#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 -2.60 -2.70 3.04 0.00 -1.26 -4.97 120.51 112.01 2k3f n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2k3f n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k3f n ALA 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k3f s LYS 3 N -1.12 3.60 -1.22 0.00 2.47 -1.26 -4.94 119.74 117.27 2k3f s LYS 3 Ca 0.00 -1.38 -0.17 0.00 -1.56 0.00 0.00 55.97 52.86 2k3f s LYS 3 Cb 0.00 -5.19 -0.03 0.00 -1.46 0.00 0.00 37.83 31.15 2k3f s LYS 3 CO 0.00 -2.04 2.12 1.63 0.16 0.00 0.00 175.35 177.22 2k3f n LYS 4 N 7.96 2.39 -2.39 4.03 4.76 -1.26 -4.92 118.16 128.73 2k3f n LYS 4 Ca 0.30 -2.35 -0.43 0.00 -2.87 0.00 0.00 58.31 52.96 2k3f n LYS 4 Cb 0.50 -3.16 -0.02 0.00 -1.84 0.00 0.00 35.03 30.50 2k3f n LYS 4 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k3f s VAL 5 N 3.85 4.20 -0.20 -0.18 1.01 -1.26 0.14 120.40 127.96 2k3f s VAL 5 Ca 0.51 1.45 0.08 0.00 0.00 0.00 0.00 61.98 64.02 2k3f s VAL 5 Cb 0.14 -3.97 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 2k3f s VAL 5 CO -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 175.10 174.94 2k3f n ALA 6 N 6.79 1.41 -3.33 5.51 0.00 0.24 -4.67 120.51 126.46 2k3f n ALA 6 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2k3f n ALA 6 Cb 0.45 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.65 2k3f n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f n ALA 7 N -2.97 -0.79 -3.65 0.00 0.00 -0.21 -4.99 120.51 107.90 2k3f n ALA 7 Ca -0.37 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 2k3f n ALA 7 Cb 1.07 0.39 -0.15 0.00 0.00 0.00 0.00 19.45 20.75 2k3f n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k3f s GLN 8 N -2.03 0.02 -0.68 0.00 -0.21 -1.26 -1.80 119.66 113.71 2k3f s GLN 8 Ca 0.07 0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.74 2k3f s GLN 8 Cb -0.02 -0.19 0.17 0.00 1.00 0.00 0.00 33.01 33.97 2k3f s GLN 8 CO 0.04 -0.15 0.47 0.42 -2.12 0.00 0.00 175.29 173.96 2k3f s ILE 9 N 0.98 2.76 -0.03 1.08 -1.09 0.22 -4.91 121.20 120.22 2k3f s ILE 9 Ca -0.08 -4.14 -0.30 0.00 -2.23 0.00 0.00 60.65 53.90 2k3f s ILE 9 Cb -0.11 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 2k3f s ILE 9 CO -0.04 -1.00 1.01 -0.75 -1.23 0.00 0.00 174.94 172.93 2k3f s LYS 10 N -1.31 4.50 -0.26 2.79 2.20 -1.26 -1.37 119.74 125.04 2k3f s LYS 10 Ca 0.25 1.45 -0.13 0.00 -0.36 0.00 0.00 55.97 57.17 2k3f s LYS 10 Cb -0.06 -3.48 0.08 0.00 -1.51 0.00 0.00 37.83 32.87 2k3f s LYS 10 CO -0.15 -0.16 0.61 -0.48 -0.36 0.00 0.00 175.35 174.81 2k3f s LEU 11 N 1.35 -0.79 -0.24 5.43 0.05 -0.91 -4.96 118.68 118.61 2k3f s LEU 11 Ca 0.52 1.37 -0.29 0.00 0.05 0.00 0.00 54.13 55.78 2k3f s LEU 11 Cb -0.21 2.11 0.01 0.00 -2.05 0.00 0.00 46.19 46.05 2k3f s LEU 11 CO 0.25 -0.23 1.07 -1.10 -0.55 0.00 0.00 176.35 175.79 2k3f s GLN 12 N 1.83 4.22 -0.00 1.48 1.11 -1.26 -2.69 119.66 124.35 2k3f s GLN 12 Ca -0.09 1.33 0.02 0.00 0.01 0.00 0.00 55.36 56.63 2k3f s GLN 12 Cb -0.07 -3.67 -0.01 0.00 -1.01 0.00 0.00 33.01 28.25 2k3f s GLN 12 CO -0.18 -0.69 -0.06 -0.51 0.01 0.00 0.00 175.29 173.86 2k3f s LEU 13 N 3.32 2.02 0.06 2.90 1.43 0.07 -4.87 118.68 123.60 2k3f s LEU 13 Ca 0.45 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 2k3f s LEU 13 Cb -0.15 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 45.68 2k3f s LEU 13 CO 0.09 0.06 1.84 -2.84 0.23 0.00 0.00 176.35 175.72 2k3f s PRO 14 N -0.18 4.15 0.12 1.29 0.02 -1.23 0.11 135.00 139.28 2k3f s PRO 14 Ca 0.02 2.51 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 2k3f s PRO 14 Cb -0.02 -3.87 -0.10 0.00 0.02 0.00 0.00 34.50 30.52 2k3f s PRO 14 CO -0.00 -0.87 1.82 0.00 -0.33 0.00 0.00 177.00 177.61 2k3f s ALA 15 N 3.58 3.75 0.00 -1.55 0.00 0.35 0.12 121.76 128.01 2k3f s ALA 15 Ca 0.82 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.20 2k3f s ALA 15 Cb -0.42 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2k3f s ALA 15 CO 0.37 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2k3f n GLY 16 N 4.22 0.85 2.69 0.00 0.00 -1.25 -0.55 105.19 111.15 2k3f n GLY 16 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.19 0.21 -0.29 1.61 2.47 0.12 -4.99 119.74 118.67 2k3f s LYS 17 Ca 0.00 -0.07 -0.16 0.00 -1.56 0.00 0.00 55.97 54.18 2k3f s LYS 17 Cb 0.00 -1.12 0.17 0.00 -1.46 0.00 0.00 37.83 35.42 2k3f s LYS 17 CO 0.00 -0.83 1.07 0.00 0.16 0.00 0.00 175.35 175.75 2k3f s ALA 18 N 2.27 -2.46 0.00 3.13 0.00 -1.26 -3.49 121.76 119.94 2k3f s ALA 18 Ca 0.07 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2k3f s ALA 18 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2k3f s ALA 18 CO -0.22 -0.41 0.00 2.41 0.00 0.00 0.00 175.76 177.54 2k3f n THR 19 N 3.65 0.00 -3.56 0.00 -1.04 -1.26 -4.60 114.28 107.46 2k3f n THR 19 Ca -0.17 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.46 2k3f n THR 19 Cb 0.57 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.98 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2k3f s PRO 20 N -1.35 4.03 0.00 -2.82 0.04 -1.26 -4.79 135.00 128.85 2k3f s PRO 20 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2k3f s PRO 20 Cb 0.00 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2k3f s PRO 20 CO 0.00 -0.10 0.00 0.00 0.04 0.00 0.00 177.00 176.94 2k3f n ALA 21 N 4.78 0.00 -0.05 8.56 0.00 -1.26 -3.54 120.51 129.00 2k3f n ALA 21 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k3f n ALA 21 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.09 -0.03 0.00 0.00 -0.02 -1.26 0.14 135.00 133.73 2k3f n PRO 22 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2k3f n PRO 22 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 2k3f n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k3f n PRO 23 N -4.16 0.00 -0.09 0.52 -0.04 -1.23 -4.65 135.00 125.34 2k3f n PRO 23 Ca 0.01 0.18 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2k3f n PRO 23 Cb 0.04 -0.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2k3f n PRO 23 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k3f h VAL 24 N 0.00 1.11 0.00 0.52 2.07 -1.26 -2.66 116.25 116.03 2k3f h VAL 24 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2k3f h VAL 24 Cb 0.00 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2k3f h VAL 24 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2k3f n GLY 25 N -1.05 -2.99 0.31 2.17 0.00 0.37 -1.58 105.19 102.42 2k3f n GLY 25 Ca -0.01 0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 0.27 0.00 1.61 0.11 -1.67 0.29 132.00 132.60 2k3f h PRO 26 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2k3f h PRO 26 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2k3f h PRO 26 CO 0.00 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 2k3f n ALA 27 N -2.57 0.00 0.21 -0.75 0.00 -0.89 -2.57 120.51 113.95 2k3f n ALA 27 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.76 2k3f n ALA 27 Cb 0.74 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.63 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 -0.95 0.00 -0.00 -1.38 -3.16 115.31 109.82 2k3f h LEU 28 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2k3f h LEU 28 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2k3f h LEU 28 CO 0.00 0.28 -0.14 1.23 -0.00 0.00 0.00 178.44 179.81 2k3f h GLY 29 N 1.80 0.65 1.81 0.17 0.00 -0.51 0.93 103.07 107.93 2k3f h GLY 29 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.87 2k3f h GLY 29 CO 0.04 0.44 0.07 -1.61 0.00 0.00 0.00 176.54 175.48 2k3f h GLN 30 N 0.55 0.00 -0.62 4.80 4.15 -1.46 0.13 115.11 122.66 2k3f h GLN 30 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2k3f h GLN 30 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2k3f h GLN 30 CO 0.04 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.66 2k3f n HIS 31 N -3.91 1.83 -0.72 3.99 8.25 0.24 -4.89 115.22 120.01 2k3f n HIS 31 Ca -0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2k3f n HIS 31 Cb 0.17 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 0.84 0.72 3.84 -1.41 0.00 0.46 -4.96 105.19 104.69 2k3f n GLY 32 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.52 4.68 -0.51 1.61 1.01 -0.69 -4.95 120.40 119.03 2k3f s VAL 33 Ca 0.00 1.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 2k3f s VAL 33 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2k3f s VAL 33 CO 0.00 -0.01 1.91 0.20 0.00 0.00 0.00 175.10 177.20 2k3f s ASN 34 N -2.03 5.35 0.23 3.32 0.01 -1.26 -3.97 114.94 116.60 2k3f s ASN 34 Ca 0.48 0.72 -0.07 0.00 -0.71 0.00 0.00 52.86 53.29 2k3f s ASN 34 Cb -0.13 -2.52 0.40 0.00 0.41 0.00 0.00 41.25 39.40 2k3f s ASN 34 CO 0.19 -2.24 1.70 0.40 -1.51 0.00 0.00 177.10 175.64 2k3f h ILE 35 N 6.96 0.59 0.14 0.60 2.04 -1.93 -0.19 117.51 125.73 2k3f h ILE 35 Ca -0.28 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2k3f h ILE 35 Cb 1.18 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k3f h ILE 35 CO 1.16 0.06 -0.07 0.00 0.00 0.00 0.00 178.15 179.29 2k3f h MET 36 N 0.31 -0.19 -0.92 2.37 -0.00 -1.88 0.88 114.93 115.50 2k3f h MET 36 Ca 0.38 0.01 0.09 0.00 -0.00 0.00 0.00 59.70 60.18 2k3f h MET 36 Cb 0.60 0.04 -0.07 0.00 -0.00 0.00 0.00 31.60 32.17 2k3f h MET 36 CO -0.45 0.16 0.59 1.49 -0.00 0.00 0.00 176.91 178.70 2k3f h GLU 37 N -0.55 0.91 0.93 -0.10 4.81 -1.92 0.63 114.58 119.28 2k3f h GLU 37 Ca -0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2k3f h GLU 37 Cb 0.43 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2k3f