#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyd s TRP 26 N 0.00 0.77 -1.20 -1.77 -0.11 -1.26 -5.01 118.94 110.36 3kyd s TRP 26 Ca 0.00 -1.08 0.06 0.00 1.22 0.00 0.00 56.10 56.30 3kyd s TRP 26 Cb 0.00 0.03 0.28 0.00 -1.50 0.00 0.00 33.47 32.28 3kyd s TRP 26 CO 0.00 -1.08 1.12 0.41 -4.62 0.00 0.00 176.95 172.78 3kyd n GLY 27 N -0.48 -0.60 0.14 5.86 0.00 -1.26 -1.38 105.19 107.47 3kyd n GLY 27 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3kyd n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kyd h LEU 28 N 0.00 0.00 -0.58 0.99 5.85 -2.00 -3.12 115.31 116.45 3kyd h LEU 28 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3kyd h LEU 28 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kyd h LEU 28 CO 0.00 0.53 -0.60 -0.08 -0.34 0.00 0.00 178.44 177.95 3kyd h GLU 29 N 0.00 0.37 -0.08 1.25 4.81 -1.63 -2.74 114.58 116.56 3kyd h GLU 29 Ca -0.01 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3kyd h GLU 29 Cb 1.38 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3kyd h GLU 29 CO 0.07 0.86 -0.22 0.00 -0.73 0.00 0.00 179.01 178.99 3kyd h ALA 30 N 1.08 1.49 -0.12 2.92 0.00 -1.59 -1.29 119.26 121.74 3kyd h ALA 30 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kyd h ALA 30 Cb 1.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kyd h ALA 30 CO 0.10 0.37 -0.01 0.37 0.00 0.00 0.00 179.25 180.08 3kyd h GLN 31 N 0.12 0.23 0.00 0.00 5.75 -1.45 -2.85 115.11 116.91 3kyd h GLN 31 Ca 0.02 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3kyd h GLN 31 Cb 0.46 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3kyd h GLN 31 CO 0.03 0.50 -0.30 1.57 -2.65 0.00 0.00 178.83 177.98 3kyd h LYS 32 N -0.06 0.00 -0.29 1.69 2.10 -1.31 -2.32 116.57 116.37 3kyd h LYS 32 Ca 0.03 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.53 3kyd h LYS 32 Cb 0.40 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 3kyd h LYS 32 CO 0.01 0.30 -0.43 -0.09 -2.00 0.00 0.00 179.45 177.23 3kyd h ARG 33 N 0.00 0.73 -0.26 0.07 2.43 -1.22 -2.54 114.38 113.59 3kyd h ARG 33 Ca -0.00 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 3kyd h ARG 33 Cb 0.82 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3kyd h ARG 33 CO 0.04 1.02 -0.13 1.25 -1.51 0.00 0.00 179.97 180.64 3kyd h LEU 34 N 0.59 0.57 0.00 3.80 5.85 -1.34 -3.15 115.31 121.63 3kyd h LEU 34 Ca 0.04 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kyd h LEU 34 Cb 0.99 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3kyd h LEU 34 CO 0.09 0.85 0.00 0.54 -0.34 0.00 0.00 178.44 179.59 3kyd n ARG 35 N -4.46 0.42 -0.07 1.25 1.74 -0.89 -1.67 116.66 112.98 3kyd n ARG 35 Ca -0.04 0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.15 3kyd n ARG 35 Cb 0.36 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3kyd n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kyd n ALA 36 N -1.14 2.33 -2.63 7.54 0.00 -0.97 -3.29 120.51 122.35 3kyd n ALA 36 Ca 0.11 -0.83 -0.38 0.00 0.00 0.00 0.00 53.44 52.34 3kyd n ALA 36 Cb 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 3kyd n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kyd s SER 37 N -0.90 6.66 -0.17 0.00 0.01 -0.67 -4.73 113.70 113.91 3kyd s SER 37 Ca 0.15 0.79 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 3kyd s SER 37 Cb 0.09 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3kyd s SER 37 CO 0.13 0.33 -0.04 -0.13 0.41 0.00 0.00 173.24 173.94 3kyd s ARG 38 N -0.95 3.59 -0.04 12.44 0.52 -1.26 -0.82 118.95 132.44 3kyd s ARG 38 Ca 0.21 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 3kyd s ARG 38 Cb -0.15 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 3kyd s ARG 38 CO 0.10 0.13 -0.16 0.08 0.02 0.00 0.00 175.30 175.47 3kyd s VAL 39 N 0.64 2.88 -0.22 3.52 1.01 -0.73 -0.26 120.40 127.24 3kyd s VAL 39 Ca -0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3kyd s VAL 39 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kyd s VAL 39 CO 0.02 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.55 3kyd s LEU 40 N -0.78 3.71 -0.18 3.92 1.98 -0.04 -1.30 118.68 125.99 3kyd s LEU 40 Ca 0.12 -0.04 -0.00 0.00 -2.89 0.00 0.00 54.13 51.32 3kyd s LEU 40 Cb -0.10 -1.97 0.01 0.00 0.66 0.00 0.00 46.19 44.78 3kyd s LEU 40 CO 0.01 0.06 -0.15 -0.22 -1.89 0.00 0.00 176.35 174.16 3kyd s LEU 41 N 1.04 2.43 -0.18 -0.68 2.96 -0.36 -0.18 118.68 123.72 3kyd s LEU 41 Ca 0.05 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3kyd s LEU 41 Cb -0.14 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3kyd s LEU 41 CO 0.03 0.03 0.02 -0.69 -1.32 0.00 0.00 176.35 174.42 3kyd s VAL 42 N 1.15 4.33 0.00 1.68 1.01 0.16 -0.64 120.40 128.09 3kyd s VAL 42 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kyd s VAL 42 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3kyd s VAL 42 CO -0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3kyd n GLY 43 N 3.74 -0.45 2.77 4.51 0.00 -0.48 -0.62 105.19 114.67 3kyd n GLY 43 Ca -0.17 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 3kyd n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kyd n LEU 44 N 0.00 6.60 0.00 0.99 7.99 -1.26 -3.75 117.00 127.58 3kyd n LEU 44 Ca 0.00 -5.03 0.00 0.00 -0.01 0.00 0.00 56.01 50.97 3kyd n LEU 44 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 3kyd n LEU 44 CO 0.00 1.95 0.00 0.29 -1.51 0.00 0.00 177.39 178.12 3kyd n LYS 45 N -0.47 3.28 -0.08 3.23 5.02 -1.26 -4.66 118.16 123.22 3kyd n LYS 45 Ca 0.48 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.69 3kyd n LYS 45 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.35 3kyd n LYS 45 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3kyd h GLY 46 N 0.00 -0.31 0.92 0.72 0.00 -1.92 -0.46 103.07 102.02 3kyd h GLY 46 Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 3kyd h GLY 46 CO 0.00 -0.21 -0.03 -2.00 0.00 0.00 0.00 176.54 174.30 3kyd h LEU 47 N -0.30 0.63 -0.84 3.11 5.85 -1.90 -2.63 115.31 119.23 3kyd h LEU 47 Ca 0.15 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3kyd h LEU 47 Cb 0.54 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kyd h LEU 47 CO -0.47 0.81 0.35 1.23 -0.34 0.00 0.00 178.44 180.01 3kyd h GLY 48 N 0.44 1.28 0.31 3.75 0.00 -1.61 -0.97 103.07 106.27 3kyd h GLY 48 Ca 0.10 -0.67 0.07 0.00 0.00 0.00 0.00 47.33 46.82 3kyd h GLY 48 CO 0.02 0.64 -0.10 0.00 0.00 0.00 0.00 176.54 177.11 3kyd h ALA 49 N 1.21 0.20 -0.48 3.60 0.00 -0.99 0.12 119.26 122.92 3kyd h ALA 49 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3kyd h ALA 49 Cb 0.18 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kyd h ALA 49 CO -0.03 -0.47 0.26 0.93 0.00 0.00 0.00 179.25 179.94 3kyd h GLU 50 N -0.02 0.66 -0.10 0.00 4.39 -1.08 -1.46 114.58 116.98 3kyd h GLU 50 Ca 0.16 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3kyd h GLU 50 Cb 0.26 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3kyd h GLU 50 CO -0.35 0.52 0.02 0.82 -1.16 0.00 0.00 179.01 178.86 3kyd h ILE 51 N 0.63 1.20 0.12 3.13 2.04 -0.89 -1.52 117.51 122.23 3kyd h ILE 51 Ca 0.17 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3kyd h ILE 51 Cb 0.05 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3kyd h ILE 51 CO -0.03 0.18 -0.36 0.00 0.00 0.00 0.00 178.15 177.95 3kyd h ALA 52 N 0.80 -0.62 -0.79 1.87 0.00 -0.72 -0.68 119.26 119.12 3kyd h ALA 52 Ca 0.03 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.02 3kyd h ALA 52 Cb 0.27 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 3kyd h ALA 52 CO 0.00 -0.91 0.36 -0.22 0.00 0.00 0.00 179.25 178.48 3kyd h LYS 53 N -0.59 0.50 0.00 0.00 3.11 -1.20 0.91 116.57 119.31 3kyd h LYS 53 Ca 0.03 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3kyd h LYS 53 Cb 0.62 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3kyd h LYS 53 CO -0.21 0.33 -0.00 -0.91 -2.81 0.00 0.00 179.45 175.85 3kyd h ASN 54 N 0.52 -0.01 -0.74 4.20 2.35 -0.93 -2.51 115.58 118.46 3kyd h ASN 54 Ca 0.43 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3kyd h ASN 54 Cb 0.63 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3kyd h ASN 54 CO -0.38 0.38 0.23 -0.07 -1.65 0.00 0.00 177.43 175.93 3kyd h LEU 55 N -0.39 1.08 0.10 1.61 3.38 -0.77 -1.98 115.31 118.33 3kyd h LEU 55 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kyd h LEU 55 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kyd h LEU 55 CO 0.00 1.00 -0.05 0.40 0.09 0.00 0.00 178.44 179.88 3kyd h ILE 56 N 1.10 0.98 -0.64 1.22 2.04 -0.87 -2.73 117.51 118.62 3kyd h ILE 56 Ca 0.24 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3kyd h ILE 56 Cb 0.31 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3kyd h ILE 56 CO -0.01 0.07 0.42 -0.07 0.00 0.00 0.00 178.15 178.57 3kyd h LEU 57 N -0.26 0.53 -1.46 1.44 3.38 -1.38 -2.19 115.31 115.36 3kyd h LEU 57 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3kyd h LEU 57 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kyd h LEU 57 CO 0.02 0.34 -0.05 0.00 0.09 0.00 0.00 178.44 178.84 3kyd h ALA 58 N 1.66 1.56 -0.15 1.53 0.00 -1.06 -3.48 119.26 119.32 3kyd h ALA 58 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kyd h ALA 58 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kyd h ALA 58 CO -0.09 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3kyd n GLY 59 N -1.01 0.70 3.75 0.00 0.00 -0.82 -4.98 105.19 102.83 3kyd n GLY 59 Ca -0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3kyd n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kyd s VAL 60 N -1.56 3.01 0.37 1.61 -7.23 -1.23 -3.92 120.40 111.45 3kyd s VAL 60 Ca 0.00 0.44 0.08 0.00 -1.81 0.00 0.00 61.98 60.68 3kyd s VAL 60 Cb 0.00 -2.93 0.31 0.00 0.56 0.00 0.00 36.38 34.32 3kyd s VAL 60 CO 0.00 -0.32 1.94 0.50 -0.31 0.00 0.00 175.10 176.90 3kyd h LYS 61 N -0.36 0.68 -1.51 4.82 3.64 -0.97 -3.42 116.57 119.45 3kyd h LYS 61 Ca -0.46 -0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.09 3kyd h LYS 61 Cb 1.25 -0.15 -0.20 0.00 -0.41 0.00 0.00 32.23 32.72 3kyd h LYS 61 CO 0.52 0.45 0.76 0.20 -2.27 0.00 0.00 179.45 179.11 3kyd s GLY 62 N -3.62 -0.25 -0.04 5.01 0.00 -1.11 -1.46 107.32 105.85 3kyd s GLY 62 Ca -0.10 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.42 3kyd s GLY 62 CO 0.77 0.67 -0.03 -2.27 0.00 0.00 0.00 173.10 172.24 3kyd s LEU 63 N -1.89 1.36 -0.26 0.66 2.96 -0.62 -1.77 118.68 119.13 3kyd s LEU 63 Ca 0.07 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3kyd s LEU 63 Cb -0.01 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 