#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 -0.09 0.43 3.04 0.00 -1.26 -5.14 121.76 118.75 2k3f s ALA 2 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 2k3f s ALA 2 Cb 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 2k3f s ALA 2 CO 0.00 -1.51 0.89 0.15 0.00 0.00 0.00 175.76 175.29 2k3f s LYS 3 N 2.27 4.00 -0.17 0.00 1.02 -1.26 -5.06 119.74 120.54 2k3f s LYS 3 Ca 0.08 0.85 -0.04 0.00 0.02 0.00 0.00 55.97 56.88 2k3f s LYS 3 Cb -0.15 -2.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2k3f s LYS 3 CO -0.26 -0.08 0.19 -1.59 -0.92 0.00 0.00 175.35 172.70 2k3f s LYS 4 N -3.58 0.14 0.34 1.68 -2.85 -1.26 -5.08 119.74 109.14 2k3f s LYS 4 Ca 0.57 0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 55.53 2k3f s LYS 4 Cb -0.10 -1.04 -0.10 0.00 -2.06 0.00 0.00 37.83 34.53 2k3f s LYS 4 CO 0.24 -0.57 1.36 0.08 0.10 0.00 0.00 175.35 176.56 2k3f s VAL 5 N 2.30 2.52 -0.09 1.79 1.01 -1.26 0.55 120.40 127.21 2k3f s VAL 5 Ca 0.05 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2k3f s VAL 5 Cb -0.15 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 2k3f s VAL 5 CO -0.10 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.07 2k3f n ALA 6 N 0.71 1.79 -3.44 5.51 0.00 0.33 -4.41 120.51 121.00 2k3f n ALA 6 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2k3f n ALA 6 Cb 0.41 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.20 -1.36 -0.13 0.00 0.00 0.06 -4.98 121.76 113.15 2k3f s ALA 7 Ca -0.10 1.36 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2k3f s ALA 7 Cb 0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2k3f s ALA 7 CO 0.27 -0.28 0.42 -0.65 0.00 0.00 0.00 175.76 175.52 2k3f s GLN 8 N -0.17 4.31 -0.68 0.00 -0.21 -1.26 -0.05 119.66 121.60 2k3f s GLN 8 Ca -0.04 0.34 0.05 0.00 0.02 0.00 0.00 55.36 55.73 2k3f s GLN 8 Cb -0.03 -3.43 0.16 0.00 1.00 0.00 0.00 33.01 30.71 2k3f s GLN 8 CO 0.03 0.19 0.46 0.42 -2.12 0.00 0.00 175.29 174.26 2k3f s ILE 9 N 0.57 2.86 -0.05 1.08 -1.09 0.22 -4.91 121.20 119.87 2k3f s ILE 9 Ca 0.23 -4.15 -0.30 0.00 -2.23 0.00 0.00 60.65 54.21 2k3f s ILE 9 Cb -0.14 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2k3f s ILE 9 CO 0.08 -0.98 1.03 -0.54 -1.23 0.00 0.00 174.94 173.31 2k3f s LYS 10 N -1.29 4.47 -0.25 2.79 1.02 -1.26 -0.62 119.74 124.60 2k3f s LYS 10 Ca 0.24 1.46 -0.13 0.00 0.02 0.00 0.00 55.97 57.56 2k3f s LYS 10 Cb -0.08 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.82 2k3f s LYS 10 CO -0.14 -0.23 0.59 -0.48 -0.92 0.00 0.00 175.35 174.17 2k3f s LEU 11 N 1.60 -0.75 -0.20 3.17 0.05 -0.59 -4.95 118.68 117.00 2k3f s LEU 11 Ca 0.51 1.33 -0.26 0.00 0.05 0.00 0.00 54.13 55.76 2k3f s LEU 11 Cb -0.21 2.04 -0.00 0.00 -2.05 0.00 0.00 46.19 45.97 2k3f s LEU 11 CO 0.23 -0.22 0.90 -1.10 -0.55 0.00 0.00 176.35 175.60 2k3f s GLN 12 N 1.86 4.26 -0.00 1.48 1.11 -1.26 -2.26 119.66 124.84 2k3f s GLN 12 Ca -0.09 1.11 0.00 0.00 0.01 0.00 0.00 55.36 56.40 2k3f s GLN 12 Cb -0.07 -3.61 -0.00 0.00 -1.01 0.00 0.00 33.01 28.31 2k3f s GLN 12 CO -0.17 -0.47 -0.01 -0.51 0.01 0.00 0.00 175.29 174.14 2k3f s LEU 13 N 2.64 1.99 0.11 2.90 1.43 0.49 -4.88 118.68 123.36 2k3f s LEU 13 Ca 0.39 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 2k3f s LEU 13 Cb -0.16 -0.06 -0.11 0.00 0.03 0.00 0.00 46.19 45.90 2k3f s LEU 13 CO 0.09 0.01 1.85 -2.65 0.23 0.00 0.00 176.35 175.89 2k3f n PRO 14 N 3.07 2.79 -1.79 1.29 -0.02 -1.24 0.85 135.00 139.95 2k3f n PRO 14 Ca -0.12 1.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 2k3f n PRO 14 Cb 0.60 -2.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.92 3.79 0.00 3.55 0.00 0.36 -0.46 121.76 131.92 2k3f s ALA 15 Ca 0.83 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2k3f s ALA 15 Cb -0.48 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2k3f s ALA 15 CO 0.38 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2k3f n GLY 16 N 4.06 1.19 2.60 0.00 0.00 -1.24 -0.50 105.19 111.29 2k3f n GLY 16 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.24 0.10 -0.29 1.61 -0.14 0.39 -4.98 119.74 116.19 2k3f s LYS 17 Ca 0.00 -0.17 -0.20 0.00 -1.36 0.00 0.00 55.97 54.24 2k3f s LYS 17 Cb 0.00 -1.65 0.14 0.00 -1.68 0.00 0.00 37.83 34.64 2k3f s LYS 17 CO 0.00 -0.75 1.04 0.00 -0.76 0.00 0.00 175.35 174.88 2k3f s ALA 18 N 2.14 -2.17 0.00 5.17 0.00 -1.26 -3.60 121.76 122.04 2k3f s ALA 18 Ca 0.04 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2k3f s ALA 18 Cb -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2k3f s ALA 18 CO -0.15 -0.29 0.00 -2.37 0.00 0.00 0.00 175.76 172.95 2k3f n THR 19 N 2.99 0.00 -3.77 0.00 5.66 -1.26 -4.67 114.28 113.23 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 