#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f n ALA 2 N 0.00 1.85 -3.75 -5.12 0.00 -1.26 -4.82 120.51 107.41 2k3f n ALA 2 Ca 0.00 -3.02 -0.28 0.00 0.00 0.00 0.00 53.44 50.14 2k3f n ALA 2 Cb 0.00 -3.48 -0.16 0.00 0.00 0.00 0.00 19.45 15.81 2k3f n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3f s LYS 3 N 6.44 0.74 -1.21 0.00 1.02 -1.26 -5.05 119.74 120.44 2k3f s LYS 3 Ca 0.68 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.92 2k3f s LYS 3 Cb -0.00 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2k3f s LYS 3 CO 0.14 -0.69 1.94 0.36 -0.92 0.00 0.00 175.35 176.18 2k3f n LYS 4 N 4.99 2.40 -2.69 1.68 0.00 -1.26 -4.94 118.16 118.34 2k3f n LYS 4 Ca -0.08 -2.63 -0.41 0.00 -0.00 0.00 0.00 58.31 55.18 2k3f n LYS 4 Cb 0.46 -3.38 -0.04 0.00 -0.00 0.00 0.00 35.03 32.07 2k3f n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2k3f s VAL 5 N 5.71 4.53 -0.22 0.58 1.01 -1.26 0.12 120.40 130.86 2k3f s VAL 5 Ca 0.56 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.60 2k3f s VAL 5 Cb 0.08 -4.28 -0.20 0.00 0.00 0.00 0.00 36.38 31.97 2k3f s VAL 5 CO 0.06 0.27 -0.06 0.00 0.00 0.00 0.00 175.10 175.36 2k3f n ALA 6 N 3.09 1.39 -3.11 5.51 0.00 0.25 -4.49 120.51 123.16 2k3f n ALA 6 Ca 0.04 -1.08 0.01 0.00 0.00 0.00 0.00 53.44 52.40 2k3f n ALA 6 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f n ALA 7 N -3.10 -0.30 -3.44 0.00 0.00 -0.18 -4.97 120.51 108.52 2k3f n ALA 7 Ca -0.41 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2k3f n ALA 7 Cb 1.03 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 20.43 2k3f n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k3f s GLN 8 N -2.01 0.28 -0.69 0.00 -0.21 -1.26 -1.84 119.66 113.92 2k3f s GLN 8 Ca 0.03 0.02 0.05 0.00 0.02 0.00 0.00 55.36 55.48 2k3f s GLN 8 Cb -0.00 -0.40 0.17 0.00 1.00 0.00 0.00 33.01 33.77 2k3f s GLN 8 CO 0.01 -0.08 0.48 0.42 -2.12 0.00 0.00 175.29 174.01 2k3f s ILE 9 N 0.69 2.90 -0.18 1.08 -1.09 0.21 -4.92 121.20 119.88 2k3f s ILE 9 Ca -0.07 -4.22 -0.28 0.00 -2.23 0.00 0.00 60.65 53.86 2k3f s ILE 9 Cb -0.10 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2k3f s ILE 9 CO -0.01 -0.99 0.95 -0.75 -1.23 0.00 0.00 174.94 172.90 2k3f s LYS 10 N -1.38 4.30 -0.24 2.79 2.20 -1.26 -1.13 119.74 125.02 2k3f s LYS 10 Ca 0.24 1.22 -0.14 0.00 -0.36 0.00 0.00 55.97 56.94 2k3f s LYS 10 Cb -0.06 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2k3f s LYS 10 CO -0.15 -0.45 0.59 -0.48 -0.36 0.00 0.00 175.35 174.49 2k3f s LEU 11 N 2.56 -0.62 -0.21 5.43 0.05 -0.09 -4.96 118.68 120.83 2k3f s LEU 11 Ca 0.42 1.28 -0.27 0.00 0.05 0.00 0.00 54.13 55.62 2k3f s LEU 11 Cb -0.16 2.00 0.00 0.00 -2.05 0.00 0.00 46.19 45.98 2k3f s LEU 11 CO 0.11 -0.22 0.95 -1.10 -0.55 0.00 0.00 176.35 175.54 2k3f s GLN 12 N 1.51 4.26 -0.01 1.48 -0.21 -1.26 -2.16 119.66 123.27 2k3f s GLN 12 Ca -0.10 1.20 0.00 0.00 0.02 0.00 0.00 55.36 56.49 2k3f s GLN 12 Cb -0.06 -3.62 0.01 0.00 1.00 0.00 0.00 33.01 30.34 2k3f s GLN 12 CO -0.17 -0.53 -0.00 -0.51 -2.12 0.00 0.00 175.29 171.96 2k3f s LEU 13 N 2.86 1.60 -0.01 2.90 1.43 0.36 -4.85 118.68 122.97 2k3f s LEU 13 Ca 0.41 -0.02 -0.34 0.00 -1.03 0.00 0.00 54.13 53.15 2k3f s LEU 13 Cb -0.16 -0.13 -0.13 0.00 0.03 0.00 0.00 46.19 45.81 2k3f s LEU 13 CO 0.08 -0.04 1.77 -2.65 0.23 0.00 0.00 176.35 175.74 2k3f n PRO 14 N 3.55 2.14 -1.82 1.29 -0.02 -1.21 0.89 135.00 139.81 2k3f n PRO 14 Ca -0.19 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2k3f n PRO 14 Cb 0.55 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2k3f n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f s ALA 15 N 2.95 3.76 0.00 3.55 0.00 0.40 -0.16 121.76 132.25 2k3f s ALA 15 Ca 0.88 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2k3f s ALA 15 Cb -0.70 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2k3f s ALA 15 CO 0.47 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2k3f n GLY 16 N 4.05 1.18 2.60 0.00 0.00 -1.25 -0.50 105.19 111.27 2k3f n GLY 16 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2k3f n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k3f s LYS 17 N -0.05 0.38 -0.29 1.61 2.36 0.77 -4.99 119.74 119.54 2k3f s LYS 17 Ca 0.00 -0.71 -0.23 0.00 -2.55 0.00 0.00 55.97 52.48 2k3f s LYS 17 Cb 0.00 -1.02 0.14 0.00 -1.05 0.00 0.00 37.83 35.90 2k3f s LYS 17 CO 0.00 -1.10 1.07 0.00 1.55 0.00 0.00 175.35 176.87 2k3f s ALA 18 N 1.78 -2.08 0.00 3.13 0.00 -1.26 -3.35 121.76 119.99 2k3f s ALA 18 Ca 0.13 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2k3f s ALA 18 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2k3f s ALA 18 CO -0.21 -0.25 0.00 -2.37 0.00 0.00 0.00 175.76 172.93 2k3f n THR 19 N 2.51 0.00 -3.91 0.00 5.66 -1.26 -4.70 114.28 112.59 2k3f n THR 19 Ca -0.14 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.51 2k3f n THR 19 Cb 0.56 