#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kye s SER 11 N 0.00 6.62 -0.25 4.52 1.04 -1.26 -5.05 113.70 119.33 3kye s SER 11 Ca 0.00 0.81 -0.26 0.00 0.48 0.00 0.00 55.95 56.98 3kye s SER 11 Cb 0.00 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3kye s SER 11 CO 0.00 0.08 0.90 -0.62 0.98 0.00 0.00 173.24 174.57 3kye s ASP 12 N -2.06 6.90 0.00 7.02 3.68 -1.26 -4.90 116.67 126.05 3kye s ASP 12 Ca 0.39 1.11 0.24 0.00 2.13 0.00 0.00 52.55 56.42 3kye s ASP 12 Cb -0.13 -2.47 0.41 0.00 -1.45 0.00 0.00 42.92 39.28 3kye s ASP 12 CO 0.21 -0.58 1.38 0.18 0.13 0.00 0.00 175.17 176.49 3kye n LEU 13 N 6.15 2.96 -0.33 -1.34 4.77 -1.26 -4.34 117.00 123.61 3kye n LEU 13 Ca 0.08 -1.14 0.17 0.00 -0.03 0.00 0.00 56.01 55.09 3kye n LEU 13 Cb 0.47 -0.11 0.40 0.00 -2.33 0.00 0.00 43.42 41.85 3kye n LEU 13 CO 0.49 0.57 1.20 0.44 -1.33 0.00 0.00 177.39 178.76 3kye h ASP 14 N 4.22 0.64 -0.35 -1.43 5.19 -1.91 -0.96 116.42 121.81 3kye h ASP 14 Ca 0.00 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 3kye h ASP 14 Cb 0.91 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3kye h ASP 14 CO 0.00 0.17 -0.14 -0.25 -3.12 0.00 0.00 179.24 175.90 3kye h TRP 15 N 0.59 0.90 0.00 4.55 2.91 -1.90 -0.79 115.95 122.21 3kye h TRP 15 Ca 0.59 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 60.43 3kye h TRP 15 Cb 1.17 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 3kye h TRP 15 CO -0.00 0.90 0.00 1.28 -1.03 0.00 0.00 178.44 179.58 3kye n LEU 16 N -4.15 0.23 0.00 0.65 4.77 -0.37 -1.05 117.00 117.10 3kye n LEU 16 Ca 0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3kye n LEU 16 Cb 0.39 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kye n LEU 16 CO 0.44 0.04 0.00 -1.20 -1.33 0.00 0.00 177.39 175.34 3kye n SER 18 N 0.89 0.00 -0.25 -1.43 7.64 -0.30 -2.61 113.62 117.56 3kye n SER 18 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 3kye n SER 18 Cb 0.04 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.40 3kye n SER 18 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kye h GLY 19 N 0.00 1.11 0.90 0.23 0.00 -1.36 0.11 103.07 104.07 3kye h GLY 19 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3kye h GLY 19 CO 0.00 0.00 0.10 -2.00 0.00 0.00 0.00 176.54 174.64 3kye h LEU 20 N 0.55 0.42 -1.27 3.11 5.85 -1.78 -1.90 115.31 120.30 3kye h LEU 20 Ca 0.38 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3kye h LEU 20 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3kye h LEU 20 CO -0.32 0.50 0.51 0.58 -0.34 0.00 0.00 178.44 179.37 3kye h VAL 21 N 0.31 1.14 -0.30 1.05 2.07 -1.46 -2.94 116.25 116.13 3kye h VAL 21 Ca 0.09 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3kye h VAL 21 Cb 0.23 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kye h VAL 21 CO -0.00 0.18 -0.18 1.56 0.02 0.00 0.00 177.57 179.14 3kye h GLN 22 N 0.96 0.65 0.00 1.57 7.50 -0.59 -3.29 115.11 121.92 3kye h GLN 22 Ca 0.30 -0.30 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3kye h GLN 22 Cb 0.01 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3kye h GLN 22 CO -0.08 0.89 0.00 0.54 -1.50 0.00 0.00 178.83 178.68 3kye n ARG 23 N -4.36 0.21 -3.84 1.46 1.74 -0.74 -4.53 116.66 106.60 3kye n ARG 23 Ca -0.03 0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 57.12 3kye n ARG 23 Cb 0.40 -1.86 -0.15 0.00 -1.02 0.00 0.00 32.46 29.83 3kye n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kye s VAL 24 N -3.26 1.26 0.23 1.55 1.01 -1.15 -5.10 120.40 114.93 3kye s VAL 24 Ca 0.06 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.28 3kye s VAL 24 Cb 0.10 -1.82 -0.14 0.00 0.00 0.00 0.00 36.38 34.52 3kye s VAL 24 CO 0.44 -0.48 1.22 -2.65 0.00 0.00 0.00 175.10 173.64 3kye n PRO 25 N 4.72 1.57 0.00 2.72 -0.02 -1.26 -1.95 135.00 140.77 3kye n PRO 25 