#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f s ALA 2 N 0.00 3.46 -0.20 -5.12 0.00 -1.26 -5.05 121.76 113.60 2k3f s ALA 2 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2k3f s ALA 2 Cb 0.00 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2k3f s ALA 2 CO 0.00 0.14 -0.03 0.15 0.00 0.00 0.00 175.76 176.02 2k3f s LYS 3 N -0.11 3.53 0.02 0.00 1.02 -1.26 -4.22 119.74 118.72 2k3f s LYS 3 Ca 0.32 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.75 2k3f s LYS 3 Cb -0.18 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2k3f s LYS 3 CO 0.18 -0.01 -0.03 0.21 -0.92 0.00 0.00 175.35 174.77 2k3f s LYS 4 N 1.02 0.28 0.14 1.68 2.47 -1.26 -4.94 119.74 119.13 2k3f s LYS 4 Ca 0.01 -0.42 -0.31 0.00 -1.56 0.00 0.00 55.97 53.69 2k3f s LYS 4 Cb -0.15 -0.07 -0.10 0.00 -1.46 0.00 0.00 37.83 36.05 2k3f s LYS 4 CO 0.01 0.01 1.75 0.08 0.16 0.00 0.00 175.35 177.35 2k3f s VAL 5 N -0.87 2.50 -0.16 4.02 1.01 -1.26 0.91 120.40 126.54 2k3f s VAL 5 Ca -0.08 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2k3f s VAL 5 Cb -0.06 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 2k3f s VAL 5 CO -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 175.10 174.97 2k3f n ALA 6 N 5.09 1.65 -3.41 5.51 0.00 0.34 -4.65 120.51 125.04 2k3f n ALA 6 Ca 0.17 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 2k3f n ALA 6 Cb 0.38 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.33 -1.31 -0.07 0.00 0.00 -0.28 -4.99 121.76 112.78 2k3f s ALA 7 Ca -0.21 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 2k3f s ALA 7 Cb 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2k3f s ALA 7 CO 0.39 -0.28 0.45 -0.65 0.00 0.00 0.00 175.76 175.67 2k3f s GLN 8 N -0.44 4.20 -0.64 0.00 -0.21 -1.26 0.24 119.66 121.55 2k3f s GLN 8 Ca -0.06 0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.80 2k3f s GLN 8 Cb -0.03 -3.36 0.16 0.00 1.00 0.00 0.00 33.01 30.78 2k3f s GLN 8 CO 0.04 0.35 0.42 0.42 -2.12 0.00 0.00 175.29 174.41 2k3f s ILE 9 N -0.01 2.63 -0.05 1.08 -1.09 0.22 -4.92 121.20 119.06 2k3f s ILE 9 Ca 0.25 -3.92 -0.30 0.00 -2.23 0.00 0.00 60.65 54.45 2k3f s ILE 9 Cb -0.16 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 2k3f s ILE 9 CO 0.11 -0.97 1.10 -0.54 -1.23 0.00 0.00 174.94 173.41 2k3f s LYS 10 N -1.05 4.42 -0.25 2.79 1.02 -1.26 -0.59 119.74 124.81 2k3f s LYS 10 Ca 0.23 1.54 -0.10 0.00 0.02 0.00 0.00 55.97 57.66 2k3f s LYS 10 Cb -0.09 -3.51 0.10 0.00 -0.52 0.00 0.00 37.83 33.80 2k3f s LYS 10 CO -0.13 -0.32 0.57 -1.17 -0.92 0.00 0.00 175.35 173.39 2k3f s LEU 11 N 1.83 -0.84 -0.20 3.17 2.96 -0.35 -4.96 118.68 120.29 2k3f s LEU 11 Ca 0.53 1.33 -0.24 0.00 -0.22 0.00 0.00 54.13 55.53 2k3f s LEU 11 Cb -0.22 1.97 -0.01 0.00 0.50 0.00 0.00 46.19 48.42 2k3f s LEU 11 CO 0.22 -0.22 0.80 -1.10 -1.32 0.00 0.00 176.35 174.73 2k3f s GLN 12 N 2.35 4.25 0.01 1.98 -0.21 -1.26 -1.90 119.66 124.87 2k3f s GLN 12 Ca -0.06 0.94 -0.01 0.00 0.02 0.00 0.00 55.36 56.25 2k3f s GLN 12 Cb -0.10 -3.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.30 2k3f s GLN 12 CO -0.17 -0.38 0.00 -0.51 -2.12 0.00 0.00 175.29 172.11 2k3f s LEU 13 N 2.36 2.06 0.08 2.90 1.43 0.25 -4.91 118.68 122.85 2k3f s LEU 13 Ca 0.36 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 2k3f s LEU 13 Cb -0.16 0.11 -0.08 0.00 0.03 0.00 0.00 46.19 46.09 2k3f s LEU 13 CO 0.10 -0.17 1.49 -2.84 0.23 0.00 0.00 176.35 175.17 2k3f s PRO 14 N -0.77 4.26 0.18 1.29 0.02 -1.23 0.13 135.00 138.88 2k3f s PRO 14 Ca -0.08 2.15 -0.32 0.00 0.02 0.00 0.00 61.00 62.77 2k3f s PRO 14 Cb -0.05 -3.42 -0.11 0.00 0.02 0.00 0.00 34.50 30.93 2k3f s PRO 14 CO -0.00 -0.58 1.66 0.00 -0.33 0.00 0.00 177.00 177.74 2k3f s ALA 15 N 1.90 3.86 0.00 -1.55 0.00 0.38 -0.46 121.76 125.89 2k3f s ALA 15 Ca 0.68 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2k3f s ALA 15 Cb -0.37 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2k3f s ALA 15 CO 0.30 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2k3f n GLY 16 N 3.89 1.37 2.59 0.00 0.00 -1.25 -0.34 105.19 111.45 2k3f n GLY 16 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2k3f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3f s LYS 17 N -0.10 0.25 -0.29 1.61 -0.14 0.39 -4.96 119.74 116.50 2k3f s LYS 17 Ca 0.00 -0.48 -0.20 0.00 -1.36 0.00 0.00 55.97 53.93 2k3f s LYS 17 Cb 0.00 -1.45 0.15 0.00 -1.68 0.00 0.00 37.83 34.84 2k3f s LYS 17 CO 0.00 -0.92 1.05 0.00 -0.76 0.00 0.00 175.35 174.72 2k3f s ALA 18 N 2.04 -2.20 0.00 5.17 0.00 -1.26 -3.54 121.76 121.97 2k3f s ALA 18 Ca 0.07 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2k3f s ALA 18 Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2k3f s ALA 18 CO -0.28 -0.29 0.00 -2.37 0.00 0.00 0.00 175.76 172.82 