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.27 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -1.89 3.75 0.00 1.09 0.04 -1.26 -4.52 135.00 132.21 2k3f s PRO 20 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2k3f s PRO 20 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2k3f s PRO 20 CO 0.00 0.51 0.00 0.00 0.04 0.00 0.00 177.00 177.55 2k3f n ALA 21 N 2.82 0.00 0.16 8.56 0.00 -1.26 -2.84 120.51 127.95 2k3f n ALA 21 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2k3f n ALA 21 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2k3f n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3f h PRO 22 N 0.00 -0.58 0.03 0.00 0.11 -1.96 -1.95 132.00 127.65 2k3f h PRO 22 Ca 0.00 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 2k3f h PRO 22 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2k3f h PRO 22 CO 0.00 -0.39 -0.01 -1.00 -0.21 0.00 0.00 178.00 176.39 2k3f h PRO 23 N -0.60 -0.04 0.11 1.05 0.13 -1.95 -3.41 132.00 127.29 2k3f h PRO 23 Ca -0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.89 2k3f h PRO 23 Cb 0.54 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2k3f h PRO 23 CO -0.08 0.65 -1.06 0.28 -0.23 0.00 0.00 178.00 177.55 2k3f h VAL 24 N -0.91 1.27 -0.65 1.56 2.07 -1.66 -3.25 116.25 114.69 2k3f h VAL 24 Ca -0.00 -2.44 0.12 0.00 0.82 0.00 0.00 66.70 65.20 2k3f h VAL 24 Cb 0.70 2.92 -0.12 0.00 -1.52 0.00 0.00 31.29 33.28 2k3f h VAL 24 CO 0.01 0.68 -0.31 1.23 0.02 0.00 0.00 177.57 179.19 2k3f h GLY 25 N -0.26 0.02 0.70 2.17 0.00 -1.37 -1.54 103.07 102.79 2k3f h GLY 25 Ca -0.22 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2k3f h GLY 25 CO 0.07 -0.22 -0.00 -2.55 0.00 0.00 0.00 176.54 173.84 2k3f h PRO 26 N -0.12 0.08 0.00 4.80 0.11 -1.69 0.13 132.00 135.30 2k3f h PRO 26 Ca 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2k3f h PRO 26 Cb 0.55 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2k3f h PRO 26 CO -0.72 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 177.46 2k3f n ALA 27 N -2.28 -0.12 -0.05 -0.75 0.00 -0.89 -1.63 120.51 114.80 2k3f n ALA 27 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2k3f n ALA 27 Cb 0.19 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2k3f n ALA 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k3f h LEU 28 N 0.00 0.50 -0.83 0.00 3.38 -1.46 -3.34 115.31 113.57 2k3f h LEU 28 Ca 0.00 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k3f h LEU 28 Cb 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2k3f h LEU 28 CO 0.00 0.95 0.51 1.23 0.09 0.00 0.00 178.44 181.22 2k3f h GLY 29 N 0.06 1.19 2.00 0.83 0.00 -0.80 -0.08 103.07 106.27 2k3f h GLY 29 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2k3f h GLY 29 CO 0.06 0.47 -0.05 -1.61 0.00 0.00 0.00 176.54 175.41 2k3f h GLN 30 N 1.13 0.00 -0.63 4.80 4.15 -1.31 0.78 115.11 124.03 2k3f h GLN 30 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.72 2k3f h GLN 30 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2k3f h GLN 30 CO -0.06 0.05 0.00 0.72 -1.93 0.00 0.00 178.83 177.61 2k3f n HIS 31 N -3.97 1.73 -1.02 3.99 8.25 -0.17 -4.89 115.22 119.14 2k3f n HIS 31 Ca -0.03 -0.64 -0.01 0.00 -0.26 0.00 0.00 57.72 56.79 2k3f n HIS 31 Cb 0.14 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.88 2k3f n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3f n GLY 32 N 0.87 0.46 3.83 -1.41 0.00 0.27 -4.94 105.19 104.27 2k3f n GLY 32 Ca 0.26 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2k3f n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k3f s VAL 33 N -1.90 4.53 -0.74 1.61 1.01 -0.49 -4.95 120.40 119.47 2k3f s VAL 33 Ca 0.00 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 2k3f s VAL 33 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2k3f s VAL 33 CO 0.00 -0.08 1.89 0.20 0.00 0.00 0.00 175.10 177.11 2k3f s ASN 34 N -2.03 5.23 0.27 3.32 -0.87 -1.26 -4.19 114.94 115.42 2k3f s ASN 34 Ca 0.53 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.69 2k3f s ASN 34 Cb -0.12 -2.54 0.60 0.00 -0.02 0.00 0.00 41.25 39.17 2k3f s ASN 34 CO 0.18 -2.53 1.72 0.40 -2.57 0.00 0.00 177.10 174.30 2k3f h ILE 35 N 7.05 0.57 -0.03 0.60 1.08 -1.93 -0.98 117.51 123.86 2k3f h ILE 35 Ca -0.10 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2k3f h ILE 35 Cb 1.09 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2k3f h ILE 35 CO 1.22 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 178.76 2k3f h MET 36 N 0.45 0.05 -0.34 2.37 -0.00 -1.88 0.48 114.93 116.06 2k3f h MET 36 Ca 0.50 -0.02 0.02 0.00 -0.00 0.00 0.00 59.70 60.20 2k3f h MET 36 Cb 0.85 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.42 2k3f h MET 36 CO -0.46 0.34 0.23 0.93 -0.00 0.00 0.00 176.91 177.94 2k3f h GLU 37 N -0.24 0.39 0.81 -0.10 5.08 -1.85 0.42 114.58 119.09 2k3f h GLU 37 Ca 0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2k3f