#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f n ALA 2 N 0.00 -1.46 -2.59 3.17 0.00 -1.26 -4.89 120.51 113.49 2k3f n ALA 2 Ca 0.00 0.50 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 2k3f n ALA 2 Cb 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 19.45 17.39 2k3f n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3f s LYS 3 N 2.63 3.91 0.01 0.00 1.02 -1.26 -4.73 119.74 121.33 2k3f s LYS 3 Ca 1.02 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 56.79 2k3f s LYS 3 Cb -1.39 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 32.22 2k3f s LYS 3 CO 0.75 -0.23 -0.21 0.15 -0.92 0.00 0.00 175.35 174.89 2k3f s LYS 4 N 1.81 2.10 0.18 1.68 -0.14 -1.26 -4.97 119.74 119.14 2k3f s LYS 4 Ca 0.08 -0.94 -0.32 0.00 -1.36 0.00 0.00 55.97 53.43 2k3f s LYS 4 Cb -0.16 -2.14 -0.11 0.00 -1.68 0.00 0.00 37.83 33.74 2k3f s LYS 4 CO 0.11 0.55 1.66 0.08 -0.76 0.00 0.00 175.35 176.99 2k3f s VAL 5 N -0.78 2.36 -0.17 3.17 1.01 -1.26 0.80 120.40 125.52 2k3f s VAL 5 Ca 0.12 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2k3f s VAL 5 Cb -0.10 -3.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 2k3f s VAL 5 CO 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 2k3f n ALA 6 N 4.14 1.61 -3.73 5.51 0.00 0.24 -4.61 120.51 123.68 2k3f n ALA 6 Ca 0.15 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 2k3f n ALA 6 Cb 0.37 0.02 0.02 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 -2.37 -0.63 -0.05 0.00 0.00 -0.35 -4.99 121.76 113.37 2k3f s ALA 7 Ca -0.19 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2k3f s ALA 7 Cb 0.06 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2k3f s ALA 7 CO 0.49 -0.97 -0.12 -0.65 0.00 0.00 0.00 175.76 174.51 2k3f s GLN 8 N -2.47 1.48 -0.76 0.00 -0.21 -1.26 -1.27 119.66 115.17 2k3f s GLN 8 Ca 0.17 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 55.16 2k3f s GLN 8 Cb -0.05 -1.27 0.18 0.00 1.00 0.00 0.00 33.01 32.87 2k3f s GLN 8 CO 0.12 0.09 0.58 0.42 -2.12 0.00 0.00 175.29 174.38 2k3f s ILE 9 N 0.41 3.42 -0.16 1.08 -1.09 0.14 -4.90 121.20 120.10 2k3f s ILE 9 Ca -0.09 -4.05 -0.28 0.00 -2.23 0.00 0.00 60.65 54.01 2k3f s ILE 9 Cb -0.13 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2k3f s ILE 9 CO 0.02 -1.02 0.95 -0.75 -1.23 0.00 0.00 174.94 172.91 2k3f s LYS 10 N -1.32 4.34 -0.25 2.79 2.20 -1.26 -1.60 119.74 124.64 2k3f s LYS 10 Ca 0.25 1.25 -0.16 0.00 -0.36 0.00 0.00 55.97 56.94 2k3f s LYS 10 Cb -0.07 -3.58 0.07 0.00 -1.51 0.00 0.00 37.83 32.74 2k3f s LYS 10 CO -0.14 -0.39 0.62 -0.48 -0.36 0.00 0.00 175.35 174.60 2k3f s LEU 11 N 2.32 -0.63 -0.18 5.43 0.05 -0.91 -4.96 118.68 119.79 2k3f s LEU 11 Ca 0.44 1.33 -0.23 0.00 0.05 0.00 0.00 54.13 55.72 2k3f s LEU 11 Cb -0.17 2.13 -0.02 0.00 -2.05 0.00 0.00 46.19 46.08 2k3f s LEU 11 CO 0.13 -0.23 0.72 -1.10 -0.55 0.00 0.00 176.35 175.32 2k3f s GLN 12 N 1.21 4.25 -0.01 1.48 1.11 -1.26 -2.62 119.66 123.83 2k3f s GLN 12 Ca -0.07 0.79 0.00 0.00 0.01 0.00 0.00 55.36 56.09 2k3f s GLN 12 Cb -0.05 -3.58 0.00 0.00 -1.01 0.00 0.00 33.01 28.37 2k3f s GLN 12 CO -0.13 -0.28 -0.01 -0.51 0.01 0.00 0.00 175.29 174.38 2k3f s LEU 13 N 2.00 1.82 0.27 2.90 1.43 -0.36 -4.83 118.68 121.91 2k3f s LEU 13 Ca 0.33 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.10 2k3f s LEU 13 Cb -0.16 -0.09 -0.12 0.00 0.03 0.00 0.00 46.19 45.84 2k3f s LEU 13 CO 0.11 -0.01 1.57 -2.65 0.23 0.00 0.00 176.35 175.61 2k3f n PRO 14 N 3.27 2.55 -1.69 1.29 -0.02 -1.14 0.87 135.00 140.13 2k3f n PRO 14 Ca -0.15 0.91 -0.44 0.00 -2.02 0.00 0.00 63.50 61.79 2k3f n PRO 14 Cb 0.58 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 2k3f n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 15 N 2.38 1.53 -0.83 3.55 0.00 0.21 -1.83 120.51 125.51 2k3f n ALA 15 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2k3f n ALA 15 Cb 0.35 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2k3f n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3f n GLY 16 N 2.42 0.66 2.37 0.00 0.00 -1.21 -3.50 105.19 105.93 2k3f n GLY 16 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2k3f n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3f n LYS 17 N -2.00 0.45 -3.66 1.61 4.76 -0.76 -5.01 118.16 113.55 2k3f n LYS 17 Ca 0.00 -3.29 -0.09 0.00 -2.87 0.00 0.00 58.31 52.06 2k3f n LYS 17 Cb 0.00 -1.61 -0.08 0.00 -1.84 0.00 0.00 35.03 31.50 2k3f n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3f s ALA 18 N -0.37 -1.58 0.00 7.82 0.00 -1.26 -3.96 121.76 122.41 2k3f s ALA 18 Ca 0.33 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.37 2k3f s ALA 18 Cb 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2k3f s ALA 18 CO -0.17 -0.34 0.00 -2.37 0.00 0.00 0.00 175.76 172.88 2k3f n THR 19 N 4.19 0.00 -3.88 0.00 5.66 -1.26 -4.64 114.28 114.35 2k3f n THR 19 Ca -0.21 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.44 2k3f n THR 19 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -1.17 3.96 0.00 1.09 0.04 -1.26 -4.59 135.00 133.07 2k3f s PRO 20 Ca 0.00 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2k3f s PRO 20 Cb 0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2k3f s PRO 20 CO 0.00 0.16 0.00 0.00 0.04 0.00 0.00 177.00 177.20 2k3f n ALA 21 N 3.92 0.00 -0.21 8.56 0.00 -1.26 -3.57 120.51 127.94 2k3f n ALA 21 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k3f n ALA 21 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.15 -0.06 0.00 -0.02 -1.26 0.17 135.00 133.69 2k3f n PRO 22 Ca 0.00 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.27 2k3f n PRO 22 Cb 0.00 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 2k3f n PRO 22 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k3f h PRO 23 N 0.00 0.00 0.00 0.52 0.11 -1.99 -3.43 132.00 127.21 2k3f h PRO 23 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2k3f h PRO 23 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2k3f h PRO 23 CO -0.54 0.27 -0.00 0.28 -0.21 0.00 0.00 178.00 177.80 2k3f h VAL 24 N -1.00 1.43 0.00 3.15 2.07 -0.74 -3.27 116.25 117.89 2k3f h VAL 24 Ca -0.01 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.44 2k3f h VAL 24 Cb 0.34 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2k3f h VAL 24 CO -0.01 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.67 2k3f n GLY 25 N 1.62 -3.01 0.31 2.17 0.00 0.45 -0.74 105.19 106.01 2k3f n GLY 25 Ca -0.08 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.40 2k3f n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3f h PRO 26 N 0.00 0.20 0.00 1.61 0.11 -1.79 0.88 132.00 133.02 2k3f h PRO 26 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k3f h PRO 26 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2k3f h PRO 26 CO 0.00 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 2k3f n ALA 27 N -2.66 -0.07 -0.03 -0.75 0.00 -0.99 -2.45 120.51 113.55 2k3f n ALA 27 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 2k3f n ALA 27 Cb 0.74 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 20.26 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 0.15 -1.29 0.00 3.38 -0.69 -3.32 115.31 113.55 2k3f h LEU 28 Ca 0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.53 2k3f h LEU 28 Cb 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2k3f h LEU 28 CO 0.00 0.60 0.50 1.23 0.09 0.00 0.00 178.44 180.86 2k3f h GLY 29 N -0.29 1.07 2.00 0.83 0.00 0.68 0.20 103.07 107.55 2k3f h GLY 29 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2k3f h GLY 29 CO 0.01 0.31 -0.09 -1.61 0.00 0.00 0.00 176.54 175.16 2k3f h GLN 30 N 0.92 0.00 -0.62 4.80 4.15 -1.56 0.13 115.11 122.92 2k3f h GLN 30 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2k3f h GLN 30 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2k3f h GLN 30 CO -0.09 0.09 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 2k3f n HIS 31 N -3.69 1.68 -0.79 3.99 8.25 0.59 -4.91 115.22 120.34 2k3f n HIS 31 Ca -0.02 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 2k3f n HIS 31 Cb 0.20 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 0.95 0.80 3.80 -1.41 0.00 0.44 -4.95 105.19 104.82 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 -3.05 4.31 -0.56 1.61 1.01 -0.64 -4.93 120.40 118.15 2k3f s VAL 33 Ca 0.00 1.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 2k3f s VAL 33 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2k3f s VAL 33 CO 0.00 -0.02 1.54 0.21 0.00 0.00 0.00 175.10 176.83 2k3f s ASN 34 N -1.83 5.92 0.33 3.32 2.47 -1.26 -3.91 114.94 119.98 2k3f s ASN 34 Ca 0.54 0.36 0.07 0.00 0.42 0.00 0.00 52.86 54.24 2k3f s ASN 34 Cb -0.15 -2.54 0.74 0.00 -1.45 0.00 0.00 41.25 37.85 2k3f s ASN 34 CO 0.20 -1.86 1.85 0.40 -3.72 0.00 0.00 177.10 173.97 2k3f h ILE 35 N 6.51 0.84 0.63 -5.21 1.08 -1.93 -1.27 117.51 118.17 2k3f h ILE 35 Ca -0.27 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 2k3f h ILE 35 Cb 1.11 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2k3f h ILE 35 CO 1.18 0.14 -0.30 0.24 -0.69 0.00 0.00 178.15 178.71 2k3f h MET 36 N 0.78 -0.82 -0.69 2.37 2.86 -1.89 0.47 114.93 118.01 2k3f h MET 36 Ca 0.47 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.26 2k3f h MET 36 Cb 0.68 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 2k3f h MET 36 CO -0.24 -0.52 0.46 0.93 1.06 0.00 0.00 176.91 178.60 2k3f h GLU 37 N -0.94 0.58 0.96 1.72 4.39 -1.88 