#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f h ALA 2 N 0.00 -0.96 -2.73 3.17 0.00 -2.07 -3.45 119.26 113.22 2k3f h ALA 2 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 2k3f h ALA 2 Cb 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 17.98 2k3f h ALA 2 CO 0.00 -0.95 -0.72 0.15 0.00 0.00 0.00 179.25 177.73 2k3f s LYS 3 N -5.29 0.67 -0.27 0.00 1.02 -1.26 -5.11 119.74 109.51 2k3f s LYS 3 Ca -0.16 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.51 2k3f s LYS 3 Cb 0.02 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2k3f s LYS 3 CO 0.53 0.02 1.45 0.15 -0.92 0.00 0.00 175.35 176.57 2k3f s LYS 4 N -2.63 3.85 0.37 1.68 1.02 -1.26 -4.95 119.74 117.82 2k3f s LYS 4 Ca 0.00 1.43 -0.27 0.00 0.02 0.00 0.00 55.97 57.15 2k3f s LYS 4 Cb -0.03 -3.95 -0.10 0.00 -0.52 0.00 0.00 37.83 33.23 2k3f s LYS 4 CO -0.02 -1.21 1.32 0.08 -0.92 0.00 0.00 175.35 174.61 2k3f s VAL 5 N 4.77 2.59 -0.14 3.17 1.01 -1.26 0.12 120.40 130.66 2k3f s VAL 5 Ca 0.63 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 2k3f s VAL 5 Cb -0.20 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2k3f s VAL 5 CO 0.26 0.11 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 2k3f n ALA 6 N 0.43 1.94 -3.25 5.51 0.00 0.37 -4.40 120.51 121.11 2k3f n ALA 6 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 2k3f n ALA 6 Cb 0.42 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f s ALA 7 N -2.27 -1.28 -0.03 0.00 0.00 -0.16 -4.99 121.76 113.03 2k3f s ALA 7 Ca -0.20 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2k3f s ALA 7 Cb 0.07 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2k3f s ALA 7 CO 0.28 -0.59 0.46 -0.65 0.00 0.00 0.00 175.76 175.26 2k3f s GLN 8 N -3.01 4.13 -0.63 0.00 -0.21 -1.26 -0.38 119.66 118.29 2k3f s GLN 8 Ca -0.02 0.48 0.05 0.00 0.02 0.00 0.00 55.36 55.89 2k3f s GLN 8 Cb -0.00 -3.30 0.16 0.00 1.00 0.00 0.00 33.01 30.87 2k3f s GLN 8 CO -0.06 0.49 0.43 0.42 -2.12 0.00 0.00 175.29 174.45 2k3f s ILE 9 N -0.46 2.50 0.03 1.08 -1.09 0.22 -4.93 121.20 118.55 2k3f s ILE 9 Ca 0.25 -3.89 -0.30 0.00 -2.23 0.00 0.00 60.65 54.48 2k3f s ILE 9 Cb -0.17 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2k3f s ILE 9 CO 0.13 -1.00 1.02 -0.54 -1.23 0.00 0.00 174.94 173.32 2k3f s LYS 10 N -1.05 4.56 -0.27 2.79 1.02 -1.26 -1.01 119.74 124.53 2k3f s LYS 10 Ca 0.24 1.49 -0.15 0.00 0.02 0.00 0.00 55.97 57.57 2k3f s LYS 10 Cb -0.07 -3.42 0.08 0.00 -0.52 0.00 0.00 37.83 33.89 2k3f s LYS 10 CO -0.14 -0.04 0.66 -0.48 -0.92 0.00 0.00 175.35 174.44 2k3f s LEU 11 N 0.80 -0.88 -0.24 3.17 0.05 -1.01 -4.97 118.68 115.60 2k3f s LEU 11 Ca 0.52 1.46 -0.26 0.00 0.05 0.00 0.00 54.13 55.90 2k3f s LEU 11 Cb -0.23 2.29 0.00 0.00 -2.05 0.00 0.00 46.19 46.20 2k3f s LEU 11 CO 0.29 -0.24 0.91 -1.10 -0.55 0.00 0.00 176.35 175.66 2k3f s GLN 12 N 1.67 4.19 -0.02 1.48 1.11 -1.26 -2.67 119.66 124.16 2k3f s GLN 12 Ca -0.10 1.07 0.01 0.00 0.01 0.00 0.00 55.36 56.35 2k3f s GLN 12 Cb -0.06 -3.65 0.01 0.00 -1.01 0.00 0.00 33.01 28.30 2k3f s GLN 12 CO -0.19 -0.58 -0.03 -0.51 0.01 0.00 0.00 175.29 173.99 2k3f s LEU 13 N 3.00 1.66 -0.03 2.90 1.43 -0.13 -4.86 118.68 122.64 2k3f s LEU 13 Ca 0.38 -0.06 -0.35 0.00 -1.03 0.00 0.00 54.13 53.08 2k3f s LEU 13 Cb -0.15 -0.23 -0.13 0.00 0.03 0.00 0.00 46.19 45.72 2k3f s LEU 13 CO 0.07 -0.01 1.77 -2.65 0.23 0.00 0.00 176.35 175.76 2k3f n PRO 14 N 3.48 2.05 -1.76 1.29 -0.02 -1.22 0.76 135.00 139.58 2k3f n PRO 14 Ca -0.19 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2k3f n PRO 14 Cb 0.55 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.06 3.76 0.00 3.55 0.00 0.40 -0.41 121.76 132.12 2k3f s ALA 15 Ca 0.89 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.26 2k3f s ALA 15 Cb -0.73 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2k3f s ALA 15 CO 0.49 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2k3f n GLY 16 N 4.17 1.04 2.70 0.00 0.00 -1.24 -0.48 105.19 111.39 2k3f n GLY 16 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.20 0.16 -0.27 1.61 2.47 0.45 -4.99 119.74 118.97 2k3f s LYS 17 Ca 0.00 0.08 -0.26 0.00 -1.56 0.00 0.00 55.97 54.23 2k3f s LYS 17 Cb 0.00 -1.38 0.15 0.00 -1.46 0.00 0.00 37.83 35.13 2k3f s LYS 17 CO 0.00 -0.69 1.16 0.00 0.16 0.00 0.00 175.35 175.98 2k3f s ALA 18 N 2.26 -2.04 0.00 3.13 0.00 -1.26 -3.41 121.76 120.44 2k3f s ALA 18 Ca 0.06 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2k3f s ALA 18 Cb -0.16 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2k3f s ALA 18 CO -0.13 -0.21 0.00 -2.37 0.00 0.00 0.00 175.76 173.05 2k3f n THR 19 N 1.70 0.00 -3.99 0.00 5.66 -1.26 -4.75 114.28 111.64 2k3f n THR 