#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 0.99 -3.64 -5.12 0.00 -1.26 -4.95 120.51 106.54 2k3f n ALA 2 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k3f n ALA 2 Cb 0.00 -2.53 -0.17 0.00 0.00 0.00 0.00 19.45 16.76 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 5.88 1.87 -0.46 0.00 -0.14 -1.26 -5.04 119.74 120.59 2k3f s LYS 3 Ca 1.07 -0.44 0.07 0.00 -1.36 0.00 0.00 55.97 55.32 2k3f s LYS 3 Cb -0.85 -1.64 0.24 0.00 -1.68 0.00 0.00 37.83 33.90 2k3f s LYS 3 CO 0.50 -0.07 0.56 1.63 -0.76 0.00 0.00 175.35 177.21 2k3f n LYS 4 N 4.21 1.14 -2.32 1.68 4.76 -1.26 -5.07 118.16 121.30 2k3f n LYS 4 Ca -0.19 -3.61 -0.42 0.00 -2.87 0.00 0.00 58.31 51.21 2k3f n LYS 4 Cb 0.51 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.39 4.02 -0.19 -0.18 1.01 -1.26 0.11 120.40 122.51 2k3f s VAL 5 Ca 0.36 1.32 0.13 0.00 0.00 0.00 0.00 61.98 63.78 2k3f s VAL 5 Cb 0.15 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.44 2k3f s VAL 5 CO -0.10 -0.05 0.07 0.00 0.00 0.00 0.00 175.10 175.02 2k3f n ALA 6 N 5.91 1.46 -3.00 5.51 0.00 0.25 -4.70 120.51 125.94 2k3f n ALA 6 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2k3f n ALA 6 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.86 0.00 -3.34 0.00 0.00 -0.52 -5.01 120.51 108.78 2k3f n ALA 7 Ca -0.34 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 2k3f n ALA 7 Cb 1.10 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.42 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 -1.48 0.14 -0.61 0.00 -0.21 -1.26 -1.74 119.66 114.50 2k3f s GLN 8 Ca 0.00 0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.70 2k3f s GLN 8 Cb 0.00 -0.03 0.16 0.00 1.00 0.00 0.00 33.01 34.13 2k3f s GLN 8 CO 0.00 -0.08 0.40 0.42 -2.12 0.00 0.00 175.29 173.90 2k3f s ILE 9 N 0.57 2.43 0.22 1.08 -1.09 0.12 -4.90 121.20 119.64 2k3f s ILE 9 Ca -0.04 -3.73 -0.30 0.00 -2.23 0.00 0.00 60.65 54.35 2k3f s ILE 9 Cb -0.06 -2.63 -0.09 0.00 -1.58 0.00 0.00 42.46 38.11 2k3f s ILE 9 CO -0.03 -0.97 1.00 -0.54 -1.23 0.00 0.00 174.94 173.18 2k3f s LYS 10 N -0.86 4.75 -0.20 2.79 1.02 -1.26 -1.62 119.74 124.36 2k3f s LYS 10 Ca 0.23 1.59 -0.13 0.00 0.02 0.00 0.00 55.97 57.69 2k3f s LYS 10 Cb -0.11 -3.27 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2k3f s LYS 10 CO -0.11 0.34 0.50 -0.51 -0.92 0.00 0.00 175.35 174.65 2k3f s LEU 11 N -0.98 -0.28 -0.43 3.17 1.02 -0.82 -4.95 118.68 115.41 2k3f s LEU 11 Ca 0.44 1.07 -0.19 0.00 0.02 0.00 0.00 54.13 55.47 2k3f s LEU 11 Cb -0.28 1.69 0.02 0.00 0.02 0.00 0.00 46.19 47.64 2k3f s LEU 11 CO 0.34 -0.20 0.55 0.00 0.02 0.00 0.00 176.35 177.06 2k3f s GLN 12 N 1.24 3.19 -0.03 1.70 -2.07 -1.25 0.23 119.66 122.66 2k3f s GLN 12 Ca -0.08 -0.56 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2k3f s GLN 12 Cb -0.07 -3.96 0.00 0.00 -1.09 0.00 0.00 33.01 27.89 2k3f s GLN 12 CO -0.12 -0.95 -0.12 -0.51 -1.32 0.00 0.00 175.29 172.27 2k3f s LEU 13 N 2.51 1.84 0.01 2.60 1.43 0.12 -4.74 118.68 122.46 2k3f s LEU 13 Ca 0.18 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.72 2k3f s LEU 13 Cb -0.16 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 2k3f s LEU 13 CO 0.16 0.10 1.93 -2.65 0.23 0.00 0.00 176.35 176.13 2k3f n PRO 14 N 3.21 2.68 -1.84 1.29 -0.02 -1.23 0.94 135.00 140.02 2k3f n PRO 14 Ca -0.18 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 2k3f n PRO 14 Cb 0.54 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 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 4.15 3.78 0.00 3.55 0.00 0.39 -0.30 121.76 133.33 2k3f s ALA 15 Ca 0.89 1.39 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2k3f s ALA 15 Cb -0.51 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2k3f s ALA 15 CO 0.44 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2k3f n GLY 16 N 3.97 0.53 1.28 0.00 0.00 -1.24 -0.76 105.19 108.97 2k3f n GLY 16 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 2k3f n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3f n LYS 17 N -1.89 0.00 -2.59 1.61 4.76 0.59 -4.97 118.16 115.67 2k3f n LYS 17 Ca 0.00 -1.59 -0.34 0.00 -2.87 0.00 0.00 58.31 53.52 2k3f n LYS 17 Cb 0.07 0.16 -0.04 0.00 -1.84 0.00 0.00 35.03 33.38 2k3f n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3f s ALA 18 N 0.00 2.92 -0.30 7.82 0.00 -0.72 -4.42 121.76 127.06 2k3f s ALA 18 Ca 0.21 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2k3f s ALA 18 Cb 0.24 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 20.32 2k3f s ALA 18 CO -0.10 -0.22 1.41 -0.08 0.00 0.00 0.00 175.76 176.77 2k3f s THR 19 N -2.08 0.00 -0.07 0.00 -1.32 -1.26 -4.96 115.64 105.95 2k3f s THR 19 Ca 0.65 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 2k3f s THR 19 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2k3f s THR 19 CO 0.19 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.79 2k3f n PRO 20 N 1.60 0.00 -0.41 7.08 -0.04 -1.26 -4.09 135.00 137.88 2k3f n PRO 20 Ca -0.10 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.07 2k3f n PRO 20 Cb 0.57 -0.57 0.25 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.24 -3.78 -0.29 0.55 0.00 -1.26 -3.71 120.51 112.25 2k3f n ALA 21 Ca 0.00 -1.49 0.22 0.00 0.00 0.00 0.00 53.44 52.16 2k3f n ALA 21 Cb 0.00 -1.68 0.41 0.00 0.00 0.00 0.00 19.45 18.18 2k3f n ALA 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k3f n PRO 22 N -4.61 -0.06 0.00 0.00 -0.02 -1.26 -0.99 135.00 128.06 2k3f n PRO 22 Ca 0.06 1.