2k3f n THR 19 N 3.02 0.00 -3.86 0.00 5.66 -1.26 -4.61 114.28 113.23 2k3f n THR 19 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 2k3f n THR 19 Cb 0.57 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 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 3.83 0.00 1.09 0.04 -1.26 -4.74 135.00 133.96 2k3f s PRO 20 Ca 0.00 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2k3f s PRO 20 Cb 0.00 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2k3f s PRO 20 CO 0.00 0.02 0.00 0.00 0.04 0.00 0.00 177.00 177.06 2k3f n ALA 21 N 4.32 0.00 -0.20 8.56 0.00 -1.26 -3.42 120.51 128.51 2k3f n ALA 21 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 2k3f n ALA 21 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2k3f n ALA 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k3f n PRO 22 N 0.00 -0.16 0.00 0.00 -0.02 -1.26 0.17 135.00 133.73 2k3f n PRO 22 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2k3f n PRO 22 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2k3f n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k3f n PRO 23 N -4.69 0.00 0.01 0.52 -0.04 -1.22 -4.60 135.00 124.98 2k3f n PRO 23 Ca 0.03 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2k3f n PRO 23 Cb 0.17 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2k3f n PRO 23 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k3f h VAL 24 N 0.00 0.50 -0.01 0.52 2.07 -1.38 -2.75 116.25 115.19 2k3f h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k3f h VAL 24 Cb 0.00 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2k3f h VAL 24 CO 0.00 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.80 2k3f h GLY 25 N -0.27 -1.97 -0.22 2.17 0.00 0.16 -1.72 103.07 101.22 2k3f h GLY 25 Ca 0.09 0.85 0.13 0.00 0.00 0.00 0.00 47.33 48.40 2k3f h GLY 25 CO -0.26 -0.74 -0.13 -2.55 0.00 0.00 0.00 176.54 172.86 2k3f h PRO 26 N -0.01 0.02 0.00 4.80 0.11 -1.63 0.58 132.00 135.87 2k3f h PRO 26 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k3f h PRO 26 Cb 0.02 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2k3f h PRO 26 CO -0.02 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.78 2k3f n ALA 27 N -3.01 0.00 0.14 -0.75 0.00 -0.72 -2.75 120.51 113.43 2k3f n ALA 27 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2k3f n ALA 27 Cb 0.34 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.89 2k3f n ALA 27 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3f h LEU 28 N 0.00 0.00 -0.38 0.00 -0.00 -1.49 -3.34 115.31 110.09 2k3f h LEU 28 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 2k3f h LEU 28 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2k3f h LEU 28 CO 0.00 0.60 -0.36 1.23 -0.00 0.00 0.00 178.44 179.91 2k3f h GLY 29 N 2.69 1.00 1.99 0.17 0.00 -0.98 -1.51 103.07 106.42 2k3f h GLY 29 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.31 2k3f h GLY 29 CO 0.08 0.91 0.01 -1.61 0.00 0.00 0.00 176.54 175.93 2k3f h GLN 30 N 0.73 0.00 -0.78 4.80 4.15 -1.18 0.34 115.11 123.16 2k3f h GLN 30 Ca 0.06 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 2k3f h GLN 30 Cb 0.95 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.51 2k3f h GLN 30 CO 0.09 0.00 0.28 0.72 -1.93 0.00 0.00 178.83 177.99 2k3f n HIS 31 N -3.00 2.41 -0.46 3.99 8.25 -0.61 -4.87 115.22 120.93 2k3f n HIS 31 Ca -0.03 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.25 2k3f n HIS 31 Cb 0.07 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.50 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 -0.16 0.89 3.83 -1.41 0.00 0.12 -4.87 105.19 103.59 2k3f n GLY 32 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.01 4.53 -0.69 1.61 1.01 -0.96 -4.91 120.40 117.99 2k3f s VAL 33 Ca 0.00 1.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 2k3f s VAL 33 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2k3f s VAL 33 CO 0.00 -0.14 2.01 0.20 0.00 0.00 0.00 175.10 177.17 2k3f s ASN 34 N -2.09 5.01 0.31 3.32 -0.87 -1.26 -4.08 114.94 115.28 2k3f s ASN 34 Ca 0.55 0.15 0.06 0.00 -1.57 0.00 0.00 52.86 52.05 2k3f s ASN 34 Cb -0.12 -2.53 0.73 0.00 -0.02 0.00 0.00 41.25 39.31 2k3f s ASN 34 CO 0.17 -2.67 1.81 0.40 -2.57 0.00 0.00 177.10 174.24 2k3f h ILE 35 N 7.17 0.77 0.03 0.60 1.08 -1.93 0.34 117.51 125.57 2k3f h ILE 35 Ca -0.14 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2k3f h ILE 35 Cb 1.12 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2k3f h ILE 35 CO 1.19 0.14 -0.01 0.24 -0.69 0.00 0.00 178.15 179.02 2k3f h MET 36 N 0.79 -0.04 -0.99 2.37 2.86 -1.88 0.59 114.93 118.63 2k3f h MET 36 Ca 0.54 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.22 2k3f h MET 36 Cb 0.80 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 2k3f h MET 36 CO -0.32 