#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3f s ALA 2 N 0.00 2.83 -0.14 3.04 0.00 -1.26 -5.08 121.76 121.15 2k3f s ALA 2 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 2k3f s ALA 2 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2k3f s ALA 2 CO 0.00 0.47 1.59 -1.59 0.00 0.00 0.00 175.76 176.23 2k3f s LYS 3 N -2.73 4.01 -0.09 0.00 -2.85 -1.26 -4.99 119.74 111.83 2k3f s LYS 3 Ca 0.23 1.89 -0.08 0.00 -1.00 0.00 0.00 55.97 57.02 2k3f s LYS 3 Cb -0.09 -3.98 -0.04 0.00 -2.06 0.00 0.00 37.83 31.66 2k3f s LYS 3 CO 0.14 -1.03 0.18 0.21 0.10 0.00 0.00 175.35 174.94 2k3f s LYS 4 N 4.27 3.50 0.20 1.78 2.47 -1.26 -4.93 119.74 125.77 2k3f s LYS 4 Ca 0.70 -0.07 -0.32 0.00 -1.56 0.00 0.00 55.97 54.72 2k3f s LYS 4 Cb -0.28 -3.18 -0.11 0.00 -1.46 0.00 0.00 37.83 32.79 2k3f s LYS 4 CO 0.27 0.76 1.68 0.08 0.16 0.00 0.00 175.35 178.30 2k3f s VAL 5 N -1.07 2.19 -0.19 4.02 1.01 -1.26 0.42 120.40 125.52 2k3f s VAL 5 Ca 0.17 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2k3f s VAL 5 Cb -0.13 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 2k3f s VAL 5 CO 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 175.10 175.01 2k3f n ALA 6 N 3.94 1.60 -3.24 5.51 0.00 0.35 -4.63 120.51 124.05 2k3f n ALA 6 Ca 0.15 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2k3f n ALA 6 Cb 0.36 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.21 -0.04 0.00 0.00 -0.35 -5.00 121.76 112.78 2k3f s ALA 7 Ca -0.25 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 2k3f s ALA 7 Cb 0.07 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 2k3f s ALA 7 CO 0.43 -0.52 0.44 -0.65 0.00 0.00 0.00 175.76 175.46 2k3f s GLN 8 N -2.65 4.10 -0.65 0.00 -1.52 -1.26 -0.64 119.66 117.03 2k3f s GLN 8 Ca -0.04 0.44 0.05 0.00 -1.95 0.00 0.00 55.36 53.85 2k3f s GLN 8 Cb -0.00 -3.30 0.17 0.00 -0.22 0.00 0.00 33.01 29.66 2k3f s GLN 8 CO -0.03 0.49 0.48 -0.89 -0.25 0.00 0.00 175.29 175.09 2k3f n ILE 9 N 2.50 1.17 -2.75 1.08 2.08 0.18 -4.94 119.36 118.67 2k3f n ILE 9 Ca -0.11 -4.63 -0.42 0.00 0.56 0.00 0.00 62.75 58.14 2k3f n ILE 9 Cb 0.52 -2.09 -0.03 0.00 -0.75 0.00 0.00 39.64 37.29 2k3f n ILE 9 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2k3f s LYS 10 N -1.25 4.40 -0.25 0.38 1.02 -1.26 -1.06 119.74 121.71 2k3f s LYS 10 Ca 0.27 1.28 -0.16 0.00 0.02 0.00 0.00 55.97 57.39 2k3f s LYS 10 Cb -0.02 -3.54 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 2k3f s LYS 10 CO -0.17 -0.28 0.63 -1.17 -0.92 0.00 0.00 175.35 173.44 2k3f s LEU 11 N 1.91 -0.73 -0.32 3.17 2.96 -0.70 -4.96 118.68 120.01 2k3f s LEU 11 Ca 0.46 1.37 -0.26 0.00 -0.22 0.00 0.00 54.13 55.49 2k3f s LEU 11 Cb -0.18 2.17 0.01 0.00 0.50 0.00 0.00 46.19 48.69 2k3f s LEU 11 CO 0.17 -0.23 0.90 -1.10 -1.32 0.00 0.00 176.35 174.78 2k3f s GLN 12 N 1.42 3.98 -0.00 1.98 -0.21 -1.26 -2.65 119.66 122.92 2k3f s GLN 12 Ca -0.09 0.75 0.01 0.00 0.02 0.00 0.00 55.36 56.06 2k3f s GLN 12 Cb -0.06 -3.74 -0.00 0.00 1.00 0.00 0.00 33.01 30.21 2k3f s GLN 12 CO -0.16 -0.79 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.66 2k3f s LEU 13 N 3.26 2.03 0.21 2.90 1.43 -0.92 -4.85 118.68 122.74 2k3f s LEU 13 Ca 0.38 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 2k3f s LEU 13 Cb -0.13 -0.22 -0.11 0.00 0.03 0.00 0.00 46.19 45.77 2k3f s LEU 13 CO 0.14 0.03 1.57 -2.84 0.23 0.00 0.00 176.35 175.48 2k3f s PRO 14 N -0.21 4.20 0.05 1.29 0.02 -1.17 0.81 135.00 140.00 2k3f s PRO 14 Ca 0.01 2.42 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 2k3f s PRO 14 Cb -0.02 -3.11 -0.12 0.00 0.02 0.00 0.00 34.50 31.27 2k3f s PRO 14 CO -0.00 -0.59 1.79 0.00 -0.33 0.00 0.00 177.00 177.86 2k3f n ALA 15 N 3.32 1.43 -0.97 -1.55 0.00 0.34 -0.80 120.51 122.28 2k3f n ALA 15 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2k3f n ALA 15 Cb 0.38 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 4.08 0.49 2.60 0.00 0.00 -1.26 -3.38 105.19 107.72 2k3f n GLY 16 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2k3f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3f s LYS 17 N -0.40 0.31 -0.29 1.61 -0.14 0.02 -5.02 119.74 115.83 2k3f s LYS 17 Ca 0.00 -0.56 -0.21 0.00 -1.36 0.00 0.00 55.97 53.84 2k3f s LYS 17 Cb 0.00 -1.01 0.15 0.00 -1.68 0.00 0.00 37.83 35.29 2k3f s LYS 17 CO 0.00 -1.06 1.11 0.00 -0.76 0.00 0.00 175.35 174.64 2k3f s ALA 18 N 1.98 -2.18 0.00 5.17 0.00 -1.26 -3.37 121.76 122.10 2k3f s ALA 18 Ca 0.11 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2k3f s ALA 18 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2k3f s ALA 18 CO -0.28 -0.25 0.00 -2.37 0.00 0.00 0.00 175.76 172.85 2k3f n THR 19 N 2.66 0.00 -0.01 0.00 5.66 -1.26 -4.68 114.28 116.65 2k3f n THR 19 Ca -0.14 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.83 2k3f n THR 19 Cb 0.57 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.34 2k3f n THR 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k3f n PRO 20 N -1.33 0.05 -1.17 1.09 -0.04 -1.26 -4.66 135.00 127.69 2k3f n PRO 20 Ca 0.00 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 2k3f n PRO 20 Cb 0.00 -0.74 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 2k3f n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3f n ALA 21 N -2.92 -2.56 -0.31 0.55 0.00 -1.26 -2.74 120.51 111.28 2k3f n ALA 21 Ca -0.04 -0.32 0.27 0.00 0.00 0.00 0.00 53.44 53.35 2k3f n ALA 21 Cb 0.54 -1.65 0.51 0.00 0.00 0.00 0.00 19.45 18.84 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 0.10 -0.06 -0.35 0.00 -0.02 -1.26 0.61 135.00 134.03 2k3f n PRO 22 Ca 0.07 1.33 -0.03 0.00 -2.02 0.00 0.00 63.50 62.85 2k3f n PRO 22 Cb 0.51 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.04 0.00 0.52 0.10 -1.96 -3.31 132.00 127.30 2k3f h PRO 23 Ca 0.76 0.00 -0.10 0.00 0.10 0.00 0.00 66.00 66.76 2k3f h PRO 23 Cb 1.96 0.01 -0.02 0.00 0.10 0.00 0.00 31.00 33.06 2k3f h PRO 23 CO -0.76 -0.03 -0.82 0.28 0.10 0.00 0.00 178.00 176.77 2k3f h VAL 24 N -0.04 0.41 0.00 3.15 2.07 -0.07 -3.31 116.25 118.46 2k3f h VAL 24 Ca 0.30 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2k3f h VAL 24 Cb 0.57 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k3f h VAL 24 CO -0.92 0.14 0.00 0.61 0.02 0.00 0.00 177.57 177.42 2k3f n GLY 25 N 1.54 -3.12 0.28 2.17 0.00 -0.08 -0.87 105.19 105.11 2k3f n GLY 25 Ca -0.18 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 0.42 0.00 1.61 0.11 -1.81 0.31 132.00 132.64 2k3f h PRO 26 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k3f h PRO 26 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2k3f h PRO 26 CO 0.00 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 2k3f n ALA 27 N -2.52 -0.10 -0.08 -0.75 0.00 -0.80 -1.72 120.51 114.54 2k3f n ALA 27 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2k3f n ALA 27 Cb 0.42 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 0.58 -0.56 0.00 3.38 -1.05 -3.27 115.31 114.39 2k3f h LEU 28 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k3f h LEU 28 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2k3f h LEU 28 CO 0.00 0.91 0.35 1.23 0.09 0.00 0.00 178.44 181.02 2k3f h GLY 29 N 0.25 0.79 2.00 0.83 0.00 -0.45 0.11 103.07 106.61 2k3f h GLY 29 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2k3f h GLY 29 CO 0.05 0.31 -0.06 -1.61 0.00 0.00 0.00 176.54 175.23 2k3f h GLN 30 N 0.75 0.00 -0.64 4.80 4.15 -1.43 -0.05 115.11 122.69 2k3f h GLN 30 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2k3f h GLN 30 Cb -0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.64 2k3f h GLN 30 CO -0.04 0.06 0.00 0.72 -1.93 0.00 0.00 178.83 177.64 2k3f n HIS 31 N -3.81 1.31 -1.03 3.99 8.25 -0.20 -4.92 115.22 118.82 2k3f n HIS 31 Ca -0.03 -0.59 -0.01 0.00 -0.26 0.00 0.00 57.72 56.83 2k3f n HIS 31 Cb 0.15 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 1.16 0.49 3.78 -1.41 0.00 -0.03 -4.94 105.19 104.23 2k3f n GLY 32 Ca 0.25 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.91 4.27 -0.87 1.61 1.01 0.21 -4.89 120.40 119.83 2k3f s VAL 33 Ca 0.00 1.78 -0.25 0.00 0.00 0.00 0.00 61.98 63.51 2k3f s VAL 33 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2k3f s VAL 33 CO 0.00 0.32 2.06 0.20 0.00 0.00 0.00 175.10 177.69 2k3f s ASN 34 N -1.42 4.82 0.29 3.32 0.01 -1.26 -4.22 114.94 116.48 2k3f s ASN 34 Ca 0.44 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 2k3f s ASN 34 Cb -0.21 -2.56 0.55 0.00 0.41 0.00 0.00 41.25 39.44 2k3f s ASN 34 CO 0.26 -3.03 1.85 0.40 -1.51 0.00 0.00 177.10 175.07 2k3f h ILE 35 N 7.36 0.95 0.05 0.60 2.04 -1.92 0.48 117.51 127.08 2k3f h ILE 35 Ca 0.06 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2k3f h ILE 35 Cb 1.01 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2k3f h ILE 35 CO 1.16 0.18 -0.02 0.24 0.00 0.00 0.00 178.15 179.71 2k3f h MET 36 N 1.01 -0.06 -0.21 2.37 2.86 -1.86 0.82 114.93 119.84 2k3f h MET 36 Ca 0.48 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 2k3f h MET 36 Cb 0.43 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2k3f h MET 36 CO -0.24 0.17 -0.06 1.49 1.06 0.00 0.00 176.91 179.34 2k3f h GLU 37 N -0.29 -0.01 0.18 1.72 4.81 -1.79 0.37 114.58 119.57 2k3f h GLU 37 Ca -0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2k3f h GLU 37 Cb 0.