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.78 2k3f n PRO 22 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2k3f n PRO 22 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2k3f n PRO 23 N -5.08 0.00 -0.09 0.52 -0.02 -1.26 -4.17 135.00 124.91 2k3f n PRO 23 Ca 0.28 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.45 2k3f n PRO 23 Cb 0.93 -1.28 -0.07 0.00 -0.02 0.00 0.00 33.50 33.07 2k3f n PRO 23 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k3f h VAL 24 N 0.00 0.52 0.01 -1.45 2.07 -1.21 -3.21 116.25 112.99 2k3f h VAL 24 Ca 0.00 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.90 2k3f h VAL 24 Cb 0.00 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2k3f h VAL 24 CO 0.00 0.18 -0.25 1.23 0.02 0.00 0.00 177.57 178.75 2k3f h GLY 25 N -1.00 -1.25 0.59 2.17 0.00 -1.57 0.55 103.07 102.55 2k3f h GLY 25 Ca -0.17 0.62 0.08 0.00 0.00 0.00 0.00 47.33 47.85 2k3f h GLY 25 CO -0.10 -0.39 0.38 -2.55 0.00 0.00 0.00 176.54 173.88 2k3f h PRO 26 N -0.32 0.66 0.00 4.80 0.11 -1.78 0.39 132.00 135.86 2k3f h PRO 26 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k3f h PRO 26 Cb 0.34 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2k3f h PRO 26 CO -0.16 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 2k3f n ALA 27 N -2.38 -0.06 -0.08 -0.75 0.00 -0.87 -2.22 120.51 114.16 2k3f n ALA 27 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 27 Cb 0.22 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 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 0.43 -1.00 0.00 3.38 -0.97 -3.25 115.31 113.91 2k3f h LEU 28 Ca 0.00 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2k3f h LEU 28 Cb 0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2k3f h LEU 28 CO 0.00 0.68 0.64 1.23 0.09 0.00 0.00 178.44 181.08 2k3f h GLY 29 N 0.18 1.41 2.00 0.83 0.00 -0.32 0.13 103.07 107.30 2k3f h GLY 29 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2k3f h GLY 29 CO 0.02 0.53 -0.03 -1.61 0.00 0.00 0.00 176.54 175.45 2k3f h GLN 30 N 1.35 0.00 -0.64 4.80 4.15 -1.49 0.77 115.11 124.06 2k3f h GLN 30 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2k3f h GLN 30 Cb -0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2k3f h GLN 30 CO -0.08 0.03 0.00 0.72 -1.93 0.00 0.00 178.83 177.57 2k3f n HIS 31 N -4.02 1.67 -0.74 3.99 8.25 0.33 -4.90 115.22 119.80 2k3f n HIS 31 Ca -0.03 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 2k3f n HIS 31 Cb 0.11 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 0.96 0.76 3.80 -1.41 0.00 0.27 -4.94 105.19 104.63 2k3f n GLY 32 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 2k3f n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k3f s VAL 33 N -2.80 4.35 -0.71 1.61 1.01 -0.51 -4.90 120.40 118.44 2k3f s VAL 33 Ca 0.00 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.30 2k3f s VAL 33 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2k3f s VAL 33 CO 0.00 0.00 1.86 0.20 0.00 0.00 0.00 175.10 177.16 2k3f s ASN 34 N -1.83 5.28 0.31 3.32 0.01 -1.26 -4.03 114.94 116.74 2k3f s ASN 34 Ca 0.53 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 2k3f s ASN 34 Cb -0.15 -2.54 0.62 0.00 0.41 0.00 0.00 41.25 39.59 2k3f s ASN 34 CO 0.20 -2.46 1.87 0.40 -1.51 0.00 0.00 177.10 175.60 2k3f h ILE 35 N 6.97 0.95 -0.25 0.60 1.08 -1.93 0.19 117.51 125.13 2k3f h ILE 35 Ca -0.14 -0.32 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 2k3f h ILE 35 Cb 1.11 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2k3f h ILE 35 CO 1.22 0.17 -0.28 0.00 -0.69 0.00 0.00 178.15 178.57 2k3f h MET 36 N 0.92 0.63 -0.26 2.37 -0.00 -1.97 0.72 114.93 117.34 2k3f h MET 36 Ca 0.44 -0.34 0.05 0.00 -0.00 0.00 0.00 59.70 59.85 2k3f h MET 36 Cb 0.44 0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 32.01 2k3f h MET 36 CO -0.20 0.95 -0.06 0.93 -0.00 0.00 0.00 176.91 178.52 2k3f h GLU 37 N 0.35 -0.00 0.15 -0.10 5.08 -1.77 0.52 114.58 118.81 2k3f h GLU 37 Ca 0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2k3f h GLU 37 