69.23 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 3.82 0.00 1.09 0.04 -1.26 -4.77 135.00 133.92 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 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2k3f s PRO 20 CO 0.00 -0.07 0.00 0.00 0.04 0.00 0.00 177.00 176.97 2k3f n ALA 21 N 4.62 0.00 -0.26 8.56 0.00 -1.26 -3.44 120.51 128.73 2k3f n ALA 21 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 2k3f n ALA 21 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.22 -0.01 0.00 -0.02 -1.26 0.23 135.00 133.72 2k3f n PRO 22 Ca 0.00 1.00 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 2k3f n PRO 22 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k3f h PRO 23 N 0.00 -0.08 0.17 0.52 0.13 -2.00 -3.42 132.00 127.32 2k3f h PRO 23 Ca 0.17 0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 65.00 2k3f h PRO 23 Cb 0.33 0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.50 2k3f h PRO 23 CO -0.64 0.01 -1.38 0.28 -0.23 0.00 0.00 178.00 176.05 2k3f h VAL 24 N -1.02 1.36 0.04 1.56 2.07 -1.19 -3.05 116.25 116.01 2k3f h VAL 24 Ca -0.01 -2.89 -0.00 0.00 0.82 0.00 0.00 66.70 64.62 2k3f h VAL 24 Cb 0.14 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k3f h VAL 24 CO 0.01 0.86 -0.05 1.23 0.02 0.00 0.00 177.57 179.64 2k3f h GLY 25 N 1.13 -0.88 0.09 2.17 0.00 0.28 -1.92 103.07 103.95 2k3f h GLY 25 Ca -0.20 0.38 0.16 0.00 0.00 0.00 0.00 47.33 47.68 2k3f h GLY 25 CO 0.22 -0.32 0.36 -2.55 0.00 0.00 0.00 176.54 174.25 2k3f h PRO 26 N -0.09 0.48 0.00 4.80 0.11 -1.71 0.40 132.00 135.98 2k3f h PRO 26 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k3f h PRO 26 Cb 0.08 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2k3f h PRO 26 CO -0.01 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 2k3f n ALA 27 N -2.48 0.00 0.16 -0.75 0.00 -1.01 -2.81 120.51 113.62 2k3f n ALA 27 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 2k3f n ALA 27 Cb 0.48 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.42 0.00 -0.00 -1.49 -3.32 115.31 110.08 2k3f h LEU 28 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 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 0.48 -0.23 1.23 -0.00 0.00 0.00 178.44 179.92 2k3f h GLY 29 N 2.54 0.98 2.00 0.17 0.00 -0.95 -0.96 103.07 106.84 2k3f h GLY 29 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 2k3f h GLY 29 CO 0.06 0.81 -0.01 -1.61 0.00 0.00 0.00 176.54 175.80 2k3f h GLN 30 N 0.72 0.00 -0.60 4.80 4.15 -1.26 0.17 115.11 123.09 2k3f h GLN 30 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2k3f h GLN 30 Cb 0.80 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2k3f h GLN 30 CO 0.07 0.01 0.00 0.72 -1.93 0.00 0.00 178.83 177.69 2k3f n HIS 31 N -3.28 1.99 -0.67 3.99 8.25 -0.48 -4.89 115.22 120.14 2k3f n HIS 31 Ca -0.03 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2k3f n HIS 31 Cb 0.10 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 0.62 0.76 3.81 -1.41 0.00 0.61 -4.94 105.19 104.64 2k3f n GLY 32 Ca 0.27 0.00 -0.35 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 -2.72 4.44 -0.60 1.61 1.01 -0.53 -4.92 120.40 118.68 2k3f s VAL 33 Ca 0.00 1.44 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 2k3f s VAL 33 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2k3f s VAL 33 CO 0.00 0.04 1.90 0.20 0.00 0.00 0.00 175.10 177.24 2k3f s ASN 34 N -1.82 5.20 0.29 3.32 0.01 -1.26 -4.17 114.94 116.51 2k3f s ASN 34 Ca 0.50 0.39 0.03 0.00 -0.71 0.00 0.00 52.86 53.07 2k3f s ASN 34 Cb -0.15 -2.53 0.63 0.00 0.41 0.00 0.00 41.25 39.62 2k3f s ASN 34 CO 0.20 -2.42 1.81 0.40 -1.51 0.00 0.00 177.10 175.57 2k3f h ILE 35 N 6.95 0.82 -0.17 0.60 2.04 -1.93 0.23 117.51 126.05 2k3f h ILE 35 Ca -0.26 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2k3f h ILE 35 Cb 1.17 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2k3f h ILE 35 CO 1.21 0.16 -0.07 0.24 0.00 0.00 0.00 178.15 179.70 2k3f h MET 36 N 0.88 0.34 -0.58 2.37 2.86 -1.88 0.93 114.93 119.85 2k3f h MET 36 Ca 0.53 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 58.09 2k3f h MET 36 Cb 0.68 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 2k3f h MET 36 CO -0.32 0.64 0.28 1.49 1.06 0.00 0.00 176.91 180.06 2k3f h GLU 37 N 0.03 0.51 0.32 1.72 4.57 -1.79 0.67 114.58 120.60 2k3f h GLU 37 Ca 0.04 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2k3f h GLU 37 Cb 0.53 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2k3f h GLU 37 CO 0.02 0.34 -0.29 0.35 -1.18 0.00 0.00 179.01 178.25 2k3f h PHE 38 N 0.53 -0.77 -0.16 0.92 3.57 -0.33 -2.04 116.94 118.66 2k3f h PHE 38 Ca 0.27 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2k3f