0.46 114.58 119.88 2k3f h GLU 37 Ca -0.09 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 2k3f h GLU 37 Cb 0.68 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2k3f h GLU 37 CO 0.14 0.39 -0.46 0.35 -1.16 0.00 0.00 179.01 178.27 2k3f h PHE 38 N 0.60 -1.20 -0.29 4.33 3.57 -0.86 -2.17 116.94 120.93 2k3f h PHE 38 Ca 0.31 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 2k3f h PHE 38 Cb 0.43 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2k3f h PHE 38 CO -0.00 -0.74 0.17 0.00 -2.23 0.00 0.00 178.31 175.51 2k3f h LYS 40 N 0.36 0.00 0.15 0.00 1.57 -0.21 0.14 116.57 118.59 2k3f h LYS 40 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2k3f h LYS 40 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2k3f h LYS 40 CO -0.02 0.07 -0.07 0.00 -0.57 0.00 0.00 179.45 178.86 2k3f h ARG 41 N 0.00 -0.20 -0.39 3.15 3.08 -0.45 -3.14 114.38 116.44 2k3f h ARG 41 Ca -0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2k3f h ARG 41 Cb 0.25 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2k3f h ARG 41 CO 0.01 -0.13 0.03 0.35 -1.07 0.00 0.00 179.97 179.16 2k3f h PHE 42 N -0.55 0.03 0.09 3.04 3.57 0.54 0.21 116.94 123.88 2k3f h PHE 42 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k3f h PHE 42 Cb 0.16 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2k3f h PHE 42 CO 0.04 -0.04 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.12 2k3f h ASN 43 N 0.14 -0.10 -0.83 0.41 -0.26 -0.93 0.42 115.58 114.43 2k3f h ASN 43 Ca 0.19 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 2k3f h ASN 43 Cb 0.25 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.50 2k3f h ASN 43 CO -0.29 -0.01 0.49 0.00 -1.06 0.00 0.00 177.43 176.56 2k3f h ALA 44 N 0.74 1.29 -0.40 -0.83 0.00 -1.26 0.05 119.26 118.85 2k3f h ALA 44 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2k3f h ALA 44 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k3f h ALA 44 CO 0.02 0.60 -0.10 0.93 0.00 0.00 0.00 179.25 180.70 2k3f h GLU 45 N 1.16 0.78 -0.01 0.00 5.08 -0.09 -3.23 114.58 118.26 2k3f h GLU 45 Ca 0.30 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3f h GLU 45 Cb -0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k3f h GLU 45 CO -0.05 0.91 -0.10 0.25 -1.00 0.00 0.00 179.01 179.01 2k3f n THR 46 N -4.33 0.00 -0.37 1.13 -2.24 0.14 -4.33 114.28 104.28 2k3f n THR 46 Ca -0.01 -0.19 0.29 0.00 -2.27 0.00 0.00 64.05 61.87 2k3f n THR 46 Cb 0.37 0.41 0.56 0.00 -2.10 0.00 0.00 70.33 69.56 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 4.05 2.34 0.00 6.98 0.00 -1.01 0.22 119.26 131.84 2k3f h ALA 47 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2k3f h ALA 47 Cb 0.49 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k3f h ALA 47 CO 0.00 -0.92 -0.18 -0.44 0.00 0.00 0.00 179.25 177.71 2k3f h ASP 48 N 0.23 0.00 -0.69 0.00 3.32 -1.85 -2.97 116.42 114.45 2k3f h ASP 48 Ca 0.74 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.62 2k3f h ASP 48 Cb 2.01 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.46 2k3f h ASP 48 CO -0.46 0.11 0.21 0.29 -1.72 0.00 0.00 179.24 177.66 2k3f n LYS 49 N -3.09 3.87 0.00 3.56 5.02 0.74 -4.98 118.16 123.28 2k3f n LYS 49 Ca 0.03 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 2k3f n LYS 49 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.06 0.00 -3.36 7.82 0.00 -1.12 -3.64 120.51 120.14 2k3f n ALA 50 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.56 2k3f n ALA 50 Cb 1.34 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.70 2k3f n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3f n GLY 51 N 0.00 2.57 2.77 0.00 0.00 -1.23 -3.33 105.19 105.96 2k3f n GLY 51 Ca 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 0.16 -0.98 1.61 1.00 -1.23 -4.73 119.30 114.63 2k3f s MET 52 Ca 0.33 0.18 -0.25 0.00 0.00 0.00 0.00 55.69 55.95 2k3f s MET 52 Cb 0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 34.83 34.29 2k3f s MET 52 CO -0.16 -0.21 2.12 0.42 0.00 0.00 0.00 175.02 177.19 2k3f s ILE 53 N 1.42 3.24 0.04 2.53 -1.09 -1.26 0.66 121.20 126.74 2k3f s ILE 53 Ca -0.04 -0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 2k3f s ILE 53 Cb -0.13 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2k3f s ILE 53 CO -0.03 -0.47 0.93 -0.76 -1.23 0.00 0.00 174.94 173.39 2k3f s LEU 54 N 13.42 4.43 -0.81 2.97 1.43 0.25 -4.69 118.68 135.69 2k3f s LEU 54 Ca 0.79 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 55.30 2k3f s LEU 54 Cb -0.07 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2k3f s LEU 54 CO 0.09 -0.15 1.83 -2.84 0.23 0.00 0.00 176.35 175.52 2k3f s PRO 55 N 0.49 2.71 0.28 1.29 0.02 -1.26 -1.23 135.00 137.30 2k3f