19 Ca -0.11 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.55 2k3f n THR 19 Cb 0.57 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 3.91 0.00 1.09 0.04 -1.26 -4.55 135.00 134.23 2k3f s PRO 20 Ca 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2k3f s PRO 20 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k3f s PRO 20 CO 0.00 0.34 0.00 0.00 0.04 0.00 0.00 177.00 177.38 2k3f n ALA 21 N 3.35 0.00 0.35 8.56 0.00 -1.26 -2.42 120.51 129.09 2k3f n ALA 21 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2k3f n ALA 21 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.86 0.07 0.00 0.11 -1.95 -2.66 132.00 126.71 2k3f h PRO 22 Ca 0.00 0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2k3f h PRO 22 Cb 0.00 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2k3f h PRO 22 CO 0.00 -0.57 -0.03 -1.00 -0.21 0.00 0.00 178.00 176.18 2k3f h PRO 23 N -0.91 -0.09 0.06 1.05 0.13 -1.95 -3.40 132.00 126.90 2k3f h PRO 23 Ca -0.09 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.89 2k3f h PRO 23 Cb 0.68 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2k3f h PRO 23 CO 0.15 0.48 -0.75 0.28 -0.23 0.00 0.00 178.00 177.93 2k3f h VAL 24 N -0.85 1.39 -0.82 1.56 2.07 -1.66 -3.24 116.25 114.70 2k3f h VAL 24 Ca -0.01 -2.37 0.14 0.00 0.82 0.00 0.00 66.70 65.28 2k3f h VAL 24 Cb 0.61 2.97 -0.14 0.00 -1.52 0.00 0.00 31.29 33.21 2k3f h VAL 24 CO 0.02 0.60 -0.33 1.23 0.02 0.00 0.00 177.57 179.10 2k3f h GLY 25 N -0.60 0.13 0.77 2.17 0.00 -1.41 -0.69 103.07 103.43 2k3f h GLY 25 Ca -0.17 0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2k3f h GLY 25 CO 0.01 -0.23 -0.18 -2.55 0.00 0.00 0.00 176.54 173.59 2k3f h PRO 26 N -0.06 0.40 0.02 4.80 0.11 -1.68 0.22 132.00 135.81 2k3f h PRO 26 Ca 0.32 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2k3f h PRO 26 Cb 0.59 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2k3f h PRO 26 CO -0.86 0.78 -0.08 0.00 -0.21 0.00 0.00 178.00 177.63 2k3f h ALA 27 N 0.61 -0.64 0.02 -0.75 0.00 -1.43 -2.96 119.26 114.10 2k3f h ALA 27 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3f h ALA 27 Cb 0.72 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k3f h ALA 27 CO 0.04 -0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 178.56 2k3f h LEU 28 N -0.12 -0.02 -0.81 0.00 3.38 -1.26 -3.36 115.31 113.12 2k3f h LEU 28 Ca -0.00 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 57.24 2k3f h LEU 28 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2k3f h LEU 28 CO -0.04 0.81 0.53 1.23 0.09 0.00 0.00 178.44 181.06 2k3f h GLY 29 N -0.92 1.17 2.00 0.83 0.00 -0.68 0.12 103.07 105.59 2k3f h GLY 29 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2k3f h GLY 29 CO 0.00 0.37 -0.01 -1.61 0.00 0.00 0.00 176.54 175.29 2k3f h GLN 30 N 1.05 0.00 -0.56 4.80 4.15 -1.45 0.32 115.11 123.42 2k3f h GLN 30 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.74 2k3f h GLN 30 Cb -0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2k3f h GLN 30 CO -0.09 0.01 0.00 0.72 -1.93 0.00 0.00 178.83 177.53 2k3f n HIS 31 N -3.94 1.55 -1.00 3.99 8.25 0.33 -4.91 115.22 119.49 2k3f n HIS 31 Ca -0.03 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 2k3f n HIS 31 Cb 0.09 -0.32 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 0.73 0.52 3.82 -1.41 0.00 0.10 -4.90 105.19 104.06 2k3f n GLY 32 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.12 4.49 -0.59 1.61 1.01 -0.67 -4.92 120.40 119.21 2k3f s VAL 33 Ca 0.00 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 2k3f s VAL 33 Cb 0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2k3f s VAL 33 CO 0.00 -0.08 1.92 0.20 0.00 0.00 0.00 175.10 177.14 2k3f s ASN 34 N -2.00 5.20 0.27 3.32 -0.87 -1.26 -4.15 114.94 115.45 2k3f s ASN 34 Ca 0.53 0.46 0.00 0.00 -1.57 0.00 0.00 52.86 52.28 2k3f s ASN 34 Cb -0.13 -2.53 0.57 0.00 -0.02 0.00 0.00 41.25 39.14 2k3f s ASN 34 CO 0.18 -2.41 1.77 0.40 -2.57 0.00 0.00 177.10 174.47 2k3f h ILE 35 N 6.98 0.73 0.25 0.60 1.08 -1.93 0.98 117.51 126.19 2k3f h ILE 35 Ca -0.26 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2k3f h ILE 35 Cb 1.17 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2k3f h ILE 35 CO 1.20 0.12 -0.12 0.24 -0.69 0.00 0.00 178.15 178.91 2k3f h MET 36 N 0.66 -0.32 -0.90 2.37 2.86 -1.88 0.50 114.93 118.22 2k3f h MET 36 Ca 0.48 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.21 2k3f h MET 36 Cb 0.69 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 2k3f h MET 36 CO -0.36 -0.05 0.57 0.93 1.06 0.00 0.00 176.91 179.05 2k3f h GLU 37 N -0.57 1.00 0.61 1.72 5.08 -1.86 0.65 114.58 121.21 2k3f h GLU 37 Ca -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2k3f h GLU 37 Cb 0.42 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k3f h GLU 37 CO 0.06 0.66 -0.40 0.35 -1.00 0.00 0.00 179.01 178.68 2k3f h PHE 38 N 1.03 -1.07 -0.23 4.33 3.57 -0.63 -1.31 116.94 122.64 2k3f h PHE 38 Ca 0.40 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.93 2k3f h PHE 38 Cb 0.18 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2k3f h PHE 38 CO -0.02 -0.60 -0.02 0.00 -2.23 0.00 0.00 178.31 175.44 2k3f h LYS 40 N 0.05 0.00 0.12 0.00 3.11 0.25 0.31 116.57 120.40 2k3f h LYS 40 Ca 0.11 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2k3f h LYS 40 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2k3f h LYS 40 CO -0.20 0.10 -0.06 0.00 -2.81 0.00 0.00 179.45 176.48 2k3f h ARG 41 N 0.00 -0.15 -0.55 1.90 3.08 0.12 -3.13 114.38 115.65 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 0.42 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 2k3f h ARG 41 CO 0.01 -0.10 0.25 0.35 -1.07 0.00 0.00 179.97 179.41 2k3f h PHE 42 N -0.60 0.44 -0.09 3.04 3.57 0.51 0.24 116.94 124.05 2k3f h PHE 42 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k3f h PHE 42 Cb 0.12 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2k3f h PHE 42 CO 0.02 0.18 0.06 -0.91 -2.23 0.00 0.00 178.31 175.43 2k3f h ASN 43 N 0.47 0.12 -0.50 0.41 -0.26 -1.13 0.44 115.58 115.13 2k3f h ASN 43 Ca 0.25 -0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 55.89 2k3f h ASN 43 Cb 0.22 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 2k3f h ASN 43 CO -0.21 0.14 0.16 0.00 -1.06 0.00 0.00 177.43 176.45 2k3f h ALA 44 N 0.98 1.24 -0.16 -0.83 0.00 -1.26 -1.16 119.26 118.07 2k3f h ALA 44 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k3f h ALA 44 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k3f h ALA 44 CO -0.01 0.53 0.05 0.93 0.00 0.00 0.00 179.25 180.76 2k3f h GLU 45 N 0.81 0.25 -0.21 0.00 4.39 0.08 -3.19 114.58 116.70 2k3f h GLU 45 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2k3f h GLU 45 Cb 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k3f h GLU 45 CO -0.01 0.37 0.00 0.25 -1.16 0.00 0.00 179.01 178.47 2k3f n THR 46 N -4.83 0.28 -0.34 1.13 -2.24 0.15 -4.21 114.28 104.22 2k3f n THR 46 Ca -0.05 -0.37 0.26 0.00 -2.27 0.00 0.00 64.05 61.62 2k3f n THR 46 Cb 0.14 0.32 0.55 0.00 -2.10 0.00 0.00 70.33 69.24 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 3.93 2.37 0.11 6.98 0.00 -1.20 0.32 119.26 131.77 2k3f h ALA 47 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 2k3f h ALA 47 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k3f h ALA 47 CO 0.00 -0.80 -1.68 0.38 0.00 0.00 0.00 179.25 177.15 2k3f h ASP 48 N 0.32 0.37 -0.47 0.00 2.03 -1.85 -3.29 116.42 113.54 2k3f h ASP 48 Ca 0.62 -0.60 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2k3f h ASP 48 Cb 1.72 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 40.09 2k3f h ASP 48 CO -0.29 1.52 0.01 0.29 -1.03 0.00 0.00 179.24 179.73 2k3f n LYS 49 N -3.42 4.12 -1.57 4.15 5.02 -0.70 -4.97 118.16 120.78 2k3f n LYS 49 Ca -0.21 -2.53 -0.38 0.00 -2.02 0.00 0.00 58.31 53.18 2k3f n LYS 49 Cb 1.05 -2.12 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.49 -0.17 -0.26 7.82 0.00 0.02 -3.73 120.51 124.67 2k3f n ALA 50 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2k3f n ALA 50 Cb 1.02 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.41 0.87 2.77 0.00 0.00 0.37 -4.93 105.19 105.68 2k3f n GLY 51 Ca 0.13 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.55 0.12 -0.82 1.61 1.00 -1.24 -4.90 119.30 114.53 2k3f s MET 52 Ca 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 55.69 55.62 2k3f s MET 52 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 34.83 34.33 2k3f s MET 52 CO 0.00 -0.20 2.06 0.42 0.00 0.00 0.00 175.02 177.30 2k3f s ILE 53 N 1.33 3.32 0.15 2.53 -1.09 -1.26 0.15 121.20 126.33 2k3f s ILE 53 Ca -0.06 -0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 57.88 2k3f s ILE 53 Cb -0.13 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2k3f s ILE 53 CO -0.03 -0.69 0.93 -0.76 -1.23 0.00 0.00 174.94 173.16 2k3f s LEU 54 N 11.10 4.55 -0.57 2.97 1.43 0.23 -4.73 118.68 133.66 2k3f s LEU 54 Ca 0.76 1.81 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 2k3f s LEU 54 Cb -0.09 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2k3f s LEU 54 CO 0.06 0.04 1.46 -2.84 0.23 0.00 0.00 176.35 175.29 2k3f s PRO 55 N -0.48 3.22 0.12 1.29 0.02 -1.26 -0.96 135.00 136.94 2k3f s PRO 55 Ca 0.43 0.44 0.01 0.00 0.02 0.00 0.00 61.00 61.91 2k3f s PRO 55 Cb -0.24 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.08 2k3f s