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2k3f h GLU 37 CO 0.07 -0.00 -0.37 0.35 -1.00 0.00 0.00 179.01 178.06 2k3f h PHE 38 N -0.00 -1.01 -0.22 4.33 3.57 -0.39 0.13 116.94 123.35 2k3f h PHE 38 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2k3f h PHE 38 Cb 0.19 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2k3f h PHE 38 CO -0.26 -0.48 0.10 0.00 -2.23 0.00 0.00 178.31 175.44 2k3f h LYS 40 N 0.22 0.00 0.15 0.00 1.57 0.16 0.79 116.57 119.46 2k3f h LYS 40 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2k3f h LYS 40 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2k3f h LYS 40 CO -0.08 0.11 -0.07 0.00 -0.57 0.00 0.00 179.45 178.85 2k3f h ARG 41 N 0.00 -0.19 -0.58 3.15 3.08 0.27 -3.09 114.38 117.01 2k3f h ARG 41 Ca -0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2k3f h ARG 41 Cb 0.43 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 2k3f h ARG 41 CO 0.01 -0.13 0.25 0.35 -1.07 0.00 0.00 179.97 179.38 2k3f h PHE 42 N -0.59 0.44 0.24 3.04 3.57 0.55 0.45 116.94 124.64 2k3f h PHE 42 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k3f h PHE 42 Cb 0.15 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2k3f h PHE 42 CO 0.03 0.15 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.23 2k3f h ASN 43 N 0.45 -0.30 -0.81 0.41 -0.26 -1.02 0.36 115.58 114.42 2k3f h ASN 43 Ca 0.28 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 56.00 2k3f h ASN 43 Cb 0.29 0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 2k3f h ASN 43 CO -0.25 -0.21 0.35 0.00 -1.06 0.00 0.00 177.43 176.26 2k3f h ALA 44 N 0.43 1.09 -0.29 -0.83 0.00 -1.27 -0.91 119.26 117.48 2k3f h ALA 44 Ca -0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k3f h ALA 44 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k3f h ALA 44 CO 0.04 0.66 -0.35 0.93 0.00 0.00 0.00 179.25 180.53 2k3f h GLU 45 N 1.17 0.66 -0.19 0.00 5.08 -0.55 -3.08 114.58 117.66 2k3f h GLU 45 Ca 0.27 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k3f h GLU 45 Cb 0.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k3f h GLU 45 CO -0.03 0.91 0.00 0.25 -1.00 0.00 0.00 179.01 179.14 2k3f n THR 46 N -4.06 0.25 -0.33 1.13 -2.24 0.12 -4.29 114.28 104.87 2k3f n THR 46 Ca -0.01 -0.41 0.23 0.00 -2.27 0.00 0.00 64.05 61.60 2k3f n THR 46 Cb 0.50 0.48 0.51 0.00 -2.10 0.00 0.00 70.33 69.72 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 4.13 2.25 0.17 6.98 0.00 -1.07 -0.20 119.26 131.52 2k3f h ALA 47 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2k3f h ALA 47 Cb 0.57 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k3f h ALA 47 CO 0.00 -0.67 -1.47 0.38 0.00 0.00 0.00 179.25 177.49 2k3f h ASP 48 N 0.38 0.57 -0.52 0.00 2.03 -1.84 -3.23 116.42 113.81 2k3f h ASP 48 Ca 0.61 -0.68 -0.09 0.00 -0.73 0.00 0.00 57.03 56.14 2k3f h ASP 48 Cb 1.56 -0.19 -0.05 0.00 -0.83 0.00 0.00 39.33 39.83 2k3f h ASP 48 CO -0.31 1.55 0.11 0.29 -1.03 0.00 0.00 179.24 179.85 2k3f n LYS 49 N -3.57 3.59 -1.20 4.15 5.02 -0.58 -4.98 118.16 120.59 2k3f n LYS 49 Ca -0.16 -2.42 -0.35 0.00 -2.02 0.00 0.00 58.31 53.37 2k3f n LYS 49 Cb 1.06 -2.06 0.10 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.21 -0.57 -0.48 7.82 0.00 -0.19 -3.77 120.51 123.54 2k3f n ALA 50 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3f n ALA 50 Cb 1.08 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.02 0.72 2.82 0.00 0.00 0.06 -4.92 105.19 104.89 2k3f n GLY 51 Ca 0.12 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.83 0.55 -0.84 1.61 1.00 -1.24 -4.90 119.30 114.64 2k3f s MET 52 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 55.69 55.48 2k3f s MET 52 Cb 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 34.83 34.03 2k3f s MET 52 CO 0.00 -0.17 2.07 0.42 0.00 0.00 0.00 175.02 177.34 2k3f s ILE 53 N 1.29 3.32 0.05 2.53 -1.09 -1.26 0.15 121.20 126.18 2k3f s ILE 53 Ca -0.06 -0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 57.83 2k3f s ILE 53 Cb -0.13 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2k3f s ILE 53 CO -0.02 -0.68 1.09 -0.76 -1.23 0.00 0.00 174.94 173.33 2k3f s LEU 54 N 11.27 4.39 -0.81 2.97 1.43 0.27 -4.62 118.68 133.57 2k3f s LEU 54 Ca 0.76 1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 55.47 2k3f s LEU 54 Cb -0.09 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2k3f s LEU 54 CO 0.04 -0.34 1.63 -2.84 0.23 0.00 0.00 176.35 175.06 2k3f s PRO 55 N 0.87 2.99 0.22 1.29 0.02 -1.26 0.16 135.00 139.28 2k3f s PRO 55 Ca 0.55 -0.24 0.04 0.00 0.02 0.00 0.00 61.00 61.37 2k3f s PRO 55 Cb -0.26 -4.72 -0.03 0.00 0.02 0.00 0.00 34.50 29.51 2k3f s PRO 55 CO 0.29 -2.60 0.35 0.54 -0.33 0.00 0.00 177.00 175.25 2k3f s VAL 56 N 7.45 5.27 -0.07 3.83 0.11 0.14 -0.41 120.40 136.71 2k3f s VAL 56 Ca 0.54 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2k3f s VAL 56 Cb -0.07 -3.82 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2k3f s VAL 56 CO 0.07 -0.26 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.89 2k3f s VAL 57 N -1.92 0.39 -0.06 2.04 1.01 0.11 -1.94 120.40 120.02 2k3f s VAL 57 Ca 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2k3f s VAL 57 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2k3f s VAL 57 CO 0.29 0.26 0.02 -0.63 0.00 0.00 0.00 175.10 175.05 2k3f s ILE 58 N 1.95 4.44 -0.33 2.22 1.01 -0.64 -0.27 121.20 129.59 2k3f s ILE 58 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2k3f s ILE 58 Cb -0.12 -2.92 0.10 0.00 0.01 0.00 0.00 42.46 39.53 2k3f s ILE 58 CO -0.05 0.53 0.07 -0.89 0.00 0.00 0.00 174.94 174.60 2k3f s THR 59 N -0.98 1.65 0.04 2.92 2.01 0.52 0.16 115.64 121.96 2k3f s THR 59 Ca 0.16 -1.92 -0.20 0.00 0.31 0.00 0.00 61.69 60.04 2k3f s THR 59 Cb -0.12 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.10 2k3f s THR 59 CO 0.06 -0.64 0.58 0.54 -0.69 0.00 0.00 174.62 174.47 2k3f s VAL 60 N 1.22 4.81 0.46 3.82 0.11 -0.71 -2.17 120.40 127.94 2k3f s VAL 60 Ca 0.10 1.22 0.07 0.00 -2.93 0.00 0.00 61.98 60.45 2k3f s VAL 60 Cb -0.18 -3.91 0.02 0.00 -1.53 0.00 0.00 36.38 30.78 2k3f s VAL 60 CO -0.16 0.50 0.63 -0.31 -3.33 0.00 0.00 175.10 172.43 2k3f s TYR 61 N -0.74 2.64 0.58 1.54 2.02 0.14 0.86 117.35 124.40 2k3f s TYR 61 Ca 0.30 -0.38 0.29 0.00 -0.37 0.00 0.00 57.07 56.90 2k3f s TYR 61 Cb -0.19 -2.42 1.50 0.00 -0.40 0.00 0.00 41.96 40.45 2k3f s TYR 61 CO 0.18 -0.58 1.93 0.93 -1.57 0.00 0.00 175.55 176.44 2k3f h GLU 62 N 0.49 0.00 0.00 -0.62 4.39 0.44 0.67 114.58 119.95 2k3f h GLU 62 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2k3f h GLU 62 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2k3f h GLU 62 CO 0.45 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 178.05 2k3f n ASP 63 N -3.79 0.39 0.00 1.42 8.00 -1.26 -4.80 116.55 116.51 2k3f n ASP 63 Ca 0.08 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2k3f n ASP 63 Cb 0.62 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k3f n LYS 64 N -1.88 0.00 -1.23 -1.24 4.76 0.23 -5.06 118.16 113.74 2k3f n LYS 64 Ca 0.06 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.21 2k3f n LYS 64 Cb 0.35 -2.18 0.19 0.00 -1.84 0.00 0.00 35.03 31.55 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 -2.51 2.24 0.10 4.39 1.04 -1.24 -4.46 113.70 113.26 2k3f s SER 65 Ca 0.00 0.94 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 2k3f s SER 65 Cb 0.00 -1.45 0.05 0.00 0.10 0.00 0.00 66.02 64.72 2k3f s SER 65 CO 0.00 -3.34 0.68 2.22 0.98 0.00 0.00 173.24 173.78 2k3f n PHE 66 N -4.28 -0.95 -3.80 5.02 -1.74 -1.26 0.23 117.46 110.68 2k3f n PHE 66 Ca 0.08 -0.76 -0.08 0.00 -0.56 0.00 0.00 57.45 56.14 2k3f n PHE 66 Cb 0.58 0.37 -0.02 0.00 1.52 0.00 0.00 39.48 41.93 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 -2.22 0.00 0.10 1.97 -4.23 -0.92 -4.93 115.64 105.41 2k3f s THR 67 Ca 0.15 -0.86 -0.25 0.00 -1.18 0.00 0.00 61.69 59.56 2k3f s THR 67 Cb -0.02 -1.86 0.08 0.00 1.34 0.00 0.00 72.50 72.04 2k3f s THR 67 CO 0.03 0.00 0.67 0.72 -0.54 0.00 0.00 174.62 175.50 2k3f s PHE 68 N -3.89 -0.51 0.22 3.99 -0.71 -1.26 -0.36 117.98 115.46 2k3f s PHE 68 Ca 0.10 0.40 0.06 0.00 -1.04 0.00 0.00 56.93 56.44 2k3f s PHE 68 Cb -0.05 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2k3f s PHE 68 CO 0.04 -0.76 -0.09 0.96 -1.34 0.00 0.00 175.22 174.03 2k3f s ILE 69 N -3.33 1.49 -0.10 -4.49 -4.36 0.63 -4.94 121.20 106.10 2k3f s ILE 69 Ca 0.00 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.24 2k3f s ILE 69 Cb -0.01 -2.15 0.04 0.00 1.25 0.00 0.00 42.46 41.58 2k3f s ILE 69 CO -0.10 -0.51 0.02 -0.63 0.24 0.00 0.00 174.94 173.96 2k3f s ILE 70 N -3.12 0.36 -1.16 8.37 1.01 -1.26 0.04 121.20 125.44 2k3f s ILE 70 Ca 0.24 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 2k3f s ILE 70 Cb 0.02 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.92 2k3f s ILE 70 CO 0.07 0.13 1.63 -0.54 0.00 0.00 0.00 174.94 176.23 2k3f s LYS 71 N 1.97 3.71 -0.78 2.79 3.01 0.46 -4.90 119.74 125.99 2k3f s LYS 71 Ca 0.04 -1.52 -0.28 0.00 -1.01 0.00 0.00 55.97 53.20 2k3f s LYS 71 Cb -0.13 -5.43 -0.16 0.00 -1.01 0.00 0.00 37.83 31.09 2k3f s LYS 71 CO -0.06 -2.34 2.54 0.25 0.51 0.00 0.00 175.35 176.25 2k3f n THR 72 N 6.72 -0.04 -1.51 2.17 -2.24 -1.26 -4.57 114.28 113.56 2k3f n THR 72 Ca 0.41 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.52 2k3f n THR 72 Cb 0.48 -1.50 0.18 0.00 -2.10 0.00 0.00 70.33 67.39 2k3f n THR 72 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2k3f s PRO 73 N 8.60 0.34 0.05 -0.78 0.04 -1.26 -4.62 135.00 137.38 2k3f s PRO 73 Ca 1.18 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2k3f s PRO 73 Cb -0.74 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 2k3f s PRO 73 CO 0.38 -2.68 0.47 -2.30 0.04 0.00 0.00 177.00 172.90 2k3f n PRO 74 N -4.05 -0.13 0.00 0.56 -0.02 -1.26 -4.58 135.00 125.52 2k3f n PRO 74 Ca 0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2k3f n PRO 74 Cb 0.59 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 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 -3.67 0.00 -0.30 3.55 0.00 -1.26 -4.26 120.51 114.57 2k3f n ALA 75 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2k3f n ALA 75 Cb 0.08 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.83 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 0.21 -0.04 0.00 4.64 -1.95 -0.78 113.55 115.62 2k3f h SER 76 Ca 0.00 0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2k3f h SER 76 Cb 0.00 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2k3f h SER 76 CO 0.00 -0.07 -0.11 0.15 -0.87 0.00 0.00 176.83 175.94 2k3f h PHE 77 N 0.32 -0.33 0.00 4.77 3.57 -1.95 -1.45 116.94 121.87 2k3f h PHE 77 Ca 0.56 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.07 2k3f h PHE 77 Cb 1.09 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2k3f h PHE 77 CO -0.18 -0.11 -0.28 1.28 -2.23 0.00 0.00 178.31 176.79 2k3f n LEU 78 N -3.17 0.39 0.20 0.59 7.99 -0.98 -2.23 117.00 119.78 2k3f n LEU 78 Ca -0.01 0.28 0.07 0.00 -0.01 0.00 0.00 56.01 56.34 2k3f n LEU 78 Cb 0.07 -0.34 0.36 0.00 -0.11 0.00 0.00 43.42 43.40 2k3f n LEU 78 CO 0.01 0.02 0.71 -0.07 -1.51 0.00 0.00 177.39 176.55 2k3f h LEU 79 N 0.00 0.00 0.05 2.23 3.38 -0.95 -1.66 115.31 118.36 2k3f h LEU 79 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k3f h LEU 79 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k3f h LEU 79 CO 0.00 0.33 -0.05 0.11 0.09 0.00 0.00 178.44 178.92 2k3f h LYS 80 N 0.00 -0.11 -1.73 1.13 1.79 -0.80 0.55 116.57 117.40 2k3f h LYS 80 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k3f h LYS 80 Cb 0.87 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2k3f h LYS 80 CO 0.04 -0.07 0.00 1.17 -1.08 0.00 0.00 179.45 179.51 2k3f n LYS 81 N -5.16 0.39 0.11 3.15 4.81 -0.63 -3.07 118.16 117.76 2k3f n LYS 81 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2k3f n LYS 81 Cb 0.09 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2k3f n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3f n ALA 82 N 1.11 0.00 0.26 3.14 0.00 -1.12 -4.91 120.51 118.99 2k3f n ALA 82 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2k3f n ALA 82 Cb 0.19 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.43 2k3f n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3f h ALA 83 N 0.00 1.78 -1.94 0.00 0.00 -0.02 -3.44 119.26 115.64 2k3f h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3f h ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3f h ALA 83 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2k3f n GLY 84 N -1.43 0.89 1.58 0.00 0.00 -1.18 -3.08 105.19 101.98 2k3f n GLY 84 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.97 0.12 0.98 -0.61 -5.35 -1.22 -4.14 119.36 108.16 2k3f n ILE 85 Ca 0.00 -0.69 0.02 0.00 -0.27 0.00 0.00 62.75 61.81 2k3f n ILE 85 Cb 0.33 0.79 0.14 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.20 0.49 0.00 6.28 2.13 -1.25 -3.87 120.64 124.22 2k3f n GLU 86 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2k3f n GLU 86 Cb 0.85 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.41 2k3f n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k3f n LYS 87 N -0.65 0.00 0.00 5.31 0.00 -1.26 -5.13 118.16 116.43 2k3f n LYS 87 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 2k3f n LYS 87 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.05 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3f n GLY 88 N -1.19 3.27 3.82 3.14 0.00 -1.25 -5.12 105.19 107.86 2k3f n GLY 88 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 2k3f n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3f s SER 89 N 0.00 4.70 0.24 1.61 1.04 -1.26 -4.70 113.70 115.33 2k3f s SER 89 Ca 0.00 1.29 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 2k3f s SER 89 Cb 0.00 -2.04 0.27 0.00 0.10 0.00 0.00 66.02 64.34 2k3f s SER 89 CO 0.00 -1.83 1.63 0.77 0.98 0.00 0.00 173.24 174.79 2k3f h SER 90 N -0.99 0.57 0.00 7.02 4.64 -1.95 -3.45 113.55 119.38 2k3f h SER 90 Ca -0.46 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2k3f h SER 90 Cb 1.26 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2k3f h SER 90 CO 0.60 0.88 0.00 1.21 -0.87 0.00 0.00 176.83 178.65 2k3f n GLU 91 N -4.06 0.00 -1.23 4.77 4.07 -1.26 -5.11 120.64 117.82 2k3f n