye s ALA 30 CO 0.06 -0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.73 3kye s VAL 31 N 0.71 0.76 -0.21 0.00 1.01 0.26 -0.88 120.40 122.05 3kye s VAL 31 Ca -0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3kye s VAL 31 Cb -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3kye s VAL 31 CO -0.03 0.27 0.04 -0.22 0.00 0.00 0.00 175.10 175.16 3kye s LEU 32 N 0.66 3.44 0.09 3.92 2.96 0.65 -0.40 118.68 130.00 3kye s LEU 32 Ca -0.11 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3kye s LEU 32 Cb -0.14 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3kye s LEU 32 CO 0.01 0.05 -0.09 -1.48 -1.32 0.00 0.00 176.35 173.53 3kye s LEU 33 N 1.08 2.41 0.49 -0.68 2.34 0.67 -0.37 118.68 124.61 3kye s LEU 33 Ca 0.03 -0.82 -0.19 0.00 0.06 0.00 0.00 54.13 53.22 3kye s LEU 33 Cb -0.14 -0.23 -0.08 0.00 -0.56 0.00 0.00 46.19 45.17 3kye s LEU 33 CO 0.02 -0.30 1.00 -0.94 -1.06 0.00 0.00 176.35 175.07 3kye s SER 34 N -2.45 6.53 0.00 1.48 1.04 -0.49 -0.61 113.70 119.20 3kye s SER 34 Ca 0.05 1.74 0.18 0.00 0.48 0.00 0.00 55.95 58.39 3kye s SER 34 Cb -0.02 -2.54 0.78 0.00 0.10 0.00 0.00 66.02 64.34 3kye s SER 34 CO -0.01 -0.65 1.57 0.00 0.98 0.00 0.00 173.24 175.13 3kye n ASP 36 N -1.48 0.19 0.00 0.00 3.85 -1.26 -4.80 116.55 113.05 3kye n ASP 36 Ca 0.05 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 3kye n ASP 36 Cb 0.20 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3kye n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kye n GLY 37 N 1.00 0.93 3.76 6.12 0.00 0.91 -4.98 105.19 112.94 3kye n GLY 37 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3kye n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kye s LEU 38 N 0.00 4.30 0.25 0.99 1.43 -1.22 -3.59 118.68 120.83 3kye s LEU 38 Ca 0.00 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3kye s LEU 38 Cb 0.00 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 3kye s LEU 38 CO 0.00 0.16 1.51 -0.69 0.23 0.00 0.00 176.35 177.56 3kye s VAL 39 N 0.06 2.47 -0.11 -1.59 1.01 -1.26 -1.39 120.40 119.59 3kye s VAL 39 Ca 0.19 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 3kye s VAL 39 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3kye s VAL 39 CO 0.06 0.05 -0.16 0.29 0.00 0.00 0.00 175.10 175.34 3kye n LYS 40 N 2.62 0.26 -4.07 2.72 5.02 0.50 -4.89 118.16 120.33 3kye n LYS 40 Ca 0.09 0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3kye n LYS 40 Cb 0.39 -0.95 -0.11 0.00 -0.02 0.00 0.00 35.03 34.35 3kye n LYS 40 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kye s SER 41 N -6.11 0.63 -0.10 4.39 0.01 -0.98 -4.30 113.70 107.24 3kye s SER 41 Ca -0.17 -0.74 -0.26 0.00 1.31 0.00 0.00 55.95 56.09 3kye s SER 41 Cb 0.06 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.46 3kye s SER 41 CO 0.22 -0.39 0.61 0.54 0.41 0.00 0.00 173.24 174.63 3kye s VAL 42 N -2.52 0.01 -0.02 3.43 0.11 -1.26 -0.25 120.40 119.90 3kye s VAL 42 Ca -0.03 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3kye s VAL 42 Cb -0.02 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3kye s VAL 42 CO -0.04 -0.04 -0.01 -2.28 -3.33 0.00 0.00 175.10 169.40 3kye s HIS 43 N -0.73 0.33 0.00 1.54 2.46 -0.06 -4.74 115.29 114.09 3kye s HIS 43 Ca -0.08 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.42 3kye s HIS 43 Cb -0.02 -0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.08 3kye s HIS 43 CO 0.06 -0.09 0.00 0.41 -2.47 0.00 0.00 174.74 172.65 3kye n GLY 44 N 3.73 0.45 3.23 1.59 0.00 -1.26 -1.20 105.19 111.73 3kye n GLY 44 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3kye n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kye s LEU 45 N 0.00 2.21 0.77 0.99 1.43 -1.26 -4.77 118.68 