h GLU 37 CO 0.03 0.60 -0.46 0.35 -0.73 0.00 0.00 179.01 178.81 2k3f h PHE 38 N 0.94 -1.19 -0.00 0.92 3.57 -0.83 -2.92 116.94 117.43 2k3f h PHE 38 Ca 0.42 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.92 2k3f h PHE 38 Cb 0.37 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 2k3f h PHE 38 CO -0.00 -0.73 -0.22 0.00 -2.23 0.00 0.00 178.31 175.13 2k3f h LYS 40 N -0.34 0.00 0.00 0.00 1.63 0.10 0.96 116.57 118.92 2k3f h LYS 40 Ca 0.06 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2k3f h LYS 40 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2k3f h LYS 40 CO -0.20 0.00 -0.00 0.00 -3.45 0.00 0.00 179.45 175.80 2k3f h ARG 41 N 0.00 -0.00 -0.60 1.90 3.08 -0.98 -3.11 114.38 114.66 2k3f h ARG 41 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2k3f h ARG 41 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2k3f h ARG 41 CO 0.00 -0.00 0.23 0.35 -1.07 0.00 0.00 179.97 179.48 2k3f h PHE 42 N -0.75 0.40 0.13 3.04 3.57 0.81 0.21 116.94 124.34 2k3f h PHE 42 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2k3f h PHE 42 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2k3f h PHE 42 CO 0.00 0.11 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.21 2k3f h ASN 43 N 0.41 -0.15 -0.57 0.41 -0.26 -1.02 0.44 115.58 114.85 2k3f h ASN 43 Ca 0.30 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.95 2k3f h ASN 43 Cb 0.37 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 2k3f h ASN 43 CO -0.30 -0.04 0.22 0.00 -1.06 0.00 0.00 177.43 176.25 2k3f h ALA 44 N 0.62 1.25 -0.25 -0.83 0.00 -1.23 -0.64 119.26 118.17 2k3f h ALA 44 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k3f h ALA 44 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k3f h ALA 44 CO 0.03 0.54 -0.06 0.93 0.00 0.00 0.00 179.25 180.69 2k3f h GLU 45 N 0.88 0.49 -0.07 0.00 4.39 -0.25 -3.16 114.58 116.86 2k3f h GLU 45 Ca 0.20 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k3f h GLU 45 Cb 0.21 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k3f h GLU 45 CO -0.01 0.71 0.00 0.25 -1.16 0.00 0.00 179.01 178.80 2k3f n THR 46 N -4.55 0.08 -0.33 1.13 -2.24 0.15 -4.09 114.28 104.42 2k3f n THR 46 Ca -0.04 -0.18 0.24 0.00 -2.27 0.00 0.00 64.05 61.80 2k3f n THR 46 Cb 0.30 0.09 0.51 0.00 -2.10 0.00 0.00 70.33 69.13 2k3f n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3f h ALA 47 N 3.98 2.25 0.10 6.98 0.00 -1.08 0.24 119.26 131.72 2k3f h ALA 47 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.69 2k3f h ALA 47 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k3f h ALA 47 CO 0.00 -0.68 -1.44 -0.44 0.00 0.00 0.00 179.25 176.69 2k3f h ASP 48 N 0.37 0.34 -0.54 0.00 5.19 -1.84 -3.20 116.42 116.74 2k3f h ASP 48 Ca 0.62 -0.44 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2k3f h ASP 48 Cb 1.59 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.96 2k3f h ASP 48 CO -0.32 1.36 0.05 0.29 -3.12 0.00 0.00 179.24 177.50 2k3f n LYS 49 N -3.43 4.28 -1.42 3.56 5.02 -0.39 -4.99 118.16 120.78 2k3f n LYS 49 Ca -0.13 -2.79 -0.36 0.00 -2.02 0.00 0.00 58.31 53.01 2k3f n LYS 49 Cb 1.03 -2.17 0.07 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.43 -0.33 -0.29 7.82 0.00 0.70 -3.76 120.51 125.08 2k3f n ALA 50 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2k3f n ALA 50 Cb 1.13 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.25 0.83 2.77 0.00 0.00 0.28 -4.93 105.19 105.40 2k3f n GLY 51 Ca 0.13 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.63 0.26 -0.85 1.61 1.00 -1.24 -4.90 119.30 114.54 2k3f s MET 52 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 55.69 55.59 2k3f s MET 52 Cb 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 34.83 34.18 2k3f s MET 52 CO 0.00 -0.21 2.12 0.42 0.00 0.00 0.00 175.02 177.35 2k3f s ILE 53 N 1.46 3.28 -0.02 2.53 -1.09 -1.26 0.13 121.20 126.23 2k3f s ILE 53 Ca -0.04 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 57.86 2k3f s ILE 53 Cb -0.13 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2k3f s ILE 53 CO -0.03 -0.59 1.01 -0.76 -1.23 0.00 0.00 174.94 173.34 2k3f s LEU 54 N 11.86 4.34 -0.79 2.97 1.43 0.30 -4.72 118.68 134.08 2k3f s LEU 54 Ca 0.79 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 55.29 2k3f s LEU 54 Cb -0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2k3f s LEU 54 CO 0.03 -0.33 1.77 -2.84 0.23 0.00 0.00 176.35 175.21 2k3f s PRO 55 N 1.31 2.79 0.34 1.29 0.02 -1.26 -0.75 135.00 138.74 2k3f s PRO 55 Ca 0.52 -0.05 -0.03 0.00 0.02 0.00 0.00 61.00 61.46 2k3f s PRO 55 Cb -0.21 -4.74 -0.04 0.00 0.02 0.00 0.00 34.50 29.53 2k3f s PRO 55 CO 0.25 -2.84 0.59 0.54 -0.33 0.00 0.00 177.00 175.21 2k3f s VAL 56 N 