Ca -0.04 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kye n PRO 25 Cb 0.43 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.26 0.00 -1.36 6.00 8.25 -1.26 -4.51 115.22 123.59 3kye n HIS 26 Ca 0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 3kye n HIS 26 Cb 0.29 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.49 3kye n HIS 26 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kye s THR 27 N -2.87 2.82 0.00 1.59 2.01 -0.82 -0.56 115.64 117.80 3kye s THR 27 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3kye s THR 27 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3kye s THR 27 CO 0.00 -0.28 0.00 1.07 -0.69 0.00 0.00 174.62 174.72 3kye n THR 28 N -3.09 0.00 -3.49 -0.82 5.66 0.32 -4.87 114.28 107.99 3kye n THR 28 Ca 0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.00 3kye n THR 28 Cb 0.52 -0.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 3kye n THR 28 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kye s SER 29 N -1.97 -0.46 -0.07 1.09 1.04 -1.18 -4.59 113.70 107.58 3kye s SER 29 Ca 0.00 0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 3kye s SER 29 Cb 0.00 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.62 3kye s SER 29 CO 0.00 -0.70 0.14 0.00 0.98 0.00 0.00 173.24 173.66 3kye s ALA 30 N -2.97 -0.24 -0.07 5.32 0.00 -0.36 -2.17 121.76 121.27 3kye s ALA 30 Ca 0.02 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3kye s ALA 30 Cb -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3kye s ALA 30 CO -0.08 -0.19 -0.16 0.08 0.00 0.00 0.00 175.76 175.41 3kye s VAL 31 N 1.26 1.44 -0.17 0.00 1.01 0.11 -1.32 120.40 122.74 3kye s VAL 31 Ca -0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3kye s VAL 31 Cb -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3kye s VAL 31 CO -0.06 0.42 0.28 -0.22 0.00 0.00 0.00 175.10 175.52 3kye s LEU 32 N 0.45 4.23 0.05 3.92 2.96 0.05 -0.07 118.68 130.28 3kye s LEU 32 Ca -0.14 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3kye s LEU 32 Cb -0.16 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3kye s LEU 32 CO 0.05 0.09 -0.06 -1.48 -1.32 0.00 0.00 176.35 173.64 3kye s LEU 33 N 0.53 2.36 0.62 -0.68 2.34 0.00 -0.70 118.68 123.16 3kye s LEU 33 Ca 0.16 -0.74 -0.16 0.00 0.06 0.00 0.00 54.13 53.45 3kye s LEU 33 Cb -0.13 -0.01 -0.02 0.00 -0.56 0.00 0.00 46.19 45.47 3kye s LEU 33 CO 0.04 -0.37 1.09 -0.94 -1.06 0.00 0.00 176.35 175.11 3kye s SER 34 N -2.17 5.42 0.46 1.48 1.04 0.23 -0.15 113.70 120.01 3kye s SER 34 Ca -0.03 1.95 0.31 0.00 0.48 0.00 0.00 55.95 58.67 3kye s SER 34 Cb -0.03 -2.55 1.56 0.00 0.10 0.00 0.00 66.02 65.11 3kye s SER 34 CO -0.03 -1.42 1.95 0.00 0.98 0.00 0.00 173.24 174.73 3kye n ASP 36 N -2.67 1.85 0.00 0.00 5.68 -1.26 -4.79 116.55 115.36 3kye n ASP 36 Ca -0.01 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3kye n ASP 36 Cb 0.14 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 3kye n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kye n GLY 37 N 1.16 0.99 3.73 6.12 0.00 0.53 -5.02 105.19 112.70 3kye n GLY 37 Ca 0.16 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 4.04 0.15 0.99 1.43 -1.24 -4.11 118.68 119.94 3kye s LEU 38 Ca 0.00 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 3kye s LEU 38 Cb 0.00 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 3kye s LEU 38 CO 0.00 0.27 1.33 -0.69 0.23 0.00 0.00 176.35 177.49 3kye s VAL 39 N -0.21 3.32 -0.12 -1.59 1.01 -1.26 -0.60 120.40 120.94 3kye s VAL 39 Ca 0.09 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.14 3kye s VAL 39 Cb -0.12 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3kye s VAL 39 CO 0.01 0.12 -0.03 0.29 0.00 0.00 0.00 175.10 175.49 3kye n LYS 40 N 3.26 1.41 -3.52 2.72 5.02 0.12 -4.90 118.16 122.27 3kye n LYS 40 Ca 