h PHE 38 Cb 0.22 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 2k3f h PHE 38 CO -0.11 -0.42 -0.06 0.00 -2.23 0.00 0.00 178.31 175.49 2k3f h LYS 40 N -0.04 0.00 0.09 0.00 1.57 0.32 0.09 116.57 118.60 2k3f h LYS 40 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2k3f h LYS 40 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2k3f h LYS 40 CO -0.19 0.08 -0.04 0.00 -0.57 0.00 0.00 179.45 178.73 2k3f h ARG 41 N 0.00 -0.12 -0.44 3.15 3.08 -0.41 -3.12 114.38 116.53 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 0.35 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2k3f h ARG 41 CO 0.01 -0.08 0.12 0.35 -1.07 0.00 0.00 179.97 179.31 2k3f h PHE 42 N -0.62 0.21 -0.17 3.04 3.57 0.92 0.33 116.94 124.23 2k3f h PHE 42 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k3f h PHE 42 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2k3f h PHE 42 CO 0.01 0.06 0.10 -0.91 -2.23 0.00 0.00 178.31 175.34 2k3f h ASN 43 N 0.27 0.20 -0.62 0.41 -0.26 -1.18 0.45 115.58 114.85 2k3f h ASN 43 Ca 0.21 -0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 2k3f h ASN 43 Cb 0.23 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 2k3f h ASN 43 CO -0.24 0.20 0.18 0.00 -1.06 0.00 0.00 177.43 176.51 2k3f h ALA 44 N 1.01 1.10 -0.63 -0.83 0.00 -1.18 -0.69 119.26 118.04 2k3f h ALA 44 Ca 0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2k3f h ALA 44 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2k3f h ALA 44 CO -0.01 0.61 0.06 0.93 0.00 0.00 0.00 179.25 180.84 2k3f h GLU 45 N 0.96 1.07 -0.16 0.00 4.39 0.22 -3.13 114.58 117.93 2k3f h GLU 45 Ca 0.21 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k3f h GLU 45 Cb 0.30 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k3f h GLU 45 CO -0.00 1.01 0.00 0.25 -1.16 0.00 0.00 179.01 179.11 2k3f n THR 46 N -4.22 0.19 -0.33 1.13 -2.24 0.15 -4.33 114.28 104.63 2k3f n THR 46 Ca 0.03 -0.42 0.26 0.00 -2.27 0.00 0.00 64.05 61.65 2k3f n THR 46 Cb 0.31 0.67 0.56 0.00 -2.10 0.00 0.00 70.33 69.78 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 4.30 2.42 0.17 6.98 0.00 -1.07 0.51 119.26 132.56 2k3f h ALA 47 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2k3f h ALA 47 Cb 0.66 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k3f h ALA 47 CO 0.00 -0.84 -1.13 0.38 0.00 0.00 0.00 179.25 177.66 2k3f h ASP 48 N 0.30 0.55 -0.37 0.00 2.03 -1.84 -3.28 116.42 113.82 2k3f h ASP 48 Ca 0.61 -0.93 -0.02 0.00 -0.73 0.00 0.00 57.03 55.97 2k3f h ASP 48 Cb 1.73 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 40.04 2k3f h ASP 48 CO -0.27 1.53 0.03 0.29 -1.03 0.00 0.00 179.24 179.79 2k3f n LYS 49 N -3.97 3.30 -1.58 4.15 5.02 -0.61 -4.96 118.16 119.51 2k3f n LYS 49 Ca -0.17 -1.93 -0.38 0.00 -2.02 0.00 0.00 58.31 53.81 2k3f n LYS 49 Cb 0.92 -1.96 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.33 -0.18 -0.33 7.82 0.00 0.07 -3.61 120.51 124.61 2k3f n ALA 50 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2k3f n ALA 50 Cb 0.86 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.80 2.74 0.00 0.00 0.34 -4.93 105.19 105.55 2k3f n GLY 51 Ca 0.13 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.66 -0.04 -0.85 1.61 1.00 -1.24 -4.90 119.30 114.22 2k3f s MET 52 Ca 0.00 0.29 -0.25 0.00 0.00 0.00 0.00 55.69 55.73 2k3f s MET 52 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 34.83 34.41 2k3f s MET 52 CO 0.00 -0.24 2.09 0.42 0.00 0.00 0.00 175.02 177.29 2k3f s ILE 53 N 1.58 3.31 0.21 2.53 -1.09 -1.26 0.14 121.20 126.61 2k3f s ILE 53 Ca -0.03 -0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 57.88 2k3f s ILE 53 Cb -0.12 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 2k3f s ILE 53 CO -0.03 -0.66 0.87 -0.76 -1.23 0.00 0.00 174.94 173.13 2k3f s LEU 54 N 11.44 4.62 -0.63 2.97 1.43 0.25 -4.75 118.68 134.01 2k3f s LEU 54 Ca 0.77 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 2k3f s LEU 54 Cb -0.09 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.67 2k3f s LEU 54 CO 0.03 0.18 1.26 -2.84 0.23 0.00 0.00 176.35 175.21 2k3f s PRO 55 N -1.19 3.36 0.20 1.29 0.02 -1.26 -0.38 135.00 137.04 2k3f s PRO 55 Ca 0.39 0.12 0.01 0.00 0.02 0.00 0.00 61.00 61.54 2k3f s PRO 55 Cb -0.25 -4.