#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 -0.96 -0.35 3.04 0.00 -1.26 -5.12 121.76 117.11 2k3f s ALA 2 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2k3f s ALA 2 Cb 0.00 -0.55 0.14 0.00 0.00 0.00 0.00 23.12 22.71 2k3f s ALA 2 CO 0.00 -0.20 0.23 0.15 0.00 0.00 0.00 175.76 175.94 2k3f s LYS 3 N 0.01 0.54 -0.20 0.00 1.02 -1.26 -4.83 119.74 115.02 2k3f s LYS 3 Ca -0.02 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 54.67 2k3f s LYS 3 Cb -0.03 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 2k3f s LYS 3 CO 0.01 -1.20 0.02 0.21 -0.92 0.00 0.00 175.35 173.47 2k3f s LYS 4 N 1.15 3.70 0.11 1.68 2.20 -1.26 -5.00 119.74 122.31 2k3f s LYS 4 Ca 0.18 -0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 55.00 2k3f s LYS 4 Cb -0.22 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 2k3f s LYS 4 CO -0.01 0.04 1.81 0.08 -0.36 0.00 0.00 175.35 176.91 2k3f s VAL 5 N 0.96 2.66 -0.06 4.02 1.01 -1.26 0.20 120.40 127.93 2k3f s VAL 5 Ca 0.02 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2k3f s VAL 5 Cb -0.14 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 2k3f s VAL 5 CO 0.02 -0.00 0.08 0.00 0.00 0.00 0.00 175.10 175.20 2k3f n ALA 6 N 5.84 1.96 -3.83 5.51 0.00 0.23 -4.67 120.51 125.54 2k3f n ALA 6 Ca 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 2k3f n ALA 6 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.32 -1.01 -0.07 0.00 0.00 -0.28 -4.95 121.76 113.13 2k3f s ALA 7 Ca -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2k3f s ALA 7 Cb 0.03 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2k3f s ALA 7 CO 0.34 -1.01 -0.10 -0.65 0.00 0.00 0.00 175.76 174.34 2k3f s GLN 8 N -3.05 1.51 -0.64 0.00 -1.52 -1.26 -1.21 119.66 113.50 2k3f s GLN 8 Ca 0.14 -0.32 0.01 0.00 -1.95 0.00 0.00 55.36 53.24 2k3f s GLN 8 Cb -0.05 -1.36 0.16 0.00 -0.22 0.00 0.00 33.01 31.54 2k3f s GLN 8 CO 0.09 -0.07 0.43 0.42 -0.25 0.00 0.00 175.29 175.92 2k3f s ILE 9 N 0.98 3.27 0.30 1.08 -1.09 0.20 -4.91 121.20 121.03 2k3f s ILE 9 Ca -0.09 -3.46 -0.27 0.00 -2.23 0.00 0.00 60.65 54.59 2k3f s ILE 9 Cb -0.15 -3.15 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 2k3f s ILE 9 CO 0.00 -0.90 0.99 -0.54 -1.23 0.00 0.00 174.94 173.25 2k3f s LYS 10 N -0.59 4.60 -0.23 2.79 1.02 -1.26 -1.54 119.74 124.53 2k3f s LYS 10 Ca 0.20 1.48 -0.18 0.00 0.02 0.00 0.00 55.97 57.50 2k3f s LYS 10 Cb -0.18 -2.96 0.06 0.00 -0.52 0.00 0.00 37.83 34.24 2k3f s LYS 10 CO -0.06 0.27 0.60 -1.17 -0.92 0.00 0.00 175.35 174.07 2k3f s LEU 11 N -1.80 -0.45 -0.37 3.17 2.96 -1.10 -4.97 118.68 116.11 2k3f s LEU 11 Ca 0.48 1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 55.47 2k3f s LEU 11 Cb -0.23 2.04 0.00 0.00 0.50 0.00 0.00 46.19 48.50 2k3f s LEU 11 CO 0.30 -0.22 0.42 -1.10 -1.32 0.00 0.00 176.35 174.43 2k3f s GLN 12 N 0.88 3.40 0.03 1.98 -0.21 -1.26 0.63 119.66 125.11 2k3f s GLN 12 Ca -0.04 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 54.88 2k3f s GLN 12 Cb -0.05 -3.87 -0.02 0.00 1.00 0.00 0.00 33.01 30.07 2k3f s GLN 12 CO -0.07 -0.67 -0.11 -0.51 -2.12 0.00 0.00 175.29 171.80 2k3f s LEU 13 N 2.14 2.17 -0.05 2.90 1.43 0.41 -4.85 118.68 122.82 2k3f s LEU 13 Ca 0.13 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2k3f s LEU 13 Cb -0.16 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2k3f s LEU 13 CO 0.13 -0.02 1.39 -2.84 0.23 0.00 0.00 176.35 175.23 2k3f s PRO 14 N -1.08 4.26 0.16 1.29 0.02 -1.23 0.13 135.00 138.55 2k3f s PRO 14 Ca -0.01 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 2k3f s PRO 14 Cb -0.07 -3.68 -0.11 0.00 0.02 0.00 0.00 34.50 30.65 2k3f s PRO 14 CO 0.01 -0.63 1.78 0.00 -0.33 0.00 0.00 177.00 177.83 2k3f s ALA 15 N 2.90 3.85 0.00 -1.55 0.00 0.34 0.05 121.76 127.34 2k3f s ALA 15 Ca 0.62 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2k3f s ALA 15 Cb -0.29 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2k3f s ALA 15 CO 0.24 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2k3f n GLY 16 N 4.12 1.09 2.63 0.00 0.00 -1.25 -0.48 105.19 111.29 2k3f n GLY 16 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 0.10 -0.28 1.61 2.47 0.11 -4.97 119.74 118.62 2k3f s LYS 17 Ca 0.00 -0.08 -0.15 0.00 -1.56 0.00 0.00 55.97 54.18 2k3f s LYS 17 Cb 0.00 -1.76 0.09 0.00 -1.46 0.00 0.00 37.83 34.71 2k3f s LYS 17 CO 0.00 -0.64 0.73 0.00 0.16 0.00 0.00 175.35 175.60 2k3f s ALA 18 N 2.12 -1.96 -0.47 3.13 0.00 -1.26 -3.55 121.76 119.77 2k3f s ALA 18 Ca 0.02 2.39 0.06 0.00 0.00 0.00 0.00 51.96 54.43 2k3f s ALA 18 Cb -0.16 -1.51 0.27 0.00 0.00 0.00 0.00 23.12 21.72 2k3f s ALA 18 CO -0.08 -0.43 0.94 0.25 0.00 0.00 0.00 175.76 176.43 2k3f n THR 19 N 4.35 -0.03 -1.52 0.00 -2.24 -1.26 -4.85 114.28 108.72 2k3f n THR 19 Ca -0.19 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 2k3f n THR 19 Cb 0.58 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 2k3f n THR 19 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2k3f n PRO 20 N 1.23 -0.62 -0.56 -0.78 -0.02 -1.26 -4.91 135.00 128.07 2k3f n PRO 20 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 2k3f n PRO 20 Cb 0.65 0.00 0.22 0.00 -0.02 0.00 0.00 33.50 34.35 2k3f n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 21 N -0.60 -3.00 -0.29 3.55 0.00 -1.26 -4.05 120.51 114.86 2k3f n ALA 21 Ca 0.00 -1.12 0.18 0.00 0.00 0.00 0.00 53.44 52.50 2k3f n ALA 21 Cb 0.00 -1.89 0.33 0.00 0.00 0.00 0.00 19.45 17.89 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 -4.02 -0.06 -0.13 0.00 -0.02 -1.26 -0.92 135.00 128.58 2k3f n PRO 22 Ca 0.04 1.24 -0.03 0.00 -2.02 0.00 0.00 63.50 62.72 2k3f n PRO 22 Cb 0.56 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2k3f n PRO 22 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2k3f n PRO 23 N -5.12 -0.14 -0.07 0.52 -0.01 -1.26 -4.00 135.00 124.92 2k3f n PRO 23 Ca 0.24 0.97 -0.08 0.00 -0.01 0.00 0.00 63.50 64.62 2k3f n PRO 23 Cb 0.80 -1.45 -0.05 0.00 -0.01 0.00 0.00 33.50 32.79 2k3f n PRO 23 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 2k3f h VAL 24 N 0.00 0.48 -0.09 -1.45 2.07 -1.32 -3.25 116.25 112.70 2k3f h VAL 24 Ca 0.05 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.11 2k3f h VAL 24 Cb 0.13 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2k3f h VAL 24 CO -0.30 0.16 -0.13 1.23 0.02 0.00 0.00 177.57 178.56 2k3f h GLY 25 N -1.00 -1.69 0.20 2.17 0.00 -1.64 -0.94 103.07 100.17 2k3f h GLY 25 Ca -0.07 0.79 0.12 0.00 0.00 0.00 0.00 47.33 48.16 2k3f h GLY 25 CO -0.05 -0.58 0.17 -2.55 0.00 0.00 0.00 176.54 173.53 2k3f h PRO 26 N -0.10 0.30 0.00 4.80 0.11 -1.80 0.21 132.00 135.53 2k3f h PRO 26 Ca 0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k3f h PRO 26 Cb 0.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2k3f h PRO 26 CO -0.13 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 177.86 2k3f n ALA 27 N -2.56 -0.02 -0.09 -0.75 0.00 -0.61 -1.98 120.51 114.50 2k3f n ALA 27 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 27 Cb 0.33 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2k3f n ALA 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k3f h LEU 28 N 0.00 0.52 -1.19 0.00 3.38 -1.29 -3.26 115.31 113.47 2k3f h LEU 28 Ca 0.00 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.63 2k3f h LEU 28 Cb 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2k3f h LEU 28 CO 0.00 0.78 0.56 1.23 0.09 0.00 0.00 178.44 181.10 2k3f h GLY 29 N 0.25 1.21 2.00 0.83 0.00 -0.67 0.32 103.07 107.01 2k3f h GLY 29 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2k3f h GLY 29 CO 0.03 0.34 -0.05 -1.61 0.00 0.00 0.00 176.54 175.25 2k3f h GLN 30 N 1.03 0.00 -0.64 4.80 4.15 -1.44 0.16 115.11 123.17 2k3f h GLN 30 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 2k3f h GLN 30 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2k3f h GLN 30 CO -0.11 0.05 0.00 0.72 -1.93 0.00 0.00 178.83 177.56 2k3f n HIS 31 N -3.30 1.64 -0.80 3.99 8.25 0.11 -4.91 115.22 120.19 2k3f n HIS 31 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 2k3f n HIS 31 Cb 0.21 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 0.94 0.81 3.80 -1.41 0.00 0.56 -4.91 105.19 104.99 2k3f n GLY 32 Ca 0.25 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 -3.14 4.21 -0.90 1.61 1.01 -0.80 -4.91 120.40 117.49 2k3f s VAL 33 Ca 0.00 1.52 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 2k3f s VAL 33 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2k3f s VAL 33 CO 0.00 -0.15 1.88 0.54 0.00 0.00 0.00 175.10 177.36 2k3f s ASN 34 N -1.94 5.32 0.28 3.32 2.20 -1.26 -4.09 114.94 118.76 2k3f s ASN 34 Ca 0.59 -0.70 0.01 0.00 -0.94 0.00 0.00 52.86 51.81 2k3f s ASN 34 Cb -0.14 -2.56 0.56 0.00 -2.00 0.00 0.00 41.25 37.12 2k3f s ASN 34 CO 0.18 -2.57 1.81 0.40 -2.94 0.00 0.00 177.10 173.98 2k3f h ILE 35 N 7.17 0.84 -0.18 0.54 1.08 -1.92 0.51 117.51 125.55 2k3f h ILE 35 Ca 0.08 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2k3f h ILE 35 Cb 1.02 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2k3f h ILE 35 CO 1.24 0.15 0.01 0.24 -0.69 0.00 0.00 178.15 179.10 2k3f h MET 36 N 0.85 0.31 -0.81 2.37 2.86 -1.98 0.60 114.93 119.14 2k3f h MET 36 Ca 0.49 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 58.07 2k3f h MET 36 Cb 0.58 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 2k3f h MET 36 CO -0.31 0.51 0.53 1.49 1.06 0.00 0.00 176.91 180.20 2k3f h GLU 37 N 