#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 0.00 -3.58 3.04 0.00 -1.26 -3.83 120.51 114.89 2k3f n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k3f n ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 0.00 0.10 -0.04 0.00 1.02 -1.26 -4.96 119.74 114.59 2k3f s LYS 3 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 2k3f s LYS 3 Cb 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2k3f s LYS 3 CO 0.00 -0.66 0.12 0.15 -0.92 0.00 0.00 175.35 174.04 2k3f s LYS 4 N 2.20 3.26 0.21 1.68 1.02 -1.25 -4.96 119.74 121.89 2k3f s LYS 4 Ca 0.03 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 55.37 2k3f s LYS 4 Cb -0.16 -3.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.04 2k3f s LYS 4 CO -0.10 0.69 1.62 0.08 -0.92 0.00 0.00 175.35 176.73 2k3f s VAL 5 N -1.16 2.29 -0.16 3.17 1.01 -1.26 -0.43 120.40 123.86 2k3f s VAL 5 Ca 0.21 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.48 2k3f s VAL 5 Cb -0.12 -3.14 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 2k3f s VAL 5 CO 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 175.10 175.17 2k3f n ALA 6 N 3.45 1.63 -3.40 5.51 0.00 0.36 -4.65 120.51 123.41 2k3f n ALA 6 Ca 0.13 -0.86 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 2k3f n ALA 6 Cb 0.37 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.36 -1.25 -0.18 0.00 0.00 -0.19 -5.00 121.76 112.79 2k3f s ALA 7 Ca -0.17 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2k3f s ALA 7 Cb 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2k3f s ALA 7 CO 0.50 -0.25 0.39 -0.65 0.00 0.00 0.00 175.76 175.75 2k3f s GLN 8 N 0.07 4.22 -0.54 0.00 -0.21 -1.26 -0.66 119.66 121.28 2k3f s GLN 8 Ca -0.02 0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.63 2k3f s GLN 8 Cb -0.03 -3.50 0.15 0.00 1.00 0.00 0.00 33.01 30.63 2k3f s GLN 8 CO 0.01 0.04 0.34 0.42 -2.12 0.00 0.00 175.29 173.99 2k3f s ILE 9 N 1.04 2.02 0.11 1.08 1.01 0.20 -4.91 121.20 121.75 2k3f s ILE 9 Ca 0.20 -3.30 -0.30 0.00 0.00 0.00 0.00 60.65 57.25 2k3f s ILE 9 Cb -0.14 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 2k3f s ILE 9 CO 0.08 -0.95 1.11 -0.54 0.00 0.00 0.00 174.94 174.63 2k3f s LYS 10 N -0.41 4.54 -0.26 2.79 1.02 -1.26 -1.16 119.74 124.99 2k3f s LYS 10 Ca 0.22 1.68 -0.13 0.00 0.02 0.00 0.00 55.97 57.75 2k3f s LYS 10 Cb -0.15 -3.33 0.09 0.00 -0.52 0.00 0.00 37.83 33.92 2k3f s LYS 10 CO -0.08 -0.05 0.63 -0.48 -0.92 0.00 0.00 175.35 174.44 2k3f s LEU 11 N 0.35 -0.85 -0.19 3.17 0.05 -0.78 -4.96 118.68 115.47 2k3f s LEU 11 Ca 0.53 1.41 -0.24 0.00 0.05 0.00 0.00 54.13 55.88 2k3f s LEU 11 Cb -0.28 2.16 -0.02 0.00 -2.05 0.00 0.00 46.19 46.01 2k3f s LEU 11 CO 0.32 -0.23 0.77 -1.10 -0.55 0.00 0.00 176.35 175.56 2k3f s GLN 12 N 1.94 4.25 -0.03 1.48 -0.21 -1.26 -2.20 119.66 123.63 2k3f s GLN 12 Ca -0.09 0.88 -0.02 0.00 0.02 0.00 0.00 55.36 56.16 2k3f s GLN 12 Cb -0.07 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.36 2k3f s GLN 12 CO -0.18 -0.34 0.07 -0.51 -2.12 0.00 0.00 175.29 172.21 2k3f s LEU 13 N 2.21 1.41 -0.09 2.90 1.43 0.32 -4.87 118.68 122.00 2k3f s LEU 13 Ca 0.35 0.13 -0.37 0.00 -1.03 0.00 0.00 54.13 53.20 2k3f s LEU 13 Cb -0.16 0.16 -0.15 0.00 0.03 0.00 0.00 46.19 46.07 2k3f s LEU 13 CO 0.11 -0.07 1.62 -2.65 0.23 0.00 0.00 176.35 175.59 2k3f n PRO 14 N 3.55 1.42 -1.85 1.29 -0.02 -1.22 0.75 135.00 138.92 2k3f n PRO 14 Ca -0.19 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 2k3f n PRO 14 Cb 0.56 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.37 3.81 0.00 3.55 0.00 0.44 -0.50 121.76 131.43 2k3f s ALA 15 Ca 0.91 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.29 2k3f s ALA 15 Cb -0.93 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2k3f s ALA 15 CO 0.55 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2k3f n GLY 16 N 3.91 0.90 2.64 0.00 0.00 -1.25 -0.75 105.19 110.63 2k3f n GLY 16 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.09 0.39 -0.29 1.61 2.36 0.34 -4.98 119.74 119.09 2k3f s LYS 17 Ca 0.00 -0.63 -0.21 0.00 -2.55 0.00 0.00 55.97 52.57 2k3f s LYS 17 Cb 0.00 -0.94 0.15 0.00 -1.05 0.00 0.00 37.83 35.98 2k3f s LYS 17 CO 0.00 -1.10 1.08 0.00 1.55 0.00 0.00 175.35 176.89 2k3f s ALA 18 N 1.84 -2.16 0.00 3.13 0.00 -1.26 -3.41 121.76 119.91 2k3f s ALA 18 Ca 0.12 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2k3f s ALA 18 Cb -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2k3f s ALA 18 CO -0.21 -0.26 0.00 -2.37 0.00 0.00 0.00 175.76 172.92 2k3f n THR 19 N 2.71 0.00 -4.02 0.00 5.66 -1.26 -4.68 114.28 112.69 2k3f n THR 19 Ca -0.15 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.51 