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.15 2k3f s PRO 55 CO 0.29 -1.89 0.36 0.54 -0.33 0.00 0.00 177.00 175.98 2k3f s VAL 56 N 5.43 5.24 -0.16 3.83 0.11 -0.96 -0.17 120.40 133.72 2k3f s VAL 56 Ca 0.42 -0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2k3f s VAL 56 Cb -0.08 -3.76 0.05 0.00 -1.53 0.00 0.00 36.38 31.06 2k3f s VAL 56 CO 0.22 -0.19 0.03 -0.69 -3.33 0.00 0.00 175.10 171.13 2k3f s VAL 57 N -1.87 0.49 -0.07 2.04 1.01 0.11 -1.55 120.40 120.56 2k3f s VAL 57 Ca 0.37 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2k3f s VAL 57 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2k3f s VAL 57 CO 0.29 -0.09 0.10 -0.63 0.00 0.00 0.00 175.10 174.77 2k3f s ILE 58 N 1.89 5.04 -0.38 2.22 1.01 0.21 -0.40 121.20 130.79 2k3f s ILE 58 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2k3f s ILE 58 Cb -0.16 -3.23 0.11 0.00 0.01 0.00 0.00 42.46 39.19 2k3f s ILE 58 CO -0.07 0.51 0.13 -0.89 0.00 0.00 0.00 174.94 174.61 2k3f s THR 59 N -1.08 1.82 -0.01 2.92 2.01 0.11 0.69 115.64 122.09 2k3f s THR 59 Ca 0.18 -2.30 -0.19 0.00 0.31 0.00 0.00 61.69 59.70 2k3f s THR 59 Cb -0.12 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 2k3f s THR 59 CO 0.08 -0.70 0.53 0.54 -0.69 0.00 0.00 174.62 174.38 2k3f s VAL 60 N 0.80 4.96 0.59 3.82 0.11 0.92 -2.14 120.40 129.47 2k3f s VAL 60 Ca 0.13 1.09 -0.00 0.00 -2.93 0.00 0.00 61.98 60.27 2k3f s VAL 60 Cb -0.21 -3.86 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2k3f s VAL 60 CO -0.10 0.46 0.83 -0.31 -3.33 0.00 0.00 175.10 172.65 2k3f s TYR 61 N -0.37 2.77 0.64 1.54 2.02 0.18 0.12 117.35 124.25 2k3f s TYR 61 Ca 0.28 0.04 0.42 0.00 -0.37 0.00 0.00 57.07 57.44 2k3f s TYR 61 Cb -0.17 -2.85 2.32 0.00 -0.40 0.00 0.00 41.96 40.85 2k3f s TYR 61 CO 0.15 -1.03 2.35 0.93 -1.57 0.00 0.00 175.55 176.38 2k3f h GLU 62 N -0.09 0.00 -0.00 -0.62 5.08 -0.11 -0.63 114.58 118.21 2k3f h GLU 62 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2k3f h GLU 62 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2k3f h GLU 62 CO 0.53 0.00 -0.13 -0.25 -1.00 0.00 0.00 179.01 178.16 2k3f n ASP 63 N -3.19 0.57 0.00 1.42 9.92 -1.26 -4.85 116.55 119.16 2k3f n ASP 63 Ca -0.03 -0.63 0.00 0.00 -0.53 0.00 0.00 54.79 53.60 2k3f n ASP 63 Cb 0.08 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 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 -0.89 0.00 -1.25 -1.24 4.76 -0.24 -5.04 118.16 114.26 2k3f n LYS 64 Ca 0.14 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.29 2k3f n LYS 64 Cb 0.29 -2.28 0.16 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.93 3.01 0.13 4.39 0.01 -1.25 -4.58 113.70 112.46 2k3f s SER 65 Ca 0.00 1.22 -0.16 0.00 1.31 0.00 0.00 55.95 58.32 2k3f s SER 65 Cb 0.00 -1.88 0.06 0.00 0.21 0.00 0.00 66.02 64.41 2k3f s SER 65 CO 0.00 -2.90 0.75 2.22 0.41 0.00 0.00 173.24 173.73 2k3f n PHE 66 N -4.02 -1.10 -3.80 2.43 -1.74 -1.26 0.49 117.46 108.46 2k3f n PHE 66 Ca 0.06 -0.90 -0.06 0.00 -0.56 0.00 0.00 57.45 55.99 2k3f n PHE 66 Cb 0.57 0.44 -0.02 0.00 1.52 0.00 0.00 39.48 41.99 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 -2.19 0.00 0.08 1.97 -4.23 -0.91 -4.94 115.64 105.42 2k3f s THR 67 Ca 0.17 -0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 59.61 2k3f s THR 67 Cb -0.02 -1.93 0.09 0.00 1.34 0.00 0.00 72.50 71.97 2k3f s THR 67 CO 0.04 0.00 0.74 0.72 -0.54 0.00 0.00 174.62 175.57 2k3f s PHE 68 N -3.66 -0.45 0.20 3.99 -0.71 -1.26 0.09 117.98 116.18 2k3f s PHE 68 Ca 0.11 0.28 0.06 0.00 -1.04 0.00 0.00 56.93 56.34 2k3f s PHE 68 Cb -0.04 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 2k3f s PHE 68 CO 0.04 -0.70 -0.09 0.96 -1.34 0.00 0.00 175.22 174.08 2k3f s ILE 69 N -3.43 1.39 -0.13 -4.49 -4.36 0.46 -4.95 121.20 105.69 2k3f s ILE 69 Ca 0.03 -2.11 -0.00 0.00 -0.26 0.00 0.00 60.65 58.30 2k3f s ILE 69 Cb -0.01 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2k3f s ILE 69 CO -0.11 -0.57 -0.11 -0.63 0.24 0.00 0.00 174.94 173.76 2k3f s ILE 70 N -3.19 1.31 -0.75 8.37 1.01 -1.26 0.05 121.20 126.73 2k3f s ILE 70 Ca 0.22 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 2k3f s ILE 70 Cb 0.02 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2k3f s ILE 70 CO 0.05 0.41 1.51 -0.54 0.00 0.00 0.00 174.94 176.38 2k3f s LYS 71 N 1.58 3.03 0.30 2.79 -0.14 0.76 -4.86 119.74 123.20 2k3f s LYS 71 Ca 0.05 -0.10 0.03 0.00 -1.36 0.00 0.00 55.97 54.59 2k3f s LYS 71 Cb -0.13 -4.43 0.75 0.00 -1.68 0.00 0.00 37.83 32.34 2k3f s LYS 71 CO -0.09 -2.40 1.63 1.79 -0.76 0.00 0.00 175.35 175.52 2k3f h THR 72 N 6.45 0.26 -0.97 2.17 1.35 -1.95 -3.35 112.91 116.87 2k3f h THR 72 Ca -0.19 -0.06 0.13 0.00 -0.55 0.00 0.00 66.41 65.74 2k3f h THR 72 Cb 1.07 0.07 -0.14 0.00 -1.73 0.00 0.00 68.15 67.42 2k3f h THR 72 CO 1.28 0.03 -0.44 -0.81 -0.25 0.00 0.00 175.52 175.33 2k3f n PRO 73 N -5.26 -0.29 -0.45 4.72 -0.04 -1.26 -1.97 135.00 130.46 2k3f n PRO 73 Ca 0.23 1.49 0.37 0.00 -0.04 0.00 0.00 63.50 65.54 2k3f n PRO 73 Cb 0.73 -2.20 0.66 0.00 -0.04 0.00 0.00 33.50 32.65 2k3f n PRO 73 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2k3f h PRO 74 N 0.00 0.11 0.00 0.54 0.11 -2.01 -3.44 132.00 127.31 2k3f h PRO 74 Ca 0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2k3f h PRO 74 Cb 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2k3f h PRO 74 CO -0.95 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 176.91 2k3f n ALA 75 N -2.59 0.00 -0.31 -0.75 0.00 -0.83 -4.77 120.51 111.25 2k3f n ALA 75 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 2k3f n ALA 75 Cb 1.