GLU 91 Ca -0.01 0.00 -0.59 0.00 -0.06 0.00 0.00 57.16 56.50 2k3f n GLU 91 Cb 0.48 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.74 2k3f n GLU 91 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2k3f n PRO 92 N -1.61 0.00 -2.88 5.31 -0.01 -1.26 -4.86 135.00 129.70 2k3f n PRO 92 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 63.50 63.39 2k3f n PRO 92 Cb 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 33.50 32.02 2k3f n PRO 92 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 2k3f n LYS 93 N 7.40 0.61 -0.53 -0.52 5.02 -1.26 -4.73 118.16 124.15 2k3f n LYS 93 Ca 0.54 -2.18 -0.01 0.00 -2.02 0.00 0.00 58.31 54.64 2k3f n LYS 93 Cb -0.04 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 2k3f n LYS 93 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2k3f n ARG 94 N 2.25 1.05 0.00 1.97 0.63 -1.26 -4.61 116.66 116.69 2k3f n ARG 94 Ca 0.16 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2k3f n ARG 94 Cb 0.58 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.36 2k3f n ARG 94 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k3f n LYS 95 N 1.64 0.00 -2.87 -0.14 4.01 -1.26 -4.88 118.16 114.66 2k3f n LYS 95 Ca 0.04 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.41 2k3f n LYS 95 Cb 0.52 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.01 2k3f n LYS 95 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2k3f s ILE 96 N -0.31 4.48 0.14 -0.18 1.01 -1.25 -4.63 121.20 120.46 2k3f s ILE 96 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 2k3f s ILE 96 Cb 0.00 -4.76 -0.00 0.00 0.01 0.00 0.00 42.46 37.71 2k3f s ILE 96 CO 0.00 -1.52 1.61 1.62 0.00 0.00 0.00 174.94 176.65 2k3f h VAL 97 N 5.98 0.28 -2.99 2.92 3.04 -1.29 -3.41 116.25 120.77 2k3f h VAL 97 Ca -0.04 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.69 2k3f h VAL 97 Cb 1.04 0.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2k3f h VAL 97 CO 1.17 0.00 0.26 -0.83 -1.01 0.00 0.00 177.57 177.15 2k3f s GLY 98 N -2.70 0.12 0.28 3.17 0.00 -1.26 -4.56 107.32 102.37 2k3f s GLY 98 Ca -0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2k3f s GLY 98 CO 0.66 -0.17 0.44 -1.59 0.00 0.00 0.00 173.10 172.45 2k3f s LYS 99 N -3.17 1.64 0.00 2.90 0.00 -1.18 -2.85 119.74 117.10 2k3f s LYS 99 Ca 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 55.97 54.63 2k3f s LYS 99 Cb -0.06 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.22 2k3f s LYS 99 CO 0.09 -0.67 0.00 1.33 0.00 0.00 0.00 175.35 176.10 2k3f n VAL 100 N -0.43 0.00 -3.60 1.79 0.24 0.17 -4.20 118.33 112.30 2k3f n VAL 100 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2k3f n VAL 100 Cb 0.62 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 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 0.56 0.00 0.31 3.34 -1.32 -1.26 0.13 115.64 117.40 2k3f s THR 101 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2k3f s THR 101 Cb 0.00 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 2k3f s THR 101 CO 0.00 0.00 1.64 0.03 -2.21 0.00 0.00 174.62 174.08 2k3f h ARG 102 N 3.69 0.18 -0.58 7.08 2.47 -1.86 0.35 114.38 125.71 2k3f h ARG 102 Ca -0.26 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.49 2k3f h ARG 102 Cb 1.16 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.40 2k3f h ARG 102 CO 0.21 0.12 0.33 -0.22 0.56 0.00 0.00 179.97 180.97 2k3f h LYS 103 N 0.19 0.63 -0.28 0.04 3.11 -1.97 -0.38 116.57 117.91 2k3f h LYS 103 Ca 0.62 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.42 2k3f h LYS 103 Cb 1.33 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 2k3f h LYS 103 CO -0.69 0.42 0.18 0.37 -2.81 0.00 0.00 179.45 176.92 2k3f h GLN 104 N 0.65 0.36 -0.74 1.90 5.75 -0.79 -1.45 115.11 120.78 2k3f h GLN 104 Ca 0.25 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.84 2k3f h GLN 104 Cb 0.09 -0.08 -0.13 0.00 1.07 0.00 0.00 27.48 28.43 2k3f h GLN 104 CO -0.13 0.24 -0.40 0.82 -2.65 0.00 0.00 178.83 176.71 2k3f h ILE 105 N 0.37 0.08 -0.19 2.39 1.08 -0.50 -2.19 117.51 118.55 2k3f h ILE 105 Ca 0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 2k3f h ILE 105 Cb -0.04 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 33.71 2k3f h ILE 105 CO -0.02 0.00 -0.44 -0.08 -0.69 0.00 0.00 178.15 176.92 2k3f h GLU 106 N -0.12 -0.45 0.33 2.37 4.81 -0.09 0.59 114.58 122.02 2k3f h GLU 106 Ca 0.25 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2k3f h GLU 106 Cb 0.56 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2k3f h GLU 106 CO -0.80 -0.30 -0.51 0.93 -0.73 0.00 0.00 179.01 177.61 2k3f h GLU 107 N -0.46 -0.85 -0.59 1.92 4.39 -0.96 0.70 114.58 118.72 2k3f h GLU 107 Ca 0.08 0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.96 2k3f h GLU 107 Cb 0.62 