PRO 55 CO 0.30 -2.04 0.26 0.54 -0.33 0.00 0.00 177.00 175.73 2k3f s VAL 56 N 6.37 5.34 -0.16 3.83 0.11 -1.09 -0.74 120.40 134.07 2k3f s VAL 56 Ca 0.53 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2k3f s VAL 56 Cb -0.11 -3.70 0.05 0.00 -1.53 0.00 0.00 36.38 31.09 2k3f s VAL 56 CO 0.24 -0.00 0.01 -0.69 -3.33 0.00 0.00 175.10 171.33 2k3f s VAL 57 N -1.66 0.55 -0.08 2.04 1.01 -0.17 -2.39 120.40 119.71 2k3f s VAL 57 Ca 0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2k3f s VAL 57 Cb -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2k3f s VAL 57 CO 0.28 -0.03 -0.02 -0.63 0.00 0.00 0.00 175.10 174.70 2k3f s ILE 58 N 1.86 4.10 -0.38 2.22 1.01 -0.18 -0.72 121.20 129.12 2k3f s ILE 58 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2k3f s ILE 58 Cb -0.15 -2.71 0.11 0.00 0.01 0.00 0.00 42.46 39.72 2k3f s ILE 58 CO -0.07 0.60 0.12 -0.89 0.00 0.00 0.00 174.94 174.70 2k3f s THR 59 N -0.85 2.10 0.07 2.92 2.01 0.98 0.69 115.64 123.55 2k3f s THR 59 Ca 0.13 -2.45 -0.21 0.00 0.31 0.00 0.00 61.69 59.47 2k3f s THR 59 Cb -0.11 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.81 2k3f s THR 59 CO 0.02 -0.68 0.63 0.54 -0.69 0.00 0.00 174.62 174.44 2k3f s VAL 60 N 0.69 4.72 0.58 3.82 0.11 0.49 -2.36 120.40 128.46 2k3f s VAL 60 Ca 0.13 1.35 0.02 0.00 -2.93 0.00 0.00 61.98 60.54 2k3f s VAL 60 Cb -0.21 -3.97 0.05 0.00 -1.53 0.00 0.00 36.38 30.73 2k3f s VAL 60 CO -0.08 0.50 0.81 -0.31 -3.33 0.00 0.00 175.10 172.68 2k3f s TYR 61 N -0.77 2.50 0.50 1.54 2.02 0.36 0.14 117.35 123.64 2k3f s TYR 61 Ca 0.32 -0.13 0.38 0.00 -0.37 0.00 0.00 57.07 57.26 2k3f s TYR 61 Cb -0.20 -2.75 1.99 0.00 -0.40 0.00 0.00 41.96 40.61 2k3f s TYR 61 CO 0.20 -1.04 2.23 0.93 -1.57 0.00 0.00 175.55 176.30 2k3f h GLU 62 N -0.02 0.00 0.00 -0.62 4.39 0.74 -0.54 114.58 118.53 2k3f h GLU 62 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2k3f h GLU 62 CO 0.48 0.02 0.00 -3.47 -1.16 0.00 0.00 179.01 174.88 2k3f n ASP 63 N -3.25 0.47 0.00 1.42 2.03 -1.26 -4.85 116.55 111.11 2k3f n ASP 63 Ca -0.02 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2k3f n ASP 63 Cb 0.15 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3f n LYS 64 N -1.96 0.00 -1.05 -0.67 4.76 -0.21 -5.04 118.16 113.98 2k3f n LYS 64 Ca 0.05 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 2k3f n LYS 64 Cb 0.34 -1.76 0.25 0.00 -1.84 0.00 0.00 35.03 32.01 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3f s SER 65 N -3.20 0.59 0.09 4.39 0.01 -1.26 -4.50 113.70 109.82 2k3f s SER 65 Ca 0.00 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 57.66 2k3f s SER 65 Cb 0.00 -0.72 0.05 0.00 0.21 0.00 0.00 66.02 65.57 2k3f s SER 65 CO 0.00 -4.32 0.69 2.22 0.41 0.00 0.00 173.24 172.24 2k3f n PHE 66 N -4.88 -0.91 -3.65 2.43 -1.74 -1.26 -0.49 117.46 106.96 2k3f n PHE 66 Ca 0.15 -0.73 -0.10 0.00 -0.56 0.00 0.00 57.45 56.20 2k3f n PHE 66 Cb 0.60 0.35 -0.03 0.00 1.52 0.00 0.00 39.48 41.93 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 -2.21 0.01 0.08 1.97 -4.23 -0.99 -4.95 115.64 105.32 2k3f s THR 67 Ca 0.15 -0.55 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 2k3f s THR 67 Cb -0.02 -1.47 0.08 0.00 1.34 0.00 0.00 72.50 72.43 2k3f s THR 67 CO 0.03 -0.05 0.67 0.72 -0.54 0.00 0.00 174.62 175.45 2k3f s PHE 68 N -3.84 -0.54 0.27 3.99 -0.71 -1.26 -0.01 117.98 115.88 2k3f s PHE 68 Ca 0.07 0.51 0.05 0.00 -1.04 0.00 0.00 56.93 56.52 2k3f s PHE 68 Cb -0.02 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 2k3f s PHE 68 CO -0.04 -0.73 -0.02 0.96 -1.34 0.00 0.00 175.22 174.04 2k3f s ILE 69 N -2.97 1.36 -0.07 -4.49 -4.36 0.11 -4.94 121.20 105.83 2k3f s ILE 69 Ca -0.01 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2k3f s ILE 69 Cb -0.01 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.25 2k3f s ILE 69 CO -0.07 -0.26 -0.14 -0.63 0.24 0.00 0.00 174.94 174.08 2k3f s ILE 70 N -3.20 1.23 -1.19 8.37 -1.09 -1.26 -0.99 121.20 123.07 2k3f s ILE 70 Ca 0.30 -0.54 -0.20 0.00 -2.23 0.00 0.00 60.65 57.98 2k3f s ILE 70 Cb 0.05 -1.11 0.03 0.00 -1.58 0.00 0.00 42.46 39.86 2k3f s ILE 70 CO 0.11 0.37 1.71 -0.54 -1.23 0.00 0.00 174.94 175.36 2k3f s LYS 71 N 0.58 3.58 -0.47 2.79 -0.14 0.08 -4.89 119.74 121.28 2k3f s LYS 71 Ca -0.14 -1.54 -0.16 0.00 -1.36 0.00 0.00 55.97 52.76 2k3f s LYS 71 Cb -0.16 -5.42 -0.11 0.00 -1.68 0.00 0.00 37.83 30.47 2k3f s LYS 71 CO 0.04 -2.57 1.32 0.25 -0.76 0.00 0.00 175.35 173.63 2k3f n THR 72 N 6.82 0.00 -0.03 2.17 -2.24 -1.26 -3.98 114.28 115.76 2k3f n THR 72 Ca 0.44 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.20 2k3f n THR 72 Cb 0.47 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2k3f