s PRO 55 Ca 0.48 -0.07 -0.04 0.00 0.02 0.00 0.00 61.00 61.39 2k3f s PRO 55 Cb -0.22 -4.81 -0.05 0.00 0.02 0.00 0.00 34.50 29.44 2k3f s PRO 55 CO 0.28 -2.98 0.54 0.54 -0.33 0.00 0.00 177.00 175.04 2k3f s VAL 56 N 9.02 5.04 -0.12 3.83 0.11 -1.08 -0.42 120.40 136.78 2k3f s VAL 56 Ca 0.65 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.69 2k3f s VAL 56 Cb -0.08 -3.73 0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2k3f s VAL 56 CO 0.06 -0.31 0.01 -0.69 -3.33 0.00 0.00 175.10 170.84 2k3f s VAL 57 N -2.06 0.48 -0.09 2.04 1.01 0.12 -2.14 120.40 119.76 2k3f s VAL 57 Ca 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k3f s VAL 57 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2k3f s VAL 57 CO 0.30 0.09 0.03 -0.63 0.00 0.00 0.00 175.10 174.89 2k3f s ILE 58 N 1.91 4.54 -0.40 2.22 1.01 -0.63 -0.30 121.20 129.54 2k3f s ILE 58 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2k3f s ILE 58 Cb -0.14 -2.93 0.11 0.00 0.01 0.00 0.00 42.46 39.52 2k3f s ILE 58 CO -0.07 0.60 0.15 -0.89 0.00 0.00 0.00 174.94 174.73 2k3f s THR 59 N -0.92 1.88 0.10 2.92 2.01 0.35 0.24 115.64 122.20 2k3f s THR 59 Ca 0.14 -2.44 -0.24 0.00 0.31 0.00 0.00 61.69 59.46 2k3f s THR 59 Cb -0.11 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 2k3f s THR 59 CO 0.03 -0.73 0.74 0.54 -0.69 0.00 0.00 174.62 174.51 2k3f s VAL 60 N 0.64 4.59 0.52 3.82 0.11 -0.40 -2.25 120.40 127.42 2k3f s VAL 60 Ca 0.14 1.59 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2k3f s VAL 60 Cb -0.22 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 30.58 2k3f s VAL 60 CO -0.08 0.46 0.72 -0.31 -3.33 0.00 0.00 175.10 172.56 2k3f s TYR 61 N -0.65 2.70 0.61 1.54 2.02 -0.15 0.82 117.35 124.23 2k3f s TYR 61 Ca 0.36 -0.20 0.41 0.00 -0.37 0.00 0.00 57.07 57.27 2k3f s TYR 61 Cb -0.21 -2.61 2.24 0.00 -0.40 0.00 0.00 41.96 40.98 2k3f s TYR 61 CO 0.23 -0.78 2.32 0.93 -1.57 0.00 0.00 175.55 176.69 2k3f h GLU 62 N 0.24 0.00 0.00 -0.62 5.08 0.14 -0.04 114.58 119.37 2k3f h GLU 62 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 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 0.48 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.72 2k3f h ASP 63 N 0.00 0.00 0.00 1.42 1.82 -1.85 -3.46 116.42 114.36 2k3f h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k3f h ASP 63 Cb 0.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.06 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 -2.35 0.00 -1.00 0.28 5.02 -0.03 -4.96 118.16 115.12 2k3f n LYS 64 Ca 0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2k3f n LYS 64 Cb 0.32 -1.96 0.17 0.00 -0.02 0.00 0.00 35.03 33.54 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k3f n SER 65 N 0.00 -1.06 -2.69 4.39 3.41 -1.25 -4.54 113.62 111.88 2k3f n SER 65 Ca 0.00 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.47 2k3f n SER 65 Cb 0.00 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.23 2k3f n SER 65 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k3f n PHE 66 N -3.86 -0.96 -3.85 7.33 -1.74 -1.26 -0.98 117.46 112.13 2k3f n PHE 66 Ca 0.11 -0.81 -0.08 0.00 -0.56 0.00 0.00 57.45 56.11 2k3f n PHE 66 Cb 0.42 0.39 -0.01 0.00 1.52 0.00 0.00 39.48 41.81 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 -2.18 0.00 0.09 1.97 -4.23 -0.96 -4.93 115.64 105.41 2k3f s THR 67 Ca 0.17 -1.03 -0.26 0.00 -1.18 0.00 0.00 61.69 59.40 2k3f s THR 67 Cb -0.02 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.59 2k3f s THR 67 CO 0.03 0.00 0.81 0.72 -0.54 0.00 0.00 174.62 175.64 2k3f s PHE 68 N -3.38 -0.34 0.27 3.99 -0.71 -1.26 -0.50 117.98 116.04 2k3f s PHE 68 Ca 0.13 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.18 2k3f s PHE 68 Cb -0.05 0.58 -0.06 0.00 -1.21 0.00 0.00 43.02 42.28 2k3f s PHE 68 CO 0.09 -0.74 0.03 0.96 -1.34 0.00 0.00 175.22 174.22 2k3f s ILE 69 N -3.39 1.01 -0.05 -4.49 -4.36 0.58 -4.94 121.20 105.55 2k3f s ILE 69 Ca 0.06 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2k3f s ILE 69 Cb -0.02 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.18 2k3f s ILE 69 CO -0.07 -0.16 0.02 -0.63 0.24 0.00 0.00 174.94 174.34 2k3f s ILE 70 N -3.44 0.20 -1.34 8.37 1.01 -1.26 0.11 121.20 124.84 2k3f s ILE 70 Ca 0.33 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 2k3f s ILE 70 Cb 0.07 -0.37 0.10 0.00 0.01 0.00 0.00 42.46 42.27 2k3f s ILE 70 CO 0.12 0.21 1.94 0.29 0.00 0.00 0.00 174.94 177.51 2k3f n LYS 71 N 4.99 3.23 -0.82 2.79 4.76 0.43 -4.91 118.16 128.63 2k3f n LYS 71 Ca -0.10 -3.17 -0.22 0.00 -2.87 0.00 0.00 58.31 51.96 2k3f n LYS 71 Cb 0.50 -3.16 -0.09 0.00 -1.84 0.00 0.00 35.03 30.44 2k3f n LYS 71 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2k3f