8.53 5.04 -0.10 3.83 0.11 -1.09 -0.34 120.40 136.37 2k3f s VAL 56 Ca 0.62 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 2k3f s VAL 56 Cb -0.08 -3.81 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2k3f s VAL 56 CO 0.08 -0.51 0.01 -0.69 -3.33 0.00 0.00 175.10 170.66 2k3f s VAL 57 N -2.29 0.44 -0.09 2.04 1.01 0.97 -2.14 120.40 120.33 2k3f s VAL 57 Ca 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2k3f s VAL 57 Cb -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2k3f s VAL 57 CO 0.35 0.15 0.01 -0.63 0.00 0.00 0.00 175.10 174.98 2k3f s ILE 58 N 1.93 4.37 -0.36 2.22 1.01 -0.47 -0.22 121.20 129.69 2k3f s ILE 58 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2k3f s ILE 58 Cb -0.13 -2.84 0.11 0.00 0.01 0.00 0.00 42.46 39.60 2k3f s ILE 58 CO -0.06 0.60 0.09 -0.89 0.00 0.00 0.00 174.94 174.68 2k3f s THR 59 N -0.83 1.92 0.04 2.92 2.01 0.60 0.73 115.64 123.03 2k3f s THR 59 Ca 0.13 -2.24 -0.22 0.00 0.31 0.00 0.00 61.69 59.67 2k3f s THR 59 Cb -0.11 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 2k3f s THR 59 CO 0.02 -0.66 0.67 0.54 -0.69 0.00 0.00 174.62 174.50 2k3f s VAL 60 N 0.91 4.77 0.54 3.82 0.11 -0.74 -2.28 120.40 127.53 2k3f s VAL 60 Ca 0.12 1.42 0.02 0.00 -2.93 0.00 0.00 61.98 60.61 2k3f s VAL 60 Cb -0.20 -4.01 0.03 0.00 -1.53 0.00 0.00 36.38 30.68 2k3f s VAL 60 CO -0.11 0.43 0.75 -0.31 -3.33 0.00 0.00 175.10 172.53 2k3f s TYR 61 N -0.36 2.82 0.14 1.54 2.02 0.93 0.79 117.35 125.22 2k3f s TYR 61 Ca 0.34 -0.07 0.33 0.00 -0.37 0.00 0.00 57.07 57.29 2k3f s TYR 61 Cb -0.20 -2.71 1.66 0.00 -0.40 0.00 0.00 41.96 40.31 2k3f s TYR 61 CO 0.20 -0.84 1.99 0.93 -1.57 0.00 0.00 175.55 176.27 2k3f h GLU 62 N 0.13 0.00 0.00 -0.62 5.08 0.93 0.37 114.58 120.47 2k3f h GLU 62 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2k3f h GLU 62 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k3f h GLU 62 CO 0.51 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 2k3f n ASP 63 N -2.70 0.13 0.00 1.42 9.92 -1.26 -4.85 116.55 119.21 2k3f n ASP 63 Ca -0.01 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2k3f n ASP 63 Cb 0.12 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 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 -1.62 0.00 -0.94 -1.24 5.02 0.13 -5.03 118.16 114.47 2k3f n LYS 64 Ca 0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 2k3f n LYS 64 Cb 0.32 -2.52 0.24 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.15 -2.27 4.39 3.41 -1.24 -4.51 113.62 111.25 2k3f n SER 65 Ca 0.00 -1.11 -0.01 0.00 -0.26 0.00 0.00 58.87 57.49 2k3f n SER 65 Cb 0.00 -0.95 0.01 0.00 -0.26 0.00 0.00 64.21 63.01 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 -4.78 -0.77 -3.89 7.33 -1.74 -1.26 -0.05 117.46 112.30 2k3f n PHE 66 Ca 0.14 -0.57 -0.08 0.00 -0.56 0.00 0.00 57.45 56.39 2k3f n PHE 66 Cb 0.56 0.27 -0.03 0.00 1.52 0.00 0.00 39.48 41.80 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 -2.24 0.00 0.08 1.97 -4.23 -0.97 -4.93 115.64 105.33 2k3f s THR 67 Ca 0.13 -1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 2k3f s THR 67 Cb -0.01 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.80 2k3f s THR 67 CO 0.02 0.00 0.58 0.72 -0.54 0.00 0.00 174.62 175.40 2k3f s PHE 68 N -3.87 -0.52 0.11 3.99 -0.71 -1.26 -0.29 117.98 115.44 2k3f s PHE 68 Ca 0.14 0.51 0.06 0.00 -1.04 0.00 0.00 56.93 56.61 2k3f s PHE 68 Cb -0.05 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 2k3f s PHE 68 CO 0.08 -0.74 -0.15 0.96 -1.34 0.00 0.00 175.22 174.03 2k3f s ILE 69 N -2.87 1.38 -0.14 -4.49 -4.36 0.70 -4.95 121.20 106.47 2k3f s ILE 69 Ca -0.03 -1.64 -0.04 0.00 -0.26 0.00 0.00 60.65 58.68 2k3f s ILE 69 Cb -0.00 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 42.20 2k3f s ILE 69 CO -0.05 -0.33 -0.02 -0.63 0.24 0.00 0.00 174.94 174.16 2k3f s ILE 70 N -1.85 4.10 -1.12 8.37 -1.09 -1.26 -0.02 121.20 128.33 2k3f s ILE 70 Ca 0.07 -0.29 -0.22 0.00 -2.23 0.00 0.00 60.65 57.99 2k3f s ILE 70 Cb -0.07 -2.79 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2k3f s ILE 70 CO 0.03 0.51 1.67 -0.54 -1.23 0.00 0.00 174.94 175.39 2k3f s LYS 71 N 0.11 3.44 0.59 2.79 -0.14 0.54 -4.76 119.74 122.32 2k3f s LYS 71 Ca 0.01 -1.30 0.36 0.00 -1.36 0.00 0.00 55.97 53.68 2k3f s LYS 71 Cb -0.13 -5.36 1.86 0.00 -1.68 0.00 0.00 37.83 32.51 2k3f s LYS 71 CO 0.02 -2.61 2.19 0.00 -0.76 0.00 0.00 175.35 174.19 2k3f h THR 72 N 6.39 0.19 -2.11 2.17 1.03 -1.90 -3.35 112.91 115.32 2k3f h THR 72 Ca 0.27 -0.28 -0.77 0.00 -0.01 0.00 0.00 66.41 65.62 2k3f h THR 72 Cb 0.95 1.23 -0.28 0.00 -1.07 0.00 0.00 68.15 68.98 2k3f h THR 72 CO 1.38 0.03 0.89 -0.81 -0.01 0.00 0.00 175.52 177.00 2k3f n PRO 73 N -3.28 4.11 