0.08 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 3kye n LYS 40 Cb 0.43 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 3kye n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kye s SER 41 N -4.80 -0.62 -0.09 4.39 0.15 -1.06 -4.86 113.70 106.81 3kye s SER 41 Ca -0.11 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 56.92 3kye s SER 41 Cb 0.04 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 3kye s SER 41 CO 0.40 -0.59 0.60 0.54 1.20 0.00 0.00 173.24 175.38 3kye s VAL 42 N -1.33 0.01 -0.01 4.45 0.11 -1.26 -0.77 120.40 121.61 3kye s VAL 42 Ca -0.09 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3kye s VAL 42 Cb -0.00 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3kye s VAL 42 CO 0.08 -0.05 0.01 -2.28 -3.33 0.00 0.00 175.10 169.52 3kye s HIS 43 N -0.86 0.06 0.00 1.54 2.46 -0.43 -4.67 115.29 113.38 3kye s HIS 43 Ca -0.09 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.48 3kye s HIS 43 Cb -0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 3kye s HIS 43 CO 0.07 -0.04 0.00 0.41 -2.47 0.00 0.00 174.74 172.71 3kye n GLY 44 N 3.55 0.34 3.09 1.59 0.00 -1.26 -1.22 105.19 111.27 3kye n GLY 44 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 1.87 0.97 0.99 1.43 -1.26 -4.80 118.68 117.88 3kye s LEU 45 Ca 0.00 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3kye s LEU 45 Cb 0.00 -0.83 0.18 0.00 0.03 0.00 0.00 46.19 45.57 3kye s LEU 45 CO 0.00 0.12 1.11 1.51 0.23 0.00 0.00 176.35 179.32 3kye s ASP 46 N 0.11 2.50 0.39 2.29 -4.77 -1.26 -4.67 116.67 111.26 3kye s ASP 46 Ca -0.04 1.97 0.10 0.00 -3.30 0.00 0.00 52.55 51.29 3kye s ASP 46 Cb -0.11 -2.49 0.81 0.00 -1.09 0.00 0.00 42.92 40.04 3kye s ASP 46 CO 0.02 -3.33 1.92 -0.65 0.70 0.00 0.00 175.17 173.83 3kye h PRO 47 N -2.03 0.20 -0.17 2.11 0.11 -2.00 -0.44 132.00 129.78 3kye h PRO 47 Ca -0.48 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 3kye h PRO 47 Cb 1.28 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kye h PRO 47 CO 0.45 0.35 -0.75 -0.44 -0.21 0.00 0.00 178.00 177.40 3kye h ASP 48 N 0.19 0.94 -0.69 -2.05 3.45 -1.99 -2.14 116.42 114.13 3kye h ASP 48 Ca 0.04 -0.60 -0.06 0.00 0.43 0.00 0.00 57.03 56.83 3kye h ASP 48 Cb 0.38 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 3kye h ASP 48 CO 0.02 1.40 0.18 0.28 -1.57 0.00 0.00 179.24 179.55 3kye h SER 49 N 0.55 1.03 -0.80 6.45 0.02 -1.80 -2.14 113.55 116.87 3kye h SER 49 Ca -0.05 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3kye h SER 49 Cb 1.38 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 3kye h SER 49 CO 0.16 0.99 0.40 0.00 -1.14 0.00 0.00 176.83 177.24 3kye h ALA 50 N 1.08 1.18 -0.89 3.77 0.00 -1.06 -1.42 119.26 121.92 3kye h ALA 50 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kye h ALA 50 Cb 0.35 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3kye h ALA 50 CO 0.00 0.63 0.57 -0.44 0.00 0.00 0.00 179.25 180.01 3kye h ASP 51 N 1.14 1.05 0.00 0.00 3.32 -1.11 -0.30 116.42 120.51 3kye h ASP 51 Ca 0.28 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kye h ASP 51 Cb 0.09 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kye h ASP 51 CO -0.04 0.78 0.00 1.41 -1.72 0.00 0.00 179.24 179.67 3kye n HIS 52 N -4.43 0.00 0.00 4.55 8.25 -0.54 -1.66 115.22 121.39 3kye n HIS 52 Ca 0.10 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3kye n HIS 52 Cb 0.03 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3kye n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kye n ALA 54 N 0.77 0.00 0.21 -1.41 0.00 -0.12 -0.84 120.51 119.12 3kye n ALA 54 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kye n ALA 54 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.58 -0.53 0.00 0.00 -1.47 -0.55 119.26 116.13 3kye h ALA 55 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3kye