h GLU 37 Cb 0.31 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k3f h GLU 37 CO 0.00 0.26 -0.39 0.35 -1.00 0.00 0.00 179.01 178.23 2k3f h PHE 38 N 0.40 -1.01 -0.12 4.33 3.57 -0.72 -2.77 116.94 120.63 2k3f h PHE 38 Ca 0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k3f h PHE 38 Cb 0.05 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2k3f h PHE 38 CO -0.00 -0.62 0.08 0.00 -2.23 0.00 0.00 178.31 175.53 2k3f h LYS 40 N 0.15 0.00 0.07 0.00 3.64 -0.32 0.65 116.57 120.77 2k3f h LYS 40 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2k3f h LYS 40 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2k3f h LYS 40 CO -0.01 0.02 -0.03 0.00 -2.27 0.00 0.00 179.45 177.16 2k3f h ARG 41 N 0.00 -0.09 -0.57 1.90 3.08 -0.78 -3.14 114.38 114.78 2k3f h ARG 41 Ca -0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2k3f h ARG 41 Cb 0.28 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2k3f h ARG 41 CO 0.00 -0.06 0.26 0.35 -1.07 0.00 0.00 179.97 179.46 2k3f h PHE 42 N -0.60 0.47 -0.02 3.04 3.04 0.33 0.13 116.94 123.34 2k3f h PHE 42 Ca -0.01 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.97 2k3f h PHE 42 Cb 0.07 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 2k3f h PHE 42 CO 0.01 0.20 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.56 2k3f h ASN 43 N 0.49 -0.09 -0.47 0.41 -0.26 -1.07 0.38 115.58 114.97 2k3f h ASN 43 Ca 0.27 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 2k3f h ASN 43 Cb 0.23 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 2k3f h ASN 43 CO -0.22 -0.04 0.25 0.00 -1.06 0.00 0.00 177.43 176.36 2k3f h ALA 44 N 0.97 0.61 -0.03 -0.83 0.00 -1.19 -1.08 119.26 117.71 2k3f h ALA 44 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2k3f h ALA 44 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k3f h ALA 44 CO -0.04 0.15 -0.72 1.05 0.00 0.00 0.00 179.25 179.69 2k3f h GLU 45 N 0.62 0.16 -0.06 0.00 4.11 -0.47 -3.01 114.58 115.93 2k3f h GLU 45 Ca 0.16 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2k3f h GLU 45 Cb 0.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k3f h GLU 45 CO -0.02 0.81 0.00 0.25 0.07 0.00 0.00 179.01 180.11 2k3f n THR 46 N -3.76 0.07 -0.34 -1.06 -2.24 0.13 -4.12 114.28 102.96 2k3f n THR 46 Ca -0.02 -0.24 0.24 0.00 -2.27 0.00 0.00 64.05 61.76 2k3f n THR 46 Cb 0.69 0.30 0.51 0.00 -2.10 0.00 0.00 70.33 69.73 2k3f n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3f h ALA 47 N 4.17 2.21 -0.01 6.98 0.00 -1.05 0.78 119.26 132.34 2k3f h ALA 47 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2k3f h ALA 47 Cb 0.41 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k3f h ALA 47 CO 0.00 -0.68 -0.46 0.22 0.00 0.00 0.00 179.25 178.33 2k3f h ASP 48 N 0.37 0.43 -0.91 0.00 3.58 -1.82 -3.23 116.42 114.84 2k3f h ASP 48 Ca 0.65 -0.75 -0.44 0.00 0.42 0.00 0.00 57.03 56.91 2k3f h ASP 48 Cb 1.63 -0.13 -0.27 0.00 1.72 0.00 0.00 39.33 42.28 2k3f h ASP 48 CO -0.37 1.12 0.54 0.29 -2.88 0.00 0.00 179.24 177.94 2k3f n LYS 49 N -4.33 2.45 -0.95 0.28 5.02 -0.58 -4.98 118.16 115.07 2k3f n LYS 49 Ca -0.10 -3.04 -0.33 0.00 -2.02 0.00 0.00 58.31 52.82 2k3f n LYS 49 Cb 0.60 -2.16 0.13 0.00 -0.02 0.00 0.00 35.03 33.58 2k3f n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3f n ALA 50 N -1.00 -1.09 -0.60 7.82 0.00 0.17 -3.95 120.51 121.86 2k3f n ALA 50 Ca 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2k3f n ALA 50 Cb 1.58 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2k3f n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3f n GLY 51 N 0.89 0.70 2.76 0.00 0.00 0.34 -4.92 105.19 104.97 2k3f n GLY 51 Ca 0.11 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2k3f n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k3f s MET 52 N -1.24 0.35 -0.80 1.61 1.00 -1.24 -4.90 119.30 114.07 2k3f s MET 52 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 55.69 55.60 2k3f s MET 52 Cb 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 34.83 34.03 2k3f s MET 52 CO 0.00 -0.25 2.21 0.42 0.00 0.00 0.00 175.02 177.40 2k3f s ILE 53 N 1.71 3.19 -0.06 2.53 -1.09 -1.26 0.15 121.20 126.37 2k3f s ILE 53 Ca 0.00 -0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 57.99 2k3f s ILE 53 Cb -0.13 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2k3f s ILE 53 CO -0.03 -0.40 1.03 -0.76 -1.23 0.00 0.00 174.94 173.55 2k3f s LEU 54 N 12.65 4.30 -0.64 2.97 1.43 0.26 -4.71 118.68 134.94 2k3f s LEU 54 Ca 0.83 1.63 -0.26 0.00 -1.03 0.00 0.00 54.13 55.30 2k3f s LEU 54 Cb -0.11 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2k3f s LEU 54 CO 0.06 -0.40 1.81 -2.84 0.23 0.00 0.00 176.35 175.21 2k3f s PRO 55 N 1.66 2.68 0.09 1.29 0.02 -1.26 -0.49 135.00 139.00 2k3f s PRO 55 Ca 0.51 0.49 -0.04 0.00 0.02 0.00 0.00 61.00 61.98 2k3f s PRO 55 Cb -0.20 -4.39 -0.05 