n THR 72 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2k3f n PRO 73 N 4.20 0.00 -0.07 -0.78 -0.02 -1.26 -4.65 135.00 132.41 2k3f n PRO 73 Ca 0.32 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2k3f n PRO 73 Cb 0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.46 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2k3f n PRO 74 N 0.20 -0.05 0.00 0.52 -0.02 -1.26 -4.53 135.00 129.87 2k3f n PRO 74 Ca 0.02 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2k3f n PRO 74 Cb -0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N -3.90 0.00 -0.15 3.55 0.00 -1.26 -4.97 120.51 113.78 2k3f n ALA 75 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2k3f n ALA 75 Cb 0.07 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.91 2k3f n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k3f h SER 76 N 0.00 0.58 -0.34 0.00 0.87 -1.98 0.43 113.55 113.10 2k3f h SER 76 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 2k3f h SER 76 Cb 0.00 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2k3f h SER 76 CO 0.00 0.37 -0.43 -0.26 -0.53 0.00 0.00 176.83 175.98 2k3f h PHE 77 N 0.66 1.10 0.00 2.24 0.04 -1.95 -1.29 116.94 117.73 2k3f h PHE 77 Ca 0.30 -0.35 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 2k3f h PHE 77 Cb 0.32 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 2k3f h PHE 77 CO -0.00 1.18 -0.86 -0.07 -0.60 0.00 0.00 178.31 177.95 2k3f h LEU 78 N 0.71 0.00 -0.93 1.54 4.07 -1.51 -2.74 115.31 116.44 2k3f h LEU 78 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2k3f h LEU 78 Cb 1.03 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.73 2k3f h LEU 78 CO 0.10 0.66 0.58 -0.07 -1.08 0.00 0.00 178.44 178.64 2k3f h LEU 79 N 0.00 1.10 -2.20 1.67 3.38 -0.15 -0.71 115.31 118.40 2k3f h LEU 79 Ca -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2k3f h LEU 79 Cb 1.55 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k3f h LEU 79 CO 0.08 0.83 -0.06 0.11 0.09 0.00 0.00 178.44 179.49 2k3f h LYS 80 N 1.28 0.00 0.12 1.13 1.57 -0.95 0.68 116.57 120.41 2k3f h LYS 80 Ca 0.34 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2k3f h LYS 80 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2k3f h LYS 80 CO -0.07 0.06 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.51 2k3f h LYS 81 N 0.00 -0.29 0.00 3.15 3.11 -0.86 -3.38 116.57 118.30 2k3f h LYS 81 Ca -0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2k3f h LYS 81 Cb 0.22 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2k3f h LYS 81 CO 0.01 -0.19 -0.17 0.00 -2.81 0.00 0.00 179.45 176.28 2k3f h ALA 82 N 0.54 0.00 -2.32 5.00 0.00 -1.40 -3.46 119.26 117.62 2k3f h ALA 82 Ca 0.01 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 2k3f h ALA 82 Cb 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k3f h ALA 82 CO -0.05 0.17 0.89 0.00 0.00 0.00 0.00 179.25 180.26 2k3f s ALA 83 N -2.72 3.60 -0.21 0.00 0.00 0.23 -4.88 121.76 117.78 2k3f s ALA 83 Ca -0.05 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2k3f s ALA 83 Cb 0.01 -3.62 0.24 0.00 0.00 0.00 0.00 23.12 19.75 2k3f s ALA 83 CO 0.07 -1.03 1.57 0.41 0.00 0.00 0.00 175.76 176.78 2k3f n GLY 84 N 3.72 3.26 3.59 0.00 0.00 -1.26 -3.82 105.19 110.69 2k3f n GLY 84 Ca 0.14 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2k3f n GLY 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k3f s ILE 85 N -1.51 3.10 0.00 -0.61 2.07 -1.26 -4.63 121.20 118.36 2k3f s ILE 85 Ca 0.24 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2k3f s ILE 85 Cb 0.20 -3.15 0.00 0.00 0.13 0.00 0.00 42.46 39.64 2k3f s ILE 85 CO 0.03 -0.10 0.87 1.21 -1.91 0.00 0.00 174.94 175.04 2k3f n GLU 86 N 8.74 0.00 -0.56 3.50 2.13 -1.26 -4.83 120.64 128.36 2k3f n GLU 86 Ca 0.29 -0.83 -0.00 0.00 0.66 0.00 0.00 57.16 57.28 2k3f n GLU 86 Cb 0.46 0.46 -0.00 0.00 0.27 0.00 0.00 31.44 32.63 2k3f n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k3f n LYS 87 N 0.00 0.00 0.00 5.31 4.01 -1.26 -5.14 118.16 121.08 2k3f n LYS 87 Ca -0.23 -0.50 0.00 0.00 -0.51 0.00 0.00 58.31 57.06 2k3f n LYS 87 Cb 0.64 -0.