118.04 3kye s LEU 45 Ca 0.00 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 3kye s LEU 45 Cb 0.00 -0.83 0.05 0.00 0.03 0.00 0.00 46.19 45.44 3kye s LEU 45 CO 0.00 0.08 1.08 1.51 0.23 0.00 0.00 176.35 179.26 3kye s ASP 46 N -1.41 4.72 0.30 2.29 3.84 -1.26 -4.77 116.67 120.37 3kye s ASP 46 Ca 0.05 1.48 0.03 0.00 -0.00 0.00 0.00 52.55 54.12 3kye s ASP 46 Cb -0.09 -2.26 0.78 0.00 -1.38 0.00 0.00 42.92 39.97 3kye s ASP 46 CO 0.02 -1.85 1.61 -0.65 -0.00 0.00 0.00 175.17 174.30 3kye h PRO 47 N -1.00 0.09 -0.09 2.11 0.11 -2.00 -0.46 132.00 130.75 3kye h PRO 47 Ca -0.46 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3kye h PRO 47 Cb 1.25 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kye h PRO 47 CO 0.57 0.06 -0.65 -0.44 -0.21 0.00 0.00 178.00 177.33 3kye h ASP 48 N 0.10 0.74 -0.59 -2.05 3.32 -2.00 -2.40 116.42 113.54 3kye h ASP 48 Ca 0.60 -0.66 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3kye h ASP 48 Cb 1.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3kye h ASP 48 CO -0.78 1.29 0.27 0.28 -1.72 0.00 0.00 179.24 178.58 3kye h SER 49 N 0.24 0.81 -0.39 6.45 0.02 -1.70 -2.45 113.55 116.53 3kye h SER 49 Ca -0.05 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 3kye h SER 49 Cb 1.30 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3kye h SER 49 CO 0.13 0.70 -0.14 0.00 -1.14 0.00 0.00 176.83 176.39 3kye h ALA 50 N 1.42 0.54 -0.81 3.77 0.00 -1.09 -2.70 119.26 120.39 3kye h ALA 50 Ca 0.21 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kye h ALA 50 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kye h ALA 50 CO -0.02 0.44 0.53 -0.44 0.00 0.00 0.00 179.25 179.77 3kye h ASP 51 N 0.58 0.92 0.00 0.00 3.32 -1.28 0.97 116.42 120.94 3kye h ASP 51 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kye h ASP 51 Cb 0.67 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3kye h ASP 51 CO 0.05 0.66 0.00 1.57 -1.72 0.00 0.00 179.24 179.80 3kye n HIS 52 N -4.42 0.00 0.00 4.55 -0.00 -0.94 -1.60 115.22 112.82 3kye n HIS 52 Ca 0.09 -0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3kye n HIS 52 Cb 0.04 -0.13 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 3kye n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3kye n ALA 54 N 0.46 0.00 -0.24 1.57 0.00 0.34 -1.53 120.51 121.11 3kye n ALA 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3kye n ALA 54 Cb 0.23 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.72 3kye n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kye h ALA 55 N 0.00 0.85 -0.17 0.00 0.00 -1.35 -1.94 119.26 116.64 3kye h ALA 55 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kye h ALA 55 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kye h ALA 55 CO 0.00 0.45 -0.03 -0.07 0.00 0.00 0.00 179.25 179.60 3kye h LEU 56 N 0.92 0.32 -0.82 0.00 3.38 -1.56 -2.19 115.31 115.36 3kye h LEU 56 Ca 0.22 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3kye h LEU 56 Cb 0.18 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3kye h LEU 56 CO -0.02 0.59 0.44 0.00 0.09 0.00 0.00 178.44 179.54 3kye h ALA 57 N 0.74 1.05 -0.30 1.53 0.00 -1.80 0.19 119.26 120.65 3kye h ALA 57 Ca 0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3kye h ALA 57 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kye h ALA 57 CO 0.01 0.57 -0.44 0.66 0.00 0.00 0.00 179.25 180.05 3kye h SER 58 N 1.14 0.84 -0.75 0.00 4.64 -1.34 -0.23 113.55 117.86 3kye h SER 58 Ca 0.29 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3kye h SER 58 Cb 0.04 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 3kye h SER 58 CO -0.04 1.15 0.40 1.23 -0.87 0.00 0.00 176.83 178.70 3kye h GLY 59 N 0.88 1.12 1.03 -0.77 0.00 -0.88 -0.49 103.07 103.96 3kye h GLY 59 Ca 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 3kye h GLY 59 CO 0.10 0.50 0.07 1.41 0.00 0.00 0.00 176.54 178.61 3kye h LEU 60 N 1.03 0.92 -0.32 3.11 3.38 -0.66 0.12 115.31 122.89 3kye h LEU 60 Ca 0.26 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kye h LEU 60 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kye h LEU 60 CO -0.04 0.96 -0.03 0.22 0.09 0.00 0.00 178.44 179.64 3kye h TYR 61 N 0.84 0.64 0.36 1.13 3.20 -0.91 0.17 116.97 122.40 3kye h TYR 61 Ca 0.17 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kye h TYR 61 Cb 0.45 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3kye h TYR 61 CO 0.03 0.73 -0.43 0.77 -1.64 0.00 0.00 178.16 177.63 3kye h SER 62 N 0.37 -1.18 -0.71 -2.11 0.02 -0.78 0.79 113.55 109.94 3kye h SER 62 Ca 0.09 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3kye h SER 62 Cb 0.49 0.40 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 3kye h SER 62 CO 0.02 -0.56 0.43 -0.07 -1.14 0.00 0.00 176.83 175.51 3kye h LEU 63 N -0.82 0.66 -0.29 5.07 3.38 -0.89 0.90 115.31 123.32 3kye h LEU 63 Ca -0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kye h LEU 63 Cb 0.75 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3kye h LEU 63 CO -0.10 0.44 -0.20 1.23 0.09 0.00 0.00 178.44 179.90 3kye h GLY 64 N 0.80 -0.02 1.27 0.83 0.00 -0.77 -0.36 103.07 104.81 3kye h GLY 64 Ca 0.31 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 3kye h GLY 64 CO -0.15 -0.19 0.10 -0.09 0.00 0.00 0.00 176.54 176.21 3kye h ARG 65 N -0.18 0.90 -0.65 4.80 2.43 0.47 -2.47 114.38 119.68 3kye h ARG 65 Ca 0.15 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3kye h ARG 65 Cb 0.41 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3kye h ARG 65 CO -0.40 0.83 0.15 0.77 -1.51 0.00 0.00 179.97 179.82 3kye h SER 66 N 0.85 0.98 -0.49 -3.80 0.02 -0.31 -1.37 113.55 109.43 3kye h SER 66 Ca 0.18 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3kye h SER 66 Cb 0.37 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3kye h SER 66 CO 0.01 0.95 0.26 0.00 -1.14 0.00 0.00 176.83 176.90 3kye h ALA 67 N 1.17 0.63 -0.49 3.77 0.00 -0.84 0.42 119.26 123.92 3kye h ALA 67 Ca 0.21 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3kye h ALA 67 Cb 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3kye h ALA 67 CO 0.00 -0.08 0.19 0.78 0.00 0.00 0.00 179.25 180.15 3kye h GLY 68 N 0.51 0.65 0.85 0.00 0.00 -1.10 0.75 103.07 104.74 3kye h GLY 68 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3kye h GLY 68 CO -0.13 0.04 -0.19 -2.22 0.00 0.00 0.00 176.54 174.04 3kye h ILE 69 N 0.38 0.62 -0.12 2.60 2.04 -0.65 -2.54 117.51 119.83 3kye h ILE 69 Ca 0.23 -0.27 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 3kye h ILE 69 Cb 0.21 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3kye h ILE 69 CO -0.21 0.05 -0.56 -0.09 0.00 0.00 0.00 178.15 177.34 3kye h ARG 70 N -0.68 0.37 -2.60 2.37 9.65 0.03 -3.36 114.38 120.16 3kye h ARG 70 Ca -0.05 -0.23 -0.60 0.00 -1.10 0.00 0.00 59.98 57.99 3kye h ARG 70 Cb 0.49 0.03 -0.41 0.00 -1.39 0.00 0.00 29.97 28.68 3kye h ARG 70 CO 0.09 0.83 -0.69 1.19 2.80 0.00 0.00 179.97 184.19 3kye n PHE 71 N -3.93 2.43 0.00 2.20 3.01 0.26 -5.04 117.46 116.39 3kye n PHE 71 Ca -0.03 -4.05 0.00 0.00 1.01 0.00 0.00 57.45 54.38 3kye n PHE 71 Cb 0.60 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3kye n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kye n GLY 72 N 1.69 2.96 1.53 1.37 0.00 -1.15 -4.46 105.19 107.13 3kye n GLY 72 Ca 0.25 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3kye n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kye n ASP 73 N 