0.20 0.00 -0.04 -1.26 -4.19 135.00 130.54 2k3f n PRO 73 Ca -0.02 -4.19 0.14 0.00 -0.04 0.00 0.00 63.50 59.40 2k3f n PRO 73 Cb 0.18 -2.36 0.54 0.00 -0.04 0.00 0.00 33.50 31.82 2k3f n PRO 73 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2k3f h PRO 74 N 3.56 0.00 0.00 0.54 0.11 -2.00 -3.47 132.00 130.74 2k3f h PRO 74 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2k3f h PRO 74 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2k3f h PRO 74 CO 1.26 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 179.05 2k3f n ALA 75 N -1.94 0.00 -0.36 -0.75 0.00 -1.26 -4.42 120.51 111.77 2k3f n ALA 75 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 2k3f n ALA 75 Cb 0.31 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.94 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 1.01 0.43 0.00 4.64 -1.94 0.38 113.55 118.07 2k3f h SER 76 Ca 0.00 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 2k3f h SER 76 Cb 0.00 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2k3f h SER 76 CO 0.00 0.63 -0.81 2.19 -0.87 0.00 0.00 176.83 177.97 2k3f h PHE 77 N 1.14 0.40 0.00 4.77 -0.00 -1.95 0.11 116.94 121.40 2k3f h PHE 77 Ca 0.44 -0.20 0.00 0.00 -0.00 0.00 0.00 57.97 58.21 2k3f h PHE 77 Cb 0.22 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.11 2k3f h PHE 77 CO -0.00 0.97 -0.85 1.25 -0.00 0.00 0.00 178.31 179.68 2k3f h LEU 78 N 0.18 0.00 -1.06 2.10 5.85 -1.80 -2.69 115.31 117.88 2k3f h LEU 78 Ca -0.04 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2k3f h LEU 78 Cb 1.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2k3f h LEU 78 CO 0.13 0.05 -0.20 0.25 -0.34 0.00 0.00 178.44 178.34 2k3f h LEU 79 N 0.00 0.00 -1.80 2.25 5.85 0.01 -0.26 115.31 121.36 2k3f h LEU 79 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k3f h LEU 79 Cb 0.89 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2k3f h LEU 79 CO 0.00 0.20 -0.15 0.11 -0.34 0.00 0.00 178.44 178.26 2k3f h LYS 80 N 0.00 0.00 -0.48 1.25 1.79 -0.44 0.58 116.57 119.27 2k3f h LYS 80 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k3f h LYS 80 Cb 0.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2k3f h LYS 80 CO 0.03 0.15 0.31 0.87 -1.08 0.00 0.00 179.45 179.72 2k3f h LYS 81 N 0.00 0.63 0.27 3.15 6.56 -0.98 -3.29 116.57 122.91 2k3f h LYS 81 Ca -0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2k3f h LYS 81 Cb 0.32 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2k3f h LYS 81 CO 0.02 0.44 -0.13 0.00 -2.06 0.00 0.00 179.45 177.72 2k3f h ALA 82 N 1.16 -0.36 -2.23 3.86 0.00 -1.36 -3.44 119.26 116.90 2k3f h ALA 82 Ca 0.17 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 2k3f h ALA 82 Cb -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k3f h ALA 82 CO -0.04 -0.42 0.83 0.00 0.00 0.00 0.00 179.25 179.62 2k3f s ALA 83 N -4.05 3.60 -1.86 0.00 0.00 0.20 -4.78 121.76 114.86 2k3f s ALA 83 Ca -0.12 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.46 2k3f s ALA 83 Cb 0.01 -3.59 0.19 0.00 0.00 0.00 0.00 23.12 19.74 2k3f s ALA 83 CO 0.44 -1.02 1.12 0.41 0.00 0.00 0.00 175.76 176.71 2k3f n GLY 84 N 3.55 0.20 1.04 0.00 0.00 -1.26 -4.17 105.19 104.55 2k3f n GLY 84 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.13 0.51 1.10 -0.61 -5.35 -1.26 -4.27 119.36 109.60 2k3f n ILE 85 Ca 0.07 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2k3f n ILE 85 Cb 0.22 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 2k3f n ILE 85 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2k3f n GLU 86 N 0.81 0.61 -3.18 6.28 4.07 -1.26 -4.10 120.64 123.86 2k3f n GLU 86 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2k3f n GLU 86 Cb 0.24 -1.06 -0.01 0.00 -0.06 0.00 0.00 31.44 30.56 2k3f n GLU 86 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2k3f s LYS 87 N -1.82 0.77 0.00 5.31 1.02 -1.26 -5.05 119.74 118.71 2k3f s LYS 87 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.77 2k3f s LYS 87 Cb 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2k3f s LYS 87 CO 0.00 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.72 2k3f n GLY 88 N 4.41 1.11 2.74 -3.33 0.00 -1.26 -5.12 105.19 103.74 2k3f n GLY 88 Ca 0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -2.91 -0.64 1.61 3.41 -1.26 -4.87 113.62 108.95 2k3f n SER 89 Ca 0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 2k3f n SER 89 Cb 0.00 1.