n THR 72 N 4.60 0.00 -1.54 -0.18 5.66 -1.26 -4.48 114.28 117.08 2k3f n THR 72 Ca 0.45 -0.03 -0.46 0.00 -3.05 0.00 0.00 64.05 60.97 2k3f n THR 72 Cb 0.39 -0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 68.90 2k3f n THR 72 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k3f n PRO 73 N 4.52 0.96 0.00 1.09 -0.04 -1.26 -4.81 135.00 135.46 2k3f n PRO 73 Ca 0.36 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 2k3f n PRO 73 Cb 0.02 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2k3f n PRO 74 N 0.92 0.00 0.00 0.54 -0.02 -1.26 -4.45 135.00 130.72 2k3f n PRO 74 Ca 0.12 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2k3f n PRO 74 Cb 0.29 -0.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.73 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N -0.60 1.57 -0.32 3.55 0.00 -1.26 -4.81 120.51 118.63 2k3f n ALA 75 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2k3f n ALA 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2k3f n ALA 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k3f h SER 76 N 0.00 -1.60 0.16 0.00 4.64 -1.94 0.44 113.55 115.26 2k3f h SER 76 Ca 0.00 0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2k3f h SER 76 Cb 0.00 0.77 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2k3f h SER 76 CO 0.00 -0.29 -0.21 0.15 -0.87 0.00 0.00 176.83 175.61 2k3f h PHE 77 N -0.08 -0.60 0.00 4.77 3.57 -1.92 -2.00 116.94 120.68 2k3f h PHE 77 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2k3f h PHE 77 Cb 0.54 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2k3f h PHE 77 CO -0.84 -0.27 0.00 1.28 -2.23 0.00 0.00 178.31 176.25 2k3f n LEU 78 N -3.63 0.43 0.17 0.59 7.99 -0.95 -0.64 117.00 120.96 2k3f n LEU 78 Ca -0.05 0.56 0.02 0.00 -0.01 0.00 0.00 56.01 56.53 2k3f n LEU 78 Cb 0.18 -0.44 0.35 0.00 -0.11 0.00 0.00 43.42 43.40 2k3f n LEU 78 CO 0.10 -0.20 0.74 -0.07 -1.51 0.00 0.00 177.39 176.44 2k3f h LEU 79 N 0.00 0.06 -2.06 2.23 3.38 0.03 -0.76 115.31 118.19 2k3f h LEU 79 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2k3f h LEU 79 Cb 0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2k3f h LEU 79 CO 0.00 0.40 -0.08 0.11 0.09 0.00 0.00 178.44 178.96 2k3f h LYS 80 N 0.05 0.00 -0.16 1.13 1.57 -0.11 0.49 116.57 119.55 2k3f h LYS 80 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k3f h LYS 80 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2k3f h LYS 80 CO 0.05 0.08 0.06 0.87 -0.57 0.00 0.00 179.45 179.93 2k3f h LYS 81 N 0.00 0.24 -0.42 3.15 1.79 -1.07 -3.26 116.57 117.00 2k3f h LYS 81 Ca -0.00 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 2k3f h LYS 81 Cb 0.28 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2k3f h LYS 81 CO 0.01 0.33 -0.23 0.00 -1.08 0.00 0.00 179.45 178.48 2k3f h ALA 82 N 0.89 0.59 -2.27 3.86 0.00 -1.31 -3.45 119.26 117.58 2k3f h ALA 82 Ca 0.05 -0.39 -0.49 0.00 0.00 0.00 0.00 54.91 54.08 2k3f h ALA 82 Cb 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k3f h ALA 82 CO -0.00 0.58 0.39 0.00 0.00 0.00 0.00 179.25 180.22 2k3f s ALA 83 N -4.60 3.07 -1.62 0.00 0.00 0.17 -4.82 121.76 113.96 2k3f s ALA 83 Ca -0.12 0.07 0.16 0.00 0.00 0.00 0.00 51.96 52.07 2k3f s ALA 83 Cb 0.11 -3.11 0.53 0.00 0.00 0.00 0.00 23.12 20.65 2k3f s ALA 83 CO 0.86 -0.45 1.42 0.41 0.00 0.00 0.00 175.76 178.00 2k3f n GLY 84 N -2.06 1.87 1.43 0.00 0.00 -1.26 -4.71 105.19 100.46 2k3f n GLY 84 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.98 0.76 1.13 -0.61 -5.35 -1.26 -4.42 119.36 110.59 2k3f n ILE 85 Ca 0.19 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2k3f n ILE 85 Cb 0.59 -1.03 0.01 0.00 -1.74 0.00 0.00 39.64 37.48 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 1.33 0.57 0.00 6.28 2.13 -1.26 -3.73 120.64 125.96 2k3f n GLU 86 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k3f n GLU 86 Cb 0.24 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2k3f n GLU 86 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k3f n LYS 87 N -0.51 0.00 0.00 5.31 2.85 -1.26 -5.17 118.16 119.38 2k3f n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k3f n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -0.29 3.92 3.47 2.58 0.00 -1.24 -5.16 105.19 108.47 2k3f n GLY 88 Ca 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 2k3f n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3f s SER 89 N 0.00 -0.47 0.00 1.61 0.01 -1.26 -4.92 113.70 108.66 2k3f s SER 89 Ca 0.00 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2k3f s SER 89 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2k3f s SER 89 CO 0.00 -0.75 0.43 -1.54 0.41 0.00 0.00 173.24 171.79 2k3f n SER 90 N -0.16 0.00 -0.06 2.44 3.41 -1.26 -4.63 113.62 113.36 2k3f n SER 90 Ca -0.13 -1.04 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 2k3f n SER 90 Cb 0.63 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2k3f n SER 90 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k3f h GLU 91 N 0.00 0.32 -0.49 4.33 4.39 -1.92 -2.76 114.58 118.45 2k3f h GLU 91 Ca 0.00 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 59.75 2k3f h GLU 91 Cb 1.