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k3f n GLY 88 N 0.02 -2.37 3.64 0.72 0.00 -1.26 -5.02 105.19 100.92 2k3f n GLY 88 Ca -0.01 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.69 -0.19 1.61 0.15 -1.26 -4.97 113.70 106.10 2k3f s SER 89 Ca 0.00 1.20 0.07 0.00 0.70 0.00 0.00 55.95 57.92 2k3f s SER 89 Cb 0.00 1.26 0.23 0.00 -1.71 0.00 0.00 66.02 65.80 2k3f s SER 89 CO 0.00 -0.20 1.25 -0.24 1.20 0.00 0.00 173.24 175.25 2k3f n SER 90 N 3.34 -1.17 -2.72 5.45 2.88 -1.26 -5.02 113.62 115.12 2k3f n SER 90 Ca -0.17 -2.00 -0.04 0.00 -1.33 0.00 0.00 58.87 55.33 2k3f n SER 90 Cb 0.57 0.49 0.03 0.00 -0.75 0.00 0.00 64.21 64.55 2k3f n SER 90 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k3f n GLU 91 N -0.87 0.35 -3.39 -1.46 4.07 -1.26 -5.15 120.64 112.93 2k3f n GLU 91 Ca -0.20 -1.42 -0.38 0.00 -0.06 0.00 0.00 57.16 55.10 2k3f n GLU 91 Cb 0.77 -0.72 -0.06 0.00 -0.06 0.00 0.00 31.44 31.37 2k3f n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2k3f s PRO 92 N 0.86 4.13 0.42 5.31 0.04 -1.26 -3.08 135.00 141.42 2k3f s PRO 92 Ca 0.27 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2k3f s PRO 92 Cb 0.08 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2k3f s PRO 92 CO -0.09 0.50 0.00 0.36 0.04 0.00 0.00 177.00 177.81 2k3f n LYS 93 N 2.44 -2.55 0.00 4.56 2.85 -1.26 -4.81 118.16 119.39 2k3f n LYS 93 Ca -0.11 1.96 0.00 0.00 -1.05 0.00 0.00 58.31 59.12 2k3f n LYS 93 Cb 0.52 -3.02 0.00 0.00 -0.65 0.00 0.00 35.03 31.88 2k3f n LYS 93 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k3f n ARG 94 N -3.92 0.00 0.00 -1.58 1.74 -1.26 -3.35 116.66 108.28 2k3f n ARG 94 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2k3f n ARG 94 Cb 0.54 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 2k3f n ARG 94 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k3f n LYS 95 N -1.83 0.00 0.00 5.56 4.81 -1.26 -5.17 118.16 120.27 2k3f n LYS 95 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k3f n LYS 95 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k3f n LYS 95 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2k3f n ILE 96 N -1.98 0.00 0.00 3.15 -5.35 -1.18 -4.94 119.36 109.07 2k3f n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k3f n ILE 96 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -0.43 0.00 -3.57 7.28 3.14 -1.03 -4.96 118.33 118.77 2k3f n VAL 97 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 2k3f n VAL 97 Cb 0.00 -0.44 -0.04 0.00 -1.06 0.00 0.00 33.84 32.29 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 -4.70 -0.28 0.33 7.55 0.00 -1.25 -5.00 107.32 103.97 2k3f s GLY 98 Ca 0.00 1.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.57 2k3f s GLY 98 CO 0.00 0.89 0.47 -1.59 0.00 0.00 0.00 173.10 172.87 2k3f s LYS 99 N -1.51 1.86 0.00 2.90 0.00 -1.26 -2.81 119.74 118.91 2k3f s LYS 99 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 55.97 54.27 2k3f s LYS 99 Cb -0.01 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.27 2k3f s LYS 99 CO -0.01 -0.77 0.00 1.33 0.00 0.00 0.00 175.35 175.90 2k3f n VAL 100 N -0.54 0.00 -4.28 1.79 0.24 -0.99 -4.66 118.33 109.89 2k3f n VAL 100 Ca 0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.12 2k3f n VAL 100 Cb 0.62 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.76 1.51 0.35 3.34 -1.32 -1.26 0.13 115.64 115.63 2k3f s THR 101 Ca 0.00 -1.89 0.16 0.00 -1.21 0.00 0.00 61.69 58.75 2k3f s THR 101 Cb 0.00 -1.73 0.36 0.00 -1.51 0.00 0.00 72.50 69.62 2k3f s THR 101 CO 0.00 -0.45 1.58 -0.09 -2.21 0.00 0.00 174.62 173.45 2k3f h ARG 102 N 3.21 0.02 -0.64 7.08 9.65 -1.84 0.49 114.38 132.35 2k3f h ARG 102 Ca -0.40 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.53 2k3f h ARG 102 Cb 1.20 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.73 2k3f h ARG 102 CO 0.54 0.01 0.37 -0.22 2.80 0.00 0.00 179.97 183.47 2k3f h LYS 103 N 0.02 0.68 0.02 0.20 1.63 -1.95 0.18 116.57 117.35 2k3f h LYS 103 Ca 0.78 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.54 2k3f h LYS 103 Cb 1.98 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 2k3f h LYS 103 CO -0.80 0.45 -0.01 0.37 -3.45 0.00 0.00 179.45 176.01 2k3f h GLN 104 N 0.70 -0.02 -0.92 1.90 -0.00 -1.30 -1.78 115.11 113.68 2k3f h GLN 104 Ca 0.28 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 59.05 2k3f h GLN 104 Cb 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 27.48 27.48 2k3f h GLN 104 CO -0.15 0.07 -0.43 -0.89 0.00 0.00 0.00 178.83 177.42 2k3f n ILE 105 N -5.06 -0.54 0.08 2.39 2.08 -0.78 -1.29 119.36 116.24 2k3f n ILE 105 Ca -0.07 2.18 -0.15 0.00 0.56 0.00 0.00 62.75 65.26 2k3f n ILE 105 Cb 0.08 -2.80 -0.09 0.00 -0.75 0.00 0.00 39.64 36.08 2k3f n ILE 105 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k3f h GLU 106 N 0.00 -0.64 0.44 0.38 4.81 -0.13 0.43 114.58 119.86 2k3f h GLU 106 Ca 0.25 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2k3f h GLU 106 Cb 0.48 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2k3f h GLU 106 CO -0.89 -0.43 -0.30 0.93 -0.73 0.00 0.00 179.01 177.59 2k3f h GLU 107 N -0.67 -0.69 -0.61 1.92 5.08 -0.93 0.23 114.58 118.90 2k3f h GLU 107 Ca -0.00 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2k3f h