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 2k3f n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k3f n SER 90 N 2.54 1.51 -1.61 4.04 7.64 -1.26 -4.78 113.62 121.69 2k3f n SER 90 Ca 0.14 -1.93 -0.01 0.00 1.01 0.00 0.00 58.87 58.09 2k3f n SER 90 Cb 0.60 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2k3f n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k3f n GLU 91 N 0.16 -0.21 -3.50 1.43 -0.58 -1.26 -5.08 120.64 111.60 2k3f n GLU 91 Ca 0.00 0.64 -0.31 0.00 -0.42 0.00 0.00 57.16 57.07 2k3f n GLU 91 Cb 0.31 -1.84 -0.05 0.00 -0.57 0.00 0.00 31.44 29.29 2k3f n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k3f s PRO 92 N -1.10 3.72 0.22 3.49 0.04 -1.26 -5.09 135.00 135.01 2k3f s PRO 92 Ca 0.02 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 60.96 2k3f s PRO 92 Cb -0.01 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.88 2k3f s PRO 92 CO 0.07 0.36 0.93 -1.59 0.04 0.00 0.00 177.00 176.81 2k3f s LYS 93 N -2.83 1.47 0.07 4.56 -2.85 -1.26 -4.28 119.74 114.62 2k3f s LYS 93 Ca 0.45 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2k3f s LYS 93 Cb -0.11 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2k3f s LYS 93 CO 0.23 -0.68 0.00 -2.13 0.10 0.00 0.00 175.35 172.87 2k3f n ARG 94 N -0.55 0.00 0.10 1.78 3.00 -1.26 -3.25 116.66 116.47 2k3f n ARG 94 Ca -0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.91 2k3f n ARG 94 Cb 0.60 0.00 0.45 0.00 0.00 0.00 0.00 32.46 33.51 2k3f n ARG 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2k3f n LYS 95 N 0.00 0.16 -0.33 -0.14 0.00 -1.26 -4.98 118.16 111.62 2k3f n LYS 95 Ca 0.00 0.32 0.04 0.00 -0.00 0.00 0.00 58.31 58.68 2k3f n LYS 95 Cb 0.00 -1.77 -0.01 0.00 -0.00 0.00 0.00 35.03 33.24 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 -2.07 0.00 0.02 0.58 5.41 -1.20 -5.02 119.36 117.07 2k3f n ILE 96 Ca 0.03 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2k3f n ILE 96 Cb 0.27 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2k3f n ILE 96 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2k3f n VAL 97 N -2.41 0.00 -3.76 1.39 3.14 -1.02 -4.81 118.33 110.86 2k3f n VAL 97 Ca -0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.28 2k3f n VAL 97 Cb 0.15 -0.45 -0.03 0.00 -1.06 0.00 0.00 33.84 32.44 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 -4.72 -0.07 0.27 7.55 0.00 -1.25 -4.95 107.32 104.15 2k3f s GLY 98 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 2k3f s GLY 98 CO 0.00 -0.23 0.55 -1.59 0.00 0.00 0.00 173.10 171.84 2k3f s LYS 99 N -3.89 1.66 0.00 2.90 0.00 -1.26 -2.82 119.74 116.33 2k3f s LYS 99 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 55.97 54.85 2k3f s LYS 99 Cb -0.02 0.51 0.00 0.00 0.00 0.00 0.00 37.83 38.32 2k3f s LYS 99 CO -0.00 -0.72 0.00 1.33 0.00 0.00 0.00 175.35 175.96 2k3f n VAL 100 N -0.42 0.00 -3.69 1.79 0.24 -0.35 -4.58 118.33 111.32 2k3f n VAL 100 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 2k3f n VAL 100 Cb 0.61 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.25 0.01 0.34 3.34 -4.23 -1.26 0.12 115.64 113.72 2k3f s THR 101 Ca 0.00 -0.11 0.14 0.00 -1.18 0.00 0.00 61.69 60.54 2k3f s THR 101 Cb 0.00 -0.73 0.34 0.00 1.34 0.00 0.00 72.50 73.46 2k3f s THR 101 CO 0.00 -0.06 1.62 -0.09 -0.54 0.00 0.00 174.62 175.55 2k3f h ARG 102 N 4.62 0.15 -0.37 3.99 9.65 -1.80 0.24 114.38 130.86 2k3f h ARG 102 Ca -0.28 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2k3f h ARG 102 Cb 1.17 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2k3f h ARG 102 CO 0.27 0.10 0.24 -0.22 2.80 0.00 0.00 179.97 183.17 2k3f h LYS 103 N 0.16 0.50 -0.45 0.20 3.11 -1.88 -0.57 116.57 117.63 2k3f h LYS 103 Ca 0.74 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 58.48 2k3f h LYS 103 Cb 1.77 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.88 2k3f h LYS 103 CO -0.71 0.34 0.01 1.96 -2.81 0.00 0.00 179.45 178.24 2k3f h GLN 104 N 0.50 0.79 -0.95 1.90 1.08 -1.01 -0.37 115.11 117.04 2k3f h GLN 104 Ca 0.14 -0.24 0.11 0.00 -1.45 0.00 0.00 58.65 57.20 2k3f h GLN 104 Cb -0.05 -0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.18 2k3f h GLN 104 CO -0.03 0.84 -0.52 0.82 -0.95 0.00 0.00 178.83 178.99 2k3f h ILE 105 N 0.64 0.01 -0.60 2.54 1.08 -0.90 -2.20 117.51 118.07 2k3f h ILE 105 Ca 0.13 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.72 2k3f h ILE 105 Cb 0.48 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 34.12 2k3f h ILE 105 CO 0.02 0.00 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.23 2k3f h GLU 106 N -0.03 -0.02 0.32 2.37 4.81 0.50 0.39 114.58 122.92 2k3f h GLU 106 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2k3f h GLU 106 Cb 0.48 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2k3f h GLU 106 CO -0.93 -0.01 -0.43 0.93 -0.73 0.00 0.00 179.01 177.84 2k3f h GLU 107 N -0.02 -0.77 -0.39 1.92 4.39 -0.68 0.46 114.58 119.49 2k3f h GLU 107 Ca 0.28 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.12 2k3f h GLU 107 Cb 0.45 