3kyd s LEU 63 CO -0.05 -0.05 0.06 -0.89 -1.32 0.00 0.00 176.35 174.10 3kyd s THR 64 N 0.83 4.08 -0.28 3.68 2.01 -0.42 -0.13 115.64 125.42 3kyd s THR 64 Ca -0.10 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 3kyd s THR 64 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3kyd s THR 64 CO -0.00 0.28 0.47 -0.04 -0.69 0.00 0.00 174.62 174.64 3kyd s MET 65 N 1.57 3.99 -0.23 4.92 1.00 0.40 -1.22 119.30 129.73 3kyd s MET 65 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 55.69 55.88 3kyd s MET 65 Cb -0.15 -3.68 0.01 0.00 0.00 0.00 0.00 34.83 31.01 3kyd s MET 65 CO 0.02 -0.37 -0.07 -1.17 0.00 0.00 0.00 175.02 173.43 3kyd s LEU 66 N 2.24 2.92 -0.11 -0.03 0.20 0.19 -0.29 118.68 123.80 3kyd s LEU 66 Ca 0.19 -0.65 -0.08 0.00 0.69 0.00 0.00 54.13 54.27 3kyd s LEU 66 Cb -0.16 -1.67 0.03 0.00 -0.43 0.00 0.00 46.19 43.97 3kyd s LEU 66 CO 0.10 -0.07 0.27 -0.62 -0.29 0.00 0.00 176.35 175.74 3kyd s ASP 67 N 1.38 -0.29 0.07 3.68 -1.08 -0.72 -1.38 116.67 118.33 3kyd s ASP 67 Ca 0.03 0.56 0.23 0.00 -0.52 0.00 0.00 52.55 52.85 3kyd s ASP 67 Cb -0.15 0.52 0.05 0.00 -1.46 0.00 0.00 42.92 41.88 3kyd s ASP 67 CO -0.05 -0.12 1.03 1.57 0.52 0.00 0.00 175.17 178.12 3kyd n HIS 68 N 3.37 0.36 -2.73 -5.34 -0.00 -1.25 -4.22 115.22 105.41 3kyd n HIS 68 Ca -0.17 0.10 -0.28 0.00 -0.00 0.00 0.00 57.72 57.38 3kyd n HIS 68 Cb 0.57 -0.52 -0.01 0.00 -0.00 0.00 0.00 29.99 30.03 3kyd n HIS 68 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3kyd s GLU 69 N -3.23 3.58 0.20 1.57 0.41 -1.26 -4.93 118.70 115.04 3kyd s GLU 69 Ca 0.03 0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.82 3kyd s GLU 69 Cb 0.14 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 3kyd s GLU 69 CO 0.80 -0.15 0.37 -0.65 -0.49 0.00 0.00 175.26 175.14 3kyd s GLN 70 N -4.52 3.49 0.07 1.61 -0.21 -1.26 -0.68 119.66 118.15 3kyd s GLN 70 Ca 0.48 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 55.10 3kyd s GLN 70 Cb -0.10 -2.86 -0.08 0.00 1.00 0.00 0.00 33.01 30.96 3kyd s GLN 70 CO 0.42 0.41 1.67 0.08 -2.12 0.00 0.00 175.29 175.75 3kyd s VAL 71 N -1.88 3.00 0.38 1.09 1.01 0.99 -4.71 120.40 120.28 3kyd s VAL 71 Ca 0.37 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.83 3kyd s VAL 71 Cb -0.11 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3kyd s VAL 71 CO 0.29 -0.00 0.57 0.42 0.00 0.00 0.00 175.10 176.38 3kyd s THR 72 N 2.65 4.43 0.41 3.92 -4.23 -1.26 -1.03 115.64 120.53 3kyd s THR 72 Ca 0.74 -0.63 0.27 0.00 -1.18 0.00 0.00 61.69 60.90 3kyd s THR 72 Cb -0.40 -3.60 0.43 0.00 1.34 0.00 0.00 72.50 70.27 3kyd s THR 72 CO 0.33 -0.36 1.58 -0.65 -0.54 0.00 0.00 174.62 174.97 3kyd h PRO 73 N 0.66 0.00 -0.99 3.99 0.11 -1.97 -1.15 132.00 132.66 3kyd h PRO 73 Ca -0.48 -0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.02 3kyd h PRO 73 Cb 1.24 -0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 3kyd h PRO 73 CO 0.58 0.00 0.77 -0.85 -0.21 0.00 0.00 178.00 178.29 3kyd n GLU 74 N -4.98 2.53 -0.02 1.05 0.00 -1.26 -4.49 120.64 113.47 3kyd n GLU 74 Ca 0.39 -3.20 -0.02 0.00 0.00 0.00 0.00 57.16 54.34 3kyd n GLU 74 Cb 1.44 -2.24 -0.02 0.00 0.00 0.00 0.00 31.44 30.62 3kyd n GLU 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kyd n ASP 75 N -1.00 3.76 -0.32 -1.84 10.43 -0.43 -4.59 116.55 122.56 3kyd n ASP 75 Ca 0.61 -0.02 0.08 0.00 2.57 0.00 0.00 54.79 58.04 3kyd n ASP 75 Cb 1.04 -0.04 0.24 0.00 1.84 0.00 0.00 41.12 44.21 3kyd n ASP 75 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3kyd h PRO 76 N 0.00 0.71 0.00 -0.24 0.11 -1.79 -0.52 132.00 130.28 3kyd h PRO 76 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3kyd h PRO 76 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kyd h PRO 76 CO -0.01 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 3kyd n GLY 77 N -1.33 -2.02 0.38 -0.55 0.00 -1.26 -3.91 105.19 96.50 3kyd n GLY 77 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 3kyd n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyd h ALA 78 N -2.00 1.98 -3.18 4.61 0.00 -1.78 -3.33 119.26 115.56 3kyd h ALA 78 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 3kyd h ALA 78 Cb 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.51 3kyd h ALA 78 CO 0.00 -0.65 -0.60 -1.14 0.00 0.00 0.00 179.25 176.86 3kyd s GLN 79 N -4.47 2.51 0.16 0.00 -0.44 -0.21 -4.70 119.66 112.50 3kyd s GLN 79 Ca -0.04 -1.30 0.24 0.00 -2.50 0.00 0.00 55.36 51.76 3kyd s GLN 79 Cb 0.13 -3.46 0.91 0.00 -1.64 0.00 0.00 33.01 28.96 3kyd s GLN 79 CO 0.46 -0.74 1.74 1.97 0.50 0.00 0.00 175.29 179.23 3kyd n PHE 80 N 4.76 0.60 1.14 1.67 1.16 -1.25 -2.24 117.46 123.30 3kyd n PHE 80 Ca -0.11 0.20 0.13 0.00 -1.87 0.00 0.00 57.45 55.80 3kyd n PHE 80 Cb 0.44 -0.82 0.40 0.00 -1.61 0.00 0.00 39.48 37.89 3kyd n PHE 80 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3kyd n LEU 81 N -2.01 0.54 -4.79 5.98 4.77 -1.26 -4.83 117.00 115.40 3kyd n LEU 81 Ca 0.04 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.67 3kyd n LEU 81 Cb 0.32 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 3kyd n LEU 81 CO 0.24 0.12 -0.09 -0.63 -1.33 0.00 0.00 177.39 175.70 3kyd s ILE 82 N -2.78 5.35 0.38 -0.08 -1.09 -0.95 -4.17 121.20 117.87 3kyd s ILE 82 Ca 0.18 0.40 -0.23 0.00 -2.23 0.00 0.00 60.65 58.77 3kyd s ILE 82 Cb 0.19 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 37.43 3kyd s ILE 82 CO 0.59 0.50 0.95 -0.13 -1.23 0.00 0.00 174.94 175.62 3kyd s ARG 83 N -0.25 4.38 -0.31 2.79 0.52 -1.26 -4.80 118.95 120.02 3kyd s ARG 83 Ca 0.15 1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 56.30 3kyd s ARG 83 Cb -0.13 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 3kyd s ARG 83 CO 0.04 0.10 1.57 0.95 0.02 0.00 0.00 175.30 177.98 3kyd s THR 84 N -1.91 3.75 0.00 0.02 -4.23 -1.26 -3.10 115.64 108.90 3kyd s THR 84 Ca 0.57 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 3kyd s THR 84 Cb -0.14 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.82 3kyd s THR 84 CO 0.18 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3kyd n GLY 85 N 4.93 2.00 0.03 3.99 0.00 -1.26 -5.04 105.19 109.83 3kyd n GLY 85 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3kyd n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kyd n SER 86 N 0.00 1.60 -4.67 1.61 7.64 -1.18 -5.04 113.62 113.58 3kyd n SER 86 Ca 0.00 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.48 3kyd n SER 86 Cb 0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 3kyd n SER 86 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kyd s VAL 87 N -1.06 3.37 0.00 0.44 1.01 -1.26 -2.02 120.40 120.88 3kyd s VAL 87 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3kyd s VAL 87 Cb 0.04 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3kyd s VAL 87 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3kyd n GLY 88 N 4.16 1.23 3.90 4.51 0.00 -0.20 -4.98 105.19 113.80 3kyd n GLY 88 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3kyd n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kyd s ARG 89 N -0.57 3.60 0.19 1.61 3.52 -0.85 -4.76 118.95 121.68 3kyd s ARG 89 Ca 0.00 -0.13 -0.33 0.00 -0.13 0.00 0.00 55.73 55.15 3kyd s ARG 89 Cb 0.00 -2.88 -0.14 0.00 -1.56 0.00 0.00 34.95 30.37 3kyd s ARG 89 CO 0.00 0.49 1.47 -1.71 -0.81 0.00 0.00 175.30 174.74 3kyd n ASN 90 N 0.17 2.76 -0.27 -2.12 2.85 -1.26 -0.01 115.26 117.38 3kyd n ASN 90 Ca -0.03 1.11 -0.01 0.00 -0.11 0.00 0.00 54.58 55.54 3kyd n ASN 90 Cb 0.52 -1.40 0.17 0.00 1.24 0.00 0.00 39.78 40.31 3kyd n ASN 90 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3kyd h ARG 91 N 4.97 1.10 -0.13 1.20 2.43 -1.18 -0.25 114.38 122.52 3kyd h ARG 91 Ca -0.45 -0.10 -0.23 0.00 -0.81 0.00 0.00 59.98 58.39 3kyd h ARG 91 Cb 1.27 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3kyd h ARG 91 CO 0.81 0.78 -0.81 0.00 -1.51 0.00 0.00 179.97 179.24 3kyd h ALA 92 N 1.41 0.27 -0.50 2.80 0.00 -1.80 -3.00 119.26 118.43 3kyd h ALA 92 Ca 0.29 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3kyd h ALA 92 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kyd h ALA 92 CO -0.05 0.67 0.28 1.49 0.00 0.00 0.00 179.25 181.64 3kyd h GLU 93 N 0.50 0.70 0.00 0.00 4.57 -1.79 -2.61 114.58 115.95 3kyd h GLU 93 Ca -0.07 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3kyd h GLU 93 Cb 1.45 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3kyd h GLU 93 CO 0.17 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.53 3kyd n ALA 94 N -2.28 1.71 0.06 2.92 0.00 -0.15 -2.59 120.51 120.20 3kyd n ALA 94 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3kyd n ALA 94 Cb 0.08 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 3kyd n ALA 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kyd h SER 95 N 0.00 0.00 -0.25 0.00 0.02 -1.32 -3.39 113.55 108.61 3kyd h SER 95 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3kyd h SER 95 Cb 0.37 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 3kyd h SER 95 CO 0.00 0.48 -0.28 0.25 -1.14 0.00 0.00 176.83 176.14 3kyd h LEU 96 N 0.00 -0.88 0.31 5.07 5.85 -1.36 -1.56 115.31 122.73 3kyd h LEU 96 Ca -0.11 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kyd h LEU 96 Cb 1.46 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 3kyd h LEU 96 CO 0.04 -0.31 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.56 3kyd h GLU 97 N -0.28 -0.47 -0.50 1.25 4.81 -1.82 0.19 114.58 117.75 3kyd h GLU 97 Ca 0.13 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3kyd h GLU 97 Cb 0.50 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3kyd h GLU 97 CO -0.41 -0.32 0.31 0.00 -0.73 0.00 0.00 179.01 177.87 3kyd h ARG 98 N -0.49 0.67 -0.48 1.92 2.47 -1.75 -0.78 114.38 115.93 3kyd h ARG 98 Ca -0.03 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3kyd h ARG 98 Cb 0.41 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3kyd h ARG 98 CO 0.03 0.47 0.28 0.00 0.56 0.00 0.00 179.97 181.31 3kyd h ALA 99 N 1.16 0.62 -0.53 0.04 0.00 -1.02 -2.87 119.26 116.65 3kyd h ALA 99 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3kyd h ALA 99 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kyd h ALA 99 CO -0.04 0.11 -0.13 0.37 0.00 0.00 0.00 179.25 179.57 3kyd h GLN 100 N 0.64 1.03 -0.19 0.00 5.75 -0.49 -3.05 115.11 118.79 3kyd h GLN 100 Ca 0.17 -0.39 0.06 0.00 -0.15 0.00 0.00 58.65 58.34 3kyd h GLN 100 Cb 0.01 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3kyd h GLN 100 CO -0.03 1.08 