0.07 0.96 0.40 1.72 4.81 -1.82 0.68 114.58 121.40 2k3f h GLU 37 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k3f h GLU 37 Cb 0.37 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2k3f h GLU 37 CO 0.01 0.63 -0.47 0.35 -0.73 0.00 0.00 179.01 178.80 2k3f h PHE 38 N 0.98 -1.30 -0.03 0.92 3.57 -0.37 -0.64 116.94 120.08 2k3f h PHE 38 Ca 0.32 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2k3f h PHE 38 Cb 0.05 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2k3f h PHE 38 CO -0.00 -0.62 -0.22 0.00 -2.23 0.00 0.00 178.31 175.24 2k3f h LYS 40 N -0.33 0.00 0.13 0.00 1.79 0.34 -0.92 116.57 117.58 2k3f h LYS 40 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2k3f h LYS 40 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2k3f h LYS 40 CO -0.22 0.07 -0.06 0.00 -1.08 0.00 0.00 179.45 178.15 2k3f h ARG 41 N 0.00 -0.17 -0.88 3.15 3.08 -0.01 -3.17 114.38 116.39 2k3f h ARG 41 Ca -0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 2k3f h ARG 41 Cb 0.40 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 2k3f h ARG 41 CO 0.01 -0.11 0.47 0.35 -1.07 0.00 0.00 179.97 179.62 2k3f h PHE 42 N -0.80 0.83 0.01 3.04 3.57 0.53 0.44 116.94 124.56 2k3f h PHE 42 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k3f h PHE 42 Cb 0.14 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2k3f h PHE 42 CO 0.01 0.22 -0.00 -0.91 -2.23 0.00 0.00 178.31 175.39 2k3f h ASN 43 N 0.67 -0.01 -0.70 0.41 -0.26 -1.35 0.31 115.58 114.65 2k3f h ASN 43 Ca 0.48 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 56.14 2k3f h ASN 43 Cb 0.66 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.89 2k3f h ASN 43 CO -0.35 0.04 0.32 0.00 -1.06 0.00 0.00 177.43 176.37 2k3f h ALA 44 N 0.94 0.91 -0.37 -0.83 0.00 -0.84 -1.99 119.26 117.07 2k3f h ALA 44 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k3f h ALA 44 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k3f h ALA 44 CO 0.00 0.50 0.02 0.93 0.00 0.00 0.00 179.25 180.70 2k3f h GLU 45 N 0.99 0.64 -0.19 0.00 4.39 0.11 -3.04 114.58 117.47 2k3f h GLU 45 Ca 0.24 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2k3f h GLU 45 Cb 0.15 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k3f h GLU 45 CO -0.03 0.73 0.00 0.25 -1.16 0.00 0.00 179.01 178.80 2k3f n THR 46 N -4.51 0.25 -0.34 1.13 -2.24 0.11 -4.27 114.28 104.41 2k3f n THR 46 Ca -0.01 -0.37 0.22 0.00 -2.27 0.00 0.00 64.05 61.61 2k3f n THR 46 Cb 0.26 0.36 0.44 0.00 -2.10 0.00 0.00 70.33 69.29 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 4.00 1.88 -0.05 6.98 0.00 -1.24 0.12 119.26 130.95 2k3f h ALA 47 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2k3f h ALA 47 Cb 0.49 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k3f h ALA 47 CO 0.00 -0.48 -0.66 -0.44 0.00 0.00 0.00 179.25 177.67 2k3f h ASP 48 N 0.39 0.26 -0.60 0.00 3.32 -1.84 -3.08 116.42 114.87 2k3f h ASP 48 Ca 0.70 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.59 2k3f h ASP 48 Cb 1.52 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2k3f h ASP 48 CO -0.57 0.85 0.00 0.29 -1.72 0.00 0.00 179.24 178.09 2k3f n LYS 49 N -3.82 4.33 -1.57 3.56 5.02 0.33 -5.00 118.16 121.00 2k3f n LYS 49 Ca -0.03 -2.98 -0.43 0.00 -2.02 0.00 0.00 58.31 52.86 2k3f n LYS 49 Cb 0.66 -2.09 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.85 -0.32 -0.23 7.82 0.00 -0.63 -3.31 120.51 124.69 2k3f n ALA 50 Ca 0.27 0.29 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2k3f n ALA 50 Cb 1.05 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.31 0.86 2.82 0.00 0.00 0.37 -4.95 105.19 105.59 2k3f n GLY 51 Ca 0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.50 0.00 -0.82 1.61 1.00 -1.21 -4.92 119.30 114.47 2k3f s MET 52 Ca 0.00 0.26 -0.25 0.00 0.00 0.00 0.00 55.69 55.69 2k3f s MET 52 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 34.83 34.54 2k3f s MET 52 CO 0.00 -0.17 2.04 0.42 0.00 0.00 0.00 175.02 177.31 2k3f s ILE 53 N 1.14 3.33 -0.01 2.53 -1.09 -1.26 0.12 121.20 125.97 2k3f s ILE 53 Ca -0.09 -0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 57.85 2k3f s ILE 53 Cb -0.13 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2k3f s ILE 53 CO -0.04 -0.72 0.93 -0.76 -1.23 0.00 0.00 174.94 173.12 2k3f s LEU 54 N 10.92 4.36 -0.55 2.97 1.43 0.35 -4.73 118.68 133.42 2k3f s LEU 54 Ca 0.75 1.