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2k3f h GLU 91 CO 0.00 0.50 0.38 -1.35 -1.16 0.00 0.00 179.01 177.38 2k3f h PRO 92 N 0.10 0.00 -5.31 2.33 0.11 -1.93 -3.47 132.00 123.82 2k3f h PRO 92 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2k3f h PRO 92 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2k3f h PRO 92 CO 0.01 0.00 -0.18 1.63 -0.21 0.00 0.00 178.00 179.24 2k3f n LYS 93 N -4.20 -1.70 -0.47 1.05 5.02 -1.04 -4.97 118.16 111.85 2k3f n LYS 93 Ca 0.09 1.72 -0.01 0.00 -2.02 0.00 0.00 58.31 58.09 2k3f n LYS 93 Cb 0.59 -5.70 -0.01 0.00 -0.02 0.00 0.00 35.03 29.89 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 -1.22 0.00 0.00 1.97 3.00 -1.26 -4.95 116.66 114.20 2k3f n ARG 94 Ca 0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2k3f n ARG 94 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k3f n LYS 95 N 0.00 0.00 -2.07 -0.14 4.01 -1.26 -4.98 118.16 113.72 2k3f n LYS 95 Ca -0.04 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.48 2k3f n LYS 95 Cb 0.42 -1.85 0.13 0.00 -0.51 0.00 0.00 35.03 33.22 2k3f n LYS 95 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2k3f s ILE 96 N -1.07 2.08 0.18 -0.18 -4.36 -1.26 -4.75 121.20 111.83 2k3f s ILE 96 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.26 2k3f s ILE 96 Cb 0.00 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.77 2k3f s ILE 96 CO 0.00 0.00 0.00 0.55 0.24 0.00 0.00 174.94 175.73 2k3f n VAL 97 N -3.36 0.00 -4.25 8.37 3.14 -0.02 -4.52 118.33 117.69 2k3f n VAL 97 Ca 0.12 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.27 2k3f n VAL 97 Cb 0.60 -0.23 -0.07 0.00 -1.06 0.00 0.00 33.84 33.08 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 -3.37 1.82 0.06 7.55 0.00 -1.25 -4.72 107.32 107.42 2k3f s GLY 98 Ca 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.80 2k3f s GLY 98 CO 0.00 -1.77 0.35 -1.59 0.00 0.00 0.00 173.10 170.09 2k3f s LYS 99 N -3.73 0.90 0.00 2.90 -2.85 -1.26 -2.53 119.74 113.17 2k3f s LYS 99 Ca 0.34 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2k3f s LYS 99 Cb -0.04 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2k3f s LYS 99 CO 0.20 -0.31 0.00 1.33 0.10 0.00 0.00 175.35 176.68 2k3f n VAL 100 N 0.35 0.00 -3.58 1.79 0.24 0.19 -4.71 118.33 112.61 2k3f n VAL 100 Ca -0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 2k3f n VAL 100 Cb 0.61 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 2k3f n VAL 100 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k3f s THR 101 N -0.43 0.00 0.34 3.34 -1.32 -1.26 0.10 115.64 116.41 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 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 2k3f s THR 101 CO 0.00 0.00 1.64 0.03 -2.21 0.00 0.00 174.62 174.08 2k3f h ARG 102 N 3.28 0.24 -0.18 7.08 2.47 -1.84 0.65 114.38 126.08 2k3f h ARG 102 Ca -0.24 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.51 2k3f h ARG 102 Cb 1.16 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 2k3f h ARG 102 CO 0.26 0.16 -0.08 -0.22 0.56 0.00 0.00 179.97 180.65 2k3f h LYS 103 N 0.25 -0.06 -0.44 0.04 3.11 -1.96 0.89 116.57 118.40 2k3f h LYS 103 Ca 0.72 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.55 2k3f h LYS 103 Cb 1.66 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.88 2k3f h LYS 103 CO -0.65 -0.04 0.21 1.96 -2.81 0.00 0.00 179.45 178.12 2k3f h GLN 104 N -0.06 0.63 -0.92 1.90 1.08 -1.31 -0.11 115.11 116.31 2k3f h GLN 104 Ca 0.10 -0.09 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 2k3f h GLN 104 Cb 0.21 -0.11 -0.15 0.00 -0.05 0.00 0.00 27.48 27.37 2k3f h GLN 104 CO -0.22 0.53 -0.40 0.82 -0.95 0.00 0.00 178.83 178.62 2k3f h ILE 105 N 0.57 0.03 -0.35 2.54 1.08 -0.94 -1.53 117.51 118.90 2k3f h ILE 105 Ca 0.15 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 2k3f h ILE 105 Cb 0.11 0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 33.80 2k3f h ILE 105 CO -0.02 0.00 -0.26 -0.08 -0.69 0.00 0.00 178.15 177.10 2k3f h GLU 106 N -0.03 -0.20 -0.08 2.37 4.81 0.97 0.53 114.58 122.94 2k3f h GLU 106 Ca 0.31 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 2k3f h GLU 106 Cb 0.58 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2k3f h GLU 