0.33 -0.97 -2.65 0.00 0.00 178.83 176.59 3kyd h ASN 101 N 0.90 0.00 -0.22 -0.69 -0.73 -0.91 -1.51 115.58 112.41 3kyd h ASN 101 Ca 0.13 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.21 3kyd h ASN 101 Cb 0.70 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 3kyd h ASN 101 CO 0.05 0.00 -0.19 -0.07 -0.37 0.00 0.00 177.43 176.85 3kyd h LEU 102 N 0.00 0.66 -6.15 0.34 3.38 -1.47 -3.43 115.31 108.64 3kyd h LEU 102 Ca 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3kyd h LEU 102 Cb 0.75 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 41.08 3kyd h LEU 102 CO -0.00 0.86 -0.39 0.21 0.09 0.00 0.00 178.44 179.21 3kyd s ASN 103 N -6.75 -0.79 0.55 -0.43 3.84 -0.57 -4.86 114.94 105.93 3kyd s ASN 103 Ca -0.08 0.37 0.32 0.00 0.21 0.00 0.00 52.86 53.68 3kyd s ASN 103 Cb 0.14 1.73 1.54 0.00 -0.55 0.00 0.00 41.25 44.10 3kyd s ASN 103 CO 0.81 -0.29 2.07 -0.65 -2.79 0.00 0.00 177.10 176.25 3kyd h PRO 104 N 8.07 0.00 0.00 0.43 0.11 -1.84 -2.84 132.00 135.93 3kyd h PRO 104 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kyd h PRO 104 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kyd h PRO 104 CO 0.24 0.07 0.00 0.52 -0.21 0.00 0.00 178.00 178.62 3kyd h MET 105 N 0.00 0.00 -6.30 1.05 2.86 -1.96 -3.45 114.93 107.13 3kyd h MET 105 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3kyd h MET 105 Cb 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3kyd h MET 105 CO 0.01 0.00 0.08 0.08 1.06 0.00 0.00 176.91 178.14 3kyd s VAL 106 N -3.18 4.66 -1.11 -2.22 1.01 -1.07 -4.91 120.40 113.58 3kyd s VAL 106 Ca 0.09 1.46 -0.18 0.00 0.00 0.00 0.00 61.98 63.35 3kyd s VAL 106 Cb 0.11 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.57 3kyd s VAL 106 CO 0.57 0.47 1.42 -0.62 0.00 0.00 0.00 175.10 176.94 3kyd s ASP 107 N -0.69 6.78 -0.17 3.32 -1.08 -0.54 -4.94 116.67 119.36 3kyd s ASP 107 Ca 0.34 -2.31 -0.26 0.00 -0.52 0.00 0.00 52.55 49.80 3kyd s ASP 107 Cb -0.21 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 3kyd s ASP 107 CO 0.22 -1.08 0.89 -0.69 0.52 0.00 0.00 175.17 175.03 3kyd s VAL 108 N 3.13 4.84 0.26 1.11 1.01 -1.26 -1.58 120.40 127.90 3kyd s VAL 108 Ca 0.43 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.21 3kyd s VAL 108 Cb -0.01 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3kyd s VAL 108 CO -0.03 -0.00 -0.03 -0.54 0.00 0.00 0.00 175.10 174.49 3kyd s LYS 109 N 2.27 1.45 0.13 2.72 1.02 0.82 -4.96 119.74 123.19 3kyd s LYS 109 Ca 0.41 -1.73 0.08 0.00 0.02 0.00 0.00 55.97 54.74 3kyd s LYS 109 Cb -0.17 -0.90 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 3kyd s LYS 109 CO 0.12 -0.03 -0.19 0.14 -0.92 0.00 0.00 175.35 174.48 3kyd s VAL 110 N -3.20 1.69 -0.03 3.17 -7.23 -1.26 -0.45 120.40 113.08 3kyd s VAL 110 Ca 0.29 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 3kyd s VAL 110 Cb 0.05 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.38 3kyd s VAL 110 CO 0.10 -0.20 0.05 -0.62 -0.31 0.00 0.00 175.10 174.12 3kyd s ASP 111 N -2.24 0.57 0.01 4.85 -1.08 0.60 -4.86 116.67 114.51 3kyd s ASP 111 Ca 0.10 0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.42 3kyd s ASP 111 Cb -0.08 -0.09 -0.06 0.00 -1.46 0.00 0.00 42.92 41.23 3kyd s ASP 111 CO 0.05 -0.19 0.97 0.35 0.52 0.00 0.00 175.17 176.87 3kyd n THR 112 N 4.72 0.04 -1.85 1.71 -2.24 -1.26 -1.76 114.28 113.63 3kyd n THR 112 Ca -0.16 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 3kyd n THR 112 Cb 0.50 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3kyd n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kyd s GLU 113 N -3.10 3.23 0.15 -0.78 2.12 -1.26 -3.95 118.70 115.10 3kyd s GLU 113 Ca 0.06 1.03 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 3kyd s GLU 113 Cb 0.16 -2.03 -0.07 0.00 0.26 0.00 0.00 34.13 32.45 3kyd s GLU 113 CO 0.83 -0.87 1.20 0.34 -0.54 0.00 0.00 175.26 176.22 3kyd s ASP 114 N -3.37 7.08 0.37 -1.70 2.15 -1.26 -4.41 116.67 115.54 3kyd s ASP 114 Ca 0.60 2.18 0.10 0.00 0.43 0.00 0.00 52.55 55.86 3kyd s ASP 114 Cb -0.14 -2.60 0.74 0.00 -0.30 0.00 0.00 42.92 40.62 3kyd s ASP 114 CO 0.46 -0.40 1.86 -0.29 -0.17 0.00 0.00 175.17 176.63 3kyd h ILE 115 N 3.96 1.22 0.00 4.11 6.09 -1.97 -3.01 117.51 127.91 3kyd h ILE 115 Ca -0.44 -1.02 -0.09 0.00 -1.37 0.00 0.00 64.86 61.95 3kyd h ILE 115 Cb 1.21 1.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.93 3kyd h ILE 115 CO 0.77 0.30 -0.41 -0.08 -3.07 0.00 0.00 178.15 175.66 3kyd h GLU 116 N 0.13 0.00 -0.44 2.19 4.81 -1.99 -2.69 114.58 116.59 3kyd h GLU 116 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3kyd h GLU 116 Cb 0.52 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 3kyd h GLU 116 CO 0.04 0.41 0.07 0.36 -0.73 0.00 0.00 179.01 179.16 3kyd n LYS 117 N -3.90 2.70 -3.32 1.92 2.85 -1.14 -4.98 118.16 112.28 3kyd n LYS 117 Ca -0.01 -3.02 -0.38 0.00 -1.05 0.00 0.00 58.31 53.84 3kyd n LYS 117 Cb 0.46 -1.94 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 3kyd n LYS 117 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kyd s LYS 118 N -3.03 4.31 0.81 -1.58 2.47 -1.02 -4.97 119.74 116.73 3kyd s LYS 118 Ca 0.47 0.42 -0.10 0.00 -1.56 0.00 0.00 55.97 55.19 3kyd s LYS 118 Cb 0.39 -3.45 0.08 0.00 -1.46 0.00 0.00 37.83 33.39 3kyd s LYS 118 CO 0.07 0.12 1.11 -2.14 0.16 0.00 0.00 175.35 174.67 3kyd s PRO 119 N 0.75 1.90 0.46 4.03 0.02 -1.26 -4.94 135.00 135.97 3kyd s PRO 119 Ca 0.25 1.26 0.17 0.00 0.02 0.00 0.00 61.00 62.70 3kyd s PRO 119 Cb -0.15 -1.85 1.09 0.00 0.02 0.00 0.00 34.50 33.61 3kyd s PRO 119 CO 0.10 -1.92 2.01 1.49 -0.33 0.00 0.00 177.00 178.34 3kyd h GLU 120 N -1.34 0.00 -0.48 5.54 4.81 -2.00 -2.70 114.58 118.41 3kyd h GLU 120 Ca -0.44 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3kyd h GLU 120 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3kyd h GLU 120 CO 0.49 0.17 0.32 1.03 -0.73 0.00 0.00 179.01 180.29 3kyd h SER 121 N 0.00 0.42 -0.94 1.04 0.87 -2.03 -3.01 113.55 109.90 3kyd h SER 121 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3kyd h SER 121 Cb 0.32 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3kyd h SER 121 CO 0.02 0.29 0.56 0.15 -0.53 0.00 0.00 176.83 177.32 3kyd h PHE 122 N 0.49 1.24 0.00 2.24 3.57 -1.85 -3.16 116.94 119.46 3kyd h PHE 122 Ca 0.20 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 3kyd h PHE 122 Cb 0.18 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3kyd h PHE 122 CO -0.00 0.82 -0.54 0.74 -2.23 0.00 0.00 178.31 177.10 3kyd h PHE 123 N 1.29 0.00 0.00 0.41 -1.00 -1.70 -3.27 116.94 112.67 3kyd h PHE 123 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 3kyd h PHE 123 Cb -0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.51 3kyd h PHE 123 CO 0.01 0.54 0.00 0.25 -1.61 0.00 0.00 178.31 177.50 3kyd n THR 124 N -3.77 0.93 1.23 -1.55 -2.24 -1.19 -1.45 114.28 106.24 3kyd n THR 124 Ca -0.01 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 3kyd n THR 124 Cb 0.57 -1.06 0.50 0.00 -2.10 0.00 0.00 70.33 68.24 3kyd n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kyd n GLN 125 N -1.36 0.46 -4.44 -0.78 10.64 -1.23 -4.90 117.38 115.77 3kyd n GLN 125 Ca 0.04 -0.19 -0.32 0.00 -1.83 0.00 0.00 57.00 54.70 3kyd n GLN 125 Cb 0.10 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.88 3kyd n GLN 125 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3kyd s PHE 126 N -2.67 2.90 0.05 2.61 0.40 -0.53 -4.80 117.98 115.94 3kyd s PHE 126 Ca 0.22 -0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 3kyd s PHE 126 Cb 0.19 -1.62 -0.29 0.00 0.51 0.00 0.00 43.02 41.82 3kyd s PHE 126 CO 0.54 0.38 1.03 -0.44 0.70 0.00 0.00 175.22 177.43 3kyd h ASP 127 N 4.52 0.45 -4.19 1.36 3.32 -0.93 -3.46 116.42 117.49 3kyd h ASP 127 Ca -0.48 -0.53 -0.24 0.00 0.02 0.00 0.00 57.03 55.80 3kyd h ASP 127 Cb 1.17 -0.15 -0.26 0.00 0.22 0.00 0.00 39.33 40.32 3kyd h ASP 127 CO 0.54 1.42 -0.72 0.00 -1.72 0.00 0.00 179.24 178.76 3kyd s ALA 128 N -2.64 0.19 -0.10 3.45 0.00 -1.17 -1.81 121.76 119.68 3kyd s ALA 128 Ca -0.06 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3kyd s ALA 128 Cb 0.07 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kyd s ALA 128 CO 0.88 -0.02 -0.18 0.08 0.00 0.00 0.00 175.76 176.52 3kyd s VAL 129 N -0.54 1.67 -0.20 0.00 1.01 0.67 -0.86 120.40 122.14 3kyd s VAL 129 Ca -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3kyd s VAL 129 Cb -0.04 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.89 3kyd s VAL 129 CO -0.00 0.47 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 3kyd s LEU 131 N 1.34 3.99 0.10 0.00 1.02 -0.35 -0.66 118.68 124.11 3kyd s LEU 131 Ca -0.01 0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.30 3kyd s LEU 131 Cb -0.16 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 3kyd s LEU 131 CO -0.08 0.13 -0.13 0.42 0.02 0.00 0.00 176.35 176.71 3kyd s THR 132 N 0.62 1.17 0.00 5.49 -4.23 0.21 -1.80 115.64 117.10 3kyd s THR 132 Ca 0.06 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3kyd s THR 132 Cb -0.12 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3kyd s THR 132 CO 0.01 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 173.72 3kyd s SER 135 N -2.59 4.70 0.26 0.00 1.04 -1.26 -4.79 113.70 111.06 3kyd s SER 135 Ca 0.49 2.06 -0.02 0.00 0.48 0.00 0.00 55.95 58.96 3kyd s SER 135 Cb -0.11 -2.56 0.55 0.00 0.10 0.00 0.00 66.02 64.01 3kyd s SER 135 CO 0.23 -1.91 1.70 -0.09 0.98 0.00 0.00 173.24 174.15 3kyd h ARG 136 N -0.32 0.34 -0.71 4.02 2.43 -1.95 -0.10 114.38 118.10 3kyd h ARG 136 Ca -0.46 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 3kyd h ARG 136 Cb 1.26 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3kyd h ARG 136 CO 0.52 0.23 0.26 -0.44 -1.51 0.00 0.00 179.97 179.03 3kyd h ASP 137 N 0.35 0.99 -0.37 -3.80 3.45 -1.97 0.24 116.42 115.32 3kyd h ASP 137 Ca 0.47 -0.16 -0.14 0.00 0.43 0.00 0.00 57.03 57.63 3kyd h ASP 137 Cb 0.81 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3kyd h ASP 137 CO -0.50 0.90 -0.28 0.58 -1.57 0.00 0.00 179.24 178.38 3kyd h VAL 138 N 1.04 1.27 -0.26 -1.35 2.07 -1.66 -2.23 116.25 115.13 3kyd h VAL 138 Ca 0.24 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3kyd h VAL 138 Cb 0.24 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3kyd h VAL 138 CO -0.02 0.48 0.13 0.40 0.02 0.00 0.00 177.57 178.59 3kyd h ILE 139 N 0.76 1.00 -0.25 4.57 2.04 -0.37 -2.02 117.51 123.24 3kyd h ILE 139 Ca 0.09 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3kyd h ILE 139 Cb 0.84 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kyd h ILE 139 CO 0.07 0.05 -0.02 0.58 0.00 0.00 0.00 178.15 178.83 3kyd h VAL 140 N 0.28 1.27 0.70 1.67 2.07 -0.93 -2.00 116.25 119.31 3kyd h VAL 140 Ca 0.10 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3kyd h VAL 140 Cb 0.02 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3kyd h VAL 140 CO -0.06 0.30 -0.45 0.50 0.02 0.00 0.00 177.57 177.88 3kyd h LYS 141 N 0.22 -1.04 -0.88 1.57 3.64 -1.35 0.29 116.57 119.02 3kyd h LYS 141 Ca 0.07 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 3kyd h LYS 141 Cb 0.46 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 3kyd h LYS 141 CO 0.02 -0.70 0.53 0.28 -2.27 0.00 0.00 179.45 177.32 3kyd h VAL 142 N -1.08 0.96 -0.43 2.00 2.07 -1.42 0.43 116.25 118.77 3kyd h VAL 142 Ca -0.09 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kyd h VAL 142 Cb 0.88 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kyd h VAL 142 CO 0.08 0.17 0.25 -0.78 0.02 0.00 0.00 177.57 177.31 3kyd h ASP 143 N 0.91 0.41 -0.76 0.57 1.82 -1.17 -0.50 116.42 117.69 3kyd h ASP 143 Ca 0.42 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.04 3kyd h ASP 143 Cb 0.33 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 3kyd h ASP 143 CO -0.23 0.29 0.38 1.56 -1.61 0.00 0.00 179.24 179.63 3kyd h GLN 144 N 0.51 1.10 -0.19 0.28 4.20 0.35 -2.20 115.11 119.16 3kyd h GLN 144 Ca 0.17 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3kyd h GLN 144 Cb 0.