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 -0.63 3.95 0.00 1.09 0.04 -1.26 -4.64 135.00 133.55 2k3f s PRO 20 Ca 0.00 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2k3f s PRO 20 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k3f s PRO 20 CO 0.00 0.25 0.00 0.00 0.04 0.00 0.00 177.00 177.29 2k3f n ALA 21 N 3.59 0.00 0.26 8.56 0.00 -1.26 -2.59 120.51 129.07 2k3f n ALA 21 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2k3f n ALA 21 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 2k3f n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3f h PRO 22 N 0.00 -0.71 0.03 0.00 0.11 -1.96 -2.85 132.00 126.62 2k3f h PRO 22 Ca 0.00 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2k3f h PRO 22 Cb 0.00 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2k3f h PRO 22 CO 0.00 -0.48 -0.01 -1.00 -0.21 0.00 0.00 178.00 176.30 2k3f h PRO 23 N -0.74 -0.03 0.01 1.05 0.13 -1.95 -3.40 132.00 127.07 2k3f h PRO 23 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2k3f h PRO 23 Cb 0.60 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2k3f h PRO 23 CO 0.06 0.67 -0.31 0.28 -0.23 0.00 0.00 178.00 178.46 2k3f h VAL 24 N -0.91 1.60 -0.73 1.56 2.07 -1.68 -3.06 116.25 115.11 2k3f h VAL 24 Ca -0.00 -2.33 0.13 0.00 0.82 0.00 0.00 66.70 65.31 2k3f h VAL 24 Cb 0.72 3.16 -0.13 0.00 -1.52 0.00 0.00 31.29 33.52 2k3f h VAL 24 CO 0.01 0.57 -0.31 1.23 0.02 0.00 0.00 177.57 179.08 2k3f h GLY 25 N -0.93 0.12 0.87 2.17 0.00 -1.48 -1.99 103.07 101.83 2k3f h GLY 25 Ca -0.08 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 2k3f h GLY 25 CO -0.03 -0.23 -0.38 -2.55 0.00 0.00 0.00 176.54 173.35 2k3f h PRO 26 N -0.08 0.53 0.00 4.80 0.11 -1.67 -1.86 132.00 133.82 2k3f h PRO 26 Ca 0.30 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2k3f h PRO 26 Cb 0.57 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2k3f h PRO 26 CO -0.78 0.98 0.00 0.00 -0.21 0.00 0.00 178.00 177.99 2k3f n ALA 27 N -2.51 0.00 0.28 -0.75 0.00 -0.78 -2.48 120.51 114.27 2k3f n ALA 27 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.51 2k3f n ALA 27 Cb 0.53 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.31 0.00 -0.00 -1.67 -3.29 115.31 110.05 2k3f h LEU 28 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 2k3f h LEU 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2k3f h LEU 28 CO 0.00 0.00 -0.58 1.23 -0.00 0.00 0.00 178.44 179.09 2k3f h GLY 29 N 3.50 0.91 1.45 0.17 0.00 -1.38 -2.36 103.07 105.36 2k3f h GLY 29 Ca 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 47.33 46.30 2k3f h GLY 29 CO 0.00 0.98 0.22 -1.61 0.00 0.00 0.00 176.54 176.13 2k3f h GLN 30 N 0.63 0.00 -0.78 4.80 4.15 -1.20 0.24 115.11 122.95 2k3f h GLN 30 Ca 0.01 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.27 2k3f h GLN 30 Cb 1.18 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.78 2k3f h GLN 30 CO 0.13 0.00 0.20 0.72 -1.93 0.00 0.00 178.83 177.94 2k3f n HIS 31 N -3.87 2.03 -0.92 3.99 8.25 -0.97 -4.85 115.22 118.87 2k3f n HIS 31 Ca 0.02 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 2k3f n HIS 31 Cb 0.35 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 0.02 0.67 3.83 -1.41 0.00 0.85 -4.95 105.19 104.19 2k3f n GLY 32 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.57 4.59 -0.57 1.61 1.01 -0.93 -4.96 120.40 118.59 2k3f s VAL 33 Ca 0.00 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.89 2k3f s VAL 33 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2k3f s VAL 33 CO 0.00 0.02 1.82 0.54 0.00 0.00 0.00 175.10 177.49 2k3f s ASN 34 N -1.93 5.41 0.31 3.32 6.03 -1.26 -4.15 114.94 122.67 2k3f s ASN 34 Ca 0.49 0.47 0.05 0.00 -1.03 0.00 0.00 52.86 52.83 2k3f s ASN 34 Cb -0.14 -2.53 0.68 0.00 -3.03 0.00 0.00 41.25 36.23 2k3f s ASN 34 CO 0.19 -2.24 1.83 0.40 -2.03 0.00 0.00 177.10 175.25 2k3f h ILE 35 N 6.84 0.84 0.10 0.54 1.08 -1.93 0.30 117.51 125.27 2k3f h ILE 35 Ca -0.27 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2k3f h ILE 35 Cb 1.16 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2k3f h ILE 35 CO 1.19 0.16 -0.05 0.24 -0.69 0.00 0.00 178.15 179.00 2k3f h MET 36 N 0.85 -0.13 -1.00 2.37 2.86 -1.88 0.53 114.93 118.53 2k3f h MET 36 Ca 0.51 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.21 2k3f h MET 36 Cb 0.67 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.30 2k3f h MET 36 CO -0.28 0.18 0.65 1.49 1.06 0.00 0.00 176.91 180.01 2k3f h GLU 37 N -0.44 1.17 0.67 1.72 4.81 -1.85 0.52 114.58 121.19 2k3f h GLU 37 Ca -0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2k3f h GLU 37 Cb 0.36 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k3f h GLU 37 CO 0.02 0.77 -0.45 0.35 -0.73 0.00 0.00 179.01 178.97 2k3f h PHE 38 N 1.21 -1.22 -0.26 0.92 3.57 -0.73 -1.40 116.94 119.03 2k3f h PHE 38 Ca 0.42 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2k3f h PHE 38 Cb 0.10 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2k3f h PHE 38 CO -0.00 -0.67 0.17 0.00 -2.23 0.00 0.00 178.31 175.58 2k3f h LYS 40 N 0.35 0.00 0.16 0.00 3.64 -0.03 0.22 116.57 120.91 2k3f h LYS 40 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2k3f h LYS 40 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2k3f h LYS 40 CO -0.02 0.11 -0.08 0.00 -2.27 0.00 0.00 179.45 177.19 2k3f h ARG 41 N 0.00 -0.21 -0.66 1.90 3.08 0.03 -3.17 114.38 115.36 2k3f h ARG 41 Ca -0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.17 2k3f h ARG 41 Cb 0.35 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 2k3f h ARG 41 CO 0.01 -0.14 0.26 0.35 -1.07 0.00 0.00 179.97 179.38 2k3f h PHE 42 N -0.61 0.45 0.06 3.04 3.57 0.38 0.69 116.94 124.53 2k3f h PHE 42 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k3f h PHE 42 Cb 0.17 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2k3f h PHE 42 CO 0.03 0.11 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.25 2k3f h ASN 43 N 0.44 -0.16 -0.67 0.41 -0.26 -1.13 0.36 115.58 114.58 2k3f h ASN 43 Ca 0.34 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.05 2k3f h ASN 43 Cb 0.43 0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 2k3f h ASN 43 CO -0.33 -0.09 0.26 0.00 -1.06 0.00 0.00 177.43 176.21 2k3f h ALA 44 N 0.81 0.87 -0.45 -0.83 0.00 -1.18 -1.71 119.26 116.77 2k3f h ALA 44 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2k3f h ALA 44 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k3f h ALA 44 CO -0.02 0.49 -0.25 0.93 0.00 0.00 0.00 179.25 180.40 2k3f h GLU 45 N 0.95 0.96 -0.03 0.00 5.08 -0.46 -3.04 114.58 118.04 2k3f h GLU 45 Ca 0.22 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2k3f h GLU 45 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k3f h GLU 45 CO -0.02 1.10 0.00 0.25 -1.00 0.00 0.00 179.01 179.34 2k3f n THR 46 N -4.12 0.02 -0.40 1.13 -2.24 0.12 -4.32 114.28 104.47 2k3f n THR 46 Ca -0.01 -0.21 0.32 0.00 -2.27 0.00 0.00 64.05 61.89 2k3f n THR 46 Cb 0.47 0.28 0.62 0.00 -2.10 0.00 0.00 70.33 69.60 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 4.24 2.64 0.06 6.98 0.00 -1.19 -0.96 119.26 131.03 2k3f h ALA 47 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 2k3f h ALA 47 Cb 0.39 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k3f h ALA 47 CO 0.00 -1.16 -1.60 -0.44 0.00 0.00 0.00 179.25 176.04 2k3f h ASP 48 N 0.18 0.20 -0.51 0.00 3.32 -1.84 -3.28 116.42 114.49 2k3f h ASP 48 Ca 0.72 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 2k3f h ASP 48 Cb 2.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.69 2k3f h ASP 48 CO -0.32 1.29 0.03 0.29 -1.72 0.00 0.00 179.24 178.81 2k3f n LYS 49 N -3.29 4.24 -0.95 3.56 5.02 -0.46 -4.99 118.16 121.29 2k3f n LYS 49 Ca -0.17 -2.69 -0.34 0.00 -2.02 0.00 0.00 58.31 53.10 2k3f n LYS 49 Cb 1.03 -2.15 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.47 -1.67 -0.72 7.82 0.00 -0.65 -3.95 120.51 121.81 2k3f n ALA 50 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2k3f n ALA 50 Cb 1.08 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.22 0.71 2.72 0.00 0.00 0.08 -4.91 105.19 105.01 2k3f n GLY 51 Ca 0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2k3f n GLY 51 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k3f s MET 52 N -1.53 -0.05 -0.74 1.61 0.00 -1.24 -4.89 119.30 112.46 2k3f s MET 52 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 55.69 55.86 2k3f s MET 52 Cb 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 34.83 34.30 2k3f s MET 52 CO 0.00 -0.32 2.26 0.42 0.00 0.00 0.00 175.02 177.38 2k3f s ILE 53 N 2.18 3.13 -0.04 10.11 -1.09 -1.26 0.17 121.20 134.40 2k3f s ILE 53 Ca 0.04 -0.07 -0.27 0.00 -2.23 0.00 0.00 60.65 58.12 2k3f s ILE 53 Cb -0.12 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2k3f s ILE 53 CO -0.04 -0.30 0.87 -0.76 -1.23 0.00 0.00 174.94 173.48 2k3f s LEU 54 N 12.81 4.33 -0.54 2.97 1.43 0.23 -4.75 118.68 135.15 2k3f s LEU 54 Ca 0.86 1.45 -0.27 0.00 -1.03 0.00 0.00 54.13 55.14 2k3f s LEU 54 Cb -0.12 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2k3f s LEU 54 CO 0.10 -0.23 1.71 -2.84 0.23 0.00 0.00 176.35 175.33 2k3f s PRO 55 N 1.06 2.97 0.18 1.29 0.02 -1.26 -0.52 135.00 138.74 2k3f s PRO 55 Ca 0.46 0.