0.00 0.93 -2.02 1.61 5.75 -1.26 -4.62 116.55 116.94 3kye n ASP 73 Ca 0.00 -0.94 -0.16 0.00 -0.01 0.00 0.00 54.79 53.68 3kye n ASP 73 Cb 0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 3kye n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kye n GLY 74 N 1.49 0.35 3.74 6.12 0.00 -0.97 -4.91 105.19 111.01 3kye n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kye n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kye n GLY 75 N -0.65 1.22 3.75 -0.02 0.00 -1.25 -4.67 105.19 103.57 3kye n GLY 75 Ca -0.18 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3kye n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kye n ASP 76 N 1.77 3.68 -4.70 1.61 9.92 -1.26 -4.59 116.55 122.99 3kye n ASP 76 Ca 0.07 1.19 -0.43 0.00 -0.53 0.00 0.00 54.79 55.09 3kye n ASP 76 Cb 0.37 -1.59 -0.03 0.00 -0.64 0.00 0.00 41.12 39.22 3kye n ASP 76 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kye n VAL 77 N 1.12 0.14 0.10 2.53 0.31 -1.26 -4.91 118.33 116.36 3kye n VAL 77 Ca 0.05 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.16 3kye n VAL 77 Cb 0.37 -1.92 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 3kye n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3kye h ARG 78 N 7.24 0.33 -1.34 5.55 3.08 -1.95 -3.44 114.38 123.85 3kye h ARG 78 Ca -0.45 -0.57 0.14 0.00 0.07 0.00 0.00 59.98 59.18 3kye h ARG 78 Cb 1.22 0.21 -0.27 0.00 0.08 0.00 0.00 29.97 31.22 3kye h ARG 78 CO 0.94 1.24 0.70 -1.14 -1.07 0.00 0.00 179.97 180.63 3kye s GLN 79 N -2.62 0.33 -0.08 0.04 0.74 -1.26 -4.53 119.66 112.28 3kye s GLN 79 Ca -0.08 0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.56 3kye s GLN 79 Cb 0.06 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.31 3kye s GLN 79 CO 0.88 -0.08 -0.17 0.08 -0.55 0.00 0.00 175.29 175.45 3kye s VAL 80 N -0.58 2.74 -0.10 1.34 1.01 0.57 -4.98 120.40 120.41 3kye s VAL 80 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3kye s VAL 80 Cb -0.02 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kye s VAL 80 CO -0.06 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3kye s VAL 81 N -0.23 1.48 -0.17 2.92 1.01 -1.26 -0.79 120.40 123.36 3kye s VAL 81 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3kye s VAL 81 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3kye s VAL 81 CO 0.03 0.43 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3kye s VAL 82 N 0.82 4.32 -0.33 2.92 1.01 0.27 -4.97 120.40 124.45 3kye s VAL 82 Ca -0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3kye s VAL 82 Cb -0.16 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3kye s VAL 82 CO 0.01 0.47 0.12 -0.70 0.00 0.00 0.00 175.10 175.00 3kye s GLU 83 N 0.42 2.88 0.53 2.72 2.12 -1.26 -1.40 118.70 124.72 3kye s GLU 83 Ca -0.00 -1.01 0.08 0.00 0.36 0.00 0.00 54.97 54.39 3kye s GLU 83 Cb -0.13 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.83 3kye s GLU 83 CO 0.02 -0.57 0.73 -0.51 -0.54 0.00 0.00 175.26 174.39 3kye s LEU 84 N 1.48 3.29 0.19 2.70 1.43 0.03 -5.02 118.68 122.79 3kye s LEU 84 Ca 0.01 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3kye s LEU 84 Cb -0.18 -2.09 0.15 0.00 0.03 0.00 0.00 46.19 44.10 3kye s LEU 84 CO 0.04 -1.18 1.83 -2.24 0.23 0.00 0.00 176.35 175.03 3kye h ASP 85 N 0.27 0.61 -0.01 2.29 2.03 -2.05 -3.30 116.42 116.26 3kye h ASP 85 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 3kye h ASP 85 Cb 1.28 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3kye h ASP 85 CO 0.43 0.42 -0.00 -1.54 -1.03 0.00 0.00 179.24 177.52 3kye n SER 86 N -4.73 1.83 -3.40 4.15 3.41 -1.26 -5.05 113.62 108.57 3kye n SER 86 Ca 0.06 -1.41 -0.04 0.00 -0.26 0.00 0.00 58.87 57.21 3kye n SER 86 Cb 