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3kyd h GLN 144 CO -0.08 0.84 0.05 0.82 -0.67 0.00 0.00 178.83 179.78 3kyd h ILE 145 N 1.09 1.20 -0.31 2.54 2.04 -0.54 -2.65 117.51 120.89 3kyd h ILE 145 Ca 0.27 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3kyd h ILE 145 Cb 0.09 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3kyd h ILE 145 CO -0.04 0.20 0.10 0.00 0.00 0.00 0.00 178.15 178.41 3kyd h HIS 147 N 0.23 1.21 -0.47 0.00 -0.00 -1.40 0.26 115.15 114.98 3kyd h HIS 147 Ca 0.14 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 3kyd h HIS 147 Cb 0.11 -0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 3kyd h HIS 147 CO -0.14 0.75 0.19 -0.22 -0.00 0.00 0.00 177.93 178.51 3kyd h LYS 148 N 1.29 0.67 -0.38 5.26 3.64 -1.08 -3.12 116.57 122.86 3kyd h LYS 148 Ca 0.36 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kyd h LYS 148 Cb -0.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3kyd h LYS 148 CO -0.08 0.55 0.00 0.09 -2.27 0.00 0.00 179.45 177.74 3kyd n ASN 149 N -4.36 3.88 -1.65 4.20 3.02 -0.59 -4.96 115.26 114.80 3kyd n ASN 149 Ca 0.04 -2.58 -0.20 0.00 -0.03 0.00 0.00 54.58 51.80 3kyd n ASN 149 Cb 0.15 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 3kyd n ASN 149 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kyd n SER 150 N 0.21 -5.33 -4.79 6.41 7.64 0.59 -4.97 113.62 113.37 3kyd n SER 150 Ca 0.20 0.46 -0.37 0.00 1.01 0.00 0.00 58.87 60.16 3kyd n SER 150 Cb 0.77 -4.70 -0.06 0.00 -1.01 0.00 0.00 64.21 59.21 3kyd n SER 150 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kyd s ILE 151 N -2.73 4.33 -0.07 0.44 1.01 0.53 -4.98 121.20 119.73 3kyd s ILE 151 Ca 0.00 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 3kyd s ILE 151 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3kyd s ILE 151 CO 0.00 0.23 0.98 -0.54 0.00 0.00 0.00 174.94 175.61 3kyd s LYS 152 N -1.86 4.46 -0.11 2.79 1.02 -0.75 -4.21 119.74 121.09 3kyd s LYS 152 Ca 0.46 1.36 -0.03 0.00 0.02 0.00 0.00 55.97 57.78 3kyd s LYS 152 Cb -0.19 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 3kyd s LYS 152 CO 0.24 -0.22 -0.00 0.12 -0.92 0.00 0.00 175.35 174.57 3kyd s PHE 153 N 1.65 3.13 0.01 3.18 5.36 -0.80 -0.24 117.98 130.27 3kyd s PHE 153 Ca 0.49 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.53 3kyd s PHE 153 Cb -0.19 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 3kyd s PHE 153 CO 0.21 0.34 -0.00 -0.06 -1.46 0.00 0.00 175.22 174.25 3kyd s PHE 154 N -0.53 0.16 0.08 10.12 0.40 0.47 -1.02 117.98 127.67 3kyd s PHE 154 Ca 0.09 -0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.02 3kyd s PHE 154 Cb -0.12 -0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.29 3kyd s PHE 154 CO 0.02 -0.14 0.18 -0.08 0.70 0.00 0.00 175.22 175.90 3kyd s THR 155 N -1.00 0.14 -0.26 0.64 -1.32 -0.11 -1.21 115.64 112.52 3kyd s THR 155 Ca -0.11 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 58.92 3kyd s THR 155 Cb -0.07 -1.29 0.17 0.00 -1.51 0.00 0.00 72.50 69.80 3kyd s THR 155 CO -0.00 -0.65 1.26 -0.83 -2.21 0.00 0.00 174.62 172.19 3kyd s GLY 156 N -2.76 0.03 0.08 6.08 0.00 -0.75 0.20 107.32 110.20 3kyd s GLY 156 Ca 0.04 2.73 -0.09 0.00 0.00 0.00 0.00 44.72 47.40 3kyd s GLY 156 CO -0.10 1.25 0.19 0.99 0.00 0.00 0.00 173.10 175.43 3kyd s ASP 157 N -0.81 0.11 -0.10 1.64 1.01 -1.02 -4.33 116.67 113.17 3kyd s ASP 157 Ca 0.06 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.70 3kyd s ASP 157 Cb -0.02 0.34 -0.02 0.00 1.01 0.00 0.00 42.92 44.23 3kyd s ASP 157 CO -0.07 -0.72 -0.15 -0.69 0.21 0.00 0.00 175.17 173.76 3kyd s VAL 158 N -3.76 2.94 -0.31 -1.27 1.01 -1.26 -1.60 120.40 116.15 3kyd s VAL 158 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3kyd s VAL 158 Cb 0.04 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.33 3kyd s VAL 158 CO -0.10 0.55 0.12 -0.36 0.00 0.00 0.00 175.10 175.31 3kyd s PHE 159 N 0.04 1.17 0.00 5.22 0.40 0.73 -4.79 117.98 120.75 3kyd s PHE 159 Ca -0.05 -1.47 0.00 0.00 -0.60 0.00 0.00 56.93 54.81 3kyd s PHE 159 Cb -0.15 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.00 3kyd s PHE 159 CO 0.04 -0.85 0.00 0.41 0.70 0.00 0.00 175.22 175.52 3kyd n GLY 160 N 4.86 3.55 0.00 4.36 0.00 0.48 -1.30 105.19 117.14 3kyd n GLY 160 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3kyd n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kyd n TYR 161 N 14.00 0.00 -3.84 1.61 4.02 0.20 -3.95 117.16 129.20 3kyd n TYR 161 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3kyd n TYR 161 Cb 0.00 -0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 3kyd n TYR 161 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3kyd s HIS 162 N -2.95 3.50 -0.16 -0.72 3.76 -0.42 -0.07 115.29 118.23 3kyd s HIS 162 Ca 0.12 0.32 -0.28 0.00 -0.15 0.00 0.00 55.06 55.07 3kyd s HIS 162 Cb 0.15 -1.82 0.09 0.00 1.11 0.00 0.00 32.58 32.11 3kyd s HIS 162 CO 0.41 0.53 0.80 0.20 -0.85 0.00 0.00 174.74 175.82 3kyd s GLY 163 N -2.62 -0.45 0.05 -2.22 0.00 -0.44 -0.19 107.32 101.44 3kyd s GLY 163 Ca 0.37 1.82 -0.01 0.00 0.00 0.00 0.00 44.72 46.90 3kyd s GLY 163 CO 0.27 1.30 -0.03 -2.52 0.00 0.00 0.00 173.10 172.13 3kyd s TYR 164 N -0.56 0.51 0.01 1.90 -0.85 -0.62 -0.18 117.35 117.56 3kyd s TYR 164 Ca -0.04 -1.05 0.02 0.00 -0.52 0.00 0.00 57.07 55.48 3kyd s TYR 164 Cb -0.02 -0.38 -0.01 0.00 0.38 0.00 0.00 41.96 41.93 3kyd s TYR 164 CO 0.04 -0.38 -0.08 0.95 -1.52 0.00 0.00 175.55 174.57 3kyd s THR 165 N -3.86 0.58 -0.00 -3.49 -4.23 -0.17 -2.43 115.64 102.04 3kyd s THR 165 Ca 0.06 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3kyd s THR 165 Cb 0.07 -0.53 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 3kyd s THR 165 CO -0.10 0.00 -0.14 0.12 -0.54 0.00 0.00 174.62 173.97 3kyd s PHE 166 N -0.52 1.21 0.12 3.99 5.36 0.13 -0.67 117.98 127.60 3kyd s PHE 166 Ca -0.01 -0.24 0.09 0.00 -0.96 0.00 0.00 56.93 55.81 3kyd s PHE 166 Cb -0.05 -0.77 -0.04 0.00 -0.34 0.00 0.00 43.02 41.82 3kyd s PHE 166 CO 0.00 -0.01 -0.21 0.00 -1.46 0.00 0.00 175.22 173.54 3kyd s ALA 167 N -0.39 1.93 -0.26 11.12 0.00 -0.76 -0.93 121.76 132.46 3kyd s ALA 167 Ca 0.05 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3kyd s ALA 167 Cb -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.93 3kyd s ALA 167 CO -0.00 0.36 0.25 1.21 0.00 0.00 0.00 175.76 177.58 3kyd s ASN 168 N -2.09 1.81 0.00 0.00 3.04 -0.18 -4.58 114.94 112.93 3kyd s ASN 168 Ca 0.09 -0.64 0.13 0.00 0.04 0.00 0.00 52.86 52.48 3kyd s ASN 168 Cb -0.09 0.37 0.14 0.00 -1.54 0.00 0.00 41.25 40.13 3kyd s ASN 168 CO 0.05 -0.38 0.96 0.18 -3.04 0.00 0.00 177.10 174.88 3kyd n LEU 169 N 5.31 2.21 0.00 3.21 4.77 -1.26 -1.91 117.00 129.33 3kyd n LEU 169 Ca -0.04 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3kyd n LEU 169 Cb 0.47 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kyd n LEU 169 CO 0.03 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3kyd n GLY 170 N 0.70 3.17 3.56 -0.72 0.00 -1.26 -4.06 105.19 106.58 3kyd n GLY 170 Ca 0.08 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3kyd n GLY 170 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kyd s GLU 171 N 0.00 3.06 -0.10 1.61 2.12 -1.26 -1.12 118.70 123.01 3kyd s GLU 171 Ca 0.00 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.72 3kyd s GLU 171 Cb 0.00 -4.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.15 3kyd s GLU 171 CO 0.00 -2.24 -0.17 -1.58 -0.54 0.00 0.00 175.26 170.73 3kyd s HIS 172 N 6.97 2.70 -0.07 5.30 2.46 -0.33 -5.00 115.29 127.32 3kyd s HIS 172 Ca 0.54 -0.65 0.04 0.00 0.47 0.00 0.00 55.06 55.45 3kyd s HIS 172 Cb -0.11 -1.75 -0.02 0.00 -0.13 0.00 0.00 32.58 30.56 3kyd s HIS 172 CO 0.21 -0.19 -0.17 -2.00 -2.47 0.00 0.00 174.74 170.12 3kyd s GLU 173 N 0.11 2.67 0.08 2.88 2.12 -1.26 -0.95 118.70 124.34 3kyd s GLU 173 Ca -0.08 -0.75 -0.10 0.00 0.36 0.00 0.00 54.97 54.40 3kyd s GLU 173 Cb -0.15 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.88 3kyd s GLU 173 CO 0.05 0.49 0.21 -0.59 -0.54 0.00 0.00 175.26 174.88 3kyd s PHE 174 N -0.38 0.09 -0.39 5.30 -0.12 -0.42 -4.80 117.98 117.27 3kyd s PHE 174 Ca 0.04 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.46 3kyd s PHE 174 Cb -0.12 -0.03 0.11 0.00 -0.63 0.00 0.00 43.02 42.35 3kyd s PHE 174 CO 0.02 -0.52 0.15 0.14 -0.05 0.00 0.00 175.22 174.96 3kyd s VAL 175 N -3.47 2.89 -0.11 -2.49 -7.23 -0.79 -1.06 120.40 108.13 3kyd s VAL 175 Ca 0.02 -2.23 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 3kyd s VAL 175 Cb 0.03 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 3kyd s VAL 175 CO -0.09 -0.66 0.04 -0.70 -0.31 0.00 0.00 175.10 173.37 3kyd s GLU 176 N 0.98 3.26 0.07 4.82 2.12 -1.10 -4.46 118.70 124.39 3kyd s GLU 176 Ca 0.10 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 3kyd s GLU 176 Cb -0.21 -2.95 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 3kyd s GLU 176 CO -0.06 0.63 0.95 -1.83 -0.54 0.00 0.00 175.26 174.42 3kyd s GLU 177 N -0.67 4.64 -0.27 4.30 -1.05 -1.26 -2.04 118.70 122.34 3kyd s GLU 177 Ca 0.11 1.41 -0.11 0.00 -0.15 0.00 0.00 54.97 56.23 3kyd s GLU 177 Cb -0.12 -3.40 -0.05 0.00 -0.44 0.00 0.00 34.13 30.12 3kyd s GLU 177 CO 0.02 0.13 0.18 0.15 0.95 0.00 0.00 175.26 176.69 3kyd s LYS 178 N 0.34 3.95 0.51 -4.83 -0.14 -0.54 -4.95 119.74 114.08 3kyd s LYS 178 Ca 0.48 -0.32 -0.23 0.00 -1.36 0.00 0.00 55.97 54.54 3kyd s LYS 178 Cb -0.22 -3.63 -0.06 0.00 -1.68 0.00 0.00 37.83 32.24 3kyd s LYS 178 CO 0.29 -0.15 1.38 0.99 -0.76 0.00 0.00 175.35 177.10 3kyd s THR 179 N 1.65 2.11 0.20 2.17 2.01 -1.26 -3.65 115.64 118.86 3kyd s THR 179 Ca 0.07 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 3kyd s THR 179 Cb -0.16 -3.05 -0.16 0.00 0.01 0.00 0.00 72.50 69.15 3kyd s THR 179 CO 0.10 0.00 0.93 0.29 -0.69 0.00 0.00 174.62 175.26 3kyd n LYS 180 N -0.69 0.78 -4.10 4.92 5.02 -1.26 -4.99 118.16 117.84 3kyd n LYS 180 Ca 0.08 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.32 3kyd n LYS 180 Cb 0.44 -1.