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.17 2k3f s PRO 55 Cb -0.19 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.01 2k3f s PRO 55 CO 0.23 -2.32 0.37 0.54 -0.33 0.00 0.00 177.00 175.49 2k3f s VAL 56 N 7.72 5.22 -0.18 3.83 0.11 -0.93 -1.40 120.40 134.76 2k3f s VAL 56 Ca 0.65 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 2k3f s VAL 56 Cb -0.14 -3.72 0.05 0.00 -1.53 0.00 0.00 36.38 31.05 2k3f s VAL 56 CO 0.24 -0.13 0.01 -0.69 -3.33 0.00 0.00 175.10 171.21 2k3f s VAL 57 N -1.82 0.68 -0.09 2.04 1.01 -0.72 -1.86 120.40 119.64 2k3f s VAL 57 Ca 0.38 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2k3f s VAL 57 Cb -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2k3f s VAL 57 CO 0.28 -0.11 0.09 -0.63 0.00 0.00 0.00 175.10 174.73 2k3f s ILE 58 N 1.80 5.00 -0.41 2.22 1.01 -0.31 -0.72 121.20 129.80 2k3f s ILE 58 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2k3f s ILE 58 Cb -0.17 -3.17 0.12 0.00 0.01 0.00 0.00 42.46 39.25 2k3f s ILE 58 CO -0.07 0.58 0.17 -0.89 0.00 0.00 0.00 174.94 174.73 2k3f s THR 59 N -1.00 1.83 -0.02 2.92 2.01 0.12 0.62 115.64 122.11 2k3f s THR 59 Ca 0.15 -2.48 -0.19 0.00 0.31 0.00 0.00 61.69 59.48 2k3f s THR 59 Cb -0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2k3f s THR 59 CO 0.05 -0.75 0.56 0.54 -0.69 0.00 0.00 174.62 174.32 2k3f s VAL 60 N 0.57 4.97 0.62 3.82 0.11 0.16 -2.08 120.40 128.58 2k3f s VAL 60 Ca 0.14 1.15 -0.00 0.00 -2.93 0.00 0.00 61.98 60.34 2k3f s VAL 60 Cb -0.22 -3.89 0.07 0.00 -1.53 0.00 0.00 36.38 30.81 2k3f s VAL 60 CO -0.07 0.42 0.87 -0.31 -3.33 0.00 0.00 175.10 172.68 2k3f s TYR 61 N -0.15 2.48 0.35 1.54 2.02 -0.19 0.14 117.35 123.54 2k3f s TYR 61 Ca 0.29 -0.04 0.38 0.00 -0.37 0.00 0.00 57.07 57.34 2k3f s TYR 61 Cb -0.18 -2.88 1.92 0.00 -0.40 0.00 0.00 41.96 40.42 2k3f s TYR 61 CO 0.16 -1.20 2.16 0.93 -1.57 0.00 0.00 175.55 176.02 2k3f h GLU 62 N -0.20 0.00 0.00 -0.62 3.07 -1.01 -0.68 114.58 115.14 2k3f h GLU 62 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2k3f h GLU 62 CO 0.50 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.64 2k3f n ASP 63 N -2.96 0.07 0.00 1.42 2.03 -1.26 -4.86 116.55 110.99 2k3f n ASP 63 Ca -0.01 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2k3f n ASP 63 Cb 0.15 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3f n LYS 64 N -1.57 0.00 -0.99 -0.67 4.76 -0.26 -5.03 118.16 114.39 2k3f n LYS 64 Ca 0.06 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2k3f n LYS 64 Cb 0.31 -1.85 0.26 0.00 -1.84 0.00 0.00 35.03 31.90 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2k3f s SER 65 N -3.28 0.40 0.16 4.39 1.04 -1.26 -4.55 113.70 110.60 2k3f s SER 65 Ca 0.00 0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.85 2k3f s SER 65 Cb 0.00 -0.72 0.05 0.00 0.10 0.00 0.00 66.02 65.45 2k3f s SER 65 CO 0.00 -4.44 0.63 2.22 0.98 0.00 0.00 173.24 172.64 2k3f n PHE 66 N -4.96 -1.33 -3.76 5.02 -1.74 -1.26 -1.02 117.46 108.41 2k3f n PHE 66 Ca 0.15 -0.95 -0.09 0.00 -0.56 0.00 0.00 57.45 56.00 2k3f n PHE 66 Cb 0.60 0.47 -0.03 0.00 1.52 0.00 0.00 39.48 42.04 2k3f n PHE 66 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2k3f s THR 67 N -2.28 0.01 -0.02 1.97 -4.23 -0.88 -4.94 115.64 105.26 2k3f s THR 67 Ca 0.14 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 2k3f s THR 67 Cb -0.02 -1.73 0.09 0.00 1.34 0.00 0.00 72.50 72.18 2k3f s THR 67 CO 0.05 -0.03 0.78 0.72 -0.54 0.00 0.00 174.62 175.60 2k3f s PHE 68 N -3.89 -0.49 0.33 3.99 -0.71 -1.26 0.11 117.98 116.06 2k3f s PHE 68 Ca 0.10 0.62 0.09 0.00 -1.04 0.00 0.00 56.93 56.70 2k3f s PHE 68 Cb -0.03 0.48 -0.06 0.00 -1.21 0.00 0.00 43.02 42.21 2k3f s PHE 68 CO 0.01 -0.59 -0.03 0.96 -1.34 0.00 0.00 175.22 174.23 2k3f s ILE 69 N -2.21 2.59 -0.14 -4.49 -4.36 0.11 -4.94 121.20 107.75 2k3f s ILE 69 Ca -0.02 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.32 2k3f s ILE 69 Cb -0.01 -2.73 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 2k3f s ILE 69 CO -0.02 -0.23 -0.17 -0.63 0.24 0.00 0.00 174.94 174.13 2k3f s ILE 70 N -2.52 2.52 -0.53 8.37 -1.09 -1.26 -1.76 121.20 124.93 2k3f s ILE 70 Ca 0.34 -0.83 -0.27 0.00 -2.23 0.00 0.00 60.65 57.65 2k3f s ILE 70 Cb -0.00 -2.04 -0.00 0.00 -1.58 0.00 0.00 42.46 38.83 2k3f s ILE 70 CO 0.18 0.53 1.64 -0.54 -1.23 0.00 0.00 174.94 175.52 2k3f s LYS 71 N 0.72 3.08 0.20 2.79 -0.14 -0.49 -4.92 119.74 120.97 2k3f s LYS 71 Ca -0.08 0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 54.94 2k3f s LYS 71 Cb -0.16 -4.23 -0.17 0.00 -1.68 0.00 0.00 37.83 31.60 2k3f s LYS 71 CO 0.01 -2.19 0.65 0.25 -0.76 0.00 0.00 175.35 173.31 2k3f n THR 72 N 7.09 1.81 -0.88 2.17 -2.24 -1.26 -4.46 114.28 116.51 2k3f n THR 72 Ca 0.17 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 2k3f n THR 72 Cb 0.50 -0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 