h ALA 55 Cb 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3kye h ALA 55 CO 0.00 -0.63 0.22 -0.07 0.00 0.00 0.00 179.25 178.77 3kye h LEU 56 N -0.96 0.26 -0.75 0.00 3.38 -1.27 -1.84 115.31 114.13 3kye h LEU 56 Ca -0.06 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kye h LEU 56 Cb 0.56 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3kye h LEU 56 CO 0.10 0.18 -0.19 0.00 0.09 0.00 0.00 178.44 178.61 3kye h ALA 57 N 1.33 0.93 -0.16 1.53 0.00 -1.78 -0.83 119.26 120.30 3kye h ALA 57 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kye h ALA 57 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kye h ALA 57 CO -0.23 0.61 -0.25 0.66 0.00 0.00 0.00 179.25 180.05 3kye h SER 58 N 0.66 0.29 -0.41 0.00 4.64 -0.83 -0.53 113.55 117.36 3kye h SER 58 Ca 0.10 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3kye h SER 58 Cb 0.68 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3kye h SER 58 CO 0.05 0.54 0.02 1.23 -0.87 0.00 0.00 176.83 177.81 3kye h GLY 59 N 0.98 0.77 0.98 -0.77 0.00 -0.53 0.10 103.07 104.60 3kye h GLY 59 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3kye h GLY 59 CO 0.04 0.50 0.23 1.41 0.00 0.00 0.00 176.54 178.73 3kye h LEU 60 N 0.55 0.50 -0.93 3.11 3.38 -0.92 -1.63 115.31 119.37 3kye h LEU 60 Ca 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kye h LEU 60 Cb 0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3kye h LEU 60 CO 0.02 0.43 0.24 0.22 0.09 0.00 0.00 178.44 179.43 3kye h TYR 61 N 0.53 1.04 -0.42 1.13 3.20 -1.02 -0.61 116.97 120.82 3kye h TYR 61 Ca 0.14 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3kye h TYR 61 Cb 0.03 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3kye h TYR 61 CO -0.03 0.82 -0.20 1.03 -1.64 0.00 0.00 178.16 178.13 3kye h SER 62 N 0.99 0.85 -0.24 -2.11 0.87 -0.52 -0.81 113.55 112.58 3kye h SER 62 Ca 0.23 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 3kye h SER 62 Cb 0.24 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3kye h SER 62 CO -0.01 1.03 -0.24 -0.07 -0.53 0.00 0.00 176.83 177.00 3kye h LEU 63 N 0.73 0.63 -0.79 2.23 3.38 -1.07 -1.40 115.31 119.03 3kye h LEU 63 Ca 0.10 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.72 3kye h LEU 63 Cb 0.73 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 3kye h LEU 63 CO 0.06 0.98 0.38 1.23 0.09 0.00 0.00 178.44 181.18 3kye h GLY 64 N 0.29 1.23 0.92 0.83 0.00 -1.03 0.08 103.07 105.39 3kye h GLY 64 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kye h GLY 64 CO 0.06 -0.01 0.08 -0.09 0.00 0.00 0.00 176.54 176.58 3kye h ARG 65 N 0.59 0.24 -0.88 4.80 2.43 -0.83 0.65 114.38 121.37 3kye h ARG 65 Ca 0.42 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 3kye h ARG 65 Cb 0.55 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3kye h ARG 65 CO -0.34 0.26 0.57 0.77 -1.51 0.00 0.00 179.97 179.73 3kye h SER 66 N 0.15 0.95 -0.08 -3.80 0.02 -0.71 0.08 113.55 110.16 3kye h SER 66 Ca 0.06 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kye h SER 66 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3kye h SER 66 CO -0.01 0.66 0.03 0.00 -1.14 0.00 0.00 176.83 176.37 3kye h ALA 67 N 1.36 0.09 -0.27 3.77 0.00 -0.44 -1.82 119.26 121.95 3kye h ALA 67 Ca 0.35 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.33 3kye h ALA 67 Cb -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kye h ALA 67 CO -0.12 -0.43 -0.13 0.78 0.00 0.00 0.00 179.25 179.35 3kye h GLY 68 N 0.08 0.09 0.47 0.00 0.00 0.21 0.47 103.07 104.39 3kye h GLY 68 Ca 0.03 0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.64 3kye h GLY 68 CO -0.03 -0.15 0.54 -2.22 0.00 0.00 0.00 176.54 174.68 3kye h ILE 69 N -0.09 0.89 0.09 2.60 2.04 -0.81 0.18 117.51 122.41 3kye h ILE 69 Ca 0.14 -0.30 -0.36 