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.15 2k3f s LEU 54 Cb -0.09 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2k3f s LEU 54 CO 0.05 -0.23 1.73 -2.84 0.23 0.00 0.00 176.35 175.29 2k3f s PRO 55 N 0.97 2.93 0.31 1.29 0.02 -1.26 -0.45 135.00 138.81 2k3f s PRO 55 Ca 0.49 0.70 -0.03 0.00 0.02 0.00 0.00 61.00 62.18 2k3f s PRO 55 Cb -0.20 -4.28 -0.04 0.00 0.02 0.00 0.00 34.50 29.99 2k3f s PRO 55 CO 0.26 -2.37 0.55 0.54 -0.33 0.00 0.00 177.00 175.65 2k3f s VAL 56 N 7.86 5.06 -0.10 3.83 0.11 0.21 0.37 120.40 137.75 2k3f s VAL 56 Ca 0.65 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2k3f s VAL 56 Cb -0.14 -3.78 0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2k3f s VAL 56 CO 0.24 -0.40 0.02 -0.69 -3.33 0.00 0.00 175.10 170.93 2k3f s VAL 57 N -2.16 0.33 -0.11 2.04 1.01 0.08 -2.71 120.40 118.89 2k3f s VAL 57 Ca 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2k3f s VAL 57 Cb -0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2k3f s VAL 57 CO 0.32 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.88 2k3f s ILE 58 N 1.98 3.77 -0.45 2.22 1.01 -0.59 -0.07 121.20 129.07 2k3f s ILE 58 Ca 0.04 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2k3f s ILE 58 Cb -0.13 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.86 2k3f s ILE 58 CO -0.06 0.55 0.20 -0.89 0.00 0.00 0.00 174.94 174.74 2k3f s THR 59 N -0.24 2.76 0.08 2.92 2.01 0.43 0.59 115.64 124.20 2k3f s THR 59 Ca 0.04 -2.70 -0.22 0.00 0.31 0.00 0.00 61.69 59.12 2k3f s THR 59 Cb -0.13 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 2k3f s THR 59 CO 0.02 -0.72 0.68 0.54 -0.69 0.00 0.00 174.62 174.45 2k3f s VAL 60 N 0.42 4.65 0.45 3.82 0.11 -0.35 -2.45 120.40 127.05 2k3f s VAL 60 Ca 0.13 1.45 -0.00 0.00 -2.93 0.00 0.00 61.98 60.63 2k3f s VAL 60 Cb -0.22 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.60 2k3f s VAL 60 CO -0.04 0.49 0.67 -0.31 -3.33 0.00 0.00 175.10 172.58 2k3f s TYR 61 N -0.77 3.26 0.61 1.54 2.02 0.11 0.74 117.35 124.87 2k3f s TYR 61 Ca 0.33 0.28 0.44 0.00 -0.37 0.00 0.00 57.07 57.75 2k3f s TYR 61 Cb -0.21 -2.29 2.35 0.00 -0.40 0.00 0.00 41.96 41.42 2k3f s TYR 61 CO 0.22 -0.33 2.34 1.05 -1.57 0.00 0.00 175.55 177.26 2k3f h GLU 62 N 0.41 0.00 0.00 -0.62 -0.00 -0.52 -1.20 114.58 112.65 2k3f h GLU 62 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 2k3f h GLU 62 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2k3f h GLU 62 CO 0.58 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 179.34 2k3f n ASP 63 N -3.06 0.00 0.00 3.06 9.92 -1.26 -4.81 116.55 120.39 2k3f n ASP 63 Ca -0.03 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2k3f n ASP 63 Cb 0.09 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2k3f n LYS 64 N -1.23 0.00 -1.37 -1.24 4.76 -0.45 -5.03 118.16 113.59 2k3f n LYS 64 Ca 0.15 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 2k3f n LYS 64 Cb 0.21 -1.95 0.15 0.00 -1.84 0.00 0.00 35.03 31.60 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 -3.12 3.29 0.16 4.39 0.01 -1.24 -4.42 113.70 112.77 2k3f s SER 65 Ca 0.00 1.14 -0.23 0.00 1.31 0.00 0.00 55.95 58.17 2k3f s SER 65 Cb 0.00 -1.77 0.08 0.00 0.21 0.00 0.00 66.02 64.53 2k3f s SER 65 CO 0.00 -2.71 1.07 2.22 0.41 0.00 0.00 173.24 174.24 2k3f n PHE 66 N -3.89 -1.26 -3.79 2.43 -1.74 -1.26 0.09 117.46 108.03 2k3f n PHE 66 Ca 0.06 -1.23 -0.07 0.00 -0.56 0.00 0.00 57.45 55.65 2k3f n PHE 66 Cb 0.58 0.59 -0.02 0.00 1.52 0.00 0.00 39.48 42.15 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 -2.05 0.00 0.01 1.97 -4.23 -1.02 -4.94 115.64 105.37 2k3f s THR 67 Ca 0.24 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 2k3f s THR 67 Cb -0.03 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 72.04 2k3f s THR 67 CO 0.05 0.00 0.77 0.72 -0.54 0.00 0.00 174.62 175.62 2k3f s PHE 68 N -3.85 -0.48 0.33 3.99 -0.71 -1.26 -0.43 117.98 115.57 2k3f s PHE 68 Ca 0.10 0.54 0.06 0.00 -1.04 0.00 0.00 56.93 56.59 2k3f s PHE 68 Cb -0.05 0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 42.19 2k3f s PHE 68 CO 0.04 -0.62 -0.01 0.42 -1.34 0.00 0.00 175.22 173.71 2k3f s ILE 69 N -2.51 1.68 -0.13 -4.49 1.01 0.90 -4.94 121.20 112.72 2k3f s ILE 69 Ca -0.01 -2.07 0.02 0.00 0.00 0.00 0.00 60.65 58.59 2k3f s ILE 69 Cb -0.01 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2k3f s ILE 69 CO -0.04 -0.13 -0.19 -0.63 0.00 0.00 0.00 174.94 173.95 2k3f s ILE 70 N -2.96 1.86 -0.68 2.92 -1.09 -1.26 -0.74 121.20 119.24 2k3f s ILE 70 Ca 0.33 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 2k3f s ILE 70 Cb 0.07 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 2k3f s ILE 70 CO 0.15 0.51 1.33 -0.54 -1.23 0.00 0.00 174.94 175.16 2k3f s LYS 71 N 0.92 3.20 0.41 2.79 -0.14 0.16 -4.87 119.74 122.21 2k3f s LYS 71 Ca -0.06 -0.02 0.11 0.00 -1.36 0.00 0.00 55.97 54.64 2k3f s LYS 71 Cb -0.15 -4.17 0.92 0.00 -1.68 0.00 0.00 37.83 32.76 2k3f s LYS 71 CO -0.03 -2.10 1.97 1.79 -0.76 0.00 0.00 175.35 176.21 2k3f h THR 72 N 6.16 0.93 -0.78 2.17 1.35 -1.91 -3.36 112.91 