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.81 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 -1.68 -0.83 0.00 0.87 -1.88 0.25 113.55 110.28 2k3f h SER 76 Ca 0.00 0.29 0.10 0.00 -1.23 0.00 0.00 61.79 60.95 2k3f h SER 76 Cb 0.00 0.78 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 2k3f h SER 76 CO 0.00 -0.30 0.54 2.19 -0.53 0.00 0.00 176.83 178.73 2k3f h PHE 77 N -0.11 0.83 0.03 2.24 -0.00 -1.95 0.83 116.94 118.81 2k3f h PHE 77 Ca 0.22 0.02 -0.30 0.00 -0.00 0.00 0.00 57.97 57.91 2k3f h PHE 77 Cb 0.53 -0.27 -0.04 0.00 -0.00 0.00 0.00 35.95 36.18 2k3f h PHE 77 CO -0.85 0.38 -1.66 1.25 -0.00 0.00 0.00 178.31 177.43 2k3f h LEU 78 N 0.77 0.11 -1.35 2.10 5.85 -1.37 -3.10 115.31 118.31 2k3f h LEU 78 Ca 0.39 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2k3f h LEU 78 Cb 0.47 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2k3f h LEU 78 CO -0.16 1.18 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.01 2k3f h LEU 79 N 0.02 0.35 -0.48 2.25 -0.00 -0.12 -1.80 115.31 115.52 2k3f h LEU 79 Ca -0.28 -0.06 0.06 0.00 -0.00 0.00 0.00 57.88 57.60 2k3f h LEU 79 Cb 1.99 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 42.51 2k3f h LEU 79 CO 0.09 0.45 0.20 0.11 -0.00 0.00 0.00 178.44 179.29 2k3f h LYS 80 N 0.36 0.38 -0.71 1.13 6.56 -0.82 -1.71 116.57 121.75 2k3f h LYS 80 Ca 0.08 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.70 2k3f h LYS 80 Cb 0.32 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.84 2k3f h LYS 80 CO 0.01 0.25 0.42 0.87 -2.06 0.00 0.00 179.45 178.94 2k3f h LYS 81 N 0.39 0.75 -0.06 3.15 1.79 -1.25 0.25 116.57 121.58 2k3f h LYS 81 Ca 0.23 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2k3f h LYS 81 Cb 0.21 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2k3f h LYS 81 CO -0.21 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.66 2k3f h ALA 82 N 1.35 0.08 -0.00 3.86 0.00 -1.44 -3.24 119.26 119.88 2k3f h ALA 82 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k3f h ALA 82 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k3f h ALA 82 CO -0.16 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.66 2k3f h ALA 83 N 0.73 1.70 0.00 0.00 0.00 -0.77 -3.46 119.26 117.47 2k3f h ALA 83 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k3f h ALA 83 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k3f h ALA 83 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2k3f n GLY 84 N -1.02 1.85 0.00 0.00 0.00 0.82 -4.39 105.19 102.45 2k3f n GLY 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k3f n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k3f n ILE 85 N -2.00 0.00 -0.93 -0.61 -5.35 -1.20 -4.94 119.36 104.34 2k3f n ILE 85 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k3f n ILE 85 Cb 0.00 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 2k3f n ILE 85 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2k3f n GLU 86 N -0.45 0.00 0.00 6.28 0.00 -1.26 -4.72 120.64 120.49 2k3f n GLU 86 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.47 2k3f n GLU 86 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 31.44 30.52 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2k3f n LYS 87 N -0.30 0.00 0.00 5.31 4.81 -1.26 -5.14 118.16 121.58 2k3f n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k3f n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3f n GLY 88 N -0.59 1.79 0.00 3.14 0.00 -1.26 -5.14 105.19 103.13 2k3f n GLY 88 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2k3f n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3f n SER 89 N 0.00 0.00 -3.30 1.61 7.64 -1.26 -5.05 113.62 113.26 2k3f n SER 89 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2k3f n SER 89 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k3f n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3f n SER 90 N -0.37 -3.83 0.07 6.43 7.64 -1.26 -4.39 113.62 117.91 2k3f n SER 90 Ca 0.00 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2k3f n SER 90 Cb 0.00 -3.17 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 2k3f n SER 90 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k3f n GLU 91 N -3.70 0.00 0.00 1.43 0.00 -1.26 -4.99 120.64 112.12 2k3f n GLU 91 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2k3f n GLU 91 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.99 2k3f n GLU 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2k3f n PRO 92 N -2.87 0.35 -1.62 5.31 -0.02 -1.26 -4.36 135.00 130.52 2k3f n PRO 92 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2k3f n PRO 92 Cb 0.00 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 2k3f n PRO 92 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k3f n LYS 93 N 0.35 2.99 0.00 -0.52 5.02 -1.26 -3.99 118.16 120.74 2k3f n LYS 93 Ca 0.00 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2k3f n LYS 93 Cb 0.09 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 2k3f n LYS 93 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2k3f n ARG 94 N 5.59 0.00 -0.59 1.97 0.63 -1.26 -4.92 116.66 118.08 2k3f n ARG 94 Ca 0.57 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.41 2k3f n ARG 94 Cb 0.36 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.31 2k3f n ARG 94 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k3f n LYS 95 N -0.95 1.47 -0.34 -0.14 4.81 -1.26 -4.95 118.16 116.80 2k3f n LYS 95 Ca 0.00 -1.01 0.04 0.00 -0.87 0.00 0.00 58.31 56.48 2k3f n LYS 95 Cb 0.00 -1.40 -0.02 0.00 0.02 0.00 0.00 35.03 33.64 2k3f n LYS 95 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k3f n ILE 96 N 0.37 0.00 0.07 3.15 5.41 -1.26 -5.05 119.36 122.05 2k3f n ILE 96 Ca 0.20 0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.06 2k3f n ILE 96 Cb 0.71 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2k3f n VAL 97 N -2.88 0.00 -4.21 1.39 3.14 0.51 -4.69 118.33 111.59 2k3f n VAL 97 Ca -0.01 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.11 2k3f n VAL 97 Cb 0.16 -0.25 -0.08 0.00 -1.06 0.00 0.00 33.84 32.61 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 -3.52 1.73 0.02 7.55 0.00 -1.13 -4.96 107.32 107.01 2k3f s GLY 98 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 2k3f s GLY 98 CO 0.00 -1.40 0.44 -1.59 0.00 0.00 0.00 173.10 170.55 2k3f s LYS 99 N -2.95 0.91 0.00 2.90 -2.85 -1.26 -1.26 119.74 115.24 2k3f s LYS 99 Ca 0.27 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 2k3f s LYS 99 Cb -0.09 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2k3f s LYS 99 CO 0.18 -0.30 0.00 1.33 0.10 0.00 0.00 175.35 176.66 2k3f n VAL 100 N 0.66 0.00 -4.45 1.79 0.24 -0.69 -4.73 118.33 111.14 2k3f n VAL 100 Ca -0.19 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 2k3f n VAL 100 Cb 0.59 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.86 2k3f n VAL 100 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2k3f s THR 101 N -2.77 2.54 0.33 3.34 -4.23 -1.26 0.12 115.64 113.70 2k3f s THR 101 Ca 0.00 -2.33 0.10 0.00 -1.18 0.00 0.00 61.69 58.28 2k3f s THR 101 Cb 0.00 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.85 2k3f s THR 101 CO 0.00 -0.37 1.64 0.03 -0.54 0.00 0.00 174.62 175.38 2k3f h ARG 102 N 2.34 0.21 -0.55 3.99 2.47 -1.86 -0.35 114.38 120.63 2k3f h ARG 102 Ca -0.41 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.32 2k3f h ARG 102 Cb 1.25 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 2k3f h ARG 102 CO 0.59 0.14 0.34 -0.22 0.56 0.00 0.00 179.97 181.38 2k3f h LYS 103 N 0.22 0.66 0.18 0.04 1.63 -1.96 0.82 116.57 118.16 2k3f h LYS 103 Ca 0.68 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 2k3f h LYS 103 Cb 1.54 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.01 2k3f h LYS 103 CO -0.67 0.44 -0.16 1.96 -3.45 0.00 0.00 179.45 177.57 2k3f h GLN 104 N 0.68 -0.34 -0.90 1.90 1.08 -1.50 -0.66 115.11 115.37 2k3f h GLN 104 Ca 0.22 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.60 2k3f h GLN 104 Cb -0.01 0.08 -0.16 0.00 -0.05 0.00 0.00 27.48 27.34 2k3f h GLN 104 CO -0.08 -0.23 -0.28 -0.89 -0.95 0.00 0.00 178.83 176.40 2k3f n ILE 105 N -5.28 -0.42 0.16 2.54 2.08 -0.52 -2.38 119.36 115.54 2k3f n ILE 105 Ca -0.08 2.08 -0.16 0.00 0.56 0.00 0.00 62.75 65.16 2k3f n ILE 105 Cb 0.20 -2.83 -0.09 0.00 -0.75 0.00 0.00 39.64 36.17 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 -0.74 -0.35 0.38 4.81 0.69 0.80 114.58 120.16 2k3f h GLU 106 Ca 0.38 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 2k3f h GLU 106 Cb 0.61 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2k3f h GLU 106 CO -0.92 -0.50 0.18 1.05 -0.73 0.00 0.00 179.01 178.10 2k3f h GLU 107 N -0.77 0.36 -0.13 1.92 4.11 -1.08 0.85 114.58 119.84 2k3f h GLU 107 Ca -0.01 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.43 2k3f h GLU 107 Cb 0.75 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2k3f h GLU 