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.69 3kyd n LYS 180 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kyd s VAL 181 N -0.63 2.08 0.06 -0.18 1.01 -1.26 -5.12 120.40 116.36 3kyd s VAL 181 Ca 0.68 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3kyd s VAL 181 Cb -0.87 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3kyd s VAL 181 CO 0.56 0.35 -0.08 0.00 0.00 0.00 0.00 175.10 175.93 3kyd s ALA 182 N 1.24 0.76 -0.01 5.51 0.00 -1.26 -5.25 121.76 122.74 3kyd s ALA 182 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3kyd s ALA 182 Cb -0.15 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3kyd s ALA 182 CO -0.10 -0.06 0.81 1.17 0.00 0.00 0.00 175.76 177.57 3kyd n LYS 183 N 0.99 0.45 -4.19 0.00 3.00 -1.26 -5.34 118.16 111.81 3kyd n LYS 183 Ca -0.19 -1.01 -0.16 0.00 -0.00 0.00 0.00 58.31 56.94 3kyd n LYS 183 Cb 0.56 -0.65 -0.14 0.00 0.00 0.00 0.00 35.03 34.80 3kyd n LYS 183 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kyd s THR 204 N -0.40 0.48 0.12 3.15 -4.23 -1.26 -5.40 115.64 108.10 3kyd s THR 204 Ca 0.03 -0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 3kyd s THR 204 Cb 0.03 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 3kyd s THR 204 CO 0.00 0.10 -0.18 0.42 -0.54 0.00 0.00 174.62 174.43 3kyd s THR 205 N -0.22 1.59 0.30 3.99 -4.23 -1.24 -4.97 115.64 110.87 3kyd s THR 205 Ca 0.02 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 3kyd s THR 205 Cb -0.03 -1.57 -0.10 0.00 1.34 0.00 0.00 72.50 72.15 3kyd s THR 205 CO -0.00 -0.22 0.89 -0.32 -0.54 0.00 0.00 174.62 174.44 3kyd s MET 206 N -2.27 4.49 -0.08 3.99 1.75 -1.26 -1.47 119.30 124.46 3kyd s MET 206 Ca 0.08 1.21 -0.04 0.00 -1.25 0.00 0.00 55.69 55.69 3kyd s MET 206 Cb -0.08 -2.79 0.04 0.00 2.84 0.00 0.00 34.83 34.83 3kyd s MET 206 CO 0.04 0.29 0.18 0.54 -0.65 0.00 0.00 175.02 175.43 3kyd s VAL 207 N -1.62 -0.03 0.32 10.11 0.11 -0.87 -4.93 120.40 123.49 3kyd s VAL 207 Ca 0.49 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 59.39 3kyd s VAL 207 Cb -0.18 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.29 3kyd s VAL 207 CO 0.23 0.05 1.06 -0.54 -3.33 0.00 0.00 175.10 172.57 3kyd s LYS 208 N 0.93 4.49 -0.12 1.54 1.02 -1.26 -2.71 119.74 123.63 3kyd s LYS 208 Ca -0.07 1.66 -0.12 0.00 0.02 0.00 0.00 55.97 57.46 3kyd s LYS 208 Cb -0.09 -2.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3kyd s LYS 208 CO -0.05 0.11 0.34 0.21 -0.92 0.00 0.00 175.35 175.04 3kyd s LYS 209 N -1.82 0.42 -0.15 1.68 2.47 -0.23 -5.00 119.74 117.12 3kyd s LYS 209 Ca 0.49 0.42 -0.00 0.00 -1.56 0.00 0.00 55.97 55.32 3kyd s LYS 209 Cb -0.27 0.20 -0.01 0.00 -1.46 0.00 0.00 37.83 36.29 3kyd s LYS 209 CO 0.35 -0.06 -0.13 0.15 0.16 0.00 0.00 175.35 175.82 3kyd s LYS 210 N 0.05 3.34 -0.04 4.03 1.02 -1.26 -1.29 119.74 125.59 3kyd s LYS 210 Ca -0.01 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.35 3kyd s LYS 210 Cb -0.03 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3kyd s LYS 210 CO 0.01 0.12 -0.24 0.08 -0.92 0.00 0.00 175.35 174.40 3kyd s VAL 211 N 0.59 1.94 -0.25 3.17 1.01 -0.13 -4.98 120.40 121.75 3kyd s VAL 211 Ca -0.08 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 3kyd s VAL 211 Cb -0.16 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3kyd s VAL 211 CO 0.03 0.54 0.09 -0.69 0.00 0.00 0.00 175.10 175.07 3kyd s VAL 212 N -0.31 4.49 0.47 2.92 1.01 -1.26 -1.19 120.40 126.53 3kyd s VAL 212 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3kyd s VAL 212 Cb -0.12 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3kyd s VAL 212 CO 0.02 0.33 0.68 -0.36 0.00 0.00 0.00 175.10 175.76 3kyd s PHE 213 N 1.56 3.03 0.15 5.22 0.40 -0.27 -4.98 117.98 123.09 3kyd s PHE 213 Ca 0.06 0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.49 3kyd s PHE 213 Cb -0.15 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 3kyd s PHE 213 CO 0.05 -0.52 -0.17 0.00 0.70 0.00 0.00 175.22 175.28 3kyd n PRO 215 N 0.39 0.88 0.10 0.00 -0.02 -1.26 -4.79 135.00 130.31 3kyd n PRO 215 Ca -0.14 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.76 3kyd n PRO 215 Cb 0.57 -2.16 0.54 0.00 -0.02 0.00 0.00 33.50 32.43 3kyd n PRO 215 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kyd h VAL 216 N 0.47 1.02 -0.42 -1.45 -1.51 -1.94 -2.32 116.25 110.11 3kyd h VAL 216 Ca -0.48 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.85 3kyd h VAL 216 Cb 1.36 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 3kyd h VAL 216 CO 0.51 0.05 0.11 0.50 -1.23 0.00 0.00 177.57 177.50 3kyd h LYS 217 N 0.27 0.66 -0.26 5.19 3.64 -1.92 0.27 116.57 124.42 3kyd h LYS 217 Ca 0.10 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3kyd h LYS 217 Cb 0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kyd h LYS 217 CO -0.02 0.67 -0.34 0.93 -2.27 0.00 0.00 179.45 178.42 3kyd h GLU 218 N 0.53 0.57 0.00 1.90 5.08 -1.82 0.17 114.58 121.02 3kyd h GLU 218 Ca 0.13 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3kyd h GLU 218 Cb 0.31 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3kyd h GLU 218 CO 0.00 0.84 -0.49 0.00 -1.00 0.00 0.00 179.01 178.35 3kyd h ALA 219 N 1.14 1.16 0.03 3.43 0.00 -0.95 -3.23 119.26 120.85 3kyd h ALA 219 Ca 0.05 -0.45 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 3kyd h ALA 219 Cb 0.82 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3kyd h ALA 219 CO 0.07 0.62 -1.93 1.28 0.00 0.00 0.00 179.25 179.28 3kyd n LEU 220 N -3.91 1.33 -3.54 0.00 4.77 0.91 -4.44 117.00 112.13 3kyd n LEU 220 Ca -0.01 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 3kyd n LEU 220 Cb 0.51 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3kyd n LEU 220 CO 0.40 0.56 1.36 -0.62 -1.33 0.00 0.00 177.39 177.76 3kyd n GLU 221 N -3.13 5.11 -2.54 3.23 1.02 0.58 -5.01 120.64 119.90 3kyd n GLU 221 Ca -0.25 -4.60 -0.41 0.00 -0.02 0.00 0.00 57.16 51.88 3kyd n GLU 221 Cb 1.06 -2.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3kyd n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kyd s VAL 222 N -4.41 4.06 -0.26 2.62 1.01 -1.22 -4.81 120.40 117.39 3kyd s VAL 222 Ca 0.41 1.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.86 3kyd s VAL 222 Cb 0.22 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3kyd s VAL 222 CO -0.15 0.24 0.64 -0.62 0.00 0.00 0.00 175.10 175.20 3kyd s ASP 223 N 0.22 6.58 0.00 3.32 3.68 -1.26 -4.95 116.67 124.26 3kyd s ASP 223 Ca 0.51 0.69 0.23 0.00 2.13 0.00 0.00 52.55 56.11 3kyd s ASP 223 Cb -0.28 -2.34 0.43 0.00 -1.45 0.00 0.00 42.92 39.28 3kyd s ASP 223 CO 0.33 -0.38 1.40 0.79 0.13 0.00 0.00 175.17 177.43 3kyd n TRP 224 N 5.73 0.53 1.29 -5.34 7.02 -1.26 -4.15 117.44 121.26 3kyd n TRP 224 Ca -0.00 -0.27 0.14 0.00 -1.02 0.00 0.00 57.50 56.34 3kyd n TRP 224 Cb 0.49 -0.00 0.55 0.00 -2.42 0.00 0.00 31.31 29.93 3kyd n TRP 224 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3kyd n SER 225 N 1.47 0.45 -4.81 -0.99 3.41 -1.26 -4.38 113.62 107.51 3kyd n SER 225 Ca 0.19 -0.42 -0.30 0.00 -0.26 0.00 0.00 58.87 58.08 3kyd n SER 225 Cb 0.60 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.55 3kyd n SER 225 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kyd s SER 226 N -2.61 4.91 0.15 4.04 0.15 -1.26 -4.98 113.70 114.11 3kyd s SER 226 Ca 0.24 1.46 -0.07 0.00 0.70 0.00 0.00 55.95 58.28 3kyd s SER 226 Cb 0.20 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 3kyd s SER 226 CO 0.51 -1.72 1.42 -0.33 1.20 0.00 0.00 173.24 174.32 3kyd h GLU 227 N -0.91 0.66 -0.32 5.44 3.07 -1.95 -2.94 114.58 117.63 3kyd h GLU 227 Ca -0.45 -0.47 -0.16 0.00 -0.50 0.00 0.00 59.36 57.78 3kyd h GLU 227 Cb 1.24 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3kyd h GLU 227 CO 0.58 1.09 -0.45 0.87 -1.40 0.00 0.00 179.01 179.70 3kyd h LYS 228 N 0.48 0.82 0.00 2.33 1.57 -1.97 -3.23 116.57 116.58 3kyd h LYS 228 Ca -0.01 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 3kyd h LYS 228 Cb 1.23 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kyd h LYS 228 CO 0.13 1.10 -0.38 0.00 -0.57 0.00 0.00 179.45 179.73 3kyd h ALA 229 N 0.83 1.01 -0.42 3.86 0.00 -1.86 -2.59 119.26 120.09 3kyd h ALA 229 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3kyd h ALA 229 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kyd h ALA 229 CO 0.10 0.47 -0.08 -0.22 0.00 0.00 0.00 179.25 179.52 3kyd h LYS 230 N 0.00 0.79 0.00 0.00 1.63 -1.53 0.13 116.57 117.59 3kyd h LYS 230 Ca -0.00 -0.29 -0.10 0.00 -0.85 0.00 0.00 60.65 59.40 3kyd h LYS 230 Cb 0.88 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3kyd h LYS 230 CO 0.05 0.91 -0.49 0.00 -3.45 0.00 0.00 179.45 176.47 3kyd h ALA 231 N 0.86 0.91 -0.01 5.00 0.00 -1.62 -3.01 119.26 121.39 3kyd h ALA 231 Ca 0.11 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3kyd h ALA 231 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kyd h ALA 231 CO 0.04 0.61 -0.69 0.00 0.00 0.00 0.00 179.25 179.21 3kyd h ALA 232 N 1.51 0.85 -0.72 0.00 0.00 -1.16 -3.34 119.26 116.39 3kyd h ALA 232 Ca -0.00 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.36 3kyd h ALA 232 Cb 1.06 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3kyd h ALA 232 CO 0.06 0.84 0.39 1.25 0.00 0.00 0.00 179.25 181.79 3kyd h LEU 233 N 0.03 0.56 -1.40 0.00 5.85 -0.60 -0.80 115.31 118.95 3kyd h LEU 233 Ca -0.01 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3kyd h LEU 233 Cb 1.