0.00 0.02 0.00 0.00 34.50 29.87 2k3f s PRO 55 CO 0.22 -2.70 0.31 0.54 -0.33 0.00 0.00 177.00 175.04 2k3f s VAL 56 N 8.77 5.25 -0.18 3.83 0.11 -0.92 0.27 120.40 137.54 2k3f s VAL 56 Ca 0.64 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2k3f s VAL 56 Cb -0.12 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2k3f s VAL 56 CO 0.19 0.14 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.33 2k3f s VAL 57 N -1.54 1.39 -0.08 2.04 1.01 0.98 -0.92 120.40 123.28 2k3f s VAL 57 Ca 0.37 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2k3f s VAL 57 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2k3f s VAL 57 CO 0.24 0.16 0.01 -0.63 0.00 0.00 0.00 175.10 174.88 2k3f s ILE 58 N 1.51 4.39 -0.34 2.22 1.01 -0.28 -0.90 121.20 128.81 2k3f s ILE 58 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2k3f s ILE 58 Cb -0.16 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.56 2k3f s ILE 58 CO -0.08 0.60 0.08 -0.89 0.00 0.00 0.00 174.94 174.64 2k3f s THR 59 N -0.91 1.85 0.07 2.92 2.01 0.97 0.67 115.64 123.22 2k3f s THR 59 Ca 0.14 -2.11 -0.23 0.00 0.31 0.00 0.00 61.69 59.79 2k3f s THR 59 Cb -0.11 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 2k3f s THR 59 CO 0.03 -0.64 0.70 0.54 -0.69 0.00 0.00 174.62 174.56 2k3f s VAL 60 N 1.05 4.69 0.55 3.82 0.11 -0.77 -2.25 120.40 127.60 2k3f s VAL 60 Ca 0.11 1.49 0.02 0.00 -2.93 0.00 0.00 61.98 60.67 2k3f s VAL 60 Cb -0.19 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.65 2k3f s VAL 60 CO -0.13 0.44 0.77 -0.31 -3.33 0.00 0.00 175.10 172.54 2k3f s TYR 61 N -0.50 2.77 0.49 1.54 2.02 0.53 0.87 117.35 125.07 2k3f s TYR 61 Ca 0.35 -0.07 0.41 0.00 -0.37 0.00 0.00 57.07 57.38 2k3f s TYR 61 Cb -0.20 -2.72 2.08 0.00 -0.40 0.00 0.00 41.96 40.71 2k3f s TYR 61 CO 0.22 -0.88 2.25 0.93 -1.57 0.00 0.00 175.55 176.50 2k3f h GLU 62 N 0.10 0.00 0.00 -0.62 5.08 0.64 0.13 114.58 119.90 2k3f h GLU 62 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k3f h GLU 62 CO 0.51 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 2k3f n ASP 63 N -3.11 0.00 0.00 1.42 9.92 -1.26 -4.85 116.55 118.66 2k3f n ASP 63 Ca -0.02 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 2k3f n ASP 63 Cb 0.15 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2k3f n LYS 64 N -1.44 0.00 -0.95 -1.24 4.76 0.44 -5.04 118.16 114.69 2k3f n LYS 64 Ca 0.08 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 2k3f n LYS 64 Cb 0.30 -2.14 0.22 0.00 -1.84 0.00 0.00 35.03 31.57 2k3f n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3f n SER 65 N 0.00 -1.94 -2.44 4.39 7.64 -1.25 -4.45 113.62 115.57 2k3f n SER 65 Ca 0.00 -1.11 -0.01 0.00 1.01 0.00 0.00 58.87 58.76 2k3f n SER 65 Cb 0.00 -0.90 0.01 0.00 -1.01 0.00 0.00 64.21 62.31 2k3f n SER 65 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2k3f n PHE 66 N -4.59 -0.88 -3.70 1.43 -1.74 -1.26 -0.35 117.46 106.37 2k3f n PHE 66 Ca 0.14 -0.69 -0.08 0.00 -0.56 0.00 0.00 57.45 56.26 2k3f n PHE 66 Cb 0.53 0.33 -0.02 0.00 1.52 0.00 0.00 39.48 41.84 2k3f n PHE 66 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2k3f s THR 67 N -2.22 0.00 0.07 1.97 -4.23 -0.95 -4.94 115.64 105.33 2k3f s THR 67 Ca 0.15 -0.61 -0.26 0.00 -1.18 0.00 0.00 61.69 59.79 2k3f s THR 67 Cb -0.01 -1.64 0.08 0.00 1.34 0.00 0.00 72.50 72.26 2k3f s THR 67 CO 0.03 0.00 0.69 0.72 -0.54 0.00 0.00 174.62 175.51 2k3f s PHE 68 N -3.75 -0.53 0.05 3.99 -0.71 -1.26 -0.02 117.98 115.76 2k3f s PHE 68 Ca 0.08 0.52 0.02 0.00 -1.04 0.00 0.00 56.93 56.50 2k3f s PHE 68 Cb -0.04 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 2k3f s PHE 68 CO -0.00 -0.72 -0.07 0.96 -1.34 0.00 0.00 175.22 174.05 2k3f s ILE 69 N -2.90 0.51 -0.18 -4.49 -5.25 -0.08 -4.95 121.20 103.87 2k3f s ILE 69 Ca -0.01 -1.28 -0.09 0.00 -0.99 0.00 0.00 60.65 58.28 2k3f s ILE 69 Cb -0.01 -0.84 -0.05 0.00 2.95 0.00 0.00 42.46 44.51 2k3f s ILE 69 CO -0.06 -0.53 0.12 -0.63 -1.79 0.00 0.00 174.94 172.05 2k3f s ILE 70 N -1.98 5.28 -0.76 8.37 -1.09 -1.26 -0.01 121.20 129.74 2k3f s ILE 70 Ca -0.05 0.14 -0.26 0.00 -2.23 0.00 0.00 60.65 58.24 2k3f s ILE 70 Cb -0.06 -3.38 0.03 0.00 -1.58 0.00 0.00 42.46 37.48 2k3f s ILE 70 CO -0.01 0.48 1.28 -0.54 -1.23 0.00 0.00 174.94 174.92 2k3f s LYS 71 N 0.08 3.22 0.45 2.79 -0.14 0.14 -4.87 119.74 121.41 2k3f s LYS 71 Ca 0.08 -0.35 0.16 0.00 -1.36 0.00 0.00 55.97 54.50 2k3f s LYS 71 Cb -0.11 -4.29 1.02 0.00 -1.68 0.00 0.00 37.83 32.76 2k3f s LYS 71 CO -0.00 -2.14 1.98 1.79 -0.76 0.00 0.00 175.35 176.22 2k3f h THR 72 N 6.09 1.08 -0.97 2.17 1.35 -1.91 -3.39 112.91 117.34 2k3f h THR 72 Ca -0.24 -0.71 0.23 0.00 -0.55 0.00 0.00 66.41 65.14 2k3f h THR 72 Cb 1.05 1.39 -0.18 0.00 -1.73 0.00 0.00 68.15 68.67 2k3f h THR 72 CO 1.29 0.20 -0.11 -0.65 -0.25 0.00 0.00 175.52 175.99 2k3f h PRO 73 N 0.00 0.01 -1.18 4.72 0.11 -1.89 -0.80 132.00 