2k3f n THR 72 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2k3f n PRO 73 N 1.02 0.00 -0.33 -0.78 -0.01 -1.26 -4.74 135.00 128.90 2k3f n PRO 73 Ca 0.17 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.77 2k3f n PRO 73 Cb 0.25 -0.94 0.23 0.00 -0.01 0.00 0.00 33.50 33.02 2k3f n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2k3f n PRO 74 N 5.10 -0.08 0.00 0.52 -0.02 -1.26 -4.72 135.00 134.54 2k3f n PRO 74 Ca 0.39 1.43 0.00 0.00 -2.02 0.00 0.00 63.50 63.30 2k3f n PRO 74 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2k3f n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3f n ALA 75 N -3.34 0.00 0.19 3.55 0.00 -1.26 -4.96 120.51 114.70 2k3f n ALA 75 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.68 2k3f n ALA 75 Cb 0.65 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.54 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 0.05 0.00 0.00 4.64 -1.96 -1.33 113.55 114.95 2k3f h SER 76 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k3f h SER 76 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2k3f h SER 76 CO 0.00 0.27 0.00 0.33 -0.87 0.00 0.00 176.83 176.56 2k3f n PHE 77 N -4.26 0.00 0.33 4.77 -0.00 -1.26 0.15 117.46 117.18 2k3f n PHE 77 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.55 2k3f n PHE 77 Cb 0.29 -0.49 0.06 0.00 -0.00 0.00 0.00 39.48 39.34 2k3f n PHE 77 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2k3f n LEU 78 N -2.85 0.75 0.07 -2.13 7.94 -1.17 -2.99 117.00 116.63 2k3f n LEU 78 Ca 0.00 0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 55.11 2k3f n LEU 78 Cb 0.00 -0.11 0.19 0.00 0.53 0.00 0.00 43.42 44.04 2k3f n LEU 78 CO 0.00 -0.11 0.63 -0.07 -1.11 0.00 0.00 177.39 176.73 2k3f h LEU 79 N 0.00 0.32 -0.81 -1.96 3.38 -1.15 -1.61 115.31 113.48 2k3f h LEU 79 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k3f h LEU 79 Cb 0.87 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2k3f h LEU 79 CO 0.00 0.71 0.49 0.11 0.09 0.00 0.00 178.44 179.84 2k3f h LYS 80 N 0.26 1.10 -1.00 1.13 1.57 -0.19 0.51 116.57 119.94 2k3f h LYS 80 Ca 0.02 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2k3f h LYS 80 Cb 0.85 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 2k3f h LYS 80 CO 0.07 0.77 0.65 0.87 -0.57 0.00 0.00 179.45 181.24 2k3f h LYS 81 N 1.11 1.21 0.16 3.15 1.79 -1.38 0.30 116.57 122.91 2k3f h LYS 81 Ca 0.29 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2k3f h LYS 81 Cb -0.05 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.33 2k3f h LYS 81 CO -0.06 0.80 -0.07 0.00 -1.08 0.00 0.00 179.45 179.04 2k3f h ALA 82 N 1.42 -0.21 -0.56 3.86 0.00 -0.85 -3.35 119.26 119.58 2k3f h ALA 82 Ca 0.41 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2k3f h ALA 82 Cb 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k3f h ALA 82 CO -0.13 -0.37 0.06 0.00 0.00 0.00 0.00 179.25 178.81 2k3f h ALA 83 N -0.01 1.07 -1.90 0.00 0.00 0.17 -3.46 119.26 115.14 2k3f h ALA 83 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k3f h ALA 83 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k3f h ALA 83 CO 0.04 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2k3f n GLY 84 N -0.67 0.42 2.72 0.00 0.00 0.10 -4.40 105.19 103.37 2k3f n GLY 84 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.75 -0.03 -1.72 -0.61 -5.35 -1.11 -4.96 119.36 104.83 2k3f n ILE 85 Ca 0.00 -1.63 -0.39 0.00 -0.27 0.00 0.00 62.75 60.46 2k3f n ILE 85 Cb 0.32 1.34 -0.04 0.00 -1.74 0.00 0.00 39.64 39.51 2k3f n ILE 85 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2k3f n GLU 86 N 1.51 2.03 -0.88 6.28 1.02 -1.26 -3.69 120.64 125.65 2k3f n GLU 86 Ca 0.09 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 2k3f n GLU 86 Cb 0.63 -3.30 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 2k3f n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k3f n LYS 87 N 7.40 0.00 -0.12 3.49 5.02 -1.26 -4.86 118.16 127.83 2k3f n LYS 87 Ca 0.49 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 2k3f n LYS 87 Cb 0.43 -2.52 0.17 0.00 -0.02 0.00 0.00 35.03 33.09 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3f n GLY 88 N -2.63 0.16 0.00 0.72 0.00 -1.24 -4.87 105.19 97.32 2k3f n GLY 88 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3f n SER 89 N 0.21 -0.35 -0.40 1.61 3.41 -1.26 -4.56 113.62 112.27 2k3f n SER 89 Ca 0.10 -0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 58.04 2k3f n SER 89 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2k3f n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k3f n SER 90 N -2.41 -1.93 0.06 4.04 2.88 -1.26 -4.71 113.62 110.28 2k3f n SER 90 