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3kye n SER 86 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kye s THR 87 N -0.84 0.00 0.07 6.66 -1.32 -1.24 -4.61 115.64 114.36 3kye s THR 87 Ca 0.12 -0.69 0.07 0.00 -1.21 0.00 0.00 61.69 59.98 3kye s THR 87 Cb 0.08 -2.63 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3kye s THR 87 CO 0.13 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.58 3kye s LEU 88 N -3.22 2.24 -0.20 9.08 1.02 0.53 -0.79 118.68 127.33 3kye s LEU 88 Ca 0.18 -0.60 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 3kye s LEU 88 Cb -0.03 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.35 3kye s LEU 88 CO 0.06 0.08 -0.13 -0.22 0.02 0.00 0.00 176.35 176.15 3kye s LEU 89 N -1.56 2.55 -0.13 1.79 2.96 -0.49 -0.70 118.68 123.10 3kye s LEU 89 Ca 0.05 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 3kye s LEU 89 Cb -0.09 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3kye s LEU 89 CO 0.03 -0.03 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.66 3kye s PHE 90 N 1.34 3.11 -0.09 5.38 0.08 0.39 -0.56 117.98 127.63 3kye s PHE 90 Ca 0.04 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3kye s PHE 90 Cb -0.14 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3kye s PHE 90 CO -0.09 0.19 -0.07 0.08 -0.10 0.00 0.00 175.22 175.24 3kye s VAL 91 N -0.13 0.87 0.28 -0.44 1.01 0.03 -0.24 120.40 121.79 3kye s VAL 91 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3kye s VAL 91 Cb -0.13 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 3kye s VAL 91 CO 0.02 0.33 0.07 -0.94 0.00 0.00 0.00 175.10 174.58 3kye s SER 92 N 1.49 1.67 0.68 3.32 1.04 -0.78 -0.31 113.70 120.81 3kye s SER 92 Ca -0.00 -1.37 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 3kye s SER 92 Cb -0.13 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.06 3kye s SER 92 CO -0.05 -0.67 1.19 -0.89 0.98 0.00 0.00 173.24 173.81 3kye s THR 93 N -3.56 2.55 -0.11 2.02 2.01 -1.26 -1.00 115.64 116.29 3kye s THR 93 Ca 0.36 0.29 0.15 0.00 0.31 0.00 0.00 61.69 62.80 3kye s THR 93 Cb 0.08 -2.91 0.34 0.00 0.01 0.00 0.00 72.50 70.02 3kye s THR 93 CO 0.14 -0.13 1.16 0.00 -0.69 0.00 0.00 174.62 175.11 3kye n ALA 94 N -2.34 2.81 0.00 7.40 0.00 0.52 -4.59 120.51 124.31 3kye n ALA 94 Ca 0.13 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.97 3kye n ALA 94 Cb 0.50 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3kye n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kye n GLY 95 N -0.56 1.62 3.71 0.00 0.00 -1.25 -4.76 105.19 103.95 3kye n GLY 95 Ca 0.12 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3kye n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kye n SER 96 N 0.00 3.84 0.00 1.61 3.41 -1.26 -1.55 113.62 119.67 3kye n SER 96 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 3kye n SER 96 Cb 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.40 3kye n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kye n GLY 97 N 3.67 0.56 3.01 5.00 0.00 -1.26 -4.98 105.19 111.19 3kye n GLY 97 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 3kye n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kye s THR 98 N -2.50 0.37 0.09 2.61 2.01 -0.60 -1.01 115.64 116.61 3kye s THR 98 Ca 0.00 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 3kye s THR 98 Cb 0.00 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 3kye s THR 98 CO 0.00 -0.31 0.19 0.00 -0.69 0.00 0.00 174.62 173.80 3kye s LEU 100 N -2.83 2.69 -0.12 0.00 2.96 -0.17 -0.24 118.68 120.97 3kye s LEU 100 Ca 0.05 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3kye s LEU 100 Cb 0.05 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.16 3kye s LEU 100 CO -0.11 