0.00 1.00 0.00 0.00 64.86 65.34 3kye h ILE 69 Cb 0.31 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3kye h ILE 69 CO -0.33 0.16 -2.06 -1.14 0.00 0.00 0.00 178.15 174.78 3kye n ARG 70 N -4.70 0.73 0.00 2.37 0.63 -0.70 -4.48 116.66 110.50 3kye n ARG 70 Ca 0.16 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 3kye n ARG 70 Cb 0.33 -1.67 -0.00 0.00 0.45 0.00 0.00 32.46 31.57 3kye n ARG 70 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kye n PHE 71 N -3.51 0.00 -2.50 -0.14 3.01 0.16 -5.02 117.46 109.47 3kye n PHE 71 Ca -0.35 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.11 3kye n PHE 71 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.52 2.81 1.86 1.37 0.00 0.60 -4.95 105.19 107.39 3kye n GLY 72 Ca 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3kye n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kye n ASP 73 N -0.82 6.32 0.00 1.61 9.92 -1.26 -4.79 116.55 127.54 3kye n ASP 73 Ca 0.00 -3.01 0.00 0.00 -0.53 0.00 0.00 54.79 51.25 3kye n ASP 73 Cb 0.00 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 3kye n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kye n GLY 74 N 0.43 0.00 3.52 0.44 0.00 -1.09 -4.89 105.19 103.60 3kye n GLY 74 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 3kye n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kye s GLY 75 N -1.54 1.54 0.68 -0.02 0.00 -1.26 -4.47 107.32 102.25 3kye s GLY 75 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 3kye s GLY 75 CO 0.00 0.04 1.06 0.99 0.00 0.00 0.00 173.10 175.19 3kye s ASP 76 N -3.63 5.52 0.31 1.64 1.01 -1.26 -4.48 116.67 115.78 3kye s ASP 76 Ca 0.70 1.58 -0.29 0.00 0.71 0.00 0.00 52.55 55.25 3kye s ASP 76 Cb -0.12 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 3kye s ASP 76 CO 0.57 -1.35 1.28 -0.69 0.21 0.00 0.00 175.17 175.19 3kye s VAL 77 N -3.07 2.87 -0.13 -1.27 1.01 -1.26 -4.95 120.40 113.60 3kye s VAL 77 Ca 0.57 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 63.18 3kye s VAL 77 Cb -0.13 -3.55 -0.26 0.00 0.00 0.00 0.00 36.38 32.44 3kye s VAL 77 CO 0.55 0.20 0.62 0.03 0.00 0.00 0.00 175.10 176.49 3kye h ARG 78 N 3.69 0.11 -2.55 2.72 3.08 -1.94 -3.41 114.38 116.07 3kye h ARG 78 Ca -0.48 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 59.48 3kye h ARG 78 Cb 1.22 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 3kye h ARG 78 CO 0.67 1.09 0.39 1.14 -1.07 0.00 0.00 179.97 182.19 3kye s GLN 79 N -2.34 1.12 -0.08 0.04 -2.07 -1.26 -2.57 119.66 112.50 3kye s GLN 79 Ca -0.20 -0.49 0.04 0.00 -1.82 0.00 0.00 55.36 52.88 3kye s GLN 79 Cb 0.01 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 3kye s GLN 79 CO 0.71 -0.50 -0.19 0.08 -1.32 0.00 0.00 175.29 174.07 3kye s VAL 80 N -3.40 1.67 -0.15 3.63 1.01 0.51 -4.98 120.40 118.68 3kye s VAL 80 Ca 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3kye s VAL 80 Cb -0.02 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3kye s VAL 80 CO -0.06 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 3kye s VAL 81 N 0.40 1.78 -0.31 2.92 1.01 -1.26 0.27 120.40 125.21 3kye s VAL 81 Ca -0.15 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3kye s VAL 81 Cb -0.16 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3kye s VAL 81 CO 0.06 0.49 0.18 -0.69 0.00 0.00 0.00 175.10 175.15 3kye s VAL 82 N 1.29 4.96 -0.36 2.92 1.01 0.63 -4.98 120.40 125.87 3kye s VAL 82 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3kye s VAL 82 Cb -0.13 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3kye s VAL 82 CO -0.09 0.10 0.21 -0.70 0.00 0.00 0.00 175.10 174.62 3kye s GLU 83 N 1.68 2.99 0.34 2.72 2.12 -1.26 -0.74 118.70 126.55 3kye s GLU 83 Ca 0.06 -0.97 0.05 0.00 0.36 0.00 0.00 54.97 54.46 3kye s GLU 83 Cb -0.17 -3.73 0.05 0.00 0.26 0.00 0.00 34.13 30.54 