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2k3f h GLU 37 CO 0.01 -0.00 -0.28 0.35 -0.73 0.00 0.00 179.01 178.36 2k3f h PHE 38 N -0.01 -0.76 -0.35 0.92 3.57 0.12 0.11 116.94 120.54 2k3f h PHE 38 Ca 0.10 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2k3f h PHE 38 Cb 0.16 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2k3f h PHE 38 CO -0.23 -0.39 0.08 0.00 -2.23 0.00 0.00 178.31 175.54 2k3f h LYS 40 N 0.21 0.00 0.13 0.00 1.79 -0.11 0.08 116.57 118.67 2k3f h LYS 40 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2k3f h LYS 40 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2k3f h LYS 40 CO -0.20 0.09 -0.06 0.00 -1.08 0.00 0.00 179.45 178.20 2k3f h ARG 41 N 0.00 -0.17 -0.45 3.15 3.08 0.13 -3.14 114.38 116.97 2k3f h ARG 41 Ca -0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2k3f h ARG 41 Cb 0.45 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2k3f h ARG 41 CO 0.01 -0.12 0.14 0.35 -1.07 0.00 0.00 179.97 179.28 2k3f h PHE 42 N -0.67 0.24 -0.16 3.04 3.57 0.74 0.39 116.94 124.09 2k3f h PHE 42 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k3f h PHE 42 Cb 0.14 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2k3f h PHE 42 CO 0.02 0.07 0.09 -0.91 -2.23 0.00 0.00 178.31 175.35 2k3f h ASN 43 N 0.30 0.19 -0.88 0.41 -0.26 -1.17 0.30 115.58 114.47 2k3f h ASN 43 Ca 0.22 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2k3f h ASN 43 Cb 0.24 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 2k3f h ASN 43 CO -0.24 0.19 0.46 0.00 -1.06 0.00 0.00 177.43 176.79 2k3f h ALA 44 N 1.01 1.15 -0.55 -0.83 0.00 -1.31 -1.81 119.26 116.93 2k3f h ALA 44 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2k3f h ALA 44 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2k3f h ALA 44 CO -0.01 0.67 -0.06 0.93 0.00 0.00 0.00 179.25 180.78 2k3f h GLU 45 N 1.25 0.99 0.00 0.00 4.39 -0.27 -3.29 114.58 117.65 2k3f h GLU 45 Ca 0.31 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k3f h GLU 45 Cb 0.06 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k3f h GLU 45 CO -0.05 1.01 -0.69 0.25 -1.16 0.00 0.00 179.01 178.37 2k3f n THR 46 N -4.16 0.04 -0.31 1.13 -2.24 0.99 -4.43 114.28 105.30 2k3f n THR 46 Ca 0.02 -0.05 0.19 0.00 -2.27 0.00 0.00 64.05 61.94 2k3f n THR 46 Cb 0.37 0.38 0.45 0.00 -2.10 0.00 0.00 70.33 69.42 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 2.90 2.04 -0.02 6.98 0.00 -1.41 0.75 119.26 130.51 2k3f h ALA 47 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2k3f h ALA 47 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k3f h ALA 47 CO 0.00 -0.40 -0.90 -0.44 0.00 0.00 0.00 179.25 177.51 2k3f h ASP 48 N 0.52 0.56 -1.34 0.00 3.32 -1.85 -3.19 116.42 114.44 2k3f h ASP 48 Ca 0.56 -0.43 -0.58 0.00 0.02 0.00 0.00 57.03 56.60 2k3f h ASP 48 Cb 1.21 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 2k3f h ASP 48 CO -0.29 1.22 0.62 0.29 -1.72 0.00 0.00 179.24 179.35 2k3f n LYS 49 N -3.77 2.50 0.00 3.56 4.01 0.25 -4.99 118.16 119.72 2k3f n LYS 49 Ca -0.06 -2.72 0.00 0.00 -0.51 0.00 0.00 58.31 55.02 2k3f n LYS 49 Cb 0.81 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 2k3f n LYS 49 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k3f n ALA 50 N 0.35 0.00 -3.82 7.82 0.00 -1.18 -4.43 120.51 119.26 2k3f n ALA 50 Ca 0.50 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 2k3f n ALA 50 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 2k3f n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k3f s GLY 51 N 0.00 2.43 -0.02 0.00 0.00 -1.24 -4.06 107.32 104.44 2k3f s GLY 51 Ca 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 44.72 41.35 2k3f s GLY 51 CO 0.00 1.27 0.01 1.06 0.00 0.00 0.00 173.10 175.44 2k3f s MET 52 N -0.76 0.10 -0.76 2.90 1.00 -1.22 -4.68 119.30 115.88 2k3f s MET 52 Ca 0.23 0.12 -0.25 0.00 0.00 0.00 0.00 55.69 55.79 2k3f s MET 52 Cb -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 34.83 34.36 2k3f s MET 52 CO -0.11 -0.13 2.01 0.42 0.00 0.00 0.00 175.02 177.20 2k3f s ILE 53 N 0.92 3.33 -0.06 2.53 1.01 -1.25 0.13 121.20 127.81 2k3f s ILE 53 Ca -0.08 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 2k3f s ILE 53 Cb -0.12 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2k3f s ILE 53 CO -0.02 -0.76 0.85 -0.76 0.00 0.00 0.00 174.94 174.25 2k3f s LEU 54 N 10.43 4.31 -0.61 2.97 1.43 0.24 -4.70 118.68 132.74 2k3f s LEU 54 Ca 0.74 1.38 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 2k3f s LEU 54 Cb -0.10 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 2k3f s LEU 54 CO 0.10 -0.24 2.15 -2.84 0.23 0.00 0.00 176.35 175.75 2k3f s PRO 55 N 1.20 2.29 0.17 1.29 0.02 -1.26 -2.15 135.00 136.57 2k3f s PRO 55 Ca 0.44 0.84 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 2k3f s PRO 55 