132.97 2k3f h PRO 73 Ca -0.00 -0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.45 2k3f h PRO 73 Cb 0.37 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 2k3f h PRO 73 CO 0.03 0.01 0.85 -1.35 -0.21 0.00 0.00 178.00 177.32 2k3f h PRO 74 N 0.01 0.02 0.00 1.05 0.11 -2.01 -3.44 132.00 127.73 2k3f h PRO 74 Ca 0.52 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2k3f h PRO 74 Cb 0.94 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2k3f h PRO 74 CO -0.95 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 176.85 2k3f n ALA 75 N -2.76 0.00 -0.28 -0.75 0.00 -0.31 -4.53 120.51 111.88 2k3f n ALA 75 Ca 0.26 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.96 2k3f n ALA 75 Cb 1.24 0.00 0.61 0.00 0.00 0.00 0.00 19.45 21.29 2k3f n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k3f h SER 76 N 0.00 0.25 -0.63 0.00 0.02 -1.87 0.36 113.55 111.69 2k3f h SER 76 Ca 0.00 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 2k3f h SER 76 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2k3f h SER 76 CO 0.00 0.06 -0.53 0.15 -1.14 0.00 0.00 176.83 175.37 2k3f h PHE 77 N 0.23 -1.62 0.00 3.45 3.57 -1.90 0.22 116.94 120.89 2k3f h PHE 77 Ca 0.54 0.10 0.00 0.00 3.53 0.00 0.00 57.97 62.13 2k3f h PHE 77 Cb 1.68 0.79 0.00 0.00 2.79 0.00 0.00 35.95 41.21 2k3f h PHE 77 CO -0.00 -0.44 -1.15 -0.11 -2.23 0.00 0.00 178.31 174.38 2k3f n LEU 78 N -5.36 0.60 -0.14 0.59 7.94 0.38 -3.09 117.00 117.93 2k3f n LEU 78 Ca -0.00 -0.11 -0.10 0.00 -1.11 0.00 0.00 56.01 54.69 2k3f n LEU 78 Cb 0.33 -0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.20 2k3f n LEU 78 CO -0.05 0.08 0.86 -0.07 -1.11 0.00 0.00 177.39 177.11 2k3f h LEU 79 N 0.00 0.62 -1.60 -1.96 -0.00 -0.18 -1.95 115.31 110.24 2k3f h LEU 79 Ca 0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 57.88 57.61 2k3f h LEU 79 Cb 0.72 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2k3f h LEU 79 CO 0.00 0.69 -0.15 0.50 -0.00 0.00 0.00 178.44 179.48 2k3f h LYS 80 N 0.52 0.07 -0.98 1.13 3.11 -0.63 -0.00 116.57 119.79 2k3f h LYS 80 Ca 0.13 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.96 2k3f h LYS 80 Cb 0.32 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.49 2k3f h LYS 80 CO 0.00 0.22 0.63 0.87 -2.81 0.00 0.00 179.45 178.36 2k3f h LYS 81 N 0.07 1.30 -0.40 1.90 1.79 -1.31 -2.68 116.57 117.23 2k3f h LYS 81 Ca 0.01 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2k3f h LYS 81 Cb 0.31 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2k3f h LYS 81 CO 0.02 0.87 -0.03 0.00 -1.08 0.00 0.00 179.45 179.23 2k3f h ALA 82 N 1.35 0.55 -2.43 3.86 0.00 -0.72 -3.45 119.26 118.41 2k3f h ALA 82 Ca 0.36 -0.28 -0.49 0.00 0.00 0.00 0.00 54.91 54.50 2k3f h ALA 82 Cb -0.13 -0.15 0.10 0.00 0.00 0.00 0.00 17.79 17.62 2k3f h ALA 82 CO -0.07 0.36 0.36 0.00 0.00 0.00 0.00 179.25 179.90 2k3f s ALA 83 N -4.92 2.45 -0.87 0.00 0.00 -0.08 -4.81 121.76 113.52 2k3f s ALA 83 Ca -0.13 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.67 2k3f s ALA 83 Cb 0.10 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2k3f s ALA 83 CO 0.80 -1.55 0.63 0.41 0.00 0.00 0.00 175.76 176.06 2k3f n GLY 84 N -2.38 -0.29 3.62 0.00 0.00 -1.26 -4.83 105.19 100.06 2k3f n GLY 84 Ca 0.07 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2k3f n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3f s ILE 85 N -1.08 3.07 0.44 -0.61 -4.36 -1.26 -4.98 121.20 112.41 2k3f s ILE 85 Ca 0.08 0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.48 2k3f s ILE 85 Cb 0.07 -3.08 0.10 0.00 1.25 0.00 0.00 42.46 40.81 2k3f s ILE 85 CO 0.18 -0.04 0.51 -0.62 0.24 0.00 0.00 174.94 175.22 2k3f n GLU 86 N 8.25 -0.99 0.12 0.37 1.02 -1.26 -4.94 120.64 123.21 2k3f n GLU 86 Ca 0.25 -0.80 0.13 0.00 -0.02 0.00 0.00 57.16 56.72 2k3f n GLU 86 Cb 0.44 -0.60 0.43 0.00 -0.02 0.00 0.00 31.44 31.68 2k3f n GLU 86 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2k3f h LYS 87 N 0.00 0.00 -2.50 3.49 3.64 -2.03 -3.37 116.57 115.80 2k3f h LYS 87 Ca -0.17 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.86 2k3f h LYS 87 Cb 0.50 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2k3f h LYS 87 CO 0.12 0.00 1.28 0.41 -2.27 0.00 0.00 179.45 178.99 2k3f n GLY 88 N 0.88 3.29 3.64 5.01 0.00 -1.26 -4.90 105.19 111.85 2k3f n GLY 88 Ca 0.04 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2k3f n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3f s SER 89 N 2.24 6.68 -0.01 1.61 0.15 -1.26 -4.93 113.70 118.18 2k3f s SER 89 Ca 0.62 1.37 -0.00 0.00 0.70 0.00 0.00 55.95 58.63 2k3f s SER 89 Cb 0.24 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2k3f s SER 89 CO -0.02 -1.05 0.13 -1.28 1.20 0.00 0.00 173.24 172.22 2k3f h SER 90 N 9.30 -0.01 -0.41 5.45 0.87 -1.98 -3.48 113.55 123.29 2k3f h SER 90 Ca -0.27 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.46 