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3kyd h LEU 233 CO 0.09 0.34 -0.09 0.11 -0.34 0.00 0.00 178.44 178.56 3kyd h LYS 234 N 0.69 0.29 0.00 1.25 6.56 -1.69 -2.79 116.57 120.88 3kyd h LYS 234 Ca 0.33 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 3kyd h LYS 234 Cb 0.27 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3kyd h LYS 234 CO -0.22 0.39 -0.41 0.00 -2.06 0.00 0.00 179.45 177.16 3kyd h ARG 235 N 0.28 0.00 -6.41 3.15 3.08 -1.41 -3.46 114.38 109.61 3kyd h ARG 235 Ca 0.06 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.57 3kyd h ARG 235 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3kyd h ARG 235 CO 0.02 0.00 0.51 0.99 -1.07 0.00 0.00 179.97 180.42 3kyd s THR 236 N -3.26 4.43 0.42 2.04 2.01 -0.42 -5.01 115.64 115.85 3kyd s THR 236 Ca 0.04 1.74 -0.25 0.00 0.31 0.00 0.00 61.69 63.53 3kyd s THR 236 Cb 0.08 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 3kyd s THR 236 CO 0.71 0.10 1.25 0.28 -0.69 0.00 0.00 174.62 176.27 3kyd s THR 237 N 1.30 2.82 -1.33 -0.82 -1.32 -1.26 -4.91 115.64 110.12 3kyd s THR 237 Ca 0.55 0.70 0.13 0.00 -1.21 0.00 0.00 61.69 61.86 3kyd s THR 237 Cb -0.25 -3.39 0.20 0.00 -1.51 0.00 0.00 72.50 67.55 3kyd s THR 237 CO 0.27 0.07 1.35 -1.54 -2.21 0.00 0.00 174.62 172.56 3kyd n SER 238 N -0.02 0.00 0.22 8.08 3.41 -1.26 -2.29 113.62 121.75 3kyd n SER 238 Ca 0.05 0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 3kyd n SER 238 Cb 0.45 -0.34 0.47 0.00 -0.26 0.00 0.00 64.21 64.54 3kyd n SER 238 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kyd h ASP 239 N 0.00 0.00 -0.39 4.04 5.19 -1.97 -0.95 116.42 122.34 3kyd h ASP 239 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3kyd h ASP 239 Cb 0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 3kyd h ASP 239 CO 0.00 0.24 0.04 0.22 -3.12 0.00 0.00 179.24 176.62 3kyd h TYR 240 N 0.00 0.71 0.00 4.55 3.20 -1.85 -1.18 116.97 122.39 3kyd h TYR 240 Ca -0.00 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.67 3kyd h TYR 240 Cb 0.72 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3kyd h TYR 240 CO 0.00 0.72 -0.42 0.74 -1.64 0.00 0.00 178.16 177.55 3kyd h PHE 241 N 0.49 0.00 -0.54 -3.82 -1.00 -1.68 -2.56 116.94 107.83 3kyd h PHE 241 Ca 0.11 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.80 3kyd h PHE 241 Cb 0.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 3kyd h PHE 241 CO 0.03 0.42 -0.05 1.25 -1.61 0.00 0.00 178.31 178.35 3kyd h LEU 242 N 0.00 0.98 -0.67 1.54 5.85 -1.09 -2.43 115.31 119.48 3kyd h LEU 242 Ca -0.00 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3kyd h LEU 242 Cb 1.20 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3kyd h LEU 242 CO 0.05 1.07 0.43 0.25 -0.34 0.00 0.00 178.44 179.90 3kyd h LEU 243 N 0.86 0.72 -1.23 2.25 5.85 -0.99 -1.45 115.31 121.31 3kyd h LEU 243 Ca 0.15 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3kyd h LEU 243 Cb 0.60 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3kyd h LEU 243 CO 0.04 0.50 0.54 1.56 -0.34 0.00 0.00 178.44 180.74 3kyd h GLN 244 N 0.85 0.92 -0.14 1.25 1.08 -1.30 -1.03 115.11 116.74 3kyd h GLN 244 Ca 0.26 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3kyd h GLN 244 Cb -0.02 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.20 3kyd h GLN 244 CO -0.09 0.61 -0.12 0.28 -0.95 0.00 0.00 178.83 178.56 3kyd h VAL 245 N 0.95 1.34 0.00 -0.54 2.07 -0.90 -3.04 116.25 116.14 3kyd h VAL 245 Ca 0.35 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 3kyd h VAL 245 Cb 0.16 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3kyd h VAL 245 CO -0.12 0.37 -0.48 -0.07 0.02 0.00 0.00 177.57 177.29 3kyd h LEU 246 N -0.04 0.00 -0.54 2.57 3.38 -1.00 -2.43 115.31 117.25 3kyd h LEU 246 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3kyd h LEU 246 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3kyd h LEU 246 CO 0.03 0.48 -0.04 -0.07 0.09 0.00 0.00 178.44 178.93 3kyd h LEU 247 N 0.00 0.97 -0.55 1.67 3.38 -1.24 -1.02 115.31 118.52 3kyd h LEU 247 Ca -0.00 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3kyd h LEU 247 Cb 0.87 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3kyd h LEU 247 CO 0.06 1.06 0.08 0.50 0.09 0.00 0.00 178.44 180.24 3kyd h LYS 248 N 0.85 0.92 0.18 1.13 1.63 -1.39 -0.12 116.57 119.77 3kyd h LYS 248 Ca 0.15 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3kyd h LYS 248 Cb 0.59 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3kyd h LYS 248 CO 0.04 0.89 -0.22 0.35 -3.45 0.00 0.00 179.45 177.05 3kyd h PHE 249 N 0.80 -0.59 -0.95 1.91 3.57 -1.34 -1.40 116.94 118.94 3kyd h PHE 249 Ca 0.17 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3kyd h PHE 249 Cb 0.42 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3kyd h PHE 249 CO 0.03 -0.33 0.62 -0.09 -2.23 0.00 0.00 178.31 176.32 3kyd h ARG 250 N -0.45 1.26 -0.58 1.11 2.43 -0.99 0.38 114.38 117.54 3kyd h ARG 250 Ca 0.01 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3kyd h ARG 250 Cb 0.44 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3kyd h ARG 250 CO -0.08 0.84 0.02 1.79 -1.51 0.00 0.00 179.97 181.03 3kyd h THR 251 N 1.30 1.26 0.00 0.20 1.35 -0.91 -2.18 112.91 113.93 3kyd h THR 251 Ca 0.35 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.06 3kyd h THR 251 Cb -0.13 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 3kyd h THR 251 CO -0.07 0.40 -0.28 0.44 -0.25 0.00 0.00 175.52 175.75 3kyd h ASP 252 N 0.92 0.00 0.80 5.36 3.32 -0.84 -3.37 116.42 122.60 3kyd h ASP 252 Ca 0.17 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3kyd h ASP 252 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kyd h ASP 252 CO 0.02 1.08 -0.12 0.29 -1.72 0.00 0.00 179.24 178.80 3kyd n LYS 253 N -4.58 0.10 -0.54 3.56 4.76 0.13 -4.91 118.16 116.67 3kyd n LYS 253 Ca -0.14 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3kyd n LYS 253 Cb 0.50 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3kyd n LYS 253 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kyd n GLY 254 N 1.46 0.91 3.48 0.72 0.00 -0.82 -4.92 105.19 106.02 3kyd n GLY 254 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3kyd n GLY 254 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kyd s ARG 255 N -0.30 1.70 0.58 1.61 1.04 -1.25 -5.02 118.95 117.30 3kyd s ARG 255 Ca 0.00 -1.58 -0.07 0.00 -1.04 0.00 0.00 55.73 53.03 3kyd s ARG 255 Cb 0.00 0.43 -0.01 0.00 -2.04 0.00 0.00 34.95 33.33 3kyd s ARG 255 CO 0.00 -0.69 0.92 -0.51 -0.04 0.00 0.00 175.30 174.98 3kyd s ASP 256 N -3.16 5.85 0.32 -2.89 1.01 -1.26 -3.95 116.67 112.59 3kyd s ASP 256 Ca 0.29 0.94 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 3kyd s ASP 256 Cb 0.01 -2.00 -0.11 0.00 1.01 0.00 0.00 42.92 41.83 3kyd s ASP 256 CO 0.16 -0.95 1.48 -2.16 0.21 0.00 0.00 175.17 173.91 3kyd s PRO 257 N -5.01 4.19 0.08 8.23 0.04 -1.26 -5.01 135.00 136.25 3kyd s PRO 257 Ca 0.53 2.46 0.07 0.00 0.04 0.00 0.00 61.00 64.09 3kyd s PRO 257 Cb -0.11 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 3kyd s PRO 257 CO 0.47 -0.48 -0.18 0.45 0.04 0.00 0.00 177.00 177.31 3kyd s SER 258 N 0.08 2.15 0.56 6.66 0.15 -1.26 -2.91 113.70 119.12 3kyd s SER 258 Ca 0.56 -0.61 0.25 0.00 0.70 0.00 0.00 55.95 56.85 3kyd s SER 258 Cb -0.45 -0.12 1.57 0.00 -1.71 0.00 0.00 66.02 65.32 3kyd s SER 258 CO 0.53 0.03 2.16 0.28 1.20 0.00 0.00 173.24 177.44 3kyd h SER 259 N 4.38 0.00 -0.39 5.45 0.02 -1.95 -2.44 113.55 118.64 3kyd h SER 259 Ca -0.43 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.40 3kyd h SER 259 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3kyd h SER 259 CO 0.41 0.00 -0.22 0.44 -1.14 0.00 0.00 176.83 176.32 3kyd h ASP 260 N 0.00 0.86 -0.85 3.07 3.32 -2.01 -3.26 116.42 117.55 3kyd h ASP 260 Ca 0.05 -0.42 -0.59 0.00 0.02 0.00 0.00 57.03 56.09 3kyd h ASP 260 Cb 0.22 -0.24 -0.36 0.00 0.22 0.00 0.00 39.33 39.17 3kyd h ASP 260 CO -0.00 1.09 -0.06 0.35 -1.72 0.00 0.00 179.24 178.90 3kyd n THR 261 N -4.22 3.01 -0.15 0.35 -2.24 -0.95 -4.86 114.28 105.22 3kyd n THR 261 Ca -0.02 -3.60 -0.03 0.00 -2.27 0.00 0.00 64.05 58.12 3kyd n THR 261 Cb 0.44 -1.12 0.03 0.00 -2.10 0.00 0.00 70.33 67.59 3kyd n THR 261 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kyd h TYR 262 N 2.06 -0.34 -0.32 4.78 3.20 -1.52 -1.88 116.97 122.94 3kyd h TYR 262 Ca 0.47 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.30 3kyd h TYR 262 Cb 1.24 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 3kyd h TYR 262 CO 1.11 -0.24 -0.17 1.05 -1.64 0.00 0.00 178.16 178.27 3kyd h GLU 263 N -0.04 0.59 0.01 1.82 4.11 -1.90 0.94 114.58 120.11 3kyd h GLU 263 Ca 0.23 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 59.39 3kyd h GLU 263 Cb 0.39 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3kyd h GLU 263 CO -0.52 0.74 -0.31 0.93 0.07 0.00 0.00 179.01 179.92 3kyd h GLU 264 N 0.53 0.20 -0.90 1.06 3.07 -1.91 -2.99 114.58 113.65 3kyd h GLU 264 Ca 0.09 -0.22 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 3kyd h GLU 264 Cb 0.60 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.53 3kyd h GLU 264 CO 0.04 0.96 0.59 -0.44 -1.40 0.00 0.00 179.01 178.76 3kyd h ASP 265 N -0.47 1.00 -0.31 1.42 5.19 -1.30 -2.07 116.42 119.88 3kyd h ASP 265 Ca -0.04 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 3kyd h ASP 265 Cb 1.08 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 3kyd h ASP 265 CO 0.06 0.71 0.16 -1.28 -3.12 0.00 0.00 179.24 175.77 3kyd h SER 266 N 1.17 0.42 0.06 6.45 0.87 -0.87 -0.30 113.55 121.35 3kyd h SER 266 Ca 0.34 -0.03 -0.28 0.00 -1.23 0.00 0.00 61.79 60.59 3kyd h SER 266 Cb -0.07 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3kyd h SER 266 CO -0.09 0.37 -1.12 -0.08 -0.53 0.00 0.00 176.83 175.38 3kyd h GLU 267 N 0.48 0.67 -0.29 2.24 4.81 -1.28 -3.13 114.58 118.08 3kyd h GLU 267 Ca 0.12 -0.79 -0.12 0.00 -0.13 0.00 0.00 59.36 58.45 3kyd h GLU 267 Cb 0.07 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3kyd h GLU 267 CO -0.02 1.35 -0.31 1.25 -0.73 0.00 0.00 179.01 180.55 3kyd h LEU 268 N 0.35 0.64 -0.97 1.64 5.85 -1.07 -2.68 115.31 119.08 3kyd h LEU 268 Ca -0.15 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 3kyd h LEU 268 Cb 1.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 3kyd h LEU 268 CO 0.22 0.91 0.10 -0.07 -0.34 0.00 0.00 178.44 179.26 3kyd h LEU 269 N 0.53 0.80 -0.73 2.25 3.38 -1.13 0.12 115.31 120.53 3kyd h LEU 269 Ca 0.06 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3kyd h LEU 269 Cb 0.