Cb -0.19 -4.57 -0.04 0.00 0.02 0.00 0.00 34.50 29.72 2k3f s PRO 55 CO 0.21 -3.20 0.36 0.54 -0.33 0.00 0.00 177.00 174.57 2k3f s VAL 56 N 11.05 5.24 -0.15 3.83 0.11 -1.08 -1.74 120.40 137.66 2k3f s VAL 56 Ca 0.82 -0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 59.48 2k3f s VAL 56 Cb -0.14 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2k3f s VAL 56 CO 0.19 -0.11 0.01 -0.69 -3.33 0.00 0.00 175.10 171.18 2k3f s VAL 57 N -1.80 0.54 -0.11 2.04 1.01 0.74 -1.72 120.40 121.10 2k3f s VAL 57 Ca 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2k3f s VAL 57 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2k3f s VAL 57 CO 0.28 -0.00 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 2k3f s ILE 58 N 1.87 4.34 -0.41 2.22 1.01 -0.23 -0.31 121.20 129.70 2k3f s ILE 58 Ca 0.01 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2k3f s ILE 58 Cb -0.15 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.58 2k3f s ILE 58 CO -0.07 0.57 0.15 -0.89 0.00 0.00 0.00 174.94 174.70 2k3f s THR 59 N -0.58 2.21 0.07 2.92 2.01 0.30 0.49 115.64 123.05 2k3f s THR 59 Ca 0.10 -2.65 -0.23 0.00 0.31 0.00 0.00 61.69 59.22 2k3f s THR 59 Cb -0.12 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.74 2k3f s THR 59 CO 0.02 -0.70 0.68 0.54 -0.69 0.00 0.00 174.62 174.47 2k3f s VAL 60 N 0.48 4.69 0.54 3.82 0.11 0.18 -2.44 120.40 127.78 2k3f s VAL 60 Ca 0.14 1.46 0.04 0.00 -2.93 0.00 0.00 61.98 60.69 2k3f s VAL 60 Cb -0.22 -4.03 0.05 0.00 -1.53 0.00 0.00 36.38 30.65 2k3f s VAL 60 CO -0.06 0.46 0.74 -0.31 -3.33 0.00 0.00 175.10 172.60 2k3f s TYR 61 N -0.58 2.42 0.57 1.54 2.02 0.15 0.13 117.35 123.61 2k3f s TYR 61 Ca 0.34 -0.29 0.28 0.00 -0.37 0.00 0.00 57.07 57.03 2k3f s TYR 61 Cb -0.20 -2.58 1.49 0.00 -0.40 0.00 0.00 41.96 40.27 2k3f s TYR 61 CO 0.21 -0.90 1.97 0.93 -1.57 0.00 0.00 175.55 176.19 2k3f h GLU 62 N 0.18 0.00 0.00 -0.62 5.08 -0.29 -0.72 114.58 118.21 2k3f h GLU 62 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 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 0.46 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.22 2k3f n ASP 63 N -3.95 0.13 0.00 1.42 9.92 -1.26 -4.80 116.55 118.00 2k3f n ASP 63 Ca 0.08 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 2k3f n ASP 63 Cb 0.60 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 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 -1.23 -1.24 5.02 -0.27 -5.05 118.16 113.76 2k3f n LYS 64 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2k3f n LYS 64 Cb 0.31 -2.07 0.18 0.00 -0.02 0.00 0.00 35.03 33.43 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k3f s SER 65 N -3.01 2.55 0.12 4.39 0.01 -1.25 -4.39 113.70 112.12 2k3f s SER 65 Ca 0.00 1.06 -0.13 0.00 1.31 0.00 0.00 55.95 58.19 2k3f s SER 65 Cb 0.00 -1.66 0.05 0.00 0.21 0.00 0.00 66.02 64.61 2k3f s SER 65 CO 0.00 -3.16 0.64 2.22 0.41 0.00 0.00 173.24 173.35 2k3f n PHE 66 N -4.18 -1.07 -3.89 2.43 -1.74 -1.26 0.35 117.46 108.10 2k3f n PHE 66 Ca 0.06 -0.79 -0.08 0.00 -0.56 0.00 0.00 57.45 56.08 2k3f n PHE 66 Cb 0.58 0.39 -0.02 0.00 1.52 0.00 0.00 39.48 41.95 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 -2.26 0.00 0.04 1.97 -4.23 -1.02 -4.94 115.64 105.21 2k3f s THR 67 Ca 0.14 -1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 59.27 2k3f s THR 67 Cb -0.02 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.69 2k3f s THR 67 CO 0.03 0.00 0.69 0.72 -0.54 0.00 0.00 174.62 175.52 2k3f s PHE 68 N -3.65 -0.55 0.28 3.99 -0.71 -1.26 -0.54 117.98 115.53 2k3f s PHE 68 Ca 0.15 0.63 0.04 0.00 -1.04 0.00 0.00 56.93 56.72 2k3f s PHE 68 Cb -0.04 0.49 -0.06 0.00 -1.21 0.00 0.00 43.02 42.20 2k3f s PHE 68 CO 0.09 -0.69 0.00 0.96 -1.34 0.00 0.00 175.22 174.24 2k3f s ILE 69 N -2.55 1.26 -0.07 -4.49 -4.36 0.58 -4.94 121.20 106.63 2k3f s ILE 69 Ca -0.03 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2k3f s ILE 69 Cb -0.01 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.20 2k3f s ILE 69 CO -0.03 -0.20 0.04 -0.63 0.24 0.00 0.00 174.94 174.36 2k3f s ILE 70 N -3.26 0.10 -1.43 8.37 1.01 -1.26 -0.18 121.20 124.54 2k3f s ILE 70 Ca 0.32 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.09 2k3f s ILE 70 Cb 0.06 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.24 2k3f s ILE 70 CO 0.12 0.17 2.27 0.29 0.00 0.00 0.00 174.94 177.79 2k3f n LYS 71 N 5.23 3.35 -0.04 2.79 4.01 -0.71 -4.89 118.16 127.89 2k3f n LYS 71 Ca -0.05 -2.86 -0.01 0.00 -0.51 0.00 0.00 58.31 54.88 2k3f n LYS 71 Cb 0.50 -3.05 -0.01 0.00 -0.51 0.00 0.00 35.03 31.96 2k3f n LYS 71 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2k3f n THR 72 N 4.08 0.00 -1.37 -0.18 -1.04 -1.26 -4.45 114.28 110.06 2k3f n THR 72 Ca 0.54 -0.01 -0.53 0.00 -2.04 0.00 0.00 64.05 62.01 2k3f n THR 72 Cb 0.34 -0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 68.77 2k3f n THR 72 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2k3f n PRO 73 N 0.22 0.00 -1.42 -2.82 -0.01 -1.26 -4.53 135.00 125.18 2k3f n PRO 73 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 63.50 63.37 2k3f n PRO 73 Cb 0.00 -1.25 -0.12 0.00 -0.01 0.00 0.00 33.50 32.12 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 2.44 0.16 0.00 0.52 -0.02 -1.26 -3.84 135.00 132.99 2k3f n PRO 74 Ca 0.22 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2k3f n PRO 74 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 10.87 0.00 -0.17 3.55 0.00 -1.26 -4.73 120.51 128.76 2k3f n ALA 75 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 2k3f n ALA 75 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 2k3f n ALA 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k3f n SER 76 N 1.86 -0.43 -0.05 0.00 3.41 -1.25 0.43 113.62 117.59 2k3f n SER 76 Ca 0.00 1.19 -0.16 0.00 -0.26 0.00 0.00 58.87 59.64 2k3f n SER 76 Cb 0.00 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 2k3f n SER 76 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2k3f h PHE 77 N 0.00 1.02 -0.03 7.33 0.04 -1.85 -0.91 116.94 122.54 2k3f h PHE 77 Ca 0.07 -0.41 -0.09 0.00 2.80 0.00 0.00 57.97 60.34 2k3f h PHE 77 Cb 0.17 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2k3f h PHE 77 CO -0.85 1.23 -0.40 -0.07 -0.60 0.00 0.00 178.31 177.61 2k3f h LEU 78 N 0.53 0.06 -1.11 1.54 -0.00 -1.71 -1.65 115.31 112.97 2k3f h LEU 78 Ca -0.02 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.78 2k3f h LEU 78 Cb 1.23 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 2k3f h LEU 78 CO 0.13 0.46 -0.30 -0.07 -0.00 0.00 0.00 178.44 178.67 2k3f h LEU 79 N 0.05 0.00 -0.34 1.67 3.38 0.25 -2.76 115.31 117.56 2k3f h LEU 79 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2k3f h LEU 79 Cb 0.74 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2k3f h LEU 79 CO 0.06 0.30 -0.02 0.11 0.09 0.00 0.00 178.44 178.97 2k3f h LYS 80 N 0.00 0.07 -0.55 1.13 1.79 -0.16 0.51 116.57 119.36 2k3f h LYS 80 Ca -0.00 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2k3f h LYS 80 Cb 0.77 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 2k3f h LYS 80 CO 0.04 0.04 0.32 0.87 -1.08 0.00 0.00 179.45 179.64 2k3f h LYS 81 N 0.07 0.61 0.40 3.15 1.57 -1.47 0.18 116.57 121.09 2k3f h LYS 81 Ca 0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2k3f h LYS 81 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2k3f h LYS 81 CO -0.30 0.40 -0.19 0.00 -0.57 0.00 0.00 179.45 178.79 2k3f h ALA 82 N 1.25 -0.54 -0.24 3.86 0.00 -1.28 -3.25 119.26 119.07 2k3f h ALA 82 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k3f h ALA 82 Cb 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k3f h ALA 82 CO -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 179.25 178.43 2k3f h ALA 83 N -0.39 1.47 0.00 0.00 0.00 0.04 -3.46 119.26 116.92 2k3f h ALA 83 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k3f h ALA 83 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k3f h ALA 83 CO 0.09 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2k3f n GLY 84 N -0.92 1.87 3.55 0.00 0.00 0.63 -3.84 105.19 106.46 2k3f n GLY 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.79 -0.05 -3.64 -0.61 -5.35 -1.08 -4.81 119.36 102.03 2k3f n ILE 85 Ca 0.00 -0.64 -0.05 0.00 -0.27 0.00 0.00 62.75 61.79 2k3f n ILE 85 Cb 0.00 -2.26 -0.07 0.00 -1.74 0.00 0.00 39.64 35.57 2k3f n ILE 85 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2k3f s GLU 86 N 8.48 0.51 0.00 6.28 2.56 -1.26 -4.49 118.70 130.78 2k3f s GLU 86 Ca 1.02 0.84 0.00 0.00 0.00 0.00 0.00 54.97 56.83 2k3f s GLU 86 Cb -0.30 0.12 0.00 0.00 2.00 0.00 0.00 34.13 35.95 2k3f s GLU 86 CO 0.25 -0.10 0.00 1.17 -0.56 0.00 0.00 175.26 176.02 2k3f n LYS 87 N 3.71 0.00 0.00 4.30 4.81 -1.26 -3.86 118.16 125.86 2k3f n LYS 87 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2k3f n LYS 87 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3f n GLY 88 N 0.00 -0.18 2.55 3.14 0.00 -1.26 -5.11 105.19 104.33 2k3f n GLY 88 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.34 -0.13 1.61 3.41 -1.25 -4.77 113.62 108.14 2k3f n SER 89 Ca 0.00 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 2k3f n SER 89 Cb 0.00 -3.39 0.00 0.00 -0.26 0.00 0.00 64.21 60.56 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 2.05 0.17 -2.30 4.04 7.64 -1.26 -4.86 113.62 119.09 2k3f n SER 90 Ca -0.12 -1.30 -0.00 0.00 1.01 0.00 0.00 58.87 