117.48 2k3f h THR 72 Ca -0.27 -0.18 0.14 0.00 -0.55 0.00 0.00 66.41 65.54 2k3f h THR 72 Cb 1.07 0.35 -0.14 0.00 -1.73 0.00 0.00 68.15 67.70 2k3f h THR 72 CO 1.25 0.10 -0.25 -2.65 -0.25 0.00 0.00 175.52 173.71 2k3f n PRO 73 N -4.48 -0.13 -1.56 4.72 -0.01 -1.26 -4.03 135.00 128.25 2k3f n PRO 73 Ca 0.10 1.21 -0.39 0.00 -0.01 0.00 0.00 63.50 64.42 2k3f n PRO 73 Cb 0.33 -1.81 -0.04 0.00 -0.01 0.00 0.00 33.50 31.98 2k3f n PRO 73 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2k3f n PRO 74 N -5.21 1.27 -0.00 0.52 -0.04 -1.26 -4.79 135.00 125.50 2k3f n PRO 74 Ca 0.10 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 2k3f n PRO 74 Cb 0.35 -3.27 0.87 0.00 -0.04 0.00 0.00 33.50 31.41 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3f n ALA 75 N 14.23 2.67 0.27 0.55 0.00 -1.26 -3.99 120.51 132.99 2k3f n ALA 75 Ca 0.36 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 75 Cb 0.48 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 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 0.26 -0.56 1.11 0.00 0.87 -1.90 -0.83 113.55 112.50 2k3f h SER 76 Ca 0.00 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2k3f h SER 76 Cb 0.06 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2k3f h SER 76 CO 0.00 -0.34 -0.67 2.19 -0.53 0.00 0.00 176.83 177.48 2k3f h PHE 77 N -0.75 0.00 -0.02 2.24 -0.00 -1.96 -0.56 116.94 115.89 2k3f h PHE 77 Ca -0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.81 2k3f h PHE 77 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.50 2k3f h PHE 77 CO -0.02 0.67 -0.33 -0.07 -0.00 0.00 0.00 178.31 178.55 2k3f h LEU 78 N 0.00 0.32 -1.12 2.10 -0.00 -1.77 -2.72 115.31 112.13 2k3f h LEU 78 Ca -0.01 -0.74 -0.05 0.00 -0.00 0.00 0.00 57.88 57.08 2k3f h LEU 78 Cb 1.40 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.94 2k3f h LEU 78 CO 0.09 1.02 0.03 0.25 -0.00 0.00 0.00 178.44 179.83 2k3f h LEU 79 N -0.34 0.61 -1.76 1.67 6.46 -1.13 0.86 115.31 121.69 2k3f h LEU 79 Ca -0.04 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 2k3f h LEU 79 Cb 1.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2k3f h LEU 79 CO 0.07 0.66 0.09 0.50 -0.62 0.00 0.00 178.44 179.14 2k3f h LYS 80 N 0.63 0.24 -0.70 1.25 3.64 -1.15 0.16 116.57 120.64 2k3f h LYS 80 Ca 0.13 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2k3f h LYS 80 Cb 0.34 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 2k3f h LYS 80 CO 0.01 0.19 0.28 -0.22 -2.27 0.00 0.00 179.45 177.44 2k3f h LYS 81 N 0.25 0.43 -0.05 1.90 3.64 -0.49 0.34 116.57 122.60 2k3f h LYS 81 Ca 0.07 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2k3f h LYS 81 Cb 0.03 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2k3f h LYS 81 CO -0.01 0.28 -0.25 0.00 -2.27 0.00 0.00 179.45 177.20 2k3f h ALA 82 N 1.49 0.10 -0.73 5.00 0.00 -1.41 -3.37 119.26 120.33 2k3f h ALA 82 Ca 0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k3f h ALA 82 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k3f h ALA 82 CO -0.36 0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.30 2k3f h ALA 83 N 0.39 1.14 0.00 0.00 0.00 0.29 -3.46 119.26 117.63 2k3f h ALA 83 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3f h ALA 83 Cb 0.91 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k3f h ALA 83 CO 0.05 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2k3f n GLY 84 N -0.95 2.65 3.72 0.00 0.00 0.11 -4.29 105.19 106.44 2k3f n GLY 84 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 0.27 -1.85 -0.61 -5.35 -1.26 -4.83 119.36 103.74 2k3f n ILE 85 Ca 0.00 -0.07 -0.02 0.00 -0.27 0.00 0.00 62.75 62.39 2k3f n ILE 85 Cb 0.00 -1.94 -0.01 0.00 -1.74 0.00 0.00 39.64 35.95 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 3.44 0.09 0.11 6.28 2.13 -1.26 -4.94 120.64 126.49 2k3f n GLU 86 Ca 0.14 -0.39 0.00 0.00 0.66 0.00 0.00 57.16 57.57 2k3f n GLU 86 Cb 0.35 0.44 0.00 0.00 0.27 0.00 0.00 31.44 32.50 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k3f n LYS 87 N -0.11 0.00 0.00 5.31 3.00 -1.26 -5.15 118.16 119.95 2k3f n LYS 87 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2k3f n LYS 87 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3f n GLY 88 N -1.33 -0.50 3.64 3.14 0.00 -1.26 -5.16 105.19 103.71 2k3f n GLY 88 Ca 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 2.00 -0.60 0.00 1.61 0.15 -1.26 -4.84 113.70 110.77 2k3f s SER 89 Ca 0.00 1.07 0.28 0.00 0.70 0.00 0.00 55.95 58.00 2k3f s SER 89 Cb 0.00 1.14 1.28 0.00 -1.71 0.00 0.00 66.02 66.73 2k3f s SER 89 CO 0.00 -0.18 1.93 -1.20 1.20 0.00 0.00 173.24 174.99 2k3f n SER 90 N 2.94 0.00 -3.13 5.45 7.64 -1.26 -4.70 113.62 120.55 2k3f n SER 90 Ca -0.15 0.26 0.05 0.00 