2k3f h SER 90 Cb 1.11 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.88 2k3f h SER 90 CO 1.02 0.04 -0.10 -1.61 -0.53 0.00 0.00 176.83 175.64 2k3f s GLU 91 N -1.33 0.24 0.00 2.24 0.41 -1.26 -5.11 118.70 113.89 2k3f s GLU 91 Ca -0.00 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 2k3f s GLU 91 Cb 0.00 0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.45 2k3f s GLU 91 CO 0.01 -0.44 0.00 -0.35 -0.49 0.00 0.00 175.26 173.99 2k3f n PRO 92 N 5.06 0.00 -1.81 0.39 -0.04 -1.26 -4.91 135.00 132.42 2k3f n PRO 92 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2k3f n PRO 92 Cb 0.57 -0.01 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2k3f n PRO 92 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3f n LYS 93 N -0.02 -1.70 0.00 0.54 4.81 -1.26 -4.16 118.16 116.37 2k3f n LYS 93 Ca 0.00 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 2k3f n LYS 93 Cb 0.00 -5.00 0.00 0.00 0.02 0.00 0.00 35.03 30.05 2k3f n LYS 93 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2k3f n ARG 94 N -2.20 0.00 -1.74 1.64 1.85 -1.26 -4.97 116.66 109.99 2k3f n ARG 94 Ca -0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.68 2k3f n ARG 94 Cb 0.47 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.90 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2k3f n LYS 95 N -0.10 0.59 0.00 2.89 4.76 -1.26 -5.15 118.16 119.89 2k3f n LYS 95 Ca 0.00 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 2k3f n LYS 95 Cb 0.00 0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 2k3f n LYS 95 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2k3f n ILE 96 N -0.62 0.00 0.00 -0.18 -5.35 -1.26 -4.93 119.36 107.02 2k3f n ILE 96 Ca -0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2k3f n ILE 96 Cb 0.79 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2k3f n VAL 97 N -0.08 0.00 -3.53 7.28 3.14 -1.13 -4.75 118.33 119.26 2k3f n VAL 97 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2k3f n VAL 97 Cb 0.00 -0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 32.68 2k3f n VAL 97 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2k3f s GLY 98 N -2.45 -0.44 0.33 7.55 0.00 -1.25 -4.95 107.32 106.11 2k3f s GLY 98 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2k3f s GLY 98 CO 0.00 0.29 0.40 -1.59 0.00 0.00 0.00 173.10 172.19 2k3f s LYS 99 N -3.16 1.81 0.00 2.90 0.00 -1.26 -2.90 119.74 117.13 2k3f s LYS 99 Ca 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 55.97 54.22 2k3f s LYS 99 Cb -0.01 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.22 2k3f s LYS 99 CO -0.08 -0.72 0.00 1.33 0.00 0.00 0.00 175.35 175.88 2k3f n VAL 100 N -0.56 0.00 -3.60 1.79 0.24 -0.38 -4.70 118.33 111.11 2k3f n VAL 100 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2k3f n VAL 100 Cb 0.62 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.92 2k3f n VAL 100 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k3f s THR 101 N -0.08 0.00 0.38 3.34 -1.32 -1.26 0.80 115.64 117.51 2k3f s THR 101 Ca 0.00 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 2k3f s THR 101 Cb 0.00 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.37 2k3f s THR 101 CO 0.00 0.00 1.62 -0.09 -2.21 0.00 0.00 174.62 173.94 2k3f h ARG 102 N 4.05 0.13 -0.56 7.08 9.65 -1.64 0.25 114.38 133.34 2k3f h ARG 102 Ca -0.27 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 2k3f h ARG 102 Cb 1.16 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 2k3f h ARG 102 CO 0.17 0.09 0.32 -0.22 2.80 0.00 0.00 179.97 183.12 2k3f h LYS 103 N 0.13 0.60 -0.24 0.20 1.63 -1.86 0.18 116.57 117.21 2k3f h LYS 103 Ca 0.80 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.56 2k3f h LYS 103 Cb 2.15 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 33.63 2k3f h LYS 103 CO -0.62 0.40 0.14 1.96 -3.45 0.00 0.00 179.45 177.88 2k3f h GLN 104 N 0.62 0.33 -0.96 1.90 7.50 -0.92 -1.53 115.11 122.05 2k3f h GLN 104 Ca 0.24 -0.04 0.12 0.00 0.50 0.00 0.00 58.65 59.48 2k3f h GLN 104 Cb 0.09 -0.07 -0.14 0.00 0.05 0.00 0.00 27.48 27.41 2k3f h GLN 104 CO -0.13 0.29 -0.47 0.82 -1.50 0.00 0.00 178.83 177.84 2k3f h ILE 105 N 0.28 0.01 -0.36 2.54 5.03 -1.00 -1.04 117.51 122.97 2k3f h ILE 105 Ca 0.09 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.88 2k3f h ILE 105 Cb 0.05 0.01 -0.08 0.00 -3.03 0.00 0.00 36.82 33.77 2k3f h ILE 105 CO -0.01 0.00 -0.47 -0.08 -0.68 0.00 0.00 178.15 176.91 2k3f h GLU 106 N -0.02 -0.37 0.00 2.37 4.81 -0.03 0.79 114.58 122.12 2k3f h GLU 106 Ca 0.26 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 2k3f h GLU 106 Cb 0.53 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2k3f h GLU 106 CO -0.95 -0.25 -0.32 0.93 -0.73 0.00 0.00 179.01 177.69 2k3f h GLU 107 N -0.39 -0.46 -0.14 1.92 4.39 -0.81 0.66 114.58 119.76 2k3f h GLU 107 Ca 0.11 