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.35 2k3f h GLU 107 CO -0.44 -0.57 -0.24 0.82 -1.16 0.00 0.00 179.01 177.42 2k3f h ILE 108 N -0.88 0.28 -0.99 3.13 1.08 -1.25 0.62 117.51 119.50 2k3f h ILE 108 Ca -0.03 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.58 2k3f h ILE 108 Cb 0.82 0.28 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 2k3f h ILE 108 CO -0.16 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 177.90 2k3f h ALA 109 N 1.32 1.54 0.16 1.87 0.00 0.13 -2.77 119.26 121.51 2k3f h ALA 109 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k3f h ALA 109 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k3f h ALA 109 CO -0.65 0.11 -0.08 0.87 0.00 0.00 0.00 179.25 179.50 2k3f h LYS 110 N 0.88 -0.21 -0.72 0.00 1.57 0.25 -2.51 116.57 115.83 2k3f h LYS 110 Ca 0.52 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.42 2k3f h LYS 110 Cb 0.63 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 2k3f h LYS 110 CO -0.31 0.22 0.48 0.00 -0.57 0.00 0.00 179.45 179.27 2k3f h THR 111 N -0.76 0.91 -0.53 -0.16 1.03 -0.98 -1.22 112.91 111.21 2k3f h THR 111 Ca -0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 2k3f h THR 111 Cb 0.52 0.28 0.00 0.00 -1.07 0.00 0.00 68.15 67.88 2k3f h THR 111 CO 0.04 0.11 0.00 0.29 -0.01 0.00 0.00 175.52 175.94 2k3f n LYS 112 N -4.49 3.96 -0.25 0.00 5.02 -1.05 -4.56 118.16 116.78 2k3f n LYS 112 Ca 0.12 -2.93 0.06 0.00 -2.02 0.00 0.00 58.31 53.54 2k3f n LYS 112 Cb 0.37 -1.98 0.19 0.00 -0.02 0.00 0.00 35.03 33.58 2k3f n LYS 112 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2k3f h MET 113 N 3.49 0.30 0.00 1.97 4.05 -0.74 0.69 114.93 124.68 2k3f h MET 113 Ca 0.00 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 2k3f h MET 113 Cb 1.60 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.33 2k3f h MET 113 CO 0.31 0.20 -0.13 -1.00 0.23 0.00 0.00 176.91 176.52 2k3f h PRO 114 N 0.31 0.00 0.00 0.39 0.13 -1.82 -2.37 132.00 128.64 2k3f h PRO 114 Ca 0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2k3f h PRO 114 Cb 0.71 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 2k3f h PRO 114 CO -0.49 0.13 -1.14 -0.44 -0.23 0.00 0.00 178.00 175.83 2k3f h ASP 115 N 0.00 0.00 0.07 1.44 3.32 -1.54 -3.34 116.42 116.38 2k3f h ASP 115 Ca -0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2k3f h ASP 115 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k3f h ASP 115 CO 0.02 1.41 0.00 0.18 -1.72 0.00 0.00 179.24 179.12 2k3f n LEU 116 N -4.46 0.00 -3.42 1.55 4.32 0.12 -4.82 117.00 110.30 2k3f n LEU 116 Ca -0.29 0.18 -0.17 0.00 -0.02 0.00 0.00 56.01 55.71 2k3f n LEU 116 Cb 0.64 -0.18 0.08 0.00 -1.62 0.00 0.00 43.42 42.34 2k3f n LEU 116 CO 0.18 -0.14 0.09 -3.20 -1.22 0.00 0.00 177.39 173.10 2k3f n ASN 117 N -1.18 -2.64 -4.64 -1.43 5.15 -1.08 -4.91 115.26 104.54 2k3f n ASN 117 Ca 0.04 -0.65 -0.43 0.00 -0.60 0.00 0.00 54.58 52.94 2k3f n ASN 117 Cb 0.04 -5.07 -0.02 0.00 -0.53 0.00 0.00 39.78 34.19 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3f s ALA 118 N -3.38 3.51 0.15 5.20 0.00 -0.91 -4.88 121.76 121.45 2k3f s ALA 118 Ca 0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 2k3f s ALA 118 Cb -0.01 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.51 2k3f s ALA 118 CO 0.74 -1.44 1.62 -0.91 0.00 0.00 0.00 175.76 175.77 2k3f h ASN 119 N 8.07 0.87 -4.26 0.00 4.21 -1.91 -3.45 115.58 119.10 2k3f h ASN 119 Ca -0.21 -0.29 -0.13 0.00 1.21 0.00 0.00 56.30 56.88 2k3f h ASN 119 Cb 1.06 -0.23 -0.23 0.00 -1.12 0.00 0.00 38.32 37.80 2k3f h ASN 119 CO 1.01 0.95 -0.29 -0.94 -1.29 0.00 0.00 177.43 176.87 2k3f s SER 120 N -6.36 -0.31 0.46 5.81 1.04 -1.26 -5.06 113.70 108.03 2k3f s SER 120 Ca -0.12 0.49 0.22 0.00 0.48 0.00 0.00 55.95 57.02 2k3f s SER 120 Cb 0.12 0.57 1.23 0.00 0.10 0.00 0.00 66.02 68.04 2k3f s SER 120 CO 0.82 -0.24 1.88 0.25 0.98 0.00 0.00 173.24 176.94 2k3f h LEU 121 N 4.97 0.25 -1.23 2.42 5.85 -1.95 0.18 115.31 125.80 2k3f h LEU 121 Ca -0.28 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.70 2k3f h LEU 121 Cb 1.18 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 2k3f h LEU 121 CO 0.33 0.10 0.63 -0.33 -0.34 0.00 0.00 178.44 178.83 2k3f h GLU 122 N 0.25 0.52 0.01 1.25 5.08 -1.98 0.52 114.58 120.23 2k3f h GLU 122 Ca 0.43 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2k3f h GLU 122 Cb 1.