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 2k3f h GLU 107 CO -0.62 -0.52 -0.28 0.82 -1.16 0.00 0.00 179.01 177.25 2k3f h ILE 108 N -0.80 0.29 -1.05 3.13 1.08 -0.96 0.15 117.51 119.34 2k3f h ILE 108 Ca -0.02 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.72 2k3f h ILE 108 Cb 0.75 0.29 -0.10 0.00 -3.07 0.00 0.00 36.82 34.69 2k3f h ILE 108 CO -0.13 0.00 0.67 0.00 -0.69 0.00 0.00 178.15 178.00 2k3f h ALA 109 N 0.88 2.21 0.10 1.87 0.00 0.53 -2.28 119.26 122.57 2k3f h ALA 109 Ca 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2k3f h ALA 109 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k3f h ALA 109 CO -0.51 -0.63 -0.05 0.87 0.00 0.00 0.00 179.25 178.92 2k3f h LYS 110 N 0.40 -0.13 -0.25 0.00 1.57 0.19 -3.12 116.57 115.23 2k3f h LYS 110 Ca 0.61 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.47 2k3f h LYS 110 Cb 1.52 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 2k3f h LYS 110 CO -0.32 0.36 0.48 0.00 -0.57 0.00 0.00 179.45 179.40 2k3f h THR 111 N -0.89 0.17 0.00 -0.16 1.03 -0.21 0.71 112.91 113.56 2k3f h THR 111 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2k3f h THR 111 Cb 0.55 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.21 2k3f h THR 111 CO 0.02 0.00 -0.24 2.29 -0.01 0.00 0.00 175.52 177.59 2k3f n LYS 112 N -3.26 0.69 -0.28 0.00 2.85 -1.17 -4.72 118.16 112.27 2k3f n LYS 112 Ca 0.04 -1.74 0.06 0.00 -1.05 0.00 0.00 58.31 55.62 2k3f n LYS 112 Cb 0.60 -0.98 0.21 0.00 -0.65 0.00 0.00 35.03 34.20 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2k3f h MET 113 N 0.00 0.55 -0.72 -1.58 4.05 -0.78 -1.49 114.93 114.96 2k3f h MET 113 Ca 0.00 -0.03 0.21 0.00 -0.28 0.00 0.00 59.70 59.60 2k3f h MET 113 Cb 1.17 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 2k3f h MET 113 CO 0.00 0.37 0.53 -1.00 0.23 0.00 0.00 176.91 177.03 2k3f h PRO 114 N 0.57 0.00 0.07 0.39 0.13 -1.85 -2.34 132.00 128.97 2k3f h PRO 114 Ca 0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.24 2k3f h PRO 114 Cb 0.62 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 2k3f h PRO 114 CO -0.37 0.00 -1.81 -3.47 -0.23 0.00 0.00 178.00 172.12 2k3f n ASP 115 N -4.28 2.02 -3.74 1.44 2.03 -0.88 -5.01 116.55 108.13 2k3f n ASP 115 Ca 0.14 0.27 -0.30 0.00 0.52 0.00 0.00 54.79 55.42 2k3f n ASP 115 Cb 0.80 -0.87 0.25 0.00 -0.72 0.00 0.00 41.12 40.58 2k3f n ASP 115 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k3f s LEU 116 N -7.31 0.50 -0.31 -2.67 1.02 -0.61 -4.93 118.68 104.36 2k3f s LEU 116 Ca -0.26 0.62 0.03 0.00 0.02 0.00 0.00 54.13 54.55 2k3f s LEU 116 Cb 0.07 -2.31 0.48 0.00 0.02 0.00 0.00 46.19 44.46 2k3f s LEU 116 CO 0.69 -4.28 1.65 -0.46 0.02 0.00 0.00 176.35 173.96 2k3f n ASN 117 N -4.87 3.58 -4.56 2.29 6.94 -1.26 -4.88 115.26 112.49 2k3f n ASN 117 Ca 0.14 -3.13 -0.34 0.00 -0.02 0.00 0.00 54.58 51.23 2k3f n ASN 117 Cb 0.60 -0.74 -0.04 0.00 -2.36 0.00 0.00 39.78 37.24 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k3f s ALA 118 N -2.35 2.16 0.38 -2.53 0.00 -1.26 -4.74 121.76 113.41 2k3f s ALA 118 Ca 0.41 -1.64 0.16 0.00 0.00 0.00 0.00 51.96 50.89 2k3f s ALA 118 Cb 0.34 -4.49 0.93 0.00 0.00 0.00 0.00 23.12 19.90 2k3f s ALA 118 CO 0.08 -4.19 1.91 -2.95 0.00 0.00 0.00 175.76 170.61 2k3f h ASN 119 N 11.14 0.00 -4.01 0.00 -1.07 -1.96 -3.43 115.58 116.25 2k3f h ASN 119 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.32 2k3f h ASN 119 Cb 1.03 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.05 2k3f h ASN 119 CO 1.29 0.27 -0.17 -0.55 0.07 0.00 0.00 177.43 178.35 2k3f s SER 120 N -6.77 -0.47 0.47 6.14 0.15 -1.26 -5.06 113.70 106.90 2k3f s SER 120 Ca -0.03 0.88 0.22 0.00 0.70 0.00 0.00 55.95 57.72 2k3f s SER 120 Cb 0.14 0.90 1.23 0.00 -1.71 0.00 0.00 66.02 66.58 2k3f s SER 120 CO 0.69 -0.19 1.91 0.25 1.20 0.00 0.00 173.24 177.10 2k3f h LEU 121 N 5.24 0.22 -1.41 3.45 5.85 -1.96 0.40 115.31 127.10 2k3f h LEU 121 Ca -0.27 0.02 0.24 0.00 0.84 0.00 0.00 57.88 58.71 2k3f h LEU 121 Cb 1.18 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 2k3f h LEU 121 CO 0.23 0.10 0.65 -0.08 -0.34 0.00 0.00 178.44 179.00 2k3f h GLU 122 N 0.23 0.40 0.04 1.25 4.57 -1.98 0.44 114.58 119.52 2k3f h GLU 122 Ca 0.38 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2k3f h GLU 122 Cb 1.16 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2k3f h GLU 122 CO -0.08 0.27 -0.02 0.00 -1.18 0.00 0.00 179.01 177.99 2k3f h ALA 123 N 1.61 -0.05 -0.20 2.92 0.00 -0.59 -2.74 119.26 120.21 2k3f h ALA 123 Ca 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k3f h ALA 123 Cb 1.