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.89 2k3f h GLU 107 Cb 0.60 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 2k3f h GLU 107 CO -0.55 -0.31 -0.31 0.82 -1.16 0.00 0.00 179.01 177.50 2k3f h ILE 108 N -0.48 0.30 -0.88 3.13 2.04 -0.74 -0.85 117.51 120.04 2k3f h ILE 108 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.10 2k3f h ILE 108 Cb 0.56 0.30 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 2k3f h ILE 108 CO -0.27 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.32 2k3f h ALA 109 N 0.45 1.36 -0.02 1.87 0.00 0.16 -1.87 119.26 121.22 2k3f h ALA 109 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k3f h ALA 109 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k3f h ALA 109 CO -0.35 -0.18 -0.00 0.87 0.00 0.00 0.00 179.25 179.58 2k3f h LYS 110 N 0.55 0.03 -0.16 0.00 1.57 0.10 0.83 116.57 119.50 2k3f h LYS 110 Ca 0.51 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.32 2k3f h LYS 110 Cb 0.82 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2k3f h LYS 110 CO -0.42 0.39 0.38 1.15 -0.57 0.00 0.00 179.45 180.38 2k3f h THR 111 N -0.33 0.15 0.00 -0.16 2.02 -0.63 -2.74 112.91 111.21 2k3f h THR 111 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k3f h THR 111 Cb 0.38 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2k3f h THR 111 CO 0.00 0.00 -0.03 2.29 0.37 0.00 0.00 175.52 178.15 2k3f n LYS 112 N -3.21 1.24 -0.34 6.66 2.85 -0.75 -4.73 118.16 119.88 2k3f n LYS 112 Ca 0.02 -1.04 0.20 0.00 -1.05 0.00 0.00 58.31 56.44 2k3f n LYS 112 Cb 0.48 -0.75 0.44 0.00 -0.65 0.00 0.00 35.03 34.55 2k3f n LYS 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3f h MET 113 N 0.00 0.50 0.00 -1.58 -0.00 1.00 0.36 114.93 115.20 2k3f h MET 113 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.64 2k3f h MET 113 Cb 0.83 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2k3f h MET 113 CO 0.00 0.33 -0.12 -1.00 -0.00 0.00 0.00 176.91 176.12 2k3f h PRO 114 N 0.51 0.00 0.01 -0.10 0.13 -1.85 0.77 132.00 131.48 2k3f h PRO 114 Ca 0.62 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.37 2k3f h PRO 114 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2k3f h PRO 114 CO -0.39 0.12 -2.11 -0.25 -0.23 0.00 0.00 178.00 175.15 2k3f n ASP 115 N -4.08 1.95 0.00 1.44 8.00 -0.52 -4.09 116.55 119.25 2k3f n ASP 115 Ca -0.02 0.28 0.03 0.00 0.71 0.00 0.00 54.79 55.79 2k3f n ASP 115 Cb 0.20 -0.81 0.18 0.00 -0.02 0.00 0.00 41.12 40.68 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k3f n LEU 116 N -4.08 0.00 -2.99 0.64 4.32 0.12 -4.79 117.00 110.22 2k3f n LEU 116 Ca -0.45 0.10 -0.16 0.00 -0.02 0.00 0.00 56.01 55.48 2k3f n LEU 116 Cb 0.86 -0.10 0.07 0.00 -1.62 0.00 0.00 43.42 42.63 2k3f n LEU 116 CO 0.15 -0.08 0.14 0.59 -1.22 0.00 0.00 177.39 176.98 2k3f n ASN 117 N -1.10 -3.62 -4.61 -1.43 5.03 -0.99 -4.93 115.26 103.61 2k3f n ASN 117 Ca 0.04 -0.47 -0.43 0.00 0.87 0.00 0.00 54.58 54.59 2k3f n ASN 117 Cb 0.03 -4.22 -0.03 0.00 -1.02 0.00 0.00 39.78 34.54 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k3f s ALA 118 N -3.28 3.42 0.31 5.41 0.00 0.23 -4.88 121.76 122.97 2k3f s ALA 118 Ca 0.21 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.90 2k3f s ALA 118 Cb -0.09 -3.61 0.52 0.00 0.00 0.00 0.00 23.12 19.94 2k3f s ALA 118 CO 0.59 -1.61 1.78 -2.95 0.00 0.00 0.00 175.76 173.56 2k3f h ASN 119 N 8.41 0.37 -4.37 0.00 7.08 -1.92 -3.45 115.58 121.70 2k3f h ASN 119 Ca -0.22 -0.11 -0.12 0.00 -3.08 0.00 0.00 56.30 52.76 2k3f h ASN 119 Cb 1.07 -0.10 -0.22 0.00 -2.08 0.00 0.00 38.32 36.99 2k3f h ASN 119 CO 1.01 0.61 -0.24 -0.55 -2.08 0.00 0.00 177.43 176.18 2k3f s SER 120 N -6.83 -0.34 0.43 6.14 0.15 -1.26 -5.05 113.70 106.94 2k3f s SER 120 Ca -0.06 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.29 2k3f s SER 120 Cb 0.14 0.59 1.13 0.00 -1.71 0.00 0.00 66.02 66.18 2k3f s SER 120 CO 0.77 -0.28 1.85 0.25 1.20 0.00 0.00 173.24 177.03 2k3f h LEU 121 N 4.74 0.36 -0.89 3.45 7.12 -1.95 0.78 115.31 128.92 2k3f h LEU 121 Ca -0.28 0.04 0.22 0.00 0.13 0.00 0.00 57.88 57.99 2k3f h LEU 121 Cb 1.18 -0.02 -0.12 0.00 -0.53 0.00 0.00 40.66 41.16 2k3f h LEU 121 CO 0.32 0.14 0.39 -0.33 -0.13 0.00 0.00 178.44 178.83 2k3f h GLU 122 N 0.36 0.40 -0.22 1.25 4.39 -1.99 0.32 114.58 119.09 2k3f h GLU 122 Ca 0.48 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 2k3f h GLU 122 Cb 1.26 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2k3f h GLU 122 CO -0.17 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 2k3f h ALA 123 N 1.70 0.30 -0.82 3.43 0.00 -1.26 -2.57 119.26 120.04 2k3f h ALA 123 Ca 0.55 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.32 2k3f h ALA 123 Cb 1.