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k3f h GLU 122 CO -0.11 0.35 -0.01 0.00 -1.00 0.00 0.00 179.01 178.24 2k3f h ALA 123 N 1.64 -0.01 -0.91 3.43 0.00 -1.07 -2.86 119.26 119.47 2k3f h ALA 123 Ca 0.58 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.35 2k3f h ALA 123 Cb 1.22 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2k3f h ALA 123 CO -0.33 -0.30 0.59 0.00 0.00 0.00 0.00 179.25 179.21 2k3f h ALA 124 N 0.56 1.50 -0.84 0.00 0.00 -0.95 -0.65 119.26 118.89 2k3f h ALA 124 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2k3f h ALA 124 Cb 0.41 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2k3f h ALA 124 CO 0.00 0.36 0.55 0.52 0.00 0.00 0.00 179.25 180.68 2k3f h MET 125 N 1.04 0.77 -0.13 0.00 2.07 -0.03 -1.70 114.93 116.95 2k3f h MET 125 Ca 0.39 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.97 2k3f h MET 125 Cb 0.19 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 2k3f h MET 125 CO -0.15 0.51 0.06 0.87 1.07 0.00 0.00 176.91 179.27 2k3f h LYS 126 N 0.79 0.20 0.09 1.72 1.79 -0.89 -0.39 116.57 119.89 2k3f h LYS 126 Ca 0.39 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.83 2k3f h LYS 126 Cb 0.44 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2k3f h LYS 126 CO -0.16 0.29 -0.39 0.82 -1.08 0.00 0.00 179.45 178.93 2k3f h ILE 127 N 0.07 0.00 -0.16 1.86 2.04 -0.99 0.33 117.51 120.65 2k3f h ILE 127 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2k3f h ILE 127 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 2k3f h ILE 127 CO -0.00 0.00 -0.42 0.40 0.00 0.00 0.00 178.15 178.13 2k3f h ILE 128 N -0.56 0.15 -0.49 -0.67 1.08 -1.31 0.60 117.51 116.30 2k3f h ILE 128 Ca -0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 2k3f h ILE 128 Cb 0.56 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 2k3f h ILE 128 CO -0.21 0.00 0.12 -0.33 -0.69 0.00 0.00 178.15 177.04 2k3f h GLU 129 N -0.47 0.25 -0.16 2.37 5.08 -0.99 0.33 114.58 120.99 2k3f h GLU 129 Ca 0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2k3f h GLU 129 Cb 0.62 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k3f h GLU 129 CO -0.41 0.17 -0.08 0.78 -1.00 0.00 0.00 179.01 178.46 2k3f h GLY 130 N 0.26 0.36 -0.23 -3.84 0.00 0.70 0.44 103.07 100.78 2k3f h GLY 130 Ca 0.24 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2k3f h GLY 130 CO -0.30 0.30 -0.54 -0.84 0.00 0.00 0.00 176.54 175.16 2k3f h THR 131 N 0.00 0.00 -0.47 4.70 2.02 0.36 0.50 112.91 120.02 2k3f h THR 131 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 2k3f h THR 131 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2k3f h THR 131 CO 0.02 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.64 2k3f h ALA 132 N -0.25 0.00 -0.47 6.16 0.00 0.07 0.13 119.26 124.90 2k3f h ALA 132 Ca 0.04 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2k3f h ALA 132 Cb 0.63 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2k3f h ALA 132 CO -0.48 -0.63 -0.13 0.87 0.00 0.00 0.00 179.25 178.87 2k3f h LYS 133 N -0.17 -0.02 -0.09 0.00 1.57 0.27 0.72 116.57 118.86 2k3f h LYS 133 Ca 0.21 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2k3f h LYS 133 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2k3f h LYS 133 CO -0.57 -0.01 -0.27 0.77 -0.57 0.00 0.00 179.45 178.79 2k3f h SER 134 N -0.02 0.15 -0.02 0.86 0.02 0.19 -2.73 113.55 112.00 2k3f h SER 134 Ca 0.23 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2k3f h SER 134 Cb 0.37 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k3f h SER 134 CO -0.50 0.43 0.00 0.23 -1.14 0.00 0.00 176.83 175.85 2k3f n MET 135 N -4.17 1.10 -0.95 3.45 2.81 0.34 -4.86 117.12 114.84 2k3f n MET 135 Ca -0.01 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 2k3f n MET 135 Cb 0.36 -1.31 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 0.84 0.42 3.57 3.03 0.00 -0.94 -4.78 105.19 107.33 2k3f n GLY 136 Ca 0.14 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 4.52 0.39 -0.61 1.01 0.09 -0.87 121.20 123.73 2k3f s ILE 137 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2k3f s ILE 137 Cb 0.00 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2k3f s ILE 137 CO 0.00 0.44 0.69 -1.83 0.00 0.00 0.00 174.94 174.24 2k3f s GLU 138 N 0.65 3.62 -0.10 2.79 -1.05 -1.13 -3.44 118.70 120.04 2k3f s GLU 138 Ca 0.02 0.16 0.02 0.00 -0.15 0.00 0.00 54.97 55.02 2k3f s GLU 138 Cb -0.13 -2.49 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 2k3f s GLU 138 CO 0.02 -0.01 -0.18 0.14 0.95 0.00 0.00 175.26 176.19 2k3f s VAL 139 N -2.41 2.67 -0.46 1.83 -7.23 -1.26 -0.65 120.40 112.88 2k3f s VAL 139 Ca 0.47 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.90 2k3f s VAL 139 Cb -0.10 -2.07 0.25 0.00 0.56 0.00 0.00 36.38 35.02 2k3f s VAL 139 CO 0.36 0.55 0.60 1.33 -0.31 0.00 0.00 175.10 177.63 2k3f n VAL 140 N 3.28 0.25 0.00 1.32 0.24 0.36 -4.79 118.33 118.98 2k3f n VAL 140 Ca -0.18 -4.40 0.00 0.00 -2.04 0.00 0.00 64.34 57.72 2k3f n VAL 140 Cb 0.53 -1.95 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 2k3f n VAL 140 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02