106 CO -0.93 -0.14 -0.34 0.93 -0.73 0.00 0.00 179.01 177.80 2k3f h GLU 107 N -0.21 -0.43 -0.10 1.92 4.39 -0.52 0.62 114.58 120.25 2k3f h GLU 107 Ca 0.17 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2k3f h GLU 107 Cb 0.48 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 2k3f h GLU 107 CO -0.48 -0.29 -0.48 0.82 -1.16 0.00 0.00 179.01 177.43 2k3f h ILE 108 N -0.45 0.07 -0.95 3.13 1.08 -0.87 -1.89 117.51 117.63 2k3f h ILE 108 Ca 0.08 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.79 2k3f h ILE 108 Cb 0.57 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 2k3f h ILE 108 CO -0.33 0.00 0.64 0.00 -0.69 0.00 0.00 178.15 177.77 2k3f h ALA 109 N -0.11 2.45 0.46 1.87 0.00 0.14 0.33 119.26 124.40 2k3f h ALA 109 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2k3f h ALA 109 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k3f h ALA 109 CO -0.40 -0.76 -0.22 0.87 0.00 0.00 0.00 179.25 178.74 2k3f h LYS 110 N 0.26 -0.60 -0.87 0.00 1.57 0.95 0.45 116.57 118.34 2k3f h LYS 110 Ca 0.49 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.48 2k3f h LYS 110 Cb 1.47 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.85 2k3f h LYS 110 CO -0.14 -0.29 0.57 1.15 -0.57 0.00 0.00 179.45 180.16 2k3f h THR 111 N -0.99 0.78 -0.01 -0.16 2.02 -0.64 -2.45 112.91 111.46 2k3f h THR 111 Ca -0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2k3f h THR 111 Cb 0.58 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2k3f h THR 111 CO 0.10 0.10 -0.65 0.29 0.37 0.00 0.00 175.52 175.74 2k3f n LYS 112 N -4.54 0.44 -0.34 6.66 4.76 0.11 -4.38 118.16 120.87 2k3f n LYS 112 Ca 0.18 -0.34 0.08 0.00 -2.87 0.00 0.00 58.31 55.35 2k3f n LYS 112 Cb 0.55 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 32.41 2k3f n LYS 112 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2k3f n MET 113 N -0.98 -0.08 0.23 1.97 0.00 0.16 -0.12 117.12 118.29 2k3f n MET 113 Ca 0.07 1.48 0.11 0.00 -0.00 0.00 0.00 57.70 59.36 2k3f n MET 113 Cb 0.37 -2.24 0.52 0.00 0.00 0.00 0.00 33.22 31.86 2k3f n MET 113 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2k3f h PRO 114 N 0.00 0.00 0.00 2.12 0.13 -1.79 -2.60 132.00 129.86 2k3f h PRO 114 Ca 0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.49 2k3f h PRO 114 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2k3f h PRO 114 CO -0.97 0.18 -0.84 0.22 -0.23 0.00 0.00 178.00 176.37 2k3f h ASP 115 N 0.00 0.00 0.00 1.44 3.58 -0.99 -3.39 116.42 117.06 2k3f h ASP 115 Ca -0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2k3f h ASP 115 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2k3f h ASP 115 CO 0.02 1.17 0.00 0.18 -2.88 0.00 0.00 179.24 177.74 2k3f n LEU 116 N -4.52 1.01 -2.70 2.28 4.32 0.83 -4.70 117.00 113.51 2k3f n LEU 116 Ca -0.21 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.31 2k3f n LEU 116 Cb 0.50 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2k3f n LEU 116 CO 0.17 0.18 0.00 0.59 -1.22 0.00 0.00 177.39 177.11 2k3f n ASN 117 N 1.30 0.00 0.00 -1.43 3.02 -1.26 -4.81 115.26 112.08 2k3f n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k3f n ASN 117 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3f n ALA 118 N -0.98 -0.03 0.00 5.41 0.00 -0.98 -4.93 120.51 119.00 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 -0.63 0.00 -3.81 0.00 4.05 -1.26 -4.83 115.26 108.78 2k3f n ASN 119 Ca 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.91 2k3f n ASN 119 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 2k3f n ASN 119 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2k3f s SER 120 N 0.00 -0.15 0.22 1.20 0.15 -1.26 -5.07 113.70 108.79 2k3f s SER 120 Ca 0.00 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 2k3f s SER 120 Cb 0.00 0.36 0.35 0.00 -1.71 0.00 0.00 66.02 65.02 2k3f s SER 120 CO 0.00 -0.25 1.71 0.25 1.20 0.00 0.00 173.24 176.15 2k3f h LEU 121 N 4.88 0.09 -1.27 3.45 7.12 -1.93 -0.91 115.31 126.74 2k3f h LEU 121 Ca -0.28 0.11 0.23 0.00 0.13 0.00 0.00 57.88 58.07 2k3f h LEU 121 Cb 1.19 0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 41.36 2k3f h LEU 121 CO 0.38 0.04 0.63 -0.33 -0.13 0.00 0.00 178.44 179.03 2k3f h GLU 122 N 0.32 0.50 -0.12 1.25 3.07 -1.97 0.41 114.58 118.04 2k3f h GLU 122 Ca 0.35 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 2k3f h GLU 122 Cb 0.52 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2k3f h GLU 122 CO -0.40 0.33 -0.10 0.00 -1.40 0.00 0.00 179.01 177.44 2k3f h ALA 123 N 1.63 0.18 -0.61 3.43 0.00 -1.52 -2.85 119.26 119.51 2k3f h ALA 123 Ca 0.57 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2k3f h ALA 123 Cb 1.24 