1.01 0.00 0.00 58.87 60.04 2k3f n SER 90 Cb 0.56 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2k3f n SER 90 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k3f s GLU 91 N -2.84 0.19 -0.47 1.43 2.56 -1.26 -5.12 118.70 113.20 2k3f s GLU 91 Ca 0.19 0.17 -0.23 0.00 0.00 0.00 0.00 54.97 55.10 2k3f s GLU 91 Cb 0.19 0.08 0.03 0.00 2.00 0.00 0.00 34.13 36.43 2k3f s GLU 91 CO 0.48 -0.35 0.79 -1.25 -0.56 0.00 0.00 175.26 174.37 2k3f s PRO 92 N 2.89 3.37 0.00 4.30 0.04 -1.26 -4.67 135.00 139.66 2k3f s PRO 92 Ca 0.25 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2k3f s PRO 92 Cb -0.02 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2k3f s PRO 92 CO -0.23 -1.17 0.00 0.36 0.04 0.00 0.00 177.00 176.00 2k3f n LYS 93 N 6.76 0.00 0.11 4.56 2.85 -1.25 -4.77 118.16 126.42 2k3f n LYS 93 Ca 0.01 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.09 2k3f n LYS 93 Cb 0.48 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.73 2k3f n LYS 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3f h ARG 94 N 0.00 0.39 0.00 -1.58 -0.00 -2.04 -3.45 114.38 107.70 2k3f h ARG 94 Ca 0.00 -0.60 0.00 0.00 -0.50 0.00 0.00 59.98 58.88 2k3f h ARG 94 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.18 2k3f h ARG 94 CO 0.00 1.27 0.00 1.17 0.00 0.00 0.00 179.97 182.41 2k3f n LYS 95 N -3.63 0.00 -2.12 0.04 3.00 -1.26 -5.16 118.16 109.03 2k3f n LYS 95 Ca -0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.93 2k3f n LYS 95 Cb 1.01 0.00 0.15 0.00 0.00 0.00 0.00 35.03 36.19 2k3f n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2k3f s ILE 96 N 0.00 2.06 0.00 3.15 1.01 -1.26 -4.91 121.20 121.24 2k3f s ILE 96 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2k3f s ILE 96 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.59 2k3f s ILE 96 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 174.94 175.49 2k3f n VAL 97 N -3.43 0.00 -3.52 2.92 3.14 -0.53 -3.82 118.33 113.10 2k3f n VAL 97 Ca 0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 2k3f n VAL 97 Cb 0.60 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 33.00 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 -4.20 -0.45 0.22 7.55 0.00 -1.23 -4.61 107.32 104.60 2k3f s GLY 98 Ca 0.00 1.29 -0.00 0.00 0.00 0.00 0.00 44.72 46.01 2k3f s GLY 98 CO 0.00 0.64 0.11 -1.59 0.00 0.00 0.00 173.10 172.26 2k3f s LYS 99 N -2.24 1.27 0.00 2.90 -2.85 -1.26 -2.74 119.74 114.81 2k3f s LYS 99 Ca -0.01 -1.67 0.00 0.00 -1.00 0.00 0.00 55.97 53.29 2k3f s LYS 99 Cb -0.01 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2k3f s LYS 99 CO -0.03 -0.35 0.00 1.33 0.10 0.00 0.00 175.35 176.41 2k3f n VAL 100 N -0.34 0.00 -3.65 1.79 0.24 0.12 -4.66 118.33 111.84 2k3f n VAL 100 Ca 0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 2k3f n VAL 100 Cb 0.66 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.38 0.02 0.32 3.34 -4.23 -1.26 -0.02 115.64 113.44 2k3f s THR 101 Ca 0.00 -0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.40 2k3f s THR 101 Cb 0.00 -0.79 0.34 0.00 1.34 0.00 0.00 72.50 73.39 2k3f s THR 101 CO 0.00 -0.11 1.63 0.03 -0.54 0.00 0.00 174.62 175.63 2k3f h ARG 102 N 3.78 0.19 -0.65 3.99 2.47 -1.84 -0.03 114.38 122.28 2k3f h ARG 102 Ca -0.28 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.47 2k3f h ARG 102 Cb 1.16 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.39 2k3f h ARG 102 CO 0.36 0.12 0.38 -0.22 0.56 0.00 0.00 179.97 181.17 2k3f h LYS 103 N 0.19 0.69 0.00 0.04 1.63 -1.95 0.66 116.57 117.83 2k3f h LYS 103 Ca 0.67 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2k3f h LYS 103 Cb 1.51 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2k3f h LYS 103 CO -0.69 0.46 -0.00 1.96 -3.45 0.00 0.00 179.45 177.73 2k3f h GLN 104 N 0.71 -0.00 -0.96 1.90 7.50 -1.43 -1.62 115.11 121.21 2k3f h GLN 104 Ca 0.28 0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.58 2k3f h GLN 104 Cb 0.12 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.50 2k3f h GLN 104 CO -0.15 0.01 -0.38 0.82 -1.50 0.00 0.00 178.83 177.63 2k3f h ILE 105 N -0.02 0.02 -0.48 2.54 1.08 -0.80 -2.05 117.51 117.80 2k3f h ILE 105 Ca -0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2k3f h ILE 105 Cb 0.02 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 33.69 2k3f h ILE 105 CO 0.00 0.00 -0.19 -0.08 -0.69 0.00 0.00 178.15 177.19 2k3f h GLU 106 N -0.02 -0.08 0.13 2.37 4.81 0.06 0.55 114.58 122.40 2k3f h GLU 106 Ca 0.34 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2k3f h GLU 106 Cb 0.59 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2k3f h GLU 106 CO -0.96 -0.06 -0.49 0.93 -0.73 0.00 0.00 179.01 177.70 2k3f h GLU 107 N -0.09 -0.69 -0.51 