3kye s GLU 83 CO 0.08 -0.63 0.39 1.28 -0.54 0.00 0.00 175.26 175.84 3kye n LEU 84 N 5.02 0.00 -0.18 2.70 4.77 0.14 -5.03 117.00 124.42 3kye n LEU 84 Ca -0.12 -1.58 -0.06 0.00 -0.03 0.00 0.00 56.01 54.22 3kye n LEU 84 Cb 0.47 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3kye n LEU 84 CO 0.36 -0.56 1.08 -0.78 -1.33 0.00 0.00 177.39 176.16 3kye h ASP 85 N 0.18 0.55 0.00 -1.43 3.58 -2.03 -3.32 116.42 113.96 3kye h ASP 85 Ca -0.18 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3kye h ASP 85 Cb 0.75 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.68 3kye h ASP 85 CO 0.27 0.39 -0.06 -1.20 -2.88 0.00 0.00 179.24 175.76 3kye n SER 86 N -4.76 0.09 -4.24 2.28 7.64 -1.26 -4.94 113.62 108.43 3kye n SER 86 Ca 0.04 -0.52 -0.13 0.00 1.01 0.00 0.00 58.87 59.26 3kye n SER 86 Cb 0.06 1.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.16 3kye n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kye s THR 87 N -1.11 0.66 0.06 0.44 -4.23 -1.25 -1.66 115.64 108.56 3kye s THR 87 Ca 0.00 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3kye s THR 87 Cb 0.01 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 3kye s THR 87 CO 0.04 -0.46 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.71 3kye s LEU 88 N -3.17 2.21 -0.12 4.79 1.43 0.14 -0.68 118.68 123.28 3kye s LEU 88 Ca 0.24 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3kye s LEU 88 Cb 0.06 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.45 3kye s LEU 88 CO 0.04 0.10 -0.10 -0.22 0.23 0.00 0.00 176.35 176.40 3kye s LEU 89 N -1.40 1.40 -0.20 1.79 2.96 0.09 -1.62 118.68 121.69 3kye s LEU 89 Ca 0.06 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3kye s LEU 89 Cb -0.09 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 3kye s LEU 89 CO 0.02 -0.08 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.61 3kye s PHE 90 N 1.51 3.04 -0.25 5.38 0.08 0.12 -0.27 117.98 127.58 3kye s PHE 90 Ca 0.02 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3kye s PHE 90 Cb -0.13 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.29 3kye s PHE 90 CO -0.07 -0.23 -0.10 0.08 -0.10 0.00 0.00 175.22 174.79 3kye s VAL 91 N 0.97 2.34 0.22 -0.44 1.01 0.14 -0.81 120.40 123.82 3kye s VAL 91 Ca 0.01 -1.44 0.10 0.00 0.00 0.00 0.00 61.98 60.65 3kye s VAL 91 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3kye s VAL 91 CO 0.02 0.06 -0.11 -0.94 0.00 0.00 0.00 175.10 174.13 3kye s SER 92 N 1.17 4.11 0.44 3.32 1.04 0.02 -0.36 113.70 123.44 3kye s SER 92 Ca -0.06 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 3kye s SER 92 Cb -0.19 -0.62 -0.08 0.00 0.10 0.00 0.00 66.02 65.24 3kye s SER 92 CO -0.06 0.07 1.25 -0.89 0.98 0.00 0.00 173.24 174.60 3kye s THR 93 N -1.97 2.75 -0.01 2.02 2.01 -1.06 -1.03 115.64 118.35 3kye s THR 93 Ca 0.27 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.89 3kye s THR 93 Cb -0.07 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.11 3kye s THR 93 CO 0.16 0.04 0.71 0.00 -0.69 0.00 0.00 174.62 174.84 3kye n ALA 94 N -0.25 1.42 -0.27 7.40 0.00 -0.72 -4.78 120.51 123.31 3kye n ALA 94 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.74 3kye n ALA 94 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.14 -2.55 3.01 0.00 0.00 -1.25 -4.76 105.19 99.49 3kye n GLY 95 Ca 0.01 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 3kye n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kye n SER 96 N -2.56 -4.68 -2.79 1.61 7.64 -1.26 -1.76 113.62 109.82 3kye n SER 96 Ca -0.01 -0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.48 3kye n SER 96 Cb 0.13 -3.86 0.06 0.00 -1.01 0.00 0.00 64.21 59.53 3kye n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kye n GLY 97 N -1.21 -0.15 3.22 0.23 0.00 -1.26 -4.96 105.19 101.05 3kye n GLY 97 Ca -0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3kye n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kye s THR 98 N -3.24 0.37 0.04 2.61 -4.23 -0.72 -1.34 115.64 109.13 3kye s THR 98 Ca 0.31 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3kye s THR 98 Cb -0.14 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 3kye s THR 98 CO 0.54 -0.31 -0.04 0.00 -0.54 0.00 0.00 174.62 174.27 3kye s LEU 100 N -2.17 2.55 -0.17 0.00 2.96 -0.20 -0.82 118.68 120.83 3kye s LEU 100 Ca -0.04 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3kye s LEU 100 Cb -0.02 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3kye s LEU 100 CO -0.04 0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.93 3kye s ALA 101 N 1.04 2.65 -0.08 5.97 0.00 0.90 -0.80 121.76 131.44 3kye s ALA 101 Ca -0.01 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3kye s ALA 101 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3kye s ALA 101 CO -0.03 -0.11 -0.17 0.08 0.00 0.00 0.00 175.76 175.54 3kye s VAL 102 N 0.93 1.50 -0.13 0.00 1.01 0.01 0.09 120.40 123.81 3kye s VAL 102 Ca -0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3kye s VAL 102 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3kye s VAL 102 CO -0.01 0.44 0.11 -0.76 0.00 0.00 0.00 175.10 174.89 3kye s LEU 103 N 0.58 4.22 0.06 3.92 1.43 -0.92 -0.71 118.68 127.26 3kye s LEU 103 Ca -0.15 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 3kye s LEU 103 Cb -0.17 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.05 3kye s LEU 103 CO 0.05 0.36 0.33 0.00 0.23 0.00 0.00 176.35 177.33 3kye s ALA 104 N -0.76 -0.75 0.61 4.21 0.00 -0.64 -0.52 121.76 123.91 3kye s ALA 104 Ca 0.13 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 3kye s ALA 104 Cb -0.12 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 3kye s ALA 104 CO 0.03 -0.47 1.14 0.20 0.00 0.00 0.00 175.76 176.67 3kye s GLY 105 N -2.23 2.46 0.00 0.00 0.00 0.27 0.26 107.32 108.08 3kye s GLY 105 Ca -0.03 0.76 0.11 0.00 0.00 0.00 0.00 44.72 45.56 3kye s GLY 105 CO -0.05 1.13 1.29 -0.96 0.00 0.00 0.00 173.10 174.51 3kye n ARG 106 N -1.88 0.08 0.00 2.90 1.85 -0.66 -1.83 116.66 117.12 3kye n ARG 106 Ca 0.12 0.25 0.09 0.00 -1.00 0.00 0.00 57.85 57.31 3kye n ARG 106 Cb 0.51 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.89 3kye n ARG 106 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3kye n GLU 107 N -1.39 0.23 -2.62 2.89 1.02 -1.26 -4.81 120.64 114.70 3kye n GLU 107 Ca 0.04 0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 3kye n GLU 107 Cb 0.10 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3kye n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kye s ALA 108 N -2.65 2.98 -0.41 0.62 0.00 -0.76 -4.98 121.76 116.57 3kye s ALA 108 Ca 0.17 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 3kye s ALA 108 Cb 0.13 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 20.04 3kye s ALA 108 CO 0.31 -0.16 0.96 0.34 0.00 0.00 0.00 175.76 177.20 3kye s ASP 109 N -1.89 6.63 0.00 0.00 3.68 -1.26 -4.93 116.67 118.90 3kye s ASP 109 Ca 0.63 0.44 0.29 0.00 2.13 0.00 0.00 52.55 56.03 3kye s ASP 109 Cb -0.16 -2.48 1.22 0.00 -1.45 0.00 0.00 42.92 40.05 3kye s ASP 109 CO 0.21 -0.98 1.91 0.00 0.13 0.00 0.00 175.17 176.44 3kye n ALA 110 N 7.05 2.42 -0.02 3.66 0.00 -1.26 -0.41 120.51 131.95 3kye n ALA 110 Ca 0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3kye n ALA 110 Cb 0.48 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 3kye n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kye h ALA 111 N 3.04 -0.08 -0.22 0.00 0.00 -1.98 -2.79 119.26 117.23 3kye h ALA 111 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3kye h ALA 111 Cb 0.48 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3kye h ALA 111 CO 0.00 -0.11 -0.17 0.28 0.00 0.00 0.00 179.25 179.25 3kye h VAL 112 N -0.94 0.53 0.00 0.00 2.07 -1.92 -0.89 116.25 115.11 3kye h VAL 112 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3kye h VAL 112 Cb 0.58 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kye h VAL 112 CO 0.01 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.66 3kye h LEU 113 N -0.17 0.00 -0.20 2.57 5.85 -0.86 -0.06 115.31 122.43 3kye h LEU 113 Ca 0.13 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.63 3kye h LEU 113 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3kye h LEU 113 CO -0.32 0.20 -0.92 1.23 -0.34 0.00 0.00 178.44 178.29 3kye h GLY 114 N 0.64 0.44 0.60 3.75 0.00 -1.14 -3.28 103.07 104.08 3kye h GLY 114 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3kye h GLY 114 CO 0.03 0.67 -0.05 -1.82 0.00 0.00 0.00 176.54 175.36 3kye h TYR 115 N 0.23 -0.13 0.00 5.60 5.03 0.32 -2.05 116.97 125.97 3kye h TYR 115 Ca -0.07 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.24 3kye h TYR 115 Cb 1.55 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.87 3kye h TYR 115 CO 0.06 0.25 0.00 0.39 -1.32 0.00 0.00 178.16 177.54 3kye n GLU 116 N -4.97 0.00 -0.43 1.82 -0.58 -0.21 -4.64 120.64 111.63 3kye n GLU 116 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 3kye n GLU 116 Cb 0.23 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.66 0.00 0.00 0.62 0.00 -0.77 -4.62 120.51 116.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.19 0.00 7.94 -1.26 -1.67 117.00 121.83 3kye n LEU 120 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3kye n LEU 120 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 3kye n LEU 120 CO 0.00 0.00 0.95 0.58 -1.11 0.00 0.00 177.39 177.81 3kye h VAL 121 N 0.00 0.75 -0.00 1.96 2.07 -1.96 -0.42 116.25 118.64 3kye h VAL 121 Ca 0.00 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3kye h VAL 121 Cb 0.00 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kye h VAL 121 CO 0.00 0.06 -0.39 0.11 0.02 0.00 0.00 177.57 177.37 3kye h LYS 122 N 0.34 0.00 0.00 1.57 1.57 -1.71 -2.37 116.57 115.97 3kye h LYS 122 Ca 0.28 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.88 3kye h LYS 122 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3kye h LYS 122 CO -0.32 0.39 -0.87 0.66 -0.57 0.00 0.00 179.45 178.74 3kye h SER 123 N 0.00 0.06 1.36 0.86 4.64 -1.53 -3.07 113.55 115.88 3kye h SER 123 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3kye h SER 123 Cb 0.70 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kye h SER 123 CO 0.05 0.90 -0.19 -0.37 -0.87 0.00 0.00 176.83 176.35 3kye h VAL 124 N 0.02 0.00 -0.74 0.95 -1.51 -0.95 -3.38 116.25 110.64 3kye h VAL 124 Ca -0.02 -0.55 0.13 0.00 -1.23 0.00 0.00 66.70 65.04 3kye h VAL 124 Cb 1.53 1.42 -0.13 0.00 -2.13 0.00 0.00 31.29 31.98 3kye h VAL 124 CO 0.12 0.00 -0.31 -0.09 -1.23 0.00 0.00 177.57 176.06 3kye h ARG 125 N 0.00 -0.08 0.00 5.19 2.43 -1.32 -0.50 114.38 120.10 3kye h ARG 125 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3kye h ARG 125 Cb 0.77 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3kye h ARG 125 CO 0.00 -0.05 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.02 3kye h PRO 126 N -0.08 0.00 0.20 0.20 0.11 -1.79 -1.97 132.00 128.66 3kye h PRO 126 Ca 0.30 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.09 3kye h PRO 126 Cb 0.57 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.70 3kye h PRO 126 CO -0.79 0.04 -1.44 1.88 -0.21 0.00 0.00 178.00 177.48 3kye h TYR 127 N 0.00 0.77 0.00 0.65 0.05 -1.39 -3.54 116.97 113.51 3kye h TYR 127 Ca -0.00 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.22 3kye h TYR 127 Cb 0.10 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3kye h TYR 127 CO 0.00 1.47 0.00 1.28 -1.05 0.00 0.00 178.16 179.86