0.27 0.65 1.49 1.06 0.00 0.00 176.91 180.07 2k3f h GLU 37 N -0.35 1.20 0.46 1.72 4.81 -1.77 0.49 114.58 121.14 2k3f h GLU 37 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2k3f h GLU 37 Cb 0.33 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2k3f h GLU 37 CO 0.01 0.79 -0.41 0.35 -0.73 0.00 0.00 179.01 179.02 2k3f h PHE 38 N 1.24 -1.12 0.02 0.92 3.57 -0.15 -1.58 116.94 119.85 2k3f h PHE 38 Ca 0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2k3f h PHE 38 Cb 0.04 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k3f h PHE 38 CO -0.00 -0.58 -0.03 0.00 -2.23 0.00 0.00 178.31 175.47 2k3f h LYS 40 N -0.06 0.00 0.14 0.00 3.64 -0.10 0.49 116.57 120.68 2k3f h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k3f h LYS 40 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k3f h LYS 40 CO -0.01 0.04 -0.07 0.00 -2.27 0.00 0.00 179.45 177.14 2k3f h ARG 41 N 0.00 -0.18 -0.66 1.90 3.08 -0.19 -3.17 114.38 115.15 2k3f h ARG 41 Ca -0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2k3f h ARG 41 Cb 0.35 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 2k3f h ARG 41 CO 0.00 -0.12 0.27 0.35 -1.07 0.00 0.00 179.97 179.40 2k3f h PHE 42 N -0.49 0.47 0.22 3.04 3.57 0.40 0.20 116.94 124.35 2k3f h PHE 42 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k3f h PHE 42 Cb 0.15 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2k3f h PHE 42 CO 0.04 0.12 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.22 2k3f h ASN 43 N 0.46 -0.29 -0.80 0.41 -0.26 -1.09 0.30 115.58 114.31 2k3f h ASN 43 Ca 0.34 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 56.05 2k3f h ASN 43 Cb 0.42 0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.73 2k3f h ASN 43 CO -0.32 -0.20 0.32 0.00 -1.06 0.00 0.00 177.43 176.17 2k3f h ALA 44 N 0.47 1.04 -0.43 -0.83 0.00 -1.22 -1.37 119.26 116.91 2k3f h ALA 44 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2k3f h ALA 44 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k3f h ALA 44 CO 0.03 0.67 -0.12 0.93 0.00 0.00 0.00 179.25 180.76 2k3f h GLU 45 N 1.17 0.85 -0.16 0.00 5.08 -0.69 -3.11 114.58 117.72 2k3f h GLU 45 Ca 0.27 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k3f h GLU 45 Cb 0.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k3f h GLU 45 CO -0.02 0.97 0.00 0.25 -1.00 0.00 0.00 179.01 179.20 2k3f n THR 46 N -4.27 0.20 -0.31 1.13 -2.24 0.10 -4.18 114.28 104.72 2k3f n THR 46 Ca -0.01 -0.32 0.15 0.00 -2.27 0.00 0.00 64.05 61.60 2k3f n THR 46 Cb 0.38 0.31 0.33 0.00 -2.10 0.00 0.00 70.33 69.25 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 3.99 1.48 -0.24 6.98 0.00 -1.18 -0.12 119.26 130.17 2k3f h ALA 47 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k3f h ALA 47 Cb 0.44 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k3f h ALA 47 CO 0.00 -0.40 0.15 0.22 0.00 0.00 0.00 179.25 179.22 2k3f h ASP 48 N 0.35 0.25 -0.70 0.00 3.58 -1.84 -3.05 116.42 115.01 2k3f h ASP 48 Ca 0.59 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.83 2k3f h ASP 48 Cb 1.16 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 42.04 2k3f h ASP 48 CO -0.57 0.18 0.24 0.29 -2.88 0.00 0.00 179.24 176.50 2k3f n LYS 49 N -4.94 3.68 -1.61 0.28 5.02 -0.19 -4.99 118.16 115.41 2k3f n LYS 49 Ca -0.02 -3.09 -0.40 0.00 -2.02 0.00 0.00 58.31 52.77 2k3f n LYS 49 Cb 0.04 -2.19 0.02 0.00 -0.02 0.00 0.00 35.03 32.87 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 -0.18 0.18 -0.18 7.82 0.00 -0.40 -3.44 120.51 124.31 2k3f n ALA 50 Ca 0.39 0.18 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2k3f n ALA 50 Cb 1.35 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.21 0.89 2.83 0.00 0.00 0.54 -4.94 105.19 105.72 2k3f n GLY 51 Ca 0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.51 0.02 -0.79 1.61 1.00 -1.22 -4.90 119.30 114.50 2k3f s MET 52 Ca 0.00 0.34 -0.25 0.00 0.00 0.00 0.00 55.69 55.78 2k3f s MET 52 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 34.83 34.50 2k3f s MET 52 CO 0.00 -0.21 2.12 0.42 0.00 0.00 0.00 175.02 177.36 2k3f s ILE 53 N 1.42 3.26 -0.04 2.53 -1.09 -1.26 0.14 121.20 126.17 2k3f s ILE 53 Ca -0.06 -0.15 -0.26 0.00 -2.23 0.00 0.00 60.65 57.95 2k3f s ILE 53 Cb -0.12 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2k3f s ILE 53 CO -0.05 -0.57 0.83 -0.76 -1.23 0.00 0.00 174.94 173.17 2k3f s LEU 54 N 11.64 4.34 -0.33 2.97 1.43 0.34 -4.77 118.68 134.30 2k3f s LEU 54 Ca 0.79 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 2k3f s LEU 54 Cb -0.10 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 2k3f s LEU 54 CO 0.07 -0.19 1.58 -2.84 0.23 0.00 0.00 176.35 175.20 2k3f s PRO 55 N 0.93 3.57 0.12 1.29 0.02 -1.26 -0.58 135.00 139.09 2k3f s PRO 55 Ca 0.44 1.29 0.02 0.00 