1.92 5.08 -0.81 0.47 114.58 119.97 2k3f h GLU 107 Ca 0.23 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2k3f h GLU 107 Cb 0.44 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2k3f h GLU 107 CO -0.54 -0.46 -0.27 0.82 -1.00 0.00 0.00 179.01 177.56 2k3f h ILE 108 N -0.71 0.26 -0.84 3.13 1.08 -0.99 0.19 117.51 119.63 2k3f h ILE 108 Ca -0.01 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.65 2k3f h ILE 108 Cb 0.71 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 2k3f h ILE 108 CO -0.26 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 177.76 2k3f h ALA 109 N 1.08 2.20 0.13 1.87 0.00 0.97 -1.78 119.26 123.73 2k3f h ALA 109 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2k3f h ALA 109 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k3f h ALA 109 CO -0.60 -0.46 -0.06 0.87 0.00 0.00 0.00 179.25 179.00 2k3f h LYS 110 N 0.39 -0.16 -0.58 0.00 1.57 0.28 -1.15 116.57 116.91 2k3f h LYS 110 Ca 0.43 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.31 2k3f h LYS 110 Cb 1.07 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2k3f h LYS 110 CO -0.15 0.31 0.39 0.00 -0.57 0.00 0.00 179.45 179.43 2k3f h THR 111 N -0.85 0.92 -0.02 -0.16 1.03 -0.70 -0.85 112.91 112.28 2k3f h THR 111 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 2k3f h THR 111 Cb 0.55 0.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 2k3f h THR 111 CO 0.03 0.08 -0.11 0.29 -0.01 0.00 0.00 175.52 175.80 2k3f n LYS 112 N -4.47 1.84 -0.22 0.00 5.02 -0.69 -4.53 118.16 115.12 2k3f n LYS 112 Ca 0.09 -1.41 0.03 0.00 -2.02 0.00 0.00 58.31 54.99 2k3f n LYS 112 Cb 0.34 -1.47 0.13 0.00 -0.02 0.00 0.00 35.03 34.01 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2k3f h MET 113 N 3.45 0.16 0.00 1.97 4.05 0.18 0.59 114.93 125.33 2k3f h MET 113 Ca 0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2k3f h MET 113 Cb 0.80 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2k3f h MET 113 CO 0.00 0.11 -0.11 -1.00 0.23 0.00 0.00 176.91 176.14 2k3f h PRO 114 N 0.17 0.00 0.01 0.39 0.13 -1.79 -3.26 132.00 127.65 2k3f h PRO 114 Ca 0.35 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 65.08 2k3f h PRO 114 Cb 0.59 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 2k3f h PRO 114 CO -0.52 0.11 -2.34 -3.47 -0.23 0.00 0.00 178.00 171.54 2k3f n ASP 115 N -3.91 1.98 -1.96 1.44 -0.08 0.10 -4.55 116.55 109.58 2k3f n ASP 115 Ca -0.02 0.12 -0.01 0.00 -1.51 0.00 0.00 54.79 53.37 2k3f n ASP 115 Cb 0.20 -0.66 -0.01 0.00 2.34 0.00 0.00 41.12 42.99 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 -3.74 1.66 -2.10 -2.67 4.32 0.18 -4.70 117.00 109.95 2k3f n LEU 116 Ca -0.46 -0.88 0.00 0.00 -0.02 0.00 0.00 56.01 54.65 2k3f n LEU 116 Cb 0.93 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2k3f n LEU 116 CO 0.19 0.29 0.00 -3.20 -1.22 0.00 0.00 177.39 173.45 2k3f n ASN 117 N 2.07 0.00 0.00 -1.43 5.15 -1.26 -4.77 115.26 115.01 2k3f n ASN 117 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2k3f n ASN 117 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f n ALA 118 N -0.72 -0.04 0.00 5.20 0.00 -1.23 -4.91 120.51 118.81 2k3f n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3f n ALA 118 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.68 0.00 -3.76 0.00 2.85 -1.26 -4.80 115.26 107.61 2k3f n ASN 119 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 2k3f n ASN 119 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 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 0.00 -0.33 0.44 1.20 0.15 -1.26 -5.06 113.70 108.84 2k3f s SER 120 Ca 0.00 0.64 0.19 0.00 0.70 0.00 0.00 55.95 57.48 2k3f s SER 120 Cb 0.00 0.64 1.13 0.00 -1.71 0.00 0.00 66.02 66.09 2k3f s SER 120 CO 0.00 -0.11 1.90 0.25 1.20 0.00 0.00 173.24 176.48 2k3f h LEU 121 N 5.71 0.33 -0.87 3.45 7.12 -1.94 0.73 115.31 129.85 2k3f h LEU 121 Ca -0.27 0.03 0.18 0.00 0.13 0.00 0.00 57.88 57.95 2k3f h LEU 121 Cb 1.19 -0.04 -0.11 0.00 -0.53 0.00 0.00 40.66 41.17 2k3f h LEU 121 CO 0.31 0.15 0.41 -0.33 -0.13 0.00 0.00 178.44 178.85 2k3f h GLU 122 N 0.34 0.49 -0.06 1.25 5.08 -1.97 0.45 114.58 120.16 2k3f h GLU 122 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2k3f h GLU 122 Cb 1.