107 CO -0.21 0.24 -0.51 0.82 0.07 0.00 0.00 179.01 179.42 2k3f h ILE 108 N 0.37 0.00 -0.98 -1.06 1.08 -1.31 -0.93 117.51 114.68 2k3f h ILE 108 Ca 0.15 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.82 2k3f h ILE 108 Cb 0.05 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.71 2k3f h ILE 108 CO -0.10 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 177.98 2k3f h ALA 109 N -0.38 1.90 0.22 1.87 0.00 0.22 -2.06 119.26 121.03 2k3f h ALA 109 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3f h ALA 109 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k3f h ALA 109 CO -0.41 -0.24 -0.10 0.87 0.00 0.00 0.00 179.25 179.36 2k3f h LYS 110 N 0.62 -0.28 -0.14 0.00 1.57 0.12 0.77 116.57 119.23 2k3f h LYS 110 Ca 0.55 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.38 2k3f h LYS 110 Cb 1.04 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2k3f h LYS 110 CO -0.30 0.10 0.18 0.00 -0.57 0.00 0.00 179.45 178.85 2k3f h THR 111 N -0.81 0.40 0.00 -0.16 1.03 -0.94 -2.34 112.91 110.08 2k3f h THR 111 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 2k3f h THR 111 Cb 0.51 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 2k3f h THR 111 CO 0.05 0.00 -0.80 0.29 -0.01 0.00 0.00 175.52 175.05 2k3f n LYS 112 N -3.67 1.93 -0.17 0.00 5.02 -0.79 -4.56 118.16 115.91 2k3f n LYS 112 Ca 0.01 -0.01 0.25 0.00 -2.02 0.00 0.00 58.31 56.53 2k3f n LYS 112 Cb 0.29 -1.22 0.66 0.00 -0.02 0.00 0.00 35.03 34.74 2k3f n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3f h MET 113 N 0.00 0.12 0.00 1.97 -0.00 0.11 0.50 114.93 117.63 2k3f h MET 113 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 2k3f h MET 113 Cb 0.39 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2k3f h MET 113 CO 0.00 0.08 -0.12 -1.00 -0.00 0.00 0.00 176.91 175.87 2k3f h PRO 114 N 0.12 0.00 0.00 -0.10 0.13 -1.80 -3.30 132.00 127.05 2k3f h PRO 114 Ca 0.42 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.16 2k3f h PRO 114 Cb 1.45 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.51 2k3f h PRO 114 CO -0.06 0.12 -2.45 -3.47 -0.23 0.00 0.00 178.00 171.91 2k3f n ASP 115 N -4.11 1.71 0.00 1.44 -0.08 0.13 -4.35 116.55 111.29 2k3f n ASP 115 Ca -0.02 -0.12 0.02 0.00 -1.51 0.00 0.00 54.79 53.16 2k3f n ASP 115 Cb 0.20 -0.20 0.13 0.00 2.34 0.00 0.00 41.12 43.60 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k3f n LEU 116 N -3.18 0.00 -3.21 -2.67 4.32 0.13 -4.81 117.00 107.58 2k3f n LEU 116 Ca -0.44 0.07 -0.09 0.00 -0.02 0.00 0.00 56.01 55.53 2k3f n LEU 116 Cb 1.01 -0.07 0.03 0.00 -1.62 0.00 0.00 43.42 42.77 2k3f n LEU 116 CO 0.28 -0.06 0.17 -3.20 -1.22 0.00 0.00 177.39 173.37 2k3f n ASN 117 N -1.07 -7.07 -3.86 -1.43 5.15 -1.26 -4.96 115.26 100.77 2k3f n ASN 117 Ca 0.03 -0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 53.48 2k3f n ASN 117 Cb 0.02 -4.98 -0.12 0.00 -0.53 0.00 0.00 39.78 34.17 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f s ALA 118 N -3.18 -0.22 0.00 5.20 0.00 -1.26 -5.03 121.76 117.27 2k3f s ALA 118 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2k3f s ALA 118 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2k3f s ALA 118 CO 0.76 -0.09 0.54 -1.71 0.00 0.00 0.00 175.76 175.26 2k3f n ASN 119 N 2.56 0.00 -4.82 0.00 4.05 -1.26 -4.78 115.26 111.01 2k3f n ASN 119 Ca -0.16 0.61 -0.34 0.00 0.45 0.00 0.00 54.58 55.14 2k3f n ASN 119 Cb 0.58 -0.25 -0.06 0.00 1.23 0.00 0.00 39.78 41.27 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2k3f s SER 120 N -2.00 7.00 0.42 1.20 0.01 -1.26 -4.94 113.70 114.13 2k3f s SER 120 Ca 0.00 1.57 0.14 0.00 1.31 0.00 0.00 55.95 58.97 2k3f s SER 120 Cb 0.00 -2.48 1.01 0.00 0.21 0.00 0.00 66.02 64.76 2k3f s SER 120 CO 0.00 -0.19 1.94 0.25 0.41 0.00 0.00 173.24 175.65 2k3f h LEU 121 N 2.54 0.42 -1.15 2.44 7.12 -1.94 -0.56 115.31 124.17 2k3f h LEU 121 Ca -0.48 0.02 0.21 0.00 0.13 0.00 0.00 57.88 57.76 2k3f h LEU 121 Cb 1.18 -0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 41.15 2k3f h LEU 121 CO 0.64 0.23 0.62 -0.33 -0.13 0.00 0.00 178.44 179.47 2k3f h GLU 122 N 0.45 0.61 -0.23 1.25 5.08 -1.97 0.39 114.58 120.16 2k3f h GLU 122 Ca 0.34 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2k3f h GLU 122 Cb 0.71 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k3f h GLU 122 CO -0.11 0.40 -0.07 0.00 -1.00 0.00 0.00 179.01 178.24 2k3f h ALA 123 N 1.64 0.32 -0.55 3.43 0.00 -1.48 -2.60 119.26 120.03 2k3f h ALA 123 Ca 0.57 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.31 2k3f h ALA 123 Cb 1.