58.46 2k3f n SER 90 Cb 0.19 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2k3f n SER 90 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k3f n GLU 91 N -0.32 -2.31 -2.53 1.43 2.13 -1.26 -4.92 120.64 112.87 2k3f n GLU 91 Ca 0.00 2.01 -0.42 0.00 0.66 0.00 0.00 57.16 59.41 2k3f n GLU 91 Cb 0.04 -3.91 -0.02 0.00 0.27 0.00 0.00 31.44 27.82 2k3f n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k3f s PRO 92 N -1.10 3.49 -1.28 5.31 0.04 -1.26 -4.94 135.00 135.27 2k3f s PRO 92 Ca 0.00 0.37 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 2k3f s PRO 92 Cb -0.00 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.53 2k3f s PRO 92 CO 0.52 -1.71 1.92 1.63 0.04 0.00 0.00 177.00 179.40 2k3f n LYS 93 N 8.42 2.73 0.00 4.56 4.01 -1.26 -3.05 118.16 133.56 2k3f n LYS 93 Ca 0.10 -2.85 0.00 0.00 -0.51 0.00 0.00 58.31 55.05 2k3f n LYS 93 Cb 0.49 -3.42 0.00 0.00 -0.51 0.00 0.00 35.03 31.59 2k3f n LYS 93 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2k3f n ARG 94 N 7.62 0.00 0.00 1.97 1.74 -1.26 -5.03 116.66 121.69 2k3f n ARG 94 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2k3f n ARG 94 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k3f n LYS 95 N -1.86 0.00 0.18 5.56 4.76 -1.17 -5.05 118.16 120.58 2k3f n LYS 95 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k3f n LYS 95 Cb 0.00 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 2k3f n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k3f n ILE 96 N 0.00 0.00 0.04 -0.18 5.41 -1.25 -5.01 119.36 118.36 2k3f n ILE 96 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2k3f n ILE 96 Cb 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 -3.33 0.00 -4.15 1.39 3.14 -1.21 -4.45 118.33 109.72 2k3f n VAL 97 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2k3f n VAL 97 Cb 0.00 -0.06 -0.12 0.00 -1.06 0.00 0.00 33.84 32.60 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 -2.36 0.59 0.11 7.55 0.00 -1.25 -4.52 107.32 107.44 2k3f s GLY 98 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 2k3f s GLY 98 CO 0.00 -0.78 0.24 -1.59 0.00 0.00 0.00 173.10 170.97 2k3f s LYS 99 N -1.35 0.93 0.00 2.90 -2.85 -1.25 -2.75 119.74 115.37 2k3f s LYS 99 Ca -0.05 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2k3f s LYS 99 Cb -0.09 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2k3f s LYS 99 CO 0.01 -0.32 0.00 1.33 0.10 0.00 0.00 175.35 176.47 2k3f n VAL 100 N -0.11 0.00 -4.43 1.79 0.24 -0.73 -4.66 118.33 110.43 2k3f n VAL 100 Ca -0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.93 2k3f n VAL 100 Cb 0.63 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 2k3f n VAL 100 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2k3f s THR 101 N -2.94 2.27 0.30 3.34 -4.23 -1.26 0.11 115.64 113.22 2k3f s THR 101 Ca 0.00 -2.30 0.04 0.00 -1.18 0.00 0.00 61.69 58.25 2k3f s THR 101 Cb 0.00 -2.20 0.35 0.00 1.34 0.00 0.00 72.50 71.99 2k3f s THR 101 CO 0.00 -0.41 1.61 -0.09 -0.54 0.00 0.00 174.62 175.20 2k3f h ARG 102 N 2.49 0.11 -0.62 3.99 9.65 -1.84 0.13 114.38 128.29 2k3f h ARG 102 Ca -0.40 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.51 2k3f h ARG 102 Cb 1.24 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 2k3f h ARG 102 CO 0.59 0.07 0.36 -0.22 2.80 0.00 0.00 179.97 183.57 2k3f h LYS 103 N 0.11 0.68 0.17 0.20 1.63 -1.95 -1.44 116.57 115.98 2k3f h LYS 103 Ca 0.60 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.37 2k3f h LYS 103 Cb 1.27 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 2k3f h LYS 103 CO -0.76 0.45 -0.28 0.37 -3.45 0.00 0.00 179.45 175.78 2k3f h GLN 104 N 0.70 -0.50 -0.80 1.90 5.75 -1.39 -0.70 115.11 120.07 2k3f h GLN 104 Ca 0.26 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.93 2k3f h GLN 104 Cb 0.08 0.11 -0.14 0.00 1.07 0.00 0.00 27.48 28.61 2k3f h GLN 104 CO -0.13 -0.33 -0.28 -0.89 -2.65 0.00 0.00 178.83 174.55 2k3f n ILE 105 N -5.39 -0.40 -0.06 2.39 2.08 -0.68 -2.64 119.36 114.66 2k3f n ILE 105 Ca -0.07 1.86 -0.14 0.00 0.56 0.00 0.00 62.75 64.95 2k3f n ILE 105 Cb 0.30 -2.49 -0.09 0.00 -0.75 0.00 0.00 39.64 36.61 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 -0.48 -0.22 0.38 4.81 -0.02 0.69 114.58 119.74 2k3f h GLU 106 Ca 0.31 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 2k3f h GLU 106 Cb 0.51 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2k3f h GLU 106 CO -0.80 -0.32 -0.04 0.93 -0.73 0.00 0.00 179.01 178.05 2k3f h GLU 107 N -0.50 0.02 -0.13 1.92 5.08 -1.33 0.65 114.58 120.29 2k3f h GLU 107 Ca 0.06 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2k3f h GLU 107 Cb 0.64 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2k3f