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2k3f h GLU 122 CO -0.12 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 2k3f h ALA 123 N 1.64 0.08 -0.90 3.43 0.00 -1.17 -2.57 119.26 119.76 2k3f h ALA 123 Ca 0.51 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.39 2k3f h ALA 123 Cb 0.86 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2k3f h ALA 123 CO -0.45 -0.26 0.58 0.00 0.00 0.00 0.00 179.25 179.12 2k3f h ALA 124 N 0.74 1.71 -0.98 0.00 0.00 -1.24 -1.61 119.26 117.88 2k3f h ALA 124 Ca 0.02 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.09 2k3f h ALA 124 Cb 0.31 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2k3f h ALA 124 CO 0.00 0.07 0.60 0.52 0.00 0.00 0.00 179.25 180.44 2k3f h MET 125 N 0.81 0.83 -0.26 0.00 2.07 -0.53 -1.98 114.93 115.88 2k3f h MET 125 Ca 0.44 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 58.00 2k3f h MET 125 Cb 0.56 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 2k3f h MET 125 CO -0.20 0.55 0.10 0.87 1.07 0.00 0.00 176.91 179.30 2k3f h LYS 126 N 0.86 0.39 0.02 1.72 1.57 -1.15 0.36 116.57 120.33 2k3f h LYS 126 Ca 0.53 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.25 2k3f h LYS 126 Cb 0.67 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2k3f h LYS 126 CO -0.32 0.42 -0.40 0.82 -0.57 0.00 0.00 179.45 179.40 2k3f h ILE 127 N 0.26 0.00 0.20 1.86 2.04 -1.32 0.68 117.51 121.24 2k3f h ILE 127 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2k3f h ILE 127 Cb 0.18 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2k3f h ILE 127 CO -0.01 0.00 -0.44 0.40 0.00 0.00 0.00 178.15 178.11 2k3f h ILE 128 N -0.52 0.13 -0.77 -0.67 1.08 -1.26 0.64 117.51 116.14 2k3f h ILE 128 Ca 0.01 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.62 2k3f h ILE 128 Cb 0.55 0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 34.33 2k3f h ILE 128 CO -0.26 0.00 0.33 -0.08 -0.69 0.00 0.00 178.15 177.45 2k3f h GLU 129 N -0.73 0.46 -0.16 2.37 4.57 -0.91 0.28 114.58 120.47 2k3f h GLU 129 Ca 0.00 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2k3f h GLU 129 Cb 0.72 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2k3f h GLU 129 CO -0.20 0.30 -0.17 0.78 -1.18 0.00 0.00 179.01 178.54 2k3f h GLY 130 N 0.47 0.43 -0.17 1.92 0.00 0.25 0.11 103.07 106.07 2k3f h GLY 130 Ca 0.42 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2k3f h GLY 130 CO -0.40 0.40 -0.47 -0.84 0.00 0.00 0.00 176.54 175.23 2k3f h THR 131 N 0.03 0.08 -0.70 4.70 2.02 0.81 -1.36 112.91 118.49 2k3f h THR 131 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.31 2k3f h THR 131 Cb 0.70 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 2k3f h THR 131 CO 0.04 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.23 2k3f h ALA 132 N 0.08 0.95 -0.59 6.16 0.00 -0.29 -0.12 119.26 125.45 2k3f h ALA 132 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2k3f h ALA 132 Cb 0.63 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 2k3f h ALA 132 CO -0.49 -0.14 -0.38 -0.22 0.00 0.00 0.00 179.25 178.02 2k3f h LYS 133 N 0.50 -0.18 -0.11 0.00 3.64 -0.17 0.12 116.57 120.36 2k3f h LYS 133 Ca 0.36 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2k3f h LYS 133 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2k3f h LYS 133 CO -0.32 -0.12 -0.17 0.77 -2.27 0.00 0.00 179.45 177.34 2k3f h SER 134 N -0.19 0.17 0.82 4.20 0.02 -0.21 -2.98 113.55 115.38 2k3f h SER 134 Ca 0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2k3f h SER 134 Cb 0.56 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k3f h SER 134 CO -0.69 0.36 0.00 0.23 -1.14 0.00 0.00 176.83 175.59 2k3f n MET 135 N -4.26 0.11 -0.56 3.45 2.81 0.26 -4.88 117.12 114.04 2k3f n MET 135 Ca -0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2k3f n MET 135 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.24 0.69 3.66 3.03 0.00 -0.42 -4.88 105.19 108.51 2k3f n GLY 136 Ca 0.08 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 5.27 0.29 -0.61 1.09 -0.25 -1.45 121.20 123.54 2k3f s ILE 137 Ca 0.00 0.46 -0.20 0.00 -1.10 0.00 0.00 60.65 59.82 2k3f s ILE 137 Cb 0.00 -3.63 -0.09 0.00 -1.06 0.00 0.00 42.46 37.68 2k3f s ILE 137 CO 0.00 0.29 0.79 -0.70 -0.10 0.00 0.00 174.94 175.22 2k3f s GLU 138 N 1.24 4.24 -0.16 2.79 2.12 -1.11 -4.12 118.70 123.70 2k3f s GLU 138 Ca 0.14 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.39 2k3f s GLU 138 Cb -0.14 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.59 2k3f s GLU 138 CO 0.07 0.26 -0.15 0.14 -0.54 0.00 0.00 175.26 175.03 2k3f s VAL 139 N -1.75 2.61 0.42 3.70 -7.23 -1.26 -0.70 120.40 116.19 2k3f s VAL 139 Ca 0.50 -0.78 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 2k3f s VAL 139 Cb -0.14 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2k3f s VAL 139 CO 0.19 0.51 0.38 0.68 -0.31 0.00 0.00 175.10 176.55 2k3f s VAL 140 N 0.96 2.65 0.00 1.32 -7.23 0.97 -4.81 120.40 114.26 2k3f s VAL 140 Ca -0.03 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2k3f s VAL 140 Cb -0.15 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2k3f s VAL 140 CO -0.02 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.24