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k3f h ALA 123 CO -0.34 0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.41 2k3f h ALA 124 N 0.75 2.10 -0.77 0.00 0.00 -0.58 -0.87 119.26 119.89 2k3f h ALA 124 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2k3f h ALA 124 Cb 0.54 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2k3f h ALA 124 CO 0.03 -0.23 0.51 0.52 0.00 0.00 0.00 179.25 180.07 2k3f h MET 125 N 0.31 0.86 0.38 0.00 2.07 0.04 -2.23 114.93 116.36 2k3f h MET 125 Ca 0.25 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.81 2k3f h MET 125 Cb 0.59 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 2k3f h MET 125 CO -0.06 0.57 -0.18 0.87 1.07 0.00 0.00 176.91 179.18 2k3f h LYS 126 N 0.88 -0.49 0.05 1.72 6.56 -1.04 0.13 116.57 124.37 2k3f h LYS 126 Ca 0.32 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.97 2k3f h LYS 126 Cb 0.14 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.86 2k3f h LYS 126 CO -0.10 -0.26 -0.44 0.97 -2.06 0.00 0.00 179.45 177.56 2k3f h ILE 127 N -0.64 0.12 -0.00 1.86 -0.00 -1.38 0.38 117.51 117.85 2k3f h ILE 127 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.84 2k3f h ILE 127 Cb 0.47 0.12 -0.06 0.00 -0.00 0.00 0.00 36.82 37.35 2k3f h ILE 127 CO 0.09 0.00 -0.47 0.40 -0.00 0.00 0.00 178.15 178.17 2k3f h ILE 128 N -0.63 0.09 -0.71 2.19 1.08 -1.40 1.03 117.51 119.16 2k3f h ILE 128 Ca 0.03 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 2k3f h ILE 128 Cb 0.68 0.09 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 2k3f h ILE 128 CO -0.30 0.00 0.32 1.05 -0.69 0.00 0.00 178.15 178.53 2k3f h GLU 129 N -0.62 0.51 -0.11 2.37 4.11 -0.63 0.29 114.58 120.50 2k3f h GLU 129 Ca 0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2k3f h GLU 129 Cb 0.69 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2k3f h GLU 129 CO -0.34 0.34 -0.05 0.78 0.07 0.00 0.00 179.01 179.80 2k3f h GLY 130 N 0.52 0.24 -0.19 1.06 0.00 -0.13 0.39 103.07 104.96 2k3f h GLY 130 Ca 0.37 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2k3f h GLY 130 CO -0.32 0.20 -0.16 -0.84 0.00 0.00 0.00 176.54 175.42 2k3f h THR 131 N -0.13 0.00 -0.52 4.70 2.02 0.17 0.02 112.91 119.16 2k3f h THR 131 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 2k3f h THR 131 Cb 0.51 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 2k3f h THR 131 CO 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 2k3f h ALA 132 N -0.77 0.48 -0.50 6.16 0.00 -0.30 -1.79 119.26 122.54 2k3f h ALA 132 Ca 0.03 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2k3f h ALA 132 Cb 0.14 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 2k3f h ALA 132 CO -0.21 -0.39 -0.26 0.87 0.00 0.00 0.00 179.25 179.25 2k3f h LYS 133 N 0.11 -0.14 0.00 0.00 1.57 0.25 0.14 116.57 118.50 2k3f h LYS 133 Ca 0.26 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2k3f h LYS 133 Cb 0.40 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2k3f h LYS 133 CO -0.44 -0.10 -0.22 1.03 -0.57 0.00 0.00 179.45 179.15 2k3f h SER 134 N -0.15 0.00 -0.02 0.86 0.87 -0.40 -2.88 113.55 111.82 2k3f h SER 134 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2k3f h SER 134 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2k3f h SER 134 CO -0.59 0.22 0.00 0.23 -0.53 0.00 0.00 176.83 176.16 2k3f n MET 135 N -4.18 1.17 -0.61 2.24 2.81 0.24 -4.86 117.12 113.93 2k3f n MET 135 Ca -0.02 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 2k3f n MET 135 Cb 0.28 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.95 0.69 3.66 3.03 0.00 -0.95 -4.78 105.19 107.80 2k3f n GLY 136 Ca 0.18 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 5.34 0.35 -0.61 1.09 0.24 -0.36 121.20 125.25 2k3f s ILE 137 Ca 0.00 0.27 -0.04 0.00 -1.10 0.00 0.00 60.65 59.78 2k3f s ILE 137 Cb 0.00 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.82 2k3f s ILE 137 CO 0.00 0.33 0.62 -1.83 -0.10 0.00 0.00 174.94 173.96 2k3f s GLU 138 N 1.07 3.59 -0.13 2.79 -1.05 -0.39 -3.14 118.70 121.44 2k3f s GLU 138 Ca 0.09 -0.00 0.02 0.00 -0.15 0.00 0.00 54.97 54.93 2k3f s GLU 138 Cb -0.14 -2.57 -0.00 0.00 -0.44 0.00 0.00 34.13 30.98 2k3f s GLU 138 CO 0.05 0.09 -0.18 0.14 0.95 0.00 0.00 175.26 176.30 2k3f s VAL 139 N -2.30 2.48 -0.44 1.83 -7.23 -1.25 -1.71 120.40 111.78 2k3f s VAL 139 Ca 0.44 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.82 2k3f s VAL 139 Cb -0.10 -2.01 0.22 0.00 0.56 0.00 0.00 36.38 35.04 2k3f s VAL 139 CO 0.35 0.54 0.58 1.33 -0.31 0.00 0.00 175.10 177.58 2k3f n VAL 140 N 3.77 -0.60 0.36 1.32 0.24 0.32 -4.79 118.33 118.95 2k3f n VAL 140 Ca -0.19 -2.85 0.03 0.00 -2.04 0.00 0.00 64.34 59.29 2k3f n VAL 140 Cb 0.52 -0.69 0.17 0.00 -1.47 0.00 0.00 33.84 32.37 2k3f n VAL 140 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16