h GLU 107 CO -0.50 0.01 -0.43 0.82 -1.00 0.00 0.00 179.01 177.91 2k3f h ILE 108 N 0.02 0.13 -0.91 3.13 1.08 -1.26 0.28 117.51 119.99 2k3f h ILE 108 Ca 0.10 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 2k3f h ILE 108 Cb 0.15 0.13 -0.07 0.00 -3.07 0.00 0.00 36.82 33.96 2k3f h ILE 108 CO -0.21 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 177.84 2k3f h ALA 109 N 0.08 2.11 0.16 1.87 0.00 0.16 -2.66 119.26 120.97 2k3f h ALA 109 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3f h ALA 109 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k3f h ALA 109 CO -0.40 -0.40 -0.07 0.87 0.00 0.00 0.00 179.25 179.24 2k3f h LYS 110 N 0.47 -0.20 -0.57 0.00 1.57 0.13 -2.49 116.57 115.48 2k3f h LYS 110 Ca 0.47 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.43 2k3f h LYS 110 Cb 1.08 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2k3f h LYS 110 CO -0.20 0.16 0.41 0.00 -0.57 0.00 0.00 179.45 179.25 2k3f h THR 111 N -0.96 0.73 -0.24 -0.16 1.03 -0.32 0.07 112.91 113.06 2k3f h THR 111 Ca -0.02 -0.01 -0.06 0.00 -0.01 0.00 0.00 66.41 66.30 2k3f h THR 111 Cb 0.45 0.69 -0.04 0.00 -1.07 0.00 0.00 68.15 68.18 2k3f h THR 111 CO 0.04 0.01 -0.05 0.29 -0.01 0.00 0.00 175.52 175.80 2k3f n LYS 112 N -4.38 2.23 -0.28 0.00 5.02 -1.02 -4.69 118.16 115.04 2k3f n LYS 112 Ca 0.11 -2.94 0.09 0.00 -2.02 0.00 0.00 58.31 53.55 2k3f n LYS 112 Cb 0.62 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 34.10 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2k3f h MET 113 N 1.20 0.32 0.00 1.97 4.05 -0.48 0.41 114.93 122.40 2k3f h MET 113 Ca 0.08 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2k3f h MET 113 Cb 1.43 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.16 2k3f h MET 113 CO 0.24 0.21 -0.03 -1.00 0.23 0.00 0.00 176.91 176.56 2k3f h PRO 114 N 0.33 0.00 0.00 0.39 0.13 -1.84 -1.72 132.00 129.29 2k3f h PRO 114 Ca 0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.58 2k3f h PRO 114 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2k3f h PRO 114 CO -0.53 0.03 -0.32 0.22 -0.23 0.00 0.00 178.00 177.17 2k3f h ASP 115 N 0.00 0.00 0.01 1.44 3.58 -1.32 -3.32 116.42 116.81 2k3f h ASP 115 Ca -0.00 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2k3f h ASP 115 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k3f h ASP 115 CO 0.00 0.89 0.00 0.18 -2.88 0.00 0.00 179.24 177.43 2k3f n LEU 116 N -4.63 0.00 -3.45 2.28 4.32 -0.56 -4.79 117.00 110.17 2k3f n LEU 116 Ca -0.10 0.02 -0.19 0.00 -0.02 0.00 0.00 56.01 55.71 2k3f n LEU 116 Cb 0.32 -0.02 0.09 0.00 -1.62 0.00 0.00 43.42 42.19 2k3f n LEU 116 CO 0.16 -0.01 0.15 0.59 -1.22 0.00 0.00 177.39 177.06 2k3f n ASN 117 N -1.02 -3.37 -4.62 -1.43 4.13 -1.18 -4.91 115.26 102.87 2k3f n ASN 117 Ca 0.06 -0.59 -0.43 0.00 1.68 0.00 0.00 54.58 55.31 2k3f n ASN 117 Cb 0.03 -5.04 -0.02 0.00 -1.54 0.00 0.00 39.78 33.21 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3f s ALA 118 N -3.34 3.34 0.25 5.41 0.00 -0.65 -4.87 121.76 121.90 2k3f s ALA 118 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k3f s ALA 118 Cb -0.08 -3.77 0.31 0.00 0.00 0.00 0.00 23.12 19.57 2k3f s ALA 118 CO 0.72 -1.83 1.68 -0.97 0.00 0.00 0.00 175.76 175.36 2k3f h ASN 119 N 8.63 0.63 -4.59 0.00 -0.73 -1.90 -3.46 115.58 114.17 2k3f h ASN 119 Ca -0.22 -0.22 -0.12 0.00 1.87 0.00 0.00 56.30 57.62 2k3f h ASN 119 Cb 1.06 -0.17 -0.22 0.00 0.27 0.00 0.00 38.32 39.26 2k3f h ASN 119 CO 1.07 0.85 -0.24 -0.94 -0.37 0.00 0.00 177.43 177.80 2k3f s SER 120 N -6.77 -0.29 0.29 1.15 1.04 -1.26 -5.07 113.70 102.78 2k3f s SER 120 Ca -0.08 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.74 2k3f s SER 120 Cb 0.13 0.49 0.61 0.00 0.10 0.00 0.00 66.02 67.36 2k3f s SER 120 CO 0.81 -0.34 1.80 0.25 0.98 0.00 0.00 173.24 176.74 2k3f h LEU 121 N 4.41 0.81 -1.48 2.42 5.85 -1.94 0.12 115.31 125.50 2k3f h LEU 121 Ca -0.28 0.07 0.22 0.00 0.84 0.00 0.00 57.88 58.73 2k3f h LEU 121 Cb 1.18 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 2k3f h LEU 121 CO 0.35 0.37 0.62 -0.33 -0.34 0.00 0.00 178.44 179.12 2k3f h GLU 122 N 0.85 0.38 -0.05 1.25 4.39 -1.98 0.56 114.58 119.99 2k3f h GLU 122 Ca 0.52 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 2k3f h GLU 122 Cb 0.66 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2k3f h GLU 122 CO -0.32 0.25 -0.01 0.00 -1.16 0.00 0.00 179.01 177.77 2k3f h ALA 123 N 1.60 0.07 -0.28 3.43 0.00 -1.40 -2.75 119.26 119.92 2k3f h ALA 123 Ca 0.51 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.29 2k3f h ALA 123 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k3f h ALA 123 CO -0.20 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.05 