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2k3f h ALA 123 CO -0.31 0.01 0.40 0.00 0.00 0.00 0.00 179.25 179.36 2k3f h ALA 124 N 0.61 1.81 -0.95 0.00 0.00 -0.61 -1.51 119.26 118.60 2k3f h ALA 124 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2k3f h ALA 124 Cb 0.61 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2k3f h ALA 124 CO 0.03 0.09 0.57 0.52 0.00 0.00 0.00 179.25 180.46 2k3f h MET 125 N 0.59 0.84 0.17 0.00 2.86 -0.06 -1.97 114.93 117.36 2k3f h MET 125 Ca 0.26 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2k3f h MET 125 Cb 0.28 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2k3f h MET 125 CO -0.08 0.56 -0.08 0.87 1.06 0.00 0.00 176.91 179.24 2k3f h LYS 126 N 0.87 -0.22 0.13 1.72 1.79 -1.18 0.18 116.57 119.87 2k3f h LYS 126 Ca 0.49 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 59.00 2k3f h LYS 126 Cb 0.57 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 2k3f h LYS 126 CO -0.30 -0.06 -0.38 0.97 -1.08 0.00 0.00 179.45 178.61 2k3f h ILE 127 N -0.33 0.22 -0.38 1.86 -0.00 -1.40 -1.66 117.51 115.82 2k3f h ILE 127 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 64.86 64.92 2k3f h ILE 127 Cb 0.26 0.22 -0.08 0.00 -0.00 0.00 0.00 36.82 37.22 2k3f h ILE 127 CO 0.04 0.00 -0.18 0.40 -0.00 0.00 0.00 178.15 178.41 2k3f h ILE 128 N -0.62 0.46 -0.84 2.19 1.08 -1.27 0.38 117.51 118.89 2k3f h ILE 128 Ca 0.02 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.64 2k3f h ILE 128 Cb 0.64 0.46 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 2k3f h ILE 128 CO -0.21 0.00 0.42 -0.33 -0.69 0.00 0.00 178.15 177.34 2k3f h GLU 129 N -0.11 0.58 -0.01 2.37 5.08 -0.78 0.28 114.58 121.99 2k3f h GLU 129 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k3f h GLU 129 Cb 0.40 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k3f h GLU 129 CO -0.45 0.38 -0.01 0.78 -1.00 0.00 0.00 179.01 178.71 2k3f h GLY 130 N 0.60 0.04 -0.06 -3.84 0.00 0.32 0.26 103.07 100.38 2k3f h GLY 130 Ca 0.46 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.78 2k3f h GLY 130 CO -0.37 0.03 -0.52 -0.84 0.00 0.00 0.00 176.54 174.84 2k3f h THR 131 N -0.45 0.00 -0.54 4.70 2.02 -0.09 0.37 112.91 118.93 2k3f h THR 131 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2k3f h THR 131 Cb 0.51 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 2k3f h THR 131 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 2k3f h ALA 132 N -0.42 0.35 -0.45 6.16 0.00 -0.40 0.18 119.26 124.69 2k3f h ALA 132 Ca 0.02 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2k3f h ALA 132 Cb 0.67 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 2k3f h ALA 132 CO -0.38 -0.44 -0.53 -0.22 0.00 0.00 0.00 179.25 177.68 2k3f h LYS 133 N -0.00 -0.35 0.00 0.00 3.64 0.01 0.31 116.57 120.18 2k3f h LYS 133 Ca 0.26 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2k3f h LYS 133 Cb 0.40 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2k3f h LYS 133 CO -0.56 -0.23 -0.20 1.03 -2.27 0.00 0.00 179.45 177.22 2k3f h SER 134 N -0.36 0.00 0.60 4.20 0.87 -0.07 -2.40 113.55 116.38 2k3f h SER 134 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2k3f h SER 134 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2k3f h SER 134 CO -0.62 0.20 -0.01 0.23 -0.53 0.00 0.00 176.83 176.10 2k3f n MET 135 N -4.02 0.40 -1.64 2.24 2.81 -0.03 -4.89 117.12 111.98 2k3f n MET 135 Ca -0.02 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 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 1.31 0.59 3.33 3.03 0.00 -0.82 -4.77 105.19 107.87 2k3f n GLY 136 Ca 0.13 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 3.26 0.35 -0.61 1.01 -0.00 -0.84 121.20 122.37 2k3f s ILE 137 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2k3f s ILE 137 Cb 0.00 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 2k3f s ILE 137 CO 0.00 0.46 0.78 -0.70 0.00 0.00 0.00 174.94 175.48 2k3f s GLU 138 N 1.04 4.01 -0.11 2.79 2.12 -1.05 -3.80 118.70 123.70 2k3f s GLU 138 Ca 0.00 0.72 0.01 0.00 0.36 0.00 0.00 54.97 56.06 2k3f s GLU 138 Cb -0.15 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 2k3f s GLU 138 CO -0.01 0.10 -0.16 0.14 -0.54 0.00 0.00 175.26 174.79 2k3f s VAL 139 N -2.07 2.83 -0.56 3.70 -7.23 -1.25 -0.64 120.40 115.18 2k3f s VAL 139 Ca 0.55 -0.75 0.06 0.00 -1.81 0.00 0.00 61.98 60.03 2k3f s VAL 139 Cb -0.10 -2.16 0.32 0.00 0.56 0.00 0.00 36.38 35.00 2k3f s VAL 139 CO 0.19 0.54 0.85 1.33 -0.31 0.00 0.00 175.10 177.70 2k3f n VAL 140 N 3.37 2.31 -0.58 1.32 0.24 0.29 -4.82 118.33 120.45 2k3f n VAL 140 Ca -0.18 -5.29 0.00 0.00 -2.04 0.00 0.00 64.34 56.82 2k3f n VAL 140 Cb 0.53 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02