GLU 107 Cb 0.68 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.98 2k3f h GLU 107 CO -0.29 -0.46 -0.16 0.82 -1.00 0.00 0.00 179.01 177.92 2k3f h ILE 108 N -0.72 0.38 -0.48 3.13 2.04 -1.16 0.10 117.51 120.81 2k3f h ILE 108 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2k3f h ILE 108 Cb 0.61 0.38 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 2k3f h ILE 108 CO 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 178.00 2k3f h ALA 109 N 1.61 0.21 0.00 1.87 0.00 0.99 -2.69 119.26 121.25 2k3f h ALA 109 Ca 0.29 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 2k3f h ALA 109 Cb 0.45 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k3f h ALA 109 CO -0.63 -0.51 -0.81 1.57 0.00 0.00 0.00 179.25 178.87 2k3f h LYS 110 N -0.07 0.01 -0.54 0.00 5.09 0.38 -2.05 116.57 119.38 2k3f h LYS 110 Ca 0.23 -0.01 0.08 0.00 0.09 0.00 0.00 60.65 61.04 2k3f h LYS 110 Cb 0.42 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.69 2k3f h LYS 110 CO -0.53 0.81 0.18 1.15 -2.09 0.00 0.00 179.45 178.98 2k3f h THR 111 N 0.00 0.79 -0.61 0.07 2.02 -0.54 -2.45 112.91 112.19 2k3f h THR 111 Ca -0.01 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2k3f h THR 111 Cb 1.43 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2k3f h THR 111 CO 0.11 0.07 0.00 2.29 0.37 0.00 0.00 175.52 178.35 2k3f n LYS 112 N -5.02 4.38 -0.25 6.66 2.85 -1.04 -4.60 118.16 121.14 2k3f n LYS 112 Ca 0.07 -3.05 0.06 0.00 -1.05 0.00 0.00 58.31 54.33 2k3f n LYS 112 Cb 0.24 -2.10 0.17 0.00 -0.65 0.00 0.00 35.03 32.69 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2k3f h MET 113 N 4.03 0.17 0.00 -1.58 4.05 -0.86 0.13 114.93 120.86 2k3f h MET 113 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2k3f h MET 113 Cb 1.75 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.51 2k3f h MET 113 CO 0.38 0.11 -0.04 -1.00 0.23 0.00 0.00 176.91 176.59 2k3f h PRO 114 N 0.17 0.00 0.00 0.39 0.13 -1.83 -1.73 132.00 129.13 2k3f h PRO 114 Ca 0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.39 2k3f h PRO 114 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2k3f h PRO 114 CO -0.59 0.04 -1.04 -3.47 -0.23 0.00 0.00 178.00 172.70 2k3f n ASP 115 N -3.28 1.84 0.00 1.44 2.03 0.24 -4.07 116.55 114.75 2k3f n ASP 115 Ca -0.01 0.49 0.03 0.00 0.52 0.00 0.00 54.79 55.81 2k3f n ASP 115 Cb 0.20 -0.93 0.15 0.00 -0.72 0.00 0.00 41.12 39.82 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k3f n LEU 116 N -4.49 0.00 -3.34 -2.67 4.32 -0.05 -4.80 117.00 105.97 2k3f n LEU 116 Ca -0.25 0.15 -0.17 0.00 -0.02 0.00 0.00 56.01 55.72 2k3f n LEU 116 Cb 0.55 -0.15 0.08 0.00 -1.62 0.00 0.00 43.42 42.29 2k3f n LEU 116 CO 0.16 -0.12 0.13 -3.20 -1.22 0.00 0.00 177.39 173.14 2k3f n ASN 117 N -1.15 -2.79 -4.62 -1.43 4.05 -1.01 -4.90 115.26 103.41 2k3f n ASN 117 Ca 0.03 -0.58 -0.43 0.00 0.45 0.00 0.00 54.58 54.06 2k3f n ASN 117 Cb 0.03 -4.90 -0.02 0.00 1.23 0.00 0.00 39.78 36.12 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k3f s ALA 118 N -3.34 3.39 0.24 5.20 0.00 -0.68 -4.88 121.76 121.69 2k3f s ALA 118 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 2k3f s ALA 118 Cb -0.04 -3.72 0.28 0.00 0.00 0.00 0.00 23.12 19.63 2k3f s ALA 118 CO 0.70 -1.72 1.67 -2.95 0.00 0.00 0.00 175.76 173.45 2k3f h ASN 119 N 8.46 0.65 -4.27 0.00 7.08 -1.90 -3.45 115.58 122.15 2k3f h ASN 119 Ca -0.21 -0.23 -0.12 0.00 -3.08 0.00 0.00 56.30 52.66 2k3f h ASN 119 Cb 1.06 -0.18 -0.23 0.00 -2.08 0.00 0.00 38.32 36.90 2k3f h ASN 119 CO 1.05 0.87 -0.23 -0.94 -2.08 0.00 0.00 177.43 176.11 2k3f s SER 120 N -6.78 -0.37 0.41 6.14 1.04 -1.26 -5.06 113.70 107.83 2k3f s SER 120 Ca -0.08 0.59 0.14 0.00 0.48 0.00 0.00 55.95 57.08 2k3f s SER 120 Cb 0.13 0.66 1.00 0.00 0.10 0.00 0.00 66.02 67.91 2k3f s SER 120 CO 0.82 -0.26 1.91 0.25 0.98 0.00 0.00 173.24 176.94 2k3f h LEU 121 N 4.88 0.45 -1.03 2.42 5.85 -1.97 0.20 115.31 126.12 2k3f h LEU 121 Ca -0.28 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.71 2k3f h LEU 121 Cb 1.18 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 2k3f h LEU 121 CO 0.30 0.23 0.60 -0.33 -0.34 0.00 0.00 178.44 178.90 2k3f h GLU 122 N 0.47 0.57 -0.02 1.25 5.08 -1.98 0.52 114.58 120.47 2k3f h GLU 122 Ca 0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2k3f h GLU 122 Cb 0.82 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k3f h GLU 122 CO -0.14 0.38 -0.00 0.00 -1.00 0.00 0.00 179.01 178.25 2k3f h ALA 123 N 1.72 0.03 -0.75 3.43 0.00 -1.01 -2.90 119.26 119.77 2k3f h ALA 123 Ca 0.64 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.45 2k3f h ALA 123 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2k3f h