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3kyd h LEU 269 CO 0.07 0.80 -0.48 -0.07 0.09 0.00 0.00 178.44 178.85 3kyd h LEU 270 N 0.81 0.40 -0.38 1.67 3.38 -1.48 -0.15 115.31 119.56 3kyd h LEU 270 Ca 0.17 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3kyd h LEU 270 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kyd h LEU 270 CO 0.00 0.82 -0.28 1.56 0.09 0.00 0.00 178.44 180.63 3kyd h GLN 271 N 0.30 0.86 -0.18 1.13 1.08 -1.10 -3.04 115.11 114.16 3kyd h GLN 271 Ca 0.02 -0.42 -0.10 0.00 -1.45 0.00 0.00 58.65 56.69 3kyd h GLN 271 Cb 0.95 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3kyd h GLN 271 CO 0.08 1.06 -0.34 0.82 -0.95 0.00 0.00 178.83 179.50 3kyd h ILE 272 N 0.66 1.29 -0.85 2.54 2.04 -0.67 -2.33 117.51 120.18 3kyd h ILE 272 Ca 0.07 -1.40 0.06 0.00 1.00 0.00 0.00 64.86 64.59 3kyd h ILE 272 Cb 0.86 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 3kyd h ILE 272 CO 0.08 0.43 0.53 -0.09 0.00 0.00 0.00 178.15 179.09 3kyd h ARG 273 N 0.32 0.94 -0.09 2.37 2.43 -0.93 -0.32 114.38 119.10 3kyd h ARG 273 Ca 0.04 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3kyd h ARG 273 Cb 0.75 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3kyd h ARG 273 CO 0.06 0.62 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.64 3kyd h ASN 274 N 0.97 0.67 0.88 -3.80 2.35 -1.42 -2.77 115.58 112.46 3kyd h ASN 274 Ca 0.37 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3kyd h ASN 274 Cb 0.15 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3kyd h ASN 274 CO -0.17 1.23 0.00 0.44 -1.65 0.00 0.00 177.43 177.28 3kyd h ASP 275 N 0.16 0.00 0.01 5.81 5.19 -1.04 -2.09 116.42 124.45 3kyd h ASP 275 Ca -0.05 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 55.96 3kyd h ASP 275 Cb 1.24 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 3kyd h ASP 275 CO 0.12 0.00 -2.23 0.52 -3.12 0.00 0.00 179.24 174.53 3kyd n VAL 276 N -2.50 1.54 -0.14 -1.35 0.31 -0.16 -4.08 118.33 111.93 3kyd n VAL 276 Ca 0.02 -0.36 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 3kyd n VAL 276 Cb 0.27 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 3kyd n VAL 276 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kyd h LEU 277 N -0.78 0.94 -1.29 7.52 3.38 -1.53 -2.95 115.31 120.60 3kyd h LEU 277 Ca -0.59 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 56.90 3kyd h LEU 277 Cb 1.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3kyd h LEU 277 CO -0.30 1.14 -0.32 0.44 0.09 0.00 0.00 178.44 179.49 3kyd h ASP 278 N 0.75 0.00 -0.29 -0.43 5.19 -1.48 -2.66 116.42 117.49 3kyd h ASP 278 Ca 0.10 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 3kyd h ASP 278 Cb 0.79 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 3kyd h ASP 278 CO 0.06 0.32 0.12 -1.54 -3.12 0.00 0.00 179.24 175.09 3kyd n SER 279 N -3.80 3.01 0.00 6.45 3.41 -1.12 -3.39 113.62 118.18 3kyd n SER 279 Ca -0.01 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3kyd n SER 279 Cb 0.41 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3kyd n SER 279 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kyd n LEU 280 N 0.06 0.00 -0.84 1.04 4.77 -1.06 -5.02 117.00 115.96 3kyd n LEU 280 Ca 0.16 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3kyd n LEU 280 Cb 0.77 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.85 3kyd n LEU 280 CO 0.17 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.75 3kyd n GLY 281 N -0.00 0.28 3.15 -0.72 0.00 -1.22 -4.50 105.19 102.18 3kyd n GLY 281 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 3kyd n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyd s ILE 282 N -2.37 1.85 0.09 -0.61 1.01 -1.03 -4.99 121.20 115.16 3kyd s ILE 282 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 60.65 59.45 3kyd s ILE 282 Cb 0.00 -1.64 -0.12 0.00 0.01 0.00 0.00 42.46 40.71 3kyd s ILE 282 CO 0.00 0.51 1.77 -1.54 0.00 0.00 0.00 174.94 175.68 3kyd n SER 283 N 3.89 3.67 -0.24 3.58 3.41 -1.26 -3.86 113.62 122.81 3kyd n SER 283 Ca -0.20 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 3kyd n SER 283 Cb 0.52 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3kyd n SER 283 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3kyd n PRO 284 N 5.17 0.50 -0.19 4.33 -0.04 -1.26 -3.08 135.00 140.43 3kyd n PRO 284 Ca 0.19 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 3kyd n PRO 284 Cb 0.33 -1.12 0.27 0.00 -0.04 0.00 0.00 33.50 32.94 3kyd n PRO 284 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kyd n ASP 285 N -0.14 2.67 0.06 3.54 8.00 -1.26 -4.02 116.55 125.40 3kyd n ASP 285 Ca 0.00 -1.91 -0.08 0.00 0.71 0.00 0.00 54.79 53.51 3kyd n ASP 285 Cb 0.06 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.79 3kyd n ASP 285 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kyd h LEU 286 N 3.24 0.04 -8.52 0.64 3.38 -1.94 -3.41 115.31 108.75 3kyd h LEU 286 Ca 0.00 -0.05 -0.70 0.00 0.09 0.00 0.00 57.88 57.22 3kyd h LEU 286 Cb 0.72 -0.01 -0.22 0.00 0.09 0.00 0.00 40.66 41.24 3kyd h LEU 286 CO 0.00 1.04 -0.48 -0.76 0.09 0.00 0.00 178.44 178.33 3kyd s LEU 287 N -6.71 4.78 0.84 1.67 1.02 -1.26 -4.91 118.68 114.11 3kyd s LEU 287 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 54.13 53.26 3kyd s LEU 287 Cb 0.10 -2.10 0.10 0.00 0.02 0.00 0.00 46.19 44.30 3kyd s LEU 287 CO 0.83 -0.36 1.10 -2.84 0.02 0.00 0.00 176.35 175.10 3kyd s PRO 288 N 1.65 1.70 0.33 1.29 0.02 -1.26 -4.94 135.00 133.78 3kyd s PRO 288 Ca 0.04 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.29 3kyd s PRO 288 Cb -0.18 -1.83 0.58 0.00 0.02 0.00 0.00 34.50 33.08 3kyd s PRO 288 CO 0.09 -2.05 1.99 1.49 -0.33 0.00 0.00 177.00 178.19 3kyd h GLU 289 N -1.43 0.92 0.00 5.54 4.81 -1.97 -2.91 114.58 119.53 3kyd h GLU 289 Ca -0.45 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kyd h GLU 289 Cb 1.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3kyd h GLU 289 CO 0.49 0.61 0.00 -0.25 -0.73 0.00 0.00 179.01 179.13 3kyd n ASP 290 N -4.44 0.00 0.16 1.04 8.00 -1.26 -3.17 116.55 116.89 3kyd n ASP 290 Ca 0.08 -0.59 0.02 0.00 0.71 0.00 0.00 54.79 55.01 3kyd n ASP 290 Cb 0.06 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.41 3kyd n ASP 290 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3kyd h PHE 291 N 0.00 0.00 -0.97 1.24 -5.15 -1.89 -3.25 116.94 106.91 3kyd h PHE 291 Ca 0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 3kyd h PHE 291 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.12 3kyd h PHE 291 CO 0.00 0.49 0.64 -0.39 -2.00 0.00 0.00 178.31 177.06 3kyd h VAL 292 N 0.00 1.23 0.00 0.88 -1.51 -1.84 -2.97 116.25 112.04 3kyd h VAL 292 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3kyd h VAL 292 Cb 1.00 -0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 3kyd h VAL 292 CO 0.06 0.24 0.00 -2.11 -1.23 0.00 0.00 177.57 174.53 3kyd n ARG 293 N -4.40 0.97 0.00 5.19 1.85 -1.23 -3.38 116.66 115.66 3kyd n ARG 293 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 3kyd n ARG 293 Cb 0.04 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3kyd n ARG 293 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3kyd n TYR 294 N -0.70 0.00 -1.37 2.89 4.02 -1.12 -4.81 117.16 116.07 3kyd n TYR 294 Ca 0.09 -0.28 0.07 0.00 -0.01 0.00 0.00 57.90 57.77 3kyd n TYR 294 Cb 0.04 -0.03 0.10 0.00 -0.02 0.00 0.00 39.34 39.44 3kyd n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kyd s PHE 296 N -2.04 3.58 0.00 0.00 0.40 -1.26 -3.44 117.98 115.21 3kyd s PHE 296 Ca 0.23 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 3kyd s PHE 296 Cb 0.21 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.84 3kyd s PHE 296 CO 0.01 0.70 0.00 -1.13 0.70 0.00 0.00 175.22 175.50 3kyd n SER 297 N 1.52 -2.25 -3.89 1.36 3.41 -1.15 -3.02 113.62 109.60 3kyd n SER 297 Ca -0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.15 3kyd n SER 297 Cb 0.54 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 3kyd n SER 297 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kyd s GLU 298 N 0.00 1.32 -0.04 4.33 -1.05 -1.26 -0.39 118.70 121.61 3kyd s GLU 298 Ca 0.00 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.37 3kyd s GLU 298 Cb 0.00 -2.54 -0.05 0.00 -0.44 0.00 0.00 34.13 31.10 3kyd s GLU 298 CO 0.00 -0.76 1.51 1.41 0.95 0.00 0.00 175.26 178.38 3kyd s MET 299 N 1.38 4.22 0.18 -4.83 1.75 -1.25 -4.94 119.30 115.81 3kyd s MET 299 Ca 0.01 2.05 -0.14 0.00 -1.25 0.00 0.00 55.69 56.37 3kyd s MET 299 Cb -0.18 -3.79 0.17 0.00 2.84 0.00 0.00 34.83 33.87 3kyd s MET 299 CO -0.11 -0.73 1.71 0.00 -0.65 0.00 0.00 175.02 175.24 3kyd h ALA 300 N 8.69 0.50 -0.78 4.11 0.00 -1.97 -1.35 119.26 128.46 3kyd h ALA 300 Ca -0.37 0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kyd h ALA 300 Cb 1.17 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3kyd h ALA 300 CO 0.94 -0.33 0.51 -1.35 0.00 0.00 0.00 179.25 179.02 3kyd h PRO 301 N 0.19 0.57 -0.33 0.00 0.11 -1.98 -1.69 132.00 128.88 3kyd h PRO 301 Ca 0.23 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 3kyd h PRO 301 Cb 0.32 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3kyd h PRO 301 CO -0.33 0.38 -0.42 0.28 -0.21 0.00 0.00 178.00 177.70 3kyd h VAL 302 N 0.59 1.28 -0.69 3.15 2.07 -1.59 -1.84 116.25 119.22 3kyd h VAL 302 Ca 0.37 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3kyd h VAL 302 Cb 0.63 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3kyd h VAL 302 CO -0.14 0.53 0.43 0.00 0.02 0.00 0.00 177.57 178.40 3kyd h ALA 304 N 1.23 -0.06 0.42 0.00 0.00 -1.04 0.35 119.26 120.16 3kyd h ALA 304 Ca 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kyd h ALA 304 Cb -0.06 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kyd h ALA 304 CO -0.05 -0.60 -0.20 0.28 0.00 0.00 0.00 179.25 178.68 3kyd h VAL 305 N -0.18 0.51 -0.19 0.00 2.07 -1.10 -1.46 116.25 115.90 3kyd h VAL 305 Ca 0.09 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3kyd h VAL 305 Cb 0.31 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kyd h VAL 305 CO -0.24 0.07 -0.32 0.58 0.02 0.00 0.00 177.57 177.69 3kyd h VAL 306 N -0.86 1.28 0.00 2.57 2.07 -1.00 -1.91 116.25 118.40 3kyd h VAL 306 Ca -0.06 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 3kyd h VAL 306 Cb 0.56 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3kyd h VAL 306 CO 0.10 0.42 -0.54 1.23 0.02 0.00 0.00 177.57 178.80 3kyd h GLY 307 N 1.07 0.00 1.00 2.17 0.00 -0.33 -1.41 103.07 105.56 3kyd h GLY 307 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.21 3kyd h GLY 307 CO 0.06 0.00 -0.54 -1.33 0.00 0.00 0.00 176.54 174.72 3kyd h GLY 308 N 1.63 0.73 0.52 4.60 0.00 -0.70 -2.27 103.07 107.57 3kyd h GLY 308 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.37 3kyd h GLY 308 CO 0.07 0.85 -0.00 -2.22 0.00 0.00 0.00 176.54 175.24 3kyd h ILE 309 N 0.34 1.39 -0.27 2.60 1.08 -1.36 -2.94 117.51 118.35 3kyd h ILE 309 Ca -0.02 -1.15 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 3kyd h ILE 309 Cb 1.17 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 37.06 3kyd h ILE 309 CO 0.12 0.30 0.13 0.25 -0.69 0.00 0.00 178.15 178.26 3kyd h LEU 310 N -0.47 0.19 -0.62 1.44 5.85 -1.36 -1.47 115.31 118.87 3kyd h LEU 310 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3kyd h LEU 310 Cb 0.49 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3kyd h LEU 310 CO 0.00 0.15 0.35 0.00 -0.34 0.00 0.00 178.44 178.59 3kyd h ALA 311 N 1.14 0.82 -0.24 1.25 0.00 -1.51 -0.89 119.26 119.83 3kyd h ALA 311 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kyd h ALA 311 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kyd h ALA 311 CO -0.08 0.03 -0.15 0.37 0.00 0.00 0.00 179.25 179.42 3kyd h GLN 312 N 0.65 0.40 -0.47 0.00 5.75 -1.29 -0.63 115.11 119.53 3kyd h GLN 312 Ca 0.27 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.54 3kyd h GLN 312 Cb 0.14 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3kyd h GLN 312 CO -0.16 0.55 -0.18 0.93 -2.65 0.00 0.00 178.83 177.32 3kyd h GLU 313 N 0.37 0.95 -0.35 1.69 4.39 -0.51 0.44 114.58 121.55 3kyd h GLU 313 Ca 0.07 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.39 3kyd h GLU 313 Cb 0.48 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3kyd h GLU 313 CO 0.03 1.06 0.21 0.82 -1.16 0.00 0.00 179.01 179.97 3kyd h ILE 314 N 0.80 1.04 0.02 3.13 2.04 -0.66 -0.93 117.51 122.95 3kyd h ILE 314 Ca 0.11 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3kyd h ILE 314 Cb 0.75 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3kyd h ILE 314 CO 0.06 0.08 -0.09 0.58 0.00 0.00 0.00 178.15 178.77 3kyd h VAL 315 N 0.42 0.77 -0.39 1.67 2.07 -0.90 -1.31 116.25 118.58 3kyd h VAL 315 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3kyd h VAL 315 Cb 0.00 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3kyd h VAL 315 CO -0.07 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.64 3kyd h LYS 316 N -0.17 0.10 -0.15 1.57 1.57 -0.74 0.12 116.57 118.87 3kyd h LYS 316 Ca 0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3kyd h LYS 316 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3kyd h LYS 316 CO -0.08 0.07 0.02 0.00 -0.57 0.00 0.00 179.45 178.90 3kyd h ALA 317 N 1.34 0.15 -0.31 3.86 0.00 -0.95 0.34 119.26 123.69 3kyd h ALA 317 Ca 0.19 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3kyd h ALA 317 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kyd h ALA 317 CO -0.32 -0.42 -0.38 -0.07 0.00 0.00 0.00 179.25 178.06 3kyd h LEU 318 N 0.08 0.77 -0.26 0.00 3.38 -0.86 -2.94 115.31 115.48 3kyd h LEU 318 Ca 0.07 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 3kyd h LEU 318 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kyd h LEU 318 CO -0.09 1.06 -0.69 0.77 0.09 0.00 0.00 178.44 179.58 3kyd h SER 319 N 0.60 0.00 -5.83 -0.43 4.64 -0.67 -3.37 113.55 108.48 3kyd h SER 319 Ca 0.05 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.98 3kyd h SER 319 Cb 0.92 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.15 3kyd h SER 319 CO 0.08 0.69 -0.70 0.00 -0.87 0.00 0.00 176.83 176.03 3kyd n GLN 320 N -3.40 -7.60 -0.06 4.77 6.02 0.12 -4.51 117.38 112.71 3kyd n GLN 320 Ca 0.00 0.82 -0.08 0.00 -0.01 0.00 0.00 57.00 57.74 3kyd n GLN 320 Cb 0.76 -5.86 -0.08 0.00 1.02 0.00 0.00 30.24 26.08 3kyd n GLN 320 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3kyd n ARG 321 N -4.82 1.22 -4.31 -1.09 0.63 -1.19 -1.88 116.66 105.22 3kyd n ARG 321 Ca -0.05 0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 56.72 3kyd n ARG 321 Cb 0.58 -1.29 -0.11 0.00 0.45 0.00 0.00 32.46 32.10 3kyd n ARG 321 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kyd s ASP 322 N -4.92 2.43 -0.24 6.15 1.01 -1.26 -3.10 116.67 116.74 3kyd s ASP 322 Ca -0.13 -0.89 -0.29 0.00 0.71 0.00 0.00 52.55 51.95 3kyd s ASP 322 Cb 0.04 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 3kyd s ASP 322 CO 0.39 -0.11 1.83 -2.16 0.21 0.00 0.00 175.17 175.33 3kyd s PRO 323 N -3.01 3.52 0.35 8.23 0.04 -1.26 -4.79 135.00 138.08 3kyd s PRO 323 Ca 0.15 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 3kyd s PRO 323 Cb -0.04 -4.17 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 3kyd s PRO 323 CO 0.05 -1.64 1.10 -2.14 0.04 0.00 0.00 177.00 174.42 3kyd s PRO 324 N 5.36 4.34 -0.08 0.56 0.02 -1.26 -4.92 135.00 139.01 3kyd s PRO 324 Ca 0.82 1.72 -0.34 0.00 0.02 0.00 0.00 61.00 63.22 3kyd s PRO 324 Cb -0.27 -2.85 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 3kyd s PRO 324 CO 0.33 -0.04 1.89 0.72 -0.33 0.00 0.00 177.00 179.57 3kyd n HIS 325 N 0.50 2.34 -2.26 6.54 8.25 -1.26 -4.82 115.22 124.52 3kyd n HIS 325 Ca 0.02 -0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3kyd n HIS 325 Cb 0.47 -2.67 -0.04 0.00 1.12 0.00 0.00 29.99 28.86 3kyd n HIS 325 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3kyd s ASN 326 N 4.10 5.69 0.00 0.41 3.84 -1.26 -4.63 114.94 123.09 3kyd s ASN 326 Ca 0.93 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 53.06 3kyd s ASN 326 Cb -0.68 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.46 3kyd s ASN 326 CO 0.51 -2.24 0.00 -3.20 -2.79 0.00 0.00 177.10 169.38 3kyd n ASN 327 N 11.88 0.00 -4.49 -4.21 5.15 -1.26 -3.87 115.26 118.45 3kyd n ASN 327 Ca 0.36 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.03 3kyd n ASN 327 Cb 0.49 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.62 3kyd n ASN 327 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3kyd s PHE 328 N 0.00 2.65 -0.14 1.20 0.40 -0.05 -1.83 117.98 120.21 3kyd s PHE 328 Ca 0.00 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3kyd s PHE 328 Cb 0.00 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 42.05 3kyd s PHE 328 CO 0.00 0.28 -0.16 0.12 0.70 0.00 0.00 175.22 176.16 3kyd s PHE 329 N -0.95 2.22 -0.14 0.36 5.36 0.15 -1.68 117.98 123.31 3kyd s PHE 329 Ca 0.15 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 3kyd s PHE 329 Cb -0.11 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 3kyd s PHE 329 CO 0.06 -0.61 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.00 3kyd s PHE 330 N 1.23 2.78 -0.13 10.12 0.40 0.10 -1.00 117.98 131.48 3kyd s PHE 330 Ca -0.00 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.50 3kyd s PHE 330 Cb -0.14 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.54 3kyd s PHE 330 CO -0.07 -0.35 -0.21 0.12 0.70 0.00 0.00 175.22 175.41 3kyd s PHE 331 N 0.57 2.54 -0.32 0.36 5.36 0.75 -0.69 117.98 126.56 3kyd s PHE 331 Ca -0.09 -1.25 -0.02 0.00 -0.96 0.00 0.00 56.93 54.61 3kyd s PHE 331 Cb -0.16 -1.74 0.06 0.00 -0.34 0.00 0.00 43.02 40.84 3kyd s PHE 331 CO 0.03 -0.58 0.03 0.34 -1.46 0.00 0.00 175.22 173.59 3kyd s ASP 332 N 0.81 4.95 0.00 6.13 2.15 -0.74 -1.33 116.67 128.64 3kyd s ASP 332 Ca -0.08 -1.40 0.26 0.00 0.43 0.00 0.00 52.55 51.76 3kyd s ASP 332 Cb -0.16 -1.73 1.45 0.00 -0.30 0.00 0.00 42.92 42.18 3kyd s ASP 332 CO -0.01 -0.31 1.89 0.61 -0.17 0.00 0.00 175.17 177.19 3kyd n GLY 333 N 4.61 -0.95 0.09 2.66 0.00 0.90 -0.27 105.19 112.23 3kyd n GLY 333 Ca -0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 3kyd n GLY 333 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kyd n MET 334 N -1.12 0.63 -0.00 1.61 0.00 -1.26 -4.44 117.12 112.53 3kyd n MET 334 Ca 0.17 0.23 0.05 0.00 0.00 0.00 0.00 57.70 58.15 3kyd n MET 334 Cb 0.14 -1.77 -0.08 0.00 0.00 0.00 0.00 33.22 31.51 3kyd n MET 334 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kyd n LYS 335 N -2.94 0.98 -1.53 2.12 5.02 -1.00 -5.02 118.16 115.80 3kyd n LYS 335 Ca -0.15 -0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.04 3kyd n LYS 335 Cb 0.97 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 34.77 3kyd n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kyd n GLY 336 N 1.77 0.42 3.75 0.72 0.00 0.63 -5.04 105.19 107.43 3kyd n GLY 336 Ca -0.01 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 3kyd n GLY 336 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kyd s ASN 337 N -2.94 6.90 -0.30 1.61 0.01 -1.13 -4.96 114.94 114.12 3kyd s ASN 337 Ca 0.00 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 3kyd s ASN 337 Cb 0.00 -2.35 0.09 0.00 0.41 0.00 0.00 41.25 39.40 3kyd s ASN 337 CO 0.00 0.06 0.05 -0.83 -1.51 0.00 0.00 177.10 174.87 3kyd s GLY 338 N 0.10 1.40 -0.11 0.66 0.00 -1.26 -1.80 107.32 106.32 3kyd s GLY 338 Ca 0.30 -1.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 3kyd s GLY 338 CO 0.16 1.26 -0.04 -0.42 0.00 0.00 0.00 173.10 174.06 3kyd s ILE 339 N 1.34 3.93 -0.31 0.90 -1.09 0.14 -4.93 121.20 121.18 3kyd s ILE 339 Ca 0.07 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 3kyd s ILE 339 Cb -0.18 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 3kyd s ILE 339 CO -0.16 0.55 0.09 -0.69 -1.23 0.00 0.00 174.94 173.50 3kyd s VAL 340 N -0.30 3.90 0.03 2.92 1.01 -1.26 0.01 120.40 126.72 3kyd s VAL 340 Ca 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3kyd s VAL 340 Cb -0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3kyd s VAL 340 CO 0.02 0.01 -0.06 -1.61 0.00 0.00 0.00 175.10 173.46 3kyd s GLU 341 N 1.47 2.50 -0.36 2.72 0.41 -0.67 -4.96 118.70 119.81 3kyd s GLU 341 Ca 0.01 -0.78 -0.02 0.00 -0.41 0.00 0.00 54.97 53.77 3kyd s GLU 341 Cb -0.18 -2.49 0.08 0.00 -1.78 0.00 0.00 34.13 29.77 3kyd s GLU 341 CO 0.02 0.58 0.10 0.00 -0.49 0.00 0.00 175.26 175.47 3kyd s LEU 343 N 1.17 2.14 0.00 0.00 1.02 -1.26 -4.86 118.68 116.89 3kyd s LEU 343 Ca 0.03 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.67 3kyd s LEU 343 Cb -0.21 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 44.96 3kyd s LEU 343 CO -0.03 0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.14 3kyd n GLY 344 N 1.98 2.90 0.00 -3.19 0.00 -1.26 -4.36 105.19 101.26 3kyd n GLY 344 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kyd n GLY 344 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27