0.20 -0.14 0.00 -1.32 0.00 0.00 176.35 174.98 3kye s ALA 101 N 0.15 1.73 -0.11 5.97 0.00 0.46 -1.86 121.76 128.11 3kye s ALA 101 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3kye s ALA 101 Cb -0.15 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3kye s ALA 101 CO 0.05 -0.20 -0.18 0.08 0.00 0.00 0.00 175.76 175.51 3kye s VAL 102 N 1.21 1.66 -0.19 0.00 1.01 0.67 -0.57 120.40 124.17 3kye s VAL 102 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 3kye s VAL 102 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kye s VAL 102 CO -0.05 0.47 0.30 -0.76 0.00 0.00 0.00 175.10 175.06 3kye s LEU 103 N 0.83 4.18 -0.07 3.92 1.43 -0.89 -0.46 118.68 127.62 3kye s LEU 103 Ca -0.09 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 3kye s LEU 103 Cb -0.16 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3kye s LEU 103 CO 0.00 0.03 0.22 0.00 0.23 0.00 0.00 176.35 176.83 3kye s ALA 104 N 0.90 -0.54 0.72 4.21 0.00 0.12 -0.68 121.76 126.50 3kye s ALA 104 Ca 0.15 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 3kye s ALA 104 Cb -0.14 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.72 3kye s ALA 104 CO 0.05 -0.13 1.13 0.20 0.00 0.00 0.00 175.76 177.02 3kye s GLY 105 N -0.13 2.06 0.62 0.00 0.00 -0.04 -0.35 107.32 109.48 3kye s GLY 105 Ca -0.02 0.56 0.33 0.00 0.00 0.00 0.00 44.72 45.58 3kye s GLY 105 CO 0.01 0.93 2.14 -0.09 0.00 0.00 0.00 173.10 176.08 3kye h ARG 106 N -0.41 0.00 0.00 2.90 2.43 -1.91 0.41 114.38 117.80 3kye h ARG 106 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3kye h ARG 106 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3kye h ARG 106 CO 0.52 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 178.13 3kye n GLU 107 N -3.48 0.69 -2.31 0.20 0.00 -1.26 -4.80 120.64 109.69 3kye n GLU 107 Ca -0.00 0.01 -0.41 0.00 0.00 0.00 0.00 57.16 56.76 3kye n GLU 107 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.18 3kye n GLU 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kye s ALA 108 N -2.18 3.47 -0.32 -1.84 0.00 0.14 -4.94 121.76 116.10 3kye s ALA 108 Ca 0.35 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 3kye s ALA 108 Cb 0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3kye s ALA 108 CO 0.34 -0.44 1.69 0.34 0.00 0.00 0.00 175.76 177.69 3kye s ASP 109 N 0.14 6.08 0.36 0.00 -1.08 -1.26 -4.86 116.67 116.05 3kye s ASP 109 Ca 0.54 1.30 0.19 0.00 -0.52 0.00 0.00 52.55 54.06 3kye s ASP 109 Cb -0.34 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.00 3kye s ASP 109 CO 0.38 -1.56 1.61 0.00 0.52 0.00 0.00 175.17 176.12 3kye h ALA 110 N 12.02 0.84 -0.33 3.66 0.00 -1.92 0.10 119.26 133.63 3kye h ALA 110 Ca -0.33 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3kye h ALA 110 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kye h ALA 110 CO 1.03 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 180.69 3kye h ALA 111 N 1.66 0.45 -0.33 0.00 0.00 -1.99 -1.37 119.26 117.68 3kye h ALA 111 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3kye h ALA 111 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kye h ALA 111 CO 0.04 0.22 -0.36 0.28 0.00 0.00 0.00 179.25 179.44 3kye h VAL 112 N 0.40 1.28 -0.63 0.00 2.07 -1.88 -1.96 116.25 115.53 3kye h VAL 112 Ca 0.09 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 3kye h VAL 112 Cb 0.47 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3kye h VAL 112 CO 0.02 0.49 0.16 0.25 0.02 0.00 0.00 177.57 178.52 3kye h LEU 113 N 0.62 0.91 -0.01 2.57 6.46 -0.97 -0.62 115.31 124.27 3kye h LEU 113 Ca 0.06 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3kye h LEU 113 Cb 0.89 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 3kye h LEU 