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k3f n SER 90 Cb 0.00 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2k3f n SER 90 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k3f n GLU 91 N -1.43 0.00 -1.91 -1.46 2.13 -1.26 -5.09 120.64 111.62 2k3f n GLU 91 Ca -0.04 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.39 2k3f n GLU 91 Cb 0.51 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.19 2k3f n GLU 91 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2k3f s PRO 92 N -2.00 2.69 -0.34 5.31 0.02 -1.26 -4.87 135.00 134.55 2k3f s PRO 92 Ca 0.00 1.03 0.07 0.00 0.02 0.00 0.00 61.00 62.12 2k3f s PRO 92 Cb 0.00 -4.39 0.19 0.00 0.02 0.00 0.00 34.50 30.32 2k3f s PRO 92 CO 0.00 -2.63 0.60 0.15 -0.33 0.00 0.00 177.00 174.80 2k3f s LYS 93 N 6.96 0.66 0.13 5.54 1.02 -1.26 -4.66 119.74 128.14 2k3f s LYS 93 Ca 0.78 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.98 2k3f s LYS 93 Cb -0.17 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 2k3f s LYS 93 CO 0.25 -1.11 0.00 -2.13 -0.92 0.00 0.00 175.35 171.45 2k3f n ARG 94 N 5.01 0.00 0.00 1.68 0.63 -1.26 -4.92 116.66 117.80 2k3f n ARG 94 Ca 0.07 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.01 2k3f n ARG 94 Cb 0.55 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.51 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 -2.66 0.87 -1.70 -0.14 3.00 -1.26 -4.87 118.16 111.39 2k3f n LYS 95 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2k3f n LYS 95 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 35.03 33.99 2k3f n LYS 95 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2k3f n ILE 96 N -0.53 -6.44 -1.67 3.15 5.41 -1.26 -4.86 119.36 113.15 2k3f n ILE 96 Ca 0.01 1.10 -0.38 0.00 1.00 0.00 0.00 62.75 64.48 2k3f n ILE 96 Cb 0.01 -4.39 -0.03 0.00 -0.71 0.00 0.00 39.64 34.51 2k3f n ILE 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k3f s VAL 97 N -0.23 3.09 0.00 1.39 0.11 0.16 -4.74 120.40 120.18 2k3f s VAL 97 Ca -0.06 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2k3f s VAL 97 Cb 0.00 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2k3f s VAL 97 CO 0.15 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 2k3f n GLY 98 N 5.89 0.39 3.78 6.54 0.00 -1.26 -4.29 105.19 116.24 2k3f n GLY 98 Ca 0.32 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2k3f n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3f s LYS 99 N 0.00 2.15 0.00 1.61 -2.85 -1.26 -2.88 119.74 116.50 2k3f s LYS 99 Ca 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 2k3f s LYS 99 Cb 0.00 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 2k3f s LYS 99 CO 0.00 -0.99 0.00 1.33 0.10 0.00 0.00 175.35 175.79 2k3f n VAL 100 N -0.52 0.00 -3.61 1.79 0.24 -0.21 -4.61 118.33 111.42 2k3f n VAL 100 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 2k3f n VAL 100 Cb 0.60 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 2k3f n VAL 100 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k3f s THR 101 N -0.08 0.00 0.35 3.34 -1.32 -1.26 0.80 115.64 117.47 2k3f s THR 101 Ca 0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2k3f s THR 101 Cb 0.00 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 2k3f s THR 101 CO 0.00 0.00 1.64 -0.09 -2.21 0.00 0.00 174.62 173.96 2k3f h ARG 102 N 4.22 0.22 -0.56 7.08 9.65 -1.52 0.21 114.38 133.68 2k3f h ARG 102 Ca -0.27 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2k3f h ARG 102 Cb 1.16 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.66 2k3f h ARG 102 CO 0.15 0.15 0.37 -0.22 2.80 0.00 0.00 179.97 183.21 2k3f h LYS 103 N 0.23 0.74 -0.16 0.20 1.63 -1.94 0.66 116.57 117.93 2k3f h LYS 103 Ca 0.77 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.51 2k3f h LYS 103 Cb 1.85 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 2k3f h LYS 103 CO -0.65 0.50 0.05 1.96 -3.45 0.00 0.00 179.45 177.85 2k3f h GLN 104 N 0.76 0.24 -0.78 1.90 7.50 -1.04 -1.41 115.11 122.28 2k3f h GLN 104 Ca 0.20 -0.05 0.09 0.00 0.50 0.00 0.00 58.65 59.39 2k3f h GLN 104 Cb -0.08 -0.04 -0.10 0.00 0.05 0.00 0.00 27.48 27.31 2k3f h GLN 104 CO -0.04 0.35 -0.41 -0.89 -1.50 0.00 0.00 178.83 176.34 2k3f n ILE 105 N -4.85 -0.49 -0.15 2.54 2.08 -0.51 -2.09 119.36 115.89 2k3f n ILE 105 Ca -0.05 1.86 -0.07 0.00 0.56 0.00 0.00 62.75 65.05 2k3f n ILE 105 Cb 0.14 -2.35 -0.01 0.00 -0.75 0.00 0.00 39.64 36.67 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 -0.22 0.21 0.38 4.81 0.19 0.54 114.58 120.48 2k3f h GLU 106 Ca 0.17 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2k3f h GLU 106 Cb 0.36 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2k3f h GLU 106 CO -0.74 -0.15 -0.44 0.93 -0.73 0.00 0.00 179.01 177.87 2k3f h GLU 107 N -0.23 -0.71 -0.46 1.92 4.39 -0.82 1.02 114.58 119.69 2k3f h GLU 107 Ca 0.19 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.01 2k3f h GLU 107 Cb 0.55 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.26 2k3f h GLU 107 CO -0.59 -0.47 -0.39 0.82 -1.16 0.00 0.00 179.01 177.22 2k3f h ILE 108 N -0.74 0.14 -0.94 3.13 1.08 -1.05 -0.36 117.51 118.77 2k3f h ILE 108 Ca -0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 2k3f h ILE 108 Cb 0.72 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 2k3f h ILE 108 CO -0.20 0.00 0.60 0.00 -0.69 0.00 0.00 178.15 177.86 2k3f h ALA 109 N 0.61 1.78 0.28 1.87 0.00 0.11 -1.80 119.26 122.10 2k3f h ALA 109 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2k3f h ALA 109 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k3f h ALA 109 CO -0.60 -0.06 -0.13 0.87 0.00 0.00 0.00 179.25 179.33 2k3f h LYS 110 N 0.73 -0.36 -0.69 0.00 1.57 0.25 0.51 116.57 118.59 2k3f h LYS 110 Ca 0.49 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.44 2k3f h LYS 110 Cb 0.77 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 2k3f h LYS 110 CO -0.25 -0.05 0.47 0.00 -0.57 0.00 0.00 179.45 179.05 2k3f h THR 111 N -0.98 0.79 0.00 -0.16 1.03 -1.09 -1.11 112.91 111.40 2k3f h THR 111 Ca -0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 2k3f h THR 111 Cb 0.47 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2k3f h THR 111 CO 0.06 0.06 -0.72 0.29 -0.01 0.00 0.00 175.52 175.21 2k3f n LYS 112 N -4.46 0.14 -0.32 0.00 4.76 -0.68 -4.43 118.16 113.16 2k3f n LYS 112 Ca 0.13 0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.60 2k3f n LYS 112 Cb 0.53 -1.56 0.06 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.75 -0.16 0.29 1.97 0.00 0.18 0.87 117.12 118.52 2k3f n MET 113 Ca 0.04 1.34 0.16 0.00 -0.00 0.00 0.00 57.70 59.24 2k3f n MET 113 Cb 0.38 -1.99 0.85 0.00 0.00 0.00 0.00 33.22 32.47 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 0.01 2.12 0.13 -1.78 -2.70 132.00 129.78 2k3f h PRO 114 Ca 0.34 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 65.07 2k3f h PRO 114 Cb 0.56 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 2k3f h PRO 114 CO -0.87 0.06 -2.45 -3.47 -0.23 0.00 0.00 178.00 171.05 2k3f n ASP 115 N -3.41 1.98 0.00 1.44 2.03 0.15 -4.25 116.55 114.50 2k3f n ASP 115 Ca -0.02 -0.01 0.03 0.00 0.52 0.00 0.00 54.79 55.31 2k3f n ASP 115 Cb 0.20 -0.53 0.18 0.00 -0.72 0.00 0.00 41.12 40.25 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k3f n LEU 116 N -3.49 0.00 -3.68 -2.67 4.32 0.25 -4.78 117.00 106.95 2k3f n LEU 116 Ca -0.47 0.01 -0.24 0.00 -0.02 0.00 0.00 56.01 55.29 2k3f n LEU 116 Cb 0.97 -0.01 0.06 0.00 -1.62 0.00 0.00 43.42 42.81 2k3f n LEU 116 CO 0.22 -0.01 0.12 -0.46 -1.22 0.00 0.00 177.39 176.04 2k3f n ASN 117 N -1.01 -4.09 0.00 -1.43 6.94 -1.19 -4.92 115.26 109.56 2k3f n ASN 117 Ca 0.05 -0.68 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 2k3f n ASN 117 Cb 0.02 -4.53 0.00 0.00 -2.36 0.00 0.00 39.78 32.92 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k3f n ALA 118 N -4.61 -0.20 0.00 -2.53 0.00 -1.02 -4.94 120.51 107.21 2k3f n ALA 118 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3f n ALA 118 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.31 0.00 -3.70 0.00 2.85 -1.26 -4.83 115.26 107.01 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 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 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 -0.52 0.42 1.20 0.15 -1.26 -5.06 113.70 108.63 2k3f s SER 120 Ca 0.00 1.00 0.19 0.00 0.70 0.00 0.00 55.95 57.84 2k3f s SER 120 Cb 0.00 1.01 1.12 0.00 -1.71 0.00 0.00 66.02 66.44 2k3f s SER 120 CO 0.00 -0.17 1.82 0.25 1.20 0.00 0.00 173.24 176.33 2k3f h LEU 121 N 5.40 0.40 -0.93 3.45 7.12 -1.93 -0.27 115.31 128.55 2k3f h LEU 121 Ca -0.28 0.06 0.18 0.00 0.13 0.00 0.00 57.88 57.97 2k3f h LEU 121 Cb 1.18 -0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 41.19 2k3f h LEU 121 CO 0.19 0.12 0.52 -0.33 -0.13 0.00 0.00 178.44 178.81 2k3f h GLU 122 N 0.38 0.64 -0.17 1.25 3.07 -1.98 0.49 114.58 118.26 2k3f h GLU 122 Ca 0.53 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.33 2k3f h GLU 122 Cb 1.38 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 2k3f h GLU 122 CO -0.22 0.43 0.01 0.00 -1.40 0.00 0.00 179.01 177.83 2k3f h ALA 123 N 1.62 0.22 -0.14 3.43 0.00 -1.38 -2.48 119.26 120.55 2k3f h ALA 123 Ca 0.53 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.29 2k3f h ALA 123 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k3f h ALA 123 CO -0.39 -0.08 0.10 0.00 0.00 0.00 0.00 