0.02 0.00 0.00 61.00 62.77 2k3f s PRO 55 Cb -0.19 -4.08 -0.04 0.00 0.02 0.00 0.00 34.50 30.22 2k3f s PRO 55 CO 0.22 -1.57 0.26 0.54 -0.33 0.00 0.00 177.00 176.12 2k3f s VAL 56 N 5.80 5.33 -0.12 3.83 0.11 -0.80 -0.64 120.40 133.91 2k3f s VAL 56 Ca 0.69 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2k3f s VAL 56 Cb -0.19 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2k3f s VAL 56 CO 0.32 -0.03 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.37 2k3f s VAL 57 N -1.68 0.55 -0.07 2.04 1.01 -0.52 -1.21 120.40 120.52 2k3f s VAL 57 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 2k3f s VAL 57 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2k3f s VAL 57 CO 0.28 0.13 -0.01 -0.63 0.00 0.00 0.00 175.10 174.87 2k3f s ILE 58 N 1.89 4.20 -0.33 2.22 1.01 0.24 -0.67 121.20 129.76 2k3f s ILE 58 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2k3f s ILE 58 Cb -0.14 -2.78 0.10 0.00 0.01 0.00 0.00 42.46 39.65 2k3f s ILE 58 CO -0.07 0.56 0.05 -0.89 0.00 0.00 0.00 174.94 174.60 2k3f s THR 59 N -0.91 1.86 -0.02 2.92 2.01 0.99 0.72 115.64 123.21 2k3f s THR 59 Ca 0.14 -2.03 -0.17 0.00 0.31 0.00 0.00 61.69 59.95 2k3f s THR 59 Cb -0.11 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2k3f s THR 59 CO 0.04 -0.59 0.47 0.54 -0.69 0.00 0.00 174.62 174.39 2k3f s VAL 60 N 1.12 5.02 0.55 3.82 0.11 0.14 -2.51 120.40 128.65 2k3f s VAL 60 Ca 0.09 0.96 0.04 0.00 -2.93 0.00 0.00 61.98 60.15 2k3f s VAL 60 Cb -0.19 -3.79 0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2k3f s VAL 60 CO -0.13 0.49 0.76 -0.31 -3.33 0.00 0.00 175.10 172.58 2k3f s TYR 61 N -0.50 2.42 0.66 1.54 2.02 0.26 0.13 117.35 123.87 2k3f s TYR 61 Ca 0.26 -0.26 0.38 0.00 -0.37 0.00 0.00 57.07 57.08 2k3f s TYR 61 Cb -0.17 -2.62 2.06 0.00 -0.40 0.00 0.00 41.96 40.83 2k3f s TYR 61 CO 0.14 -0.94 2.18 0.93 -1.57 0.00 0.00 175.55 176.29 2k3f h GLU 62 N 0.13 0.00 0.00 -0.62 5.08 0.26 0.14 114.58 119.56 2k3f h GLU 62 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 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 0.47 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.70 2k3f h ASP 63 N 0.00 0.00 0.00 1.42 1.82 -1.82 -3.46 116.42 114.38 2k3f h ASP 63 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k3f h ASP 63 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2k3f h ASP 63 CO -0.00 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 177.92 2k3f n LYS 64 N -2.78 0.00 -0.97 0.28 5.02 0.47 -4.97 118.16 115.22 2k3f n LYS 64 Ca 0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 2k3f n LYS 64 Cb 0.35 -1.86 0.24 0.00 -0.02 0.00 0.00 35.03 33.74 2k3f n LYS 64 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k3f s SER 65 N -3.31 0.85 0.15 4.39 0.15 -1.25 -4.30 113.70 110.38 2k3f s SER 65 Ca 0.00 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 2k3f s SER 65 Cb 0.00 -1.11 0.05 0.00 -1.71 0.00 0.00 66.02 63.25 2k3f s SER 65 CO 0.00 -4.18 0.69 2.22 1.20 0.00 0.00 173.24 173.17 2k3f n PHE 66 N -4.82 -1.27 -3.48 3.44 -1.74 -1.26 -0.58 117.46 107.75 2k3f n PHE 66 Ca 0.11 -0.96 -0.10 0.00 -0.56 0.00 0.00 57.45 55.94 2k3f n PHE 66 Cb 0.59 0.47 -0.02 0.00 1.52 0.00 0.00 39.48 42.04 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 -2.25 0.00 0.10 1.97 -4.23 -1.04 -4.95 115.64 105.24 2k3f s THR 67 Ca 0.15 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.32 2k3f s THR 67 Cb -0.02 -1.10 0.07 0.00 1.34 0.00 0.00 72.50 72.79 2k3f s THR 67 CO 0.05 0.00 0.65 0.72 -0.54 0.00 0.00 174.62 175.50 2k3f s PHE 68 N -3.58 -0.53 0.36 3.99 -0.71 -1.26 -0.01 117.98 116.23 2k3f s PHE 68 Ca 0.03 0.45 0.09 0.00 -1.04 0.00 0.00 56.93 56.46 2k3f s PHE 68 Cb -0.01 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.26 2k3f s PHE 68 CO -0.10 -0.77 -0.07 0.96 -1.34 0.00 0.00 175.22 173.90 2k3f s ILE 69 N -3.21 2.20 -0.14 -4.49 -4.36 0.15 -4.93 121.20 106.41 2k3f s ILE 69 Ca -0.01 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2k3f s ILE 69 Cb -0.01 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 41.00 2k3f s ILE 69 CO -0.09 -0.16 -0.13 -0.63 0.24 0.00 0.00 174.94 174.17 2k3f s ILE 70 N -2.63 1.51 -1.08 8.37 -1.09 -1.26 -1.44 121.20 123.59 2k3f s ILE 70 Ca 0.33 -0.60 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 2k3f s ILE 70 Cb 0.04 -1.43 0.03 0.00 -1.58 0.00 0.00 42.46 39.52 2k3f s ILE 70 CO 0.17 0.44 1.65 -0.54 -1.23 0.00 0.00 174.94 175.43 2k3f s LYS 71 N 1.51 3.40 0.23 2.79 -0.14 0.19 -4.79 119.74 122.93 2k3f s LYS 71 Ca 0.05 -1.18 0.21 0.00 -1.36 0.00 0.00 55.97 53.69 2k3f s LYS 71 Cb -0.13 -5.34 0.93 0.00 -1.68 0.00 0.00 37.83 31.61 2k3f s LYS 71 CO -0.10 -2.58 1.64 -2.37 -0.76 0.00 0.00 175.35 171.17 2k3f n THR 72 N 7.03 0.94 -0.27 2.17 5.66 -1.26 -4.13 114.28 124.42 2k3f n THR 72 Ca 0.39 0.34 0.02 0.00 -3.05 0.00 0.00 64.05 61.75 2k3f n THR 72 Cb 0.49 -1.26 0.07 0.00 -1.55 0.00 0.00 70.33 68.08 2k3f n THR 72 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2k3f n PRO 73 N -2.12 -0.12 -1.74 1.09 -0.01 -1.26 -4.13 135.00 126.71 2k3f n PRO 73 Ca 0.02 1.14 -0.43 0.00 -0.01 0.00 0.00 63.50 64.22 2k3f n PRO 73 Cb 0.18 -1.70 -0.03 0.00 -0.01 0.00 0.00 33.50 31.93 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 2k3f s PRO 74 N -5.82 3.38 0.00 0.52 0.02 -1.26 -4.82 135.00 127.02 2k3f s PRO 74 Ca -0.11 1.97 0.20 0.00 0.02 0.00 0.00 61.00 63.09 2k3f s PRO 74 Cb 0.18 -4.28 1.19 0.00 0.02 0.00 0.00 34.50 31.61 2k3f s PRO 74 CO 0.55 -1.81 1.77 0.00 -0.33 0.00 0.00 177.00 177.18 2k3f n ALA 75 N 10.50 2.62 -0.22 -1.55 0.00 -1.26 -3.86 120.51 126.75 2k3f n ALA 75 Ca 0.26 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2k3f n ALA 75 Cb 0.45 -1.32 0.36 0.00 0.00 0.00 0.00 19.45 18.94 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 0.08 0.66 0.53 0.00 0.02 -1.91 -0.37 113.55 112.57 2k3f h SER 76 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2k3f h SER 76 Cb 0.02 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k3f h SER 76 CO 0.00 0.39 -0.26 -0.26 -1.14 0.00 0.00 176.83 175.57 2k3f h PHE 77 N 0.73 -0.66 0.00 3.45 0.04 -1.95 0.64 116.94 119.19 2k3f h PHE 77 Ca 0.37 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.07 2k3f h PHE 77 Cb 0.45 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 2k3f h PHE 77 CO -0.00 -0.34 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.05 2k3f h LEU 78 N -0.99 0.00 0.00 1.54 -0.00 -1.80 -0.40 115.31 113.66 2k3f h LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2k3f h LEU 78 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2k3f h LEU 78 CO 0.12 0.26 -0.21 0.18 -0.00 0.00 0.00 178.44 178.79 2k3f n LEU 79 N -3.33 0.63 0.32 1.67 4.77 -0.16 -2.19 117.00 118.72 2k3f n LEU 79 Ca 0.01 0.43 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 2k3f n LEU 79 Cb 0.50 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2k3f n LEU 79 CO 0.35 -0.10 0.53 0.11 -1.33 0.00 0.00 177.39 176.95 2k3f h LYS 80 N 0.00 -0.97 -0.38 3.23 1.79 0.93 -0.19 116.57 120.98 2k3f h LYS 80 Ca 0.00 0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2k3f h LYS 80 Cb 0.69 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 2k3f h LYS 80 CO 0.00 -0.65 0.13 -0.22 -1.08 0.00 0.00 179.45 177.63 2k3f h LYS 81 N -1.01 0.58 0.74 3.15 3.64 -1.62 0.29 116.57 122.34 2k3f h LYS 81 Ca -0.08 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2k3f h LYS 81 Cb 0.85 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2k3f h LYS 81 CO 0.00 0.58 -0.36 0.00 -2.27 0.00 0.00 179.45 177.41 2k3f h ALA 82 N 0.98 -0.99 -0.21 5.00 0.00 -1.41 -2.58 119.26 120.05 2k3f h ALA 82 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2k3f h ALA 82 Cb 0.23 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k3f h ALA 82 CO -0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 179.25 177.99 2k3f h ALA 83 N -0.88 1.21 0.00 0.00 0.00 -1.13 -3.43 119.26 115.04 2k3f h ALA 83 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k3f h ALA 83 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k3f h ALA 83 CO 0.17 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2k3f n GLY 84 N -0.48 0.72 3.73 0.00 0.00 0.94 -3.77 105.19 106.33 2k3f n GLY 84 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.68 2.90 0.00 -0.61 -4.36 -0.75 -4.94 121.20 110.76 2k3f s ILE 85 Ca 0.00 0.29 0.11 0.00 -0.26 0.00 0.00 60.65 60.79 2k3f s ILE 85 Cb 0.00 -2.70 0.18 0.00 1.25 0.00 0.00 42.46 41.19 2k3f s ILE 85 CO 0.00 -0.38 1.02 -0.62 0.24 0.00 0.00 174.94 175.19 2k3f n GLU 86 N -3.78 0.00 0.00 0.37 1.02 -1.26 -4.66 120.64 112.32 2k3f n GLU 86 Ca 0.09 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 2k3f n GLU 86 Cb 0.54 0.11 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 2k3f n GLU 86 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2k3f n LYS 87 N 0.21 0.00 0.00 3.49 2.85 -1.26 -5.14 118.16 118.30 2k3f n LYS 87 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2k3f n LYS 87 Cb 0.86 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.24 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k3f n GLY 88 N -0.27 0.50 3.15 2.58 0.00 -1.26 -4.73 105.19 105.15 2k3f n GLY 88 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.00 -1.54 -0.47 1.61 0.15 -1.16 -4.53 113.70 103.76 2k3f s SER 89 Ca 0.00 0.28 -0.28 0.00 0.70 0.00 0.00 55.95 56.65 2k3f s SER 89 Cb 0.00 2.02 -0.01 0.00 -1.71 0.00 0.00 66.02 66.32 2k3f s SER 89 CO 0.00 -0.28 1.70 -0.94 1.20 0.00 0.00 173.24 174.92 2k3f s