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2k3f h ALA 123 CO -0.25 -0.33 0.12 0.00 0.00 0.00 0.00 179.25 178.79 2k3f h ALA 124 N 0.51 1.84 -0.72 0.00 0.00 -0.92 -0.25 119.26 119.72 2k3f h ALA 124 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2k3f h ALA 124 Cb 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2k3f h ALA 124 CO 0.01 0.14 0.47 0.52 0.00 0.00 0.00 179.25 180.40 2k3f h MET 125 N 0.27 0.77 0.33 0.00 2.07 -0.11 -1.88 114.93 116.38 2k3f h MET 125 Ca 0.07 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.64 2k3f h MET 125 Cb -0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.55 2k3f h MET 125 CO -0.01 0.51 -0.16 0.87 1.07 0.00 0.00 176.91 179.19 2k3f h LYS 126 N 0.79 -0.42 0.03 1.72 1.79 -0.74 -0.69 116.57 119.04 2k3f h LYS 126 Ca 0.30 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.83 2k3f h LYS 126 Cb 0.19 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 2k3f h LYS 126 CO -0.10 -0.16 -0.44 0.97 -1.08 0.00 0.00 179.45 178.65 2k3f h ILE 127 N -0.65 0.13 -0.21 1.86 -0.00 -1.20 -0.05 117.51 117.40 2k3f h ILE 127 Ca -0.04 0.00 0.06 0.00 -0.00 0.00 0.00 64.86 64.87 2k3f h ILE 127 Cb 0.46 0.13 -0.07 0.00 -0.00 0.00 0.00 36.82 37.34 2k3f h ILE 127 CO 0.07 0.00 -0.28 0.40 -0.00 0.00 0.00 178.15 178.34 2k3f h ILE 128 N -0.61 0.33 -0.93 2.19 1.08 -1.38 0.53 117.51 118.72 2k3f h ILE 128 Ca 0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 2k3f h ILE 128 Cb 0.67 0.33 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 2k3f h ILE 128 CO -0.31 0.00 0.57 -0.33 -0.69 0.00 0.00 178.15 177.39 2k3f h GLU 129 N -0.31 0.89 -0.12 2.37 5.08 -0.89 0.55 114.58 122.14 2k3f h GLU 129 Ca 0.12 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2k3f h GLU 129 Cb 0.50 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k3f h GLU 129 CO -0.38 0.59 -0.12 0.78 -1.00 0.00 0.00 179.01 178.87 2k3f h GLY 130 N 0.92 0.33 -0.32 -3.84 0.00 0.32 0.32 103.07 100.80 2k3f h GLY 130 Ca 0.46 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2k3f h GLY 130 CO -0.26 0.31 -0.33 -0.84 0.00 0.00 0.00 176.54 175.41 2k3f h THR 131 N -0.09 0.00 -0.58 4.70 2.02 0.56 -0.29 112.91 119.24 2k3f h THR 131 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 2k3f h THR 131 Cb 0.65 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.95 2k3f h THR 131 CO 0.03 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.76 2k3f h ALA 132 N -0.46 0.35 -0.42 6.16 0.00 0.21 -1.86 119.26 123.24 2k3f h ALA 132 Ca 0.05 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2k3f h ALA 132 Cb 0.33 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 2k3f h ALA 132 CO -0.39 -0.45 -0.25 -0.22 0.00 0.00 0.00 179.25 177.93 2k3f h LYS 133 N -0.02 -0.17 -0.23 0.00 3.64 0.14 -0.71 116.57 119.23 2k3f h LYS 133 Ca 0.28 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2k3f h LYS 133 Cb 0.44 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2k3f h LYS 133 CO -0.61 -0.11 -0.07 1.03 -2.27 0.00 0.00 179.45 177.42 2k3f h SER 134 N -0.18 0.33 -0.14 4.20 0.87 -0.34 -2.92 113.55 115.37 2k3f h SER 134 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k3f h SER 134 Cb 0.48 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2k3f h SER 134 CO -0.52 0.45 0.00 0.23 -0.53 0.00 0.00 176.83 176.46 2k3f n MET 135 N -4.28 1.37 -1.02 2.24 2.81 -0.42 -4.86 117.12 112.96 2k3f n MET 135 Ca 0.00 -0.57 -0.01 0.00 -1.81 0.00 0.00 57.70 55.32 2k3f n MET 135 Cb 0.25 -1.20 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.83 0.47 3.62 3.03 0.00 -1.08 -4.77 105.19 107.29 2k3f n GLY 136 Ca 0.09 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 0.39 -0.61 1.01 -0.41 -2.44 121.20 122.41 2k3f s ILE 137 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2k3f s ILE 137 Cb 0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2k3f s ILE 137 CO 0.00 0.31 0.70 -1.83 0.00 0.00 0.00 174.94 174.12 2k3f s GLU 138 N 1.37 3.67 -0.19 2.79 -1.05 -1.13 -3.64 118.70 120.52 2k3f s GLU 138 Ca 0.07 0.24 -0.01 0.00 -0.15 0.00 0.00 54.97 55.12 2k3f s GLU 138 Cb -0.15 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 2k3f s GLU 138 CO 0.07 0.00 -0.12 0.14 0.95 0.00 0.00 175.26 176.31 2k3f s VAL 139 N -2.38 2.80 0.06 1.83 -7.23 -1.26 -1.21 120.40 113.01 2k3f s VAL 139 Ca 0.48 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.97 2k3f s VAL 139 Cb -0.10 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2k3f s VAL 139 CO 0.34 0.48 0.08 0.68 -0.31 0.00 0.00 175.10 176.37 2k3f s VAL 140 N 1.27 4.58 -2.00 1.32 -7.23 0.31 -4.84 120.40 113.81 2k3f s VAL 140 Ca 0.03 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.61 2k3f s VAL 140 Cb -0.14 -3.18 0.24 0.00 0.56 0.00 0.00 36.38 33.86 2k3f s VAL 140 CO -0.06 0.18 0.96 -0.67 -0.31 0.00 0.00 175.10 175.20