113 CO 0.08 0.88 0.01 1.23 -0.62 0.00 0.00 178.44 180.01 3kye h GLY 114 N 1.04 0.02 0.62 3.75 0.00 -1.07 -2.89 103.07 104.53 3kye h GLY 114 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3kye h GLY 114 CO -0.00 0.01 -0.13 -0.97 0.00 0.00 0.00 176.54 175.44 3kye h TYR 115 N -0.08 -0.34 0.00 5.60 0.05 -1.15 -1.91 116.97 119.13 3kye h TYR 115 Ca 0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3kye h TYR 115 Cb 0.10 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3kye h TYR 115 CO -0.04 -0.20 0.00 0.39 -1.05 0.00 0.00 178.16 177.26 3kye n GLU 116 N -5.27 0.10 -0.62 4.88 -0.58 -0.26 -4.60 120.64 114.30 3kye n GLU 116 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3kye n GLU 116 Cb 0.19 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3kye n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kye n ALA 118 N 0.73 -0.12 0.00 0.62 0.00 -0.72 -4.67 120.51 116.35 3kye n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kye n ALA 118 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3kye n ALA 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kye n LEU 120 N -0.35 0.00 -0.13 0.00 0.00 -1.26 -2.43 117.00 112.82 3kye n LEU 120 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 3kye n LEU 120 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.50 3kye n LEU 120 CO 0.00 0.00 1.01 0.58 0.00 0.00 0.00 177.39 178.98 3kye h VAL 121 N 0.00 1.00 -0.10 1.96 2.07 -1.91 -0.45 116.25 118.83 3kye h VAL 121 Ca 0.00 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kye h VAL 121 Cb 0.00 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kye h VAL 121 CO 0.00 0.08 -0.01 0.11 0.02 0.00 0.00 177.57 177.77 3kye h LYS 122 N 0.45 0.14 0.00 1.57 1.57 -1.85 -2.35 116.57 116.10 3kye h LYS 122 Ca 0.17 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 3kye h LYS 122 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kye h LYS 122 CO -0.10 0.17 -0.59 0.77 -0.57 0.00 0.00 179.45 179.12 3kye h SER 123 N 0.14 0.00 0.53 0.86 0.02 -1.54 -3.09 113.55 110.47 3kye h SER 123 Ca 0.03 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3kye h SER 123 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3kye h SER 123 CO 0.00 0.59 -0.36 0.58 -1.14 0.00 0.00 176.83 176.50 3kye h VAL 124 N 0.00 1.07 -0.73 2.27 2.07 -0.60 -3.35 116.25 116.99 3kye h VAL 124 Ca -0.01 -1.32 0.11 0.00 0.82 0.00 0.00 66.70 66.31 3kye h VAL 124 Cb 1.39 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.83 3kye h VAL 124 CO 0.08 0.35 0.33 -0.09 0.02 0.00 0.00 177.57 178.26 3kye h ARG 125 N 0.00 0.52 0.00 1.57 2.43 -1.40 0.18 114.38 117.69 3kye h ARG 125 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3kye h ARG 125 Cb 0.72 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3kye h ARG 125 CO 0.05 0.34 0.00 -1.35 -1.51 0.00 0.00 179.97 177.50 3kye h PRO 126 N 0.54 0.00 0.00 0.20 0.11 -1.78 -2.04 132.00 129.03 3kye h PRO 126 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3kye h PRO 126 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3kye h PRO 126 CO -0.32 0.00 -0.52 0.66 -0.21 0.00 0.00 178.00 177.61 3kye n TYR 127 N -2.66 0.39 -0.64 0.65 4.01 0.63 -2.72 117.16 116.83 3kye n TYR 127 Ca -0.00 0.11 -0.12 0.00 -0.16 0.00 0.00 57.90 57.74 3kye n TYR 127 Cb 0.18 -0.55 0.03 0.00 -0.31 0.00 0.00 39.34 38.69 3kye n TYR 127 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kye n LEU 128 N -1.91 5.89 0.00 7.72 4.77 -0.77 -3.52 117.00 129.18 3kye n LEU 128 Ca 0.04 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 3kye n LEU 128 Cb 0.40 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3kye n LEU 128 CO 0.35 1.10 0.00 1.07 -1.33 0.00 0.00 177.39 178.58