SER 90 N 2.84 5.78 0.00 5.45 1.04 -1.26 -3.79 113.70 123.76 2k3f s SER 90 Ca 0.12 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2k3f s SER 90 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2k3f s SER 90 CO -0.25 -1.90 0.00 1.21 0.98 0.00 0.00 173.24 173.28 2k3f n GLU 91 N 8.67 0.00 -2.75 4.02 2.13 -1.26 -4.96 120.64 126.50 2k3f n GLU 91 Ca 0.19 0.44 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 2k3f n GLU 91 Cb 0.49 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.33 2k3f n GLU 91 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2k3f n PRO 92 N 0.01 3.40 -3.64 5.31 -0.04 -1.25 -4.78 135.00 134.01 2k3f n PRO 92 Ca 0.00 -3.69 -0.09 0.00 -0.04 0.00 0.00 63.50 59.68 2k3f n PRO 92 Cb 0.00 -3.07 -0.07 0.00 -0.04 0.00 0.00 33.50 30.33 2k3f n PRO 92 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k3f s LYS 93 N 1.59 0.59 0.00 0.54 2.47 -1.26 -4.81 119.74 118.86 2k3f s LYS 93 Ca 0.43 0.76 0.00 0.00 -1.56 0.00 0.00 55.97 55.60 2k3f s LYS 93 Cb 0.01 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 2k3f s LYS 93 CO 0.01 -0.08 0.00 0.54 0.16 0.00 0.00 175.35 175.98 2k3f n ARG 94 N 2.71 0.00 0.04 4.03 1.74 -1.26 -4.44 116.66 119.49 2k3f n ARG 94 Ca -0.14 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.92 2k3f n ARG 94 Cb 0.56 -0.09 -0.01 0.00 -1.02 0.00 0.00 32.46 31.90 2k3f n ARG 94 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k3f h LYS 95 N 0.00 -0.12 -5.87 5.56 1.79 -1.93 -3.49 116.57 112.50 2k3f h LYS 95 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k3f h LYS 95 Cb 0.00 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2k3f h LYS 95 CO 0.00 -0.08 -0.89 -0.89 -1.08 0.00 0.00 179.45 176.51 2k3f n ILE 96 N -2.71 -5.61 -0.20 1.86 5.41 -1.26 -4.86 119.36 111.98 2k3f n ILE 96 Ca -0.02 1.01 -0.12 0.00 1.00 0.00 0.00 62.75 64.62 2k3f n ILE 96 Cb 0.05 -4.32 -0.08 0.00 -0.71 0.00 0.00 39.64 34.58 2k3f n ILE 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 2k3f h VAL 97 N 3.76 0.02 -2.08 1.39 3.04 -1.54 -3.47 116.25 117.37 2k3f h VAL 97 Ca -0.06 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.88 2k3f h VAL 97 Cb 0.60 0.02 -0.08 0.00 -2.01 0.00 0.00 31.29 29.82 2k3f h VAL 97 CO 0.03 0.00 0.68 -0.83 -1.01 0.00 0.00 177.57 176.44 2k3f s GLY 98 N -2.52 -0.18 0.36 3.17 0.00 -1.26 -5.06 107.32 101.84 2k3f s GLY 98 Ca -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 2k3f s GLY 98 CO 0.63 1.45 0.55 0.58 0.00 0.00 0.00 173.10 176.31 2k3f n LYS 99 N -0.60 0.79 0.00 2.90 0.00 -1.25 -2.49 118.16 117.52 2k3f n LYS 99 Ca -0.05 -2.74 0.00 0.00 -0.00 0.00 0.00 58.31 55.52 2k3f n LYS 99 Cb 0.61 2.75 0.00 0.00 -0.00 0.00 0.00 35.03 38.39 2k3f n LYS 99 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k3f n VAL 100 N -0.58 0.00 -3.61 0.58 0.24 -0.65 -4.16 118.33 110.14 2k3f n VAL 100 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2k3f n VAL 100 Cb 0.60 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.03 0.00 0.34 3.34 -1.32 -1.26 0.70 115.64 117.48 2k3f s THR 101 Ca 0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2k3f s THR 101 Cb 0.00 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 2k3f s THR 101 CO 0.00 0.00 1.60 -0.09 -2.21 0.00 0.00 174.62 173.92 2k3f h ARG 102 N 3.92 0.09 -0.36 7.08 9.65 -1.78 0.10 114.38 133.08 2k3f h ARG 102 Ca -0.26 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2k3f h ARG 102 Cb 1.17 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2k3f h ARG 102 CO 0.16 0.06 0.24 -0.22 2.80 0.00 0.00 179.97 183.01 2k3f h LYS 103 N 0.09 0.47 -0.44 0.20 1.63 -1.96 -0.86 116.57 115.70 2k3f h LYS 103 Ca 0.74 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.51 2k3f h LYS 103 Cb 1.77 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.28 2k3f h LYS 103 CO -0.76 0.31 0.29 1.96 -3.45 0.00 0.00 179.45 177.80 2k3f h GLN 104 N 0.48 0.58 -0.80 1.90 7.50 -1.23 -1.01 115.11 122.53 2k3f h GLN 104 Ca 0.13 -0.04 0.14 0.00 0.50 0.00 0.00 58.65 59.39 2k3f h GLN 104 Cb -0.05 -0.13 -0.14 0.00 0.05 0.00 0.00 27.48 27.21 2k3f h GLN 104 CO -0.03 0.39 -0.31 0.82 -1.50 0.00 0.00 178.83 178.19 2k3f h ILE 105 N 0.59 0.11 -0.11 2.54 1.08 -1.03 -2.39 117.51 118.31 2k3f h ILE 105 Ca 0.16 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.65 2k3f h ILE 105 Cb -0.06 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 33.75 2k3f h ILE 105 CO -0.03 0.00 -0.45 -0.08 -0.69 0.00 0.00 178.15 176.90 2k3f h GLU 106 N -0.06 -0.46 -0.45 2.37 4.81 0.18 0.59 114.58 121.56 2k3f h GLU 106 Ca 0.32 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.63 2k3f h GLU 106 Cb 0.59 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2k3f h GLU 106 CO -0.84 -0.31 0.19 0.93 -0.73 0.00 0.00 