179.25 178.87 2k3f h ALA 124 N 0.78 2.12 -0.93 0.00 0.00 -0.93 -1.08 119.26 119.22 2k3f h ALA 124 Ca 0.05 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2k3f h ALA 124 Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2k3f h ALA 124 CO 0.01 -0.17 0.57 0.52 0.00 0.00 0.00 179.25 180.17 2k3f h MET 125 N 0.00 0.89 0.40 0.00 2.86 0.34 -2.07 114.93 117.34 2k3f h MET 125 Ca 0.07 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2k3f h MET 125 Cb 0.27 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k3f h MET 125 CO -0.00 0.59 -0.19 0.87 1.06 0.00 0.00 176.91 179.24 2k3f h LYS 126 N 0.92 -0.51 0.20 1.72 6.56 -1.10 -0.06 116.57 124.29 2k3f h LYS 126 Ca 0.45 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 60.09 2k3f h LYS 126 Cb 0.43 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 2k3f h LYS 126 CO -0.26 -0.25 -0.50 0.97 -2.06 0.00 0.00 179.45 177.35 2k3f h ILE 127 N -0.70 0.04 -0.02 1.86 -0.00 -1.40 0.25 117.51 117.55 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 0.50 0.04 -0.06 0.00 -0.00 0.00 0.00 36.82 37.30 2k3f h ILE 127 CO 0.09 0.00 -0.39 0.40 -0.00 0.00 0.00 178.15 178.25 2k3f h ILE 128 N -0.79 0.20 -0.76 2.19 1.08 -1.43 0.82 117.51 118.82 2k3f h ILE 128 Ca -0.01 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.60 2k3f h ILE 128 Cb 0.77 0.20 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 2k3f h ILE 128 CO -0.23 0.00 0.32 -0.33 -0.69 0.00 0.00 178.15 177.22 2k3f h GLU 129 N -0.53 0.47 -0.18 2.37 5.08 -0.89 0.36 114.58 121.25 2k3f h GLU 129 Ca 0.06 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2k3f h GLU 129 Cb 0.62 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k3f h GLU 129 CO -0.31 0.31 -0.11 0.78 -1.00 0.00 0.00 179.01 178.67 2k3f h GLY 130 N 0.48 0.43 -0.17 -3.84 0.00 0.10 0.31 103.07 100.38 2k3f h GLY 130 Ca 0.41 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2k3f h GLY 130 CO -0.38 0.37 -0.29 -0.84 0.00 0.00 0.00 176.54 175.39 2k3f h THR 131 N 0.08 0.00 -0.53 4.70 2.02 0.11 0.24 112.91 119.54 2k3f h THR 131 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 2k3f h THR 131 Cb 0.61 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.91 2k3f h THR 131 CO 0.03 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.66 2k3f h ALA 132 N -0.71 0.08 -0.17 6.16 0.00 -0.05 0.34 119.26 124.91 2k3f h ALA 132 Ca 0.03 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2k3f h ALA 132 Cb 0.33 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2k3f h ALA 132 CO -0.29 -0.60 -0.25 0.87 0.00 0.00 0.00 179.25 178.99 2k3f h LYS 133 N -0.13 -0.28 0.00 0.00 1.57 -0.12 0.02 116.57 117.63 2k3f h LYS 133 Ca 0.23 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2k3f h LYS 133 Cb 0.51 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2k3f h LYS 133 CO -0.61 -0.19 -0.23 0.66 -0.57 0.00 0.00 179.45 178.52 2k3f h SER 134 N -0.29 0.00 0.65 0.86 4.64 0.37 -2.16 113.55 117.61 2k3f h SER 134 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k3f h SER 134 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2k3f h SER 134 CO -0.34 0.23 0.00 0.23 -0.87 0.00 0.00 176.83 176.08 2k3f n MET 135 N -3.61 0.12 -0.18 4.77 2.81 0.11 -4.88 117.12 116.27 2k3f n MET 135 Ca -0.01 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2k3f n MET 135 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.77 0.67 3.80 3.03 0.00 -0.81 -4.81 105.19 107.85 2k3f n GLY 136 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.26 5.20 0.46 -0.61 1.01 -0.12 0.36 121.20 125.23 2k3f s ILE 137 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2k3f s ILE 137 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2k3f s ILE 137 CO 0.00 0.51 0.84 -0.70 0.00 0.00 0.00 174.94 175.59 2k3f s GLU 138 N -0.49 3.74 -0.13 2.79 2.12 -1.14 -3.59 118.70 122.00 2k3f s GLU 138 Ca 0.21 0.53 0.03 0.00 0.36 0.00 0.00 54.97 56.09 2k3f s GLU 138 Cb -0.15 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 31.94 2k3f s GLU 138 CO 0.09 -0.17 -0.22 0.14 -0.54 0.00 0.00 175.26 174.56 2k3f s VAL 139 N -2.57 2.06 0.38 3.70 -7.23 -1.26 -1.04 120.40 114.44 2k3f s VAL 139 Ca 0.52 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.78 2k3f s VAL 139 Cb -0.10 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2k3f s VAL 139 CO 0.36 0.55 0.33 0.68 -0.31 0.00 0.00 175.10 176.71 2k3f s VAL 140 N 0.70 2.97 -1.69 1.32 -7.23 0.24 -4.83 120.40 111.88 2k3f s VAL 140 Ca -0.10 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2k3f s VAL 140 Cb -0.16 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2k3f s VAL 140 CO 0.01 -0.07 0.42 0.47 -0.31 0.00 0.00 175.10 175.62