ALA 123 CO -0.46 -0.29 0.49 0.00 0.00 0.00 0.00 179.25 178.99 2k3f h ALA 124 N 0.68 1.71 -0.77 0.00 0.00 -0.79 -1.12 119.26 118.98 2k3f h ALA 124 Ca 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2k3f h ALA 124 Cb 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2k3f h ALA 124 CO 0.00 0.16 0.50 0.52 0.00 0.00 0.00 179.25 180.44 2k3f h MET 125 N 0.76 0.58 -0.05 0.00 2.07 0.13 -1.54 114.93 116.88 2k3f h MET 125 Ca 0.33 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.92 2k3f h MET 125 Cb 0.31 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.91 2k3f h MET 125 CO -0.12 0.39 0.01 0.87 1.07 0.00 0.00 176.91 179.13 2k3f h LYS 126 N 0.60 0.08 0.05 1.72 6.56 -1.07 -1.17 116.57 123.34 2k3f h LYS 126 Ca 0.36 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.94 2k3f h LYS 126 Cb 0.59 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 2k3f h LYS 126 CO -0.13 0.28 -0.34 0.82 -2.06 0.00 0.00 179.45 178.02 2k3f h ILE 127 N -0.13 0.00 -0.16 1.86 2.04 -1.22 0.28 117.51 120.18 2k3f h ILE 127 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2k3f h ILE 127 Cb 0.24 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.25 2k3f h ILE 127 CO 0.00 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.20 2k3f h ILE 128 N -0.47 0.24 -0.66 -0.67 1.08 -1.42 0.72 117.51 116.34 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 0.48 0.24 -0.08 0.00 -3.07 0.00 0.00 36.82 34.39 2k3f h ILE 128 CO -0.20 0.00 0.24 -0.33 -0.69 0.00 0.00 178.15 177.17 2k3f h GLU 129 N -0.41 0.40 -0.14 2.37 5.08 -1.10 0.98 114.58 121.76 2k3f h GLU 129 Ca 0.10 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2k3f h GLU 129 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k3f h GLU 129 CO -0.38 0.26 -0.30 0.78 -1.00 0.00 0.00 179.01 178.36 2k3f h GLY 130 N 0.41 0.50 -0.36 -3.84 0.00 0.93 0.22 103.07 100.93 2k3f h GLY 130 Ca 0.34 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 47.11 2k3f h GLY 130 CO -0.35 0.54 -0.48 -0.84 0.00 0.00 0.00 176.54 175.41 2k3f h THR 131 N 0.07 0.00 -0.55 4.70 2.02 0.72 -0.20 112.91 119.67 2k3f h THR 131 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2k3f h THR 131 Cb 0.90 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.21 2k3f h THR 131 CO 0.07 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 2k3f h ALA 132 N -0.22 0.43 -0.39 6.16 0.00 -0.68 -1.27 119.26 123.28 2k3f h ALA 132 Ca 0.06 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2k3f h ALA 132 Cb 0.51 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 2k3f h ALA 132 CO -0.51 -0.42 -0.33 -0.22 0.00 0.00 0.00 179.25 177.77 2k3f h LYS 133 N 0.04 -0.25 -0.12 0.00 3.64 0.12 0.72 116.57 120.72 2k3f h LYS 133 Ca 0.27 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2k3f h LYS 133 Cb 0.42 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2k3f h LYS 133 CO -0.53 -0.17 -0.09 1.03 -2.27 0.00 0.00 179.45 177.42 2k3f h SER 134 N -0.26 0.16 -0.00 4.20 0.87 -0.44 -2.58 113.55 115.50 2k3f h SER 134 Ca 0.17 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2k3f h SER 134 Cb 0.54 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2k3f h SER 134 CO -0.53 0.28 0.00 0.23 -0.53 0.00 0.00 176.83 176.28 2k3f n MET 135 N -4.34 1.00 -0.77 2.24 2.81 -0.07 -4.81 117.12 113.19 2k3f n MET 135 Ca -0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2k3f n MET 135 Cb 0.22 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.62 0.78 3.70 3.03 0.00 -0.97 -4.88 105.19 107.47 2k3f n GLY 136 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.95 5.30 0.45 -0.61 1.01 0.05 -2.45 121.20 121.99 2k3f s ILE 137 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2k3f s ILE 137 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2k3f s ILE 137 CO 0.00 0.35 0.75 -0.70 0.00 0.00 0.00 174.94 175.34 2k3f s GLU 138 N 0.80 3.56 -0.08 2.79 2.12 -1.12 -3.13 118.70 123.63 2k3f s GLU 138 Ca 0.15 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.67 2k3f s GLU 138 Cb -0.13 -2.42 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2k3f s GLU 138 CO 0.04 -0.14 -0.21 0.14 -0.54 0.00 0.00 175.26 174.56 2k3f s VAL 139 N -2.64 2.41 -0.41 3.70 -7.23 -1.25 -2.35 120.40 112.62 2k3f s VAL 139 Ca 0.47 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.79 2k3f s VAL 139 Cb -0.10 -1.92 0.26 0.00 0.56 0.00 0.00 36.38 35.17 2k3f s VAL 139 CO 0.42 0.56 0.55 1.33 -0.31 0.00 0.00 175.10 177.66 2k3f n VAL 140 N 3.06 -0.45 -0.85 1.32 0.24 0.34 -4.86 118.33 117.13 2k3f n VAL 140 Ca -0.18 -4.13 0.00 0.00 -2.04 0.00 0.00 64.34 57.99 2k3f n VAL 140 Cb 0.52 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02