2k3f h ALA 124 N 0.64 2.19 -0.77 0.00 0.00 -0.30 -1.83 119.26 119.19 2k3f h ALA 124 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3f h ALA 124 Cb 0.41 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2k3f h ALA 124 CO 0.01 -0.37 0.43 0.52 0.00 0.00 0.00 179.25 179.83 2k3f h MET 125 N 0.00 1.07 -0.28 0.00 2.07 0.22 -2.50 114.93 115.51 2k3f h MET 125 Ca 0.14 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.59 2k3f h MET 125 Cb 0.57 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 2k3f h MET 125 CO -0.00 0.79 -0.03 1.57 1.07 0.00 0.00 176.91 180.32 2k3f h LYS 126 N 1.07 0.51 0.50 1.72 5.09 -1.15 -1.91 116.57 122.38 2k3f h LYS 126 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 60.65 60.82 2k3f h LYS 126 Cb 0.03 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.30 2k3f h LYS 126 CO -0.04 0.68 -0.48 0.97 -2.09 0.00 0.00 179.45 178.48 2k3f h ILE 127 N 0.28 0.00 -0.22 0.07 -0.00 -1.44 0.20 117.51 116.40 2k3f h ILE 127 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 64.86 64.99 2k3f h ILE 127 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 36.82 37.22 2k3f h ILE 127 CO 0.02 0.00 -0.33 0.40 -0.00 0.00 0.00 178.15 178.24 2k3f h ILE 128 N -0.97 0.26 -0.69 2.19 1.08 -1.50 1.11 117.51 118.99 2k3f h ILE 128 Ca -0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2k3f h ILE 128 Cb 0.84 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.78 2k3f h ILE 128 CO -0.05 0.00 0.33 -0.08 -0.69 0.00 0.00 178.15 177.66 2k3f h GLU 129 N -0.36 0.55 -0.09 2.37 4.81 -1.30 0.12 114.58 120.68 2k3f h GLU 129 Ca 0.12 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2k3f h GLU 129 Cb 0.55 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2k3f h GLU 129 CO -0.41 0.36 -0.24 0.78 -0.73 0.00 0.00 179.01 178.77 2k3f h GLY 130 N 0.56 0.36 -0.30 1.92 0.00 0.18 -0.07 103.07 105.72 2k3f h GLY 130 Ca 0.34 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.29 2k3f h GLY 130 CO -0.28 0.40 -0.46 -0.84 0.00 0.00 0.00 176.54 175.36 2k3f h THR 131 N -0.13 0.08 -0.85 4.70 2.02 0.14 -0.96 112.91 117.90 2k3f h THR 131 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 2k3f h THR 131 Cb 0.85 0.08 -0.12 0.00 -1.74 0.00 0.00 68.15 67.23 2k3f h THR 131 CO 0.05 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.30 2k3f h ALA 132 N 0.27 1.31 -0.43 6.16 0.00 -0.63 -0.54 119.26 125.39 2k3f h ALA 132 Ca 0.12 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2k3f h ALA 132 Cb 0.60 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 2k3f h ALA 132 CO -0.56 -0.29 -0.26 0.87 0.00 0.00 0.00 179.25 179.00 2k3f h LYS 133 N 0.42 -0.17 -0.16 0.00 1.57 0.34 0.21 116.57 118.78 2k3f h LYS 133 Ca 0.51 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.22 2k3f h LYS 133 Cb 0.91 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2k3f h LYS 133 CO -0.49 -0.12 -0.27 0.77 -0.57 0.00 0.00 179.45 178.77 2k3f h SER 134 N -0.18 0.30 0.10 0.86 0.02 -0.60 -3.04 113.55 111.02 2k3f h SER 134 Ca 0.20 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k3f h SER 134 Cb 0.50 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k3f h SER 134 CO -0.53 0.58 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 2k3f n MET 135 N -4.13 0.89 -1.14 3.45 2.81 -0.34 -4.87 117.12 113.79 2k3f n MET 135 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2k3f n MET 135 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.04 0.55 3.45 3.03 0.00 -0.71 -4.93 105.19 107.62 2k3f n GLY 136 Ca 0.22 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 3.84 0.35 -0.61 1.09 0.61 -3.36 121.20 121.12 2k3f s ILE 137 Ca 0.00 -0.36 -0.03 0.00 -1.10 0.00 0.00 60.65 59.16 2k3f s ILE 137 Cb 0.00 -2.71 -0.04 0.00 -1.06 0.00 0.00 42.46 38.65 2k3f s ILE 137 CO 0.00 0.46 0.61 -0.70 -0.10 0.00 0.00 174.94 175.20 2k3f s GLU 138 N 0.75 3.56 -0.07 2.79 2.12 -1.11 -3.65 118.70 123.10 2k3f s GLU 138 Ca -0.01 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.30 2k3f s GLU 138 Cb -0.14 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.65 2k3f s GLU 138 CO 0.02 0.09 -0.23 0.14 -0.54 0.00 0.00 175.26 174.74 2k3f s VAL 139 N -2.32 2.22 -0.47 3.70 -7.23 -1.25 -1.78 120.40 113.27 2k3f s VAL 139 Ca 0.43 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 2k3f s VAL 139 Cb -0.10 -1.83 0.24 0.00 0.56 0.00 0.00 36.38 35.25 2k3f s VAL 139 CO 0.35 0.57 0.57 1.33 -0.31 0.00 0.00 175.10 177.61 2k3f n VAL 140 N 3.02 0.18 0.00 1.32 0.24 0.30 -4.84 118.33 118.55 2k3f n VAL 140 Ca -0.18 -4.33 0.00 0.00 -2.04 0.00 0.00 64.34 57.79 2k3f n VAL 140 Cb 0.52 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02