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2k3f h ALA 123 CO -0.52 0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.28 2k3f h ALA 124 N 0.80 1.62 -0.95 0.00 0.00 -0.90 -2.10 119.26 117.74 2k3f h ALA 124 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2k3f h ALA 124 Cb 0.39 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2k3f h ALA 124 CO 0.01 0.25 0.61 0.52 0.00 0.00 0.00 179.25 180.64 2k3f h MET 125 N 0.88 0.87 -0.16 0.00 2.07 -0.06 -1.20 114.93 117.33 2k3f h MET 125 Ca 0.35 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.92 2k3f h MET 125 Cb 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.78 2k3f h MET 125 CO -0.13 0.57 0.06 0.87 1.07 0.00 0.00 176.91 179.35 2k3f h LYS 126 N 0.89 0.24 0.09 1.72 1.79 -1.23 0.26 116.57 120.33 2k3f h LYS 126 Ca 0.47 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.90 2k3f h LYS 126 Cb 0.54 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 2k3f h LYS 126 CO -0.23 0.35 -0.38 0.82 -1.08 0.00 0.00 179.45 178.92 2k3f h ILE 127 N 0.09 0.00 0.13 1.86 2.04 -1.21 -0.02 117.51 120.40 2k3f h ILE 127 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2k3f h ILE 127 Cb 0.20 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2k3f h ILE 127 CO -0.00 0.00 -0.38 0.40 0.00 0.00 0.00 178.15 178.17 2k3f h ILE 128 N -0.54 0.22 -0.98 -0.67 1.08 -1.13 0.82 117.51 116.32 2k3f h ILE 128 Ca -0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 2k3f h ILE 128 Cb 0.55 0.22 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 2k3f h ILE 128 CO -0.21 0.00 0.62 1.05 -0.69 0.00 0.00 178.15 178.92 2k3f h GLU 129 N -0.61 0.93 -0.11 2.37 -0.00 -0.48 0.40 114.58 117.09 2k3f h GLU 129 Ca 0.03 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.36 59.27 2k3f h GLU 129 Cb 0.64 -0.21 -0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2k3f h GLU 129 CO -0.22 0.62 -0.16 0.78 -0.00 0.00 0.00 179.01 180.03 2k3f h GLY 130 N 0.96 0.32 -0.24 1.06 0.00 -0.19 0.19 103.07 105.17 2k3f h GLY 130 Ca 0.47 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2k3f h GLY 130 CO -0.24 0.32 -0.36 -0.84 0.00 0.00 0.00 176.54 175.42 2k3f h THR 131 N -0.13 0.00 -0.55 4.70 2.02 0.15 0.40 112.91 119.49 2k3f h THR 131 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 2k3f h THR 131 Cb 0.72 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 2k3f h THR 131 CO 0.04 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.80 2k3f h ALA 132 N -0.51 0.39 -0.43 6.16 0.00 -0.18 -0.51 119.26 124.18 2k3f h ALA 132 Ca 0.04 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2k3f h ALA 132 Cb 0.40 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 2k3f h ALA 132 CO -0.38 -0.43 -0.27 -0.22 0.00 0.00 0.00 179.25 177.95 2k3f h LYS 133 N 0.01 -0.18 0.00 0.00 3.64 -0.15 -0.16 116.57 119.73 2k3f h LYS 133 Ca 0.27 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2k3f h LYS 133 Cb 0.41 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2k3f h LYS 133 CO -0.56 -0.12 -0.31 0.77 -2.27 0.00 0.00 179.45 176.96 2k3f h SER 134 N -0.19 0.00 -0.00 4.20 0.02 -0.05 -2.99 113.55 114.54 2k3f h SER 134 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2k3f h SER 134 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2k3f h SER 134 CO -0.54 0.31 0.00 0.23 -1.14 0.00 0.00 176.83 175.69 2k3f n MET 135 N -3.90 1.00 -0.95 3.45 2.81 -0.19 -4.84 117.12 114.51 2k3f n MET 135 Ca -0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2k3f n MET 135 Cb 0.38 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 2k3f n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3f n GLY 136 N 0.68 0.52 3.67 3.03 0.00 -1.09 -4.97 105.19 107.03 2k3f n GLY 136 Ca 0.09 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2k3f n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3f s ILE 137 N -2.00 5.28 0.41 -0.61 1.01 -0.50 -2.85 121.20 121.94 2k3f s ILE 137 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 2k3f s ILE 137 Cb 0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 2k3f s ILE 137 CO 0.00 0.38 0.80 -1.83 0.00 0.00 0.00 174.94 174.28 2k3f s GLU 138 N 0.84 3.84 -0.22 2.79 -1.05 -1.14 -3.48 118.70 120.27 2k3f s GLU 138 Ca 0.07 0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 55.42 2k3f s GLU 138 Cb -0.13 -2.36 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 2k3f s GLU 138 CO 0.02 -0.04 -0.03 0.14 0.95 0.00 0.00 175.26 176.30 2k3f s VAL 139 N -2.35 3.49 0.10 1.83 -7.23 -1.26 -1.26 120.40 113.73 2k3f s VAL 139 Ca 0.53 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 2k3f s VAL 139 Cb -0.10 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2k3f s VAL 139 CO 0.29 0.42 0.21 0.68 -0.31 0.00 0.00 175.10 176.39 2k3f s VAL 140 N 1.42 5.15 0.00 1.32 -7.23 0.24 -4.83 120.40 116.47 2k3f s VAL 140 Ca 0.05 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2k3f s VAL 140 Cb -0.14 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2k3f s VAL 140 CO -0.02 0.04 0.00 -0.67 -0.31 0.00 0.00 175.10 174.14