179.01 178.25 2k3f h GLU 107 N -0.48 0.37 0.19 1.92 5.08 -1.21 0.52 114.58 120.98 2k3f h GLU 107 Ca 0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2k3f h GLU 107 Cb 0.56 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2k3f h GLU 107 CO -0.36 0.24 -0.46 0.82 -1.00 0.00 0.00 179.01 178.26 2k3f h ILE 108 N 0.38 0.10 -0.99 3.13 2.04 -1.19 -0.90 117.51 120.08 2k3f h ILE 108 Ca 0.20 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.36 2k3f h ILE 108 Cb 0.16 0.10 -0.14 0.00 -0.74 0.00 0.00 36.82 36.20 2k3f h ILE 108 CO -0.18 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.50 2k3f h ALA 109 N -0.37 1.84 -0.02 1.87 0.00 0.23 -2.14 119.26 120.66 2k3f h ALA 109 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2k3f h ALA 109 Cb 0.73 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k3f h ALA 109 CO -0.22 -0.51 -0.09 0.87 0.00 0.00 0.00 179.25 179.30 2k3f h LYS 110 N 0.35 0.10 -0.89 0.00 1.57 0.40 -2.49 116.57 115.62 2k3f h LYS 110 Ca 0.70 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.47 2k3f h LYS 110 Cb 1.53 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.79 2k3f h LYS 110 CO -0.59 0.73 0.58 0.00 -0.57 0.00 0.00 179.45 179.60 2k3f h THR 111 N -0.51 1.05 -0.45 -0.16 1.03 -0.53 -2.10 112.91 111.24 2k3f h THR 111 Ca -0.01 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 2k3f h THR 111 Cb 0.75 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.80 2k3f h THR 111 CO 0.02 0.18 0.00 2.29 -0.01 0.00 0.00 175.52 178.00 2k3f n LYS 112 N -4.50 2.45 -0.34 0.00 2.85 -0.99 -4.38 118.16 113.26 2k3f n LYS 112 Ca 0.14 -2.20 0.16 0.00 -1.05 0.00 0.00 58.31 55.36 2k3f n LYS 112 Cb 0.22 -1.51 0.39 0.00 -0.65 0.00 0.00 35.03 33.48 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 4.09 0.60 -0.16 -1.58 4.05 -0.89 0.13 114.93 121.17 2k3f h MET 113 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2k3f h MET 113 Cb 0.91 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 2k3f h MET 113 CO 0.00 0.40 0.04 -1.00 0.23 0.00 0.00 176.91 176.58 2k3f h PRO 114 N 0.62 0.22 0.00 0.39 0.13 -1.80 -3.32 132.00 128.25 2k3f h PRO 114 Ca 0.59 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 65.47 2k3f h PRO 114 Cb 1.11 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2k3f h PRO 114 CO -0.37 0.21 -1.44 -0.25 -0.23 0.00 0.00 178.00 175.93 2k3f n ASP 115 N -4.44 1.88 -3.35 1.44 8.00 -0.22 -5.00 116.55 114.86 2k3f n ASP 115 Ca -0.01 0.43 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 2k3f n ASP 115 Cb 0.13 -0.89 0.18 0.00 -0.02 0.00 0.00 41.12 40.53 2k3f n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3f n LEU 116 N -4.42 0.00 -2.70 0.64 -0.00 0.29 -4.87 117.00 105.93 2k3f n LEU 116 Ca -0.32 -0.96 -0.34 0.00 -0.00 0.00 0.00 56.01 54.40 2k3f n LEU 116 Cb 0.64 -0.77 0.01 0.00 -0.00 0.00 0.00 43.42 43.30 2k3f n LEU 116 CO 0.13 -1.68 1.54 0.59 -0.00 0.00 0.00 177.39 177.97 2k3f n ASN 117 N -4.19 7.15 0.00 1.45 4.13 -1.26 -4.82 115.26 117.72 2k3f n ASN 117 Ca 0.12 -3.59 0.00 0.00 1.68 0.00 0.00 54.58 52.79 2k3f n ASN 117 Cb 0.45 -1.12 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3f n ALA 118 N -0.05 0.00 0.00 5.41 0.00 -1.26 -4.76 120.51 119.85 2k3f n ALA 118 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2k3f n ALA 118 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2k3f n ALA 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k3f n ASN 119 N 0.00 0.00 -4.84 0.00 2.85 -1.26 -4.68 115.26 107.33 2k3f n ASN 119 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 2k3f n ASN 119 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2k3f s SER 120 N -3.37 6.83 0.41 1.20 0.15 -1.26 -4.97 113.70 112.69 2k3f s SER 120 Ca 0.00 1.23 0.12 0.00 0.70 0.00 0.00 55.95 58.00 2k3f s SER 120 Cb 0.00 -2.35 0.94 0.00 -1.71 0.00 0.00 66.02 62.90 2k3f s SER 120 CO 0.00 -0.08 1.96 0.25 1.20 0.00 0.00 173.24 176.57 2k3f h LEU 121 N 2.78 0.47 -0.98 3.45 5.85 -1.96 -0.61 115.31 124.31 2k3f h LEU 121 Ca -0.48 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.50 2k3f h LEU 121 Cb 1.18 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 2k3f h LEU 121 CO 0.66 0.28 0.56 -0.33 -0.34 0.00 0.00 178.44 179.27 2k3f h GLU 122 N 0.52 0.53 -0.10 1.25 5.08 -1.97 0.57 114.58 120.46 2k3f h GLU 122 Ca 0.31 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2k3f h GLU 122 Cb 0.52 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k3f h GLU 122 CO -0.10 0.35 -0.07 0.00 -1.00 0.00 0.00 179.01 178.19 2k3f h ALA 123 N 1.73 0.14 -0.98 3.43 0.00 -1.43 -2.49 119.26 119.67 2k3f h ALA 123 Ca 0.63 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.34 2k3f h ALA 123 Cb 1.21 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2k3f h ALA 123 CO -0.49 -0.05 0.63 0.00 0.00 0.00 0.00 179.25 179.33 2k3f h ALA 124 N 0.60 1.38 -0.99 0.00 0.00 -0.52 -0.30 119.26 119.42 2k3f h ALA 124 Ca 0.02 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2k3f h ALA 124 Cb 0.57 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2k3f h ALA 124 CO 0.02 0.38 0.61 0.52 0.00 0.00 0.00 179.25 180.78 2k3f h MET 125 N 1.11 0.87 -0.24 0.00 2.07 0.14 -0.01 114.93 118.87 2k3f h MET 125 Ca 0.43 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 57.94 2k3f h MET 125 Cb 0.22 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2k3f h MET 125 CO -0.19 0.57 -0.11 0.87 1.07 0.00 0.00 176.91 179.12 2k3f h LYS 126 N 0.89 0.50 -0.01 1.72 1.79 -0.64 0.88 116.57 121.70 2k3f h LYS 126 Ca 0.52 -0.22 0.01 0.00 -2.18 0.00 0.00 60.65 58.79 2k3f h LYS 126 Cb 0.63 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2k3f h LYS 126 CO -0.31 0.76 -0.27 0.82 -1.08 0.00 0.00 179.45 179.37 2k3f h ILE 127 N 0.21 0.00 -0.12 1.86 2.04 -0.08 0.96 117.51 122.39 2k3f h ILE 127 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2k3f h ILE 127 Cb 0.61 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2k3f h ILE 127 CO 0.03 0.00 -0.38 0.40 0.00 0.00 0.00 178.15 178.21 2k3f h ILE 128 N -0.33 0.21 -0.85 -0.67 1.08 -1.00 0.97 117.51 116.91 2k3f h ILE 128 Ca 0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.55 2k3f h ILE 128 Cb 0.36 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 34.25 2k3f h ILE 128 CO -0.18 0.00 0.52 1.05 -0.69 0.00 0.00 178.15 178.85 2k3f h GLU 129 N -0.46 0.89 -0.05 2.37 4.11 -0.79 0.38 114.58 121.04 2k3f h GLU 129 Ca 0.08 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.41 2k3f h GLU 129 Cb 0.60 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k3f h GLU 129 CO -0.37 0.59 -0.17 0.78 0.07 0.00 0.00 179.01 179.91 2k3f h GLY 130 N 0.92 0.22 -0.30 1.06 0.00 0.05 0.40 103.07 105.41 2k3f h GLY 130 Ca 0.39 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2k3f h GLY 130 CO -0.20 0.26 -0.46 -0.84 0.00 0.00 0.00 176.54 175.31 2k3f h THR 131 N -0.35 0.00 -0.68 4.70 2.02 0.12 0.13 112.91 118.85 2k3f h THR 131 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 2k3f h THR 131 Cb 0.81 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.10 2k3f h THR 131 CO 0.04 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.94 2k3f h ALA 132 N -0.31 0.70 -0.39 6.16 0.00 -0.16 -0.99 119.26 124.27 2k3f h ALA 132 Ca 0.05 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2k3f h ALA 132 Cb 0.50 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 2k3f h ALA 132 CO -0.47 -0.40 -0.31 -0.22 0.00 0.00 0.00 179.25 177.85 2k3f h LYS 133 N 0.12 -0.24 0.00 0.00 3.64 0.65 0.85 116.57 121.60 2k3f h LYS 133 Ca 0.36 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.69 2k3f h LYS 133 Cb 0.61 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2k3f h LYS 133 CO -0.58 -0.16 -0.32 0.77 -2.27 0.00 0.00 179.45 176.89 2k3f h SER 134 N -0.25 0.00 -0.01 4.20 0.02 -0.34 -2.82 113.55 114.36 2k3f h SER 134 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k3f h SER 134 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2k3f h SER 134 CO -0.53 0.32 0.00 0.23 -1.14 0.00 0.00 176.83 175.71 2k3f n MET 135 N -4.06 1.03 -0.80 3.45 2.81 -0.13 -4.66 117.12 114.76 2k3f n MET 135 Ca -0.02 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2k3f n MET 135 Cb 0.37 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.79 0.59 3.71 3.03 0.00 -0.86 -2.99 105.19 109.45 2k3f n GLY 136 Ca 0.13 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 5.14 0.47 -0.61 1.01 0.11 -1.64 121.20 123.68 2k3f s ILE 137 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2k3f s ILE 137 Cb 0.00 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 2k3f s ILE 137 CO 0.00 0.47 0.84 -0.70 0.00 0.00 0.00 174.94 175.55 2k3f s GLU 138 N 0.18 3.72 -0.18 2.79 2.56 -1.04 -3.48 118.70 123.26 2k3f s GLU 138 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.55 2k3f s GLU 138 Cb -0.12 -2.31 0.01 0.00 2.00 0.00 0.00 34.13 33.71 2k3f s GLU 138 CO -0.00 -0.18 -0.17 0.14 -0.56 0.00 0.00 175.26 174.49 2k3f s VAL 139 N -2.60 2.39 -0.06 3.70 -7.23 -1.26 -1.64 120.40 113.71 2k3f s VAL 139 Ca 0.52 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 2k3f s VAL 139 Cb -0.10 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2k3f s VAL 139 CO 0.37 0.52 0.13 0.68 -0.31 0.00 0.00 175.10 176.49 2k3f s VAL 140 N 1.15 5.22 -2.00 1.32 -7.23 0.22 -4.86 120.40 114.22 2k3f s VAL 140 Ca 0.01 -0.08 0.22 0.00 -1.81 0.00 0.00 61.98 60.32 2k3f s VAL 140 Cb -0.14 -3.34 0.62 0.00 0.56 0.00 0.00 36.38 34.08 2k3f s VAL 140 CO -0.07 0.46 1.69 -0.67 -0.31 0.00 0.00 175.10 176.20