#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 3.37 -1.79 3.04 0.00 -1.26 -4.89 120.51 118.99 2k3f n ALA 2 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 2k3f n ALA 2 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.10 3.68 -0.85 0.00 1.02 -1.26 -4.95 119.74 114.27 2k3f s LYS 3 Ca 0.07 0.98 -0.25 0.00 0.02 0.00 0.00 55.97 56.79 2k3f s LYS 3 Cb 0.15 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 2k3f s LYS 3 CO 0.74 -0.50 1.61 -1.59 -0.92 0.00 0.00 175.35 174.69 2k3f s LYS 4 N -4.32 3.05 0.31 1.68 0.00 -1.26 -4.97 119.74 114.24 2k3f s LYS 4 Ca 0.59 -0.37 -0.28 0.00 0.00 0.00 0.00 55.97 55.91 2k3f s LYS 4 Cb -0.12 -4.82 -0.09 0.00 0.00 0.00 0.00 37.83 32.80 2k3f s LYS 4 CO 0.38 -2.59 1.11 0.08 0.00 0.00 0.00 175.35 174.33 2k3f s VAL 5 N 7.23 3.46 -0.17 1.79 1.01 -1.26 0.48 120.40 132.93 2k3f s VAL 5 Ca 0.53 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.86 2k3f s VAL 5 Cb -0.06 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 2k3f s VAL 5 CO 0.04 0.27 -0.19 0.00 0.00 0.00 0.00 175.10 175.22 2k3f n ALA 6 N 0.88 1.76 -3.41 5.51 0.00 0.34 -4.46 120.51 121.13 2k3f n ALA 6 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 2k3f n ALA 6 Cb 0.46 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.33 -1.50 -0.08 0.00 0.00 -0.57 -4.99 121.76 112.30 2k3f s ALA 7 Ca -0.24 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 2k3f s ALA 7 Cb 0.08 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2k3f s ALA 7 CO 0.34 -0.43 0.44 -0.65 0.00 0.00 0.00 175.76 175.47 2k3f s GLN 8 N -1.78 4.22 -0.61 0.00 -1.52 -1.26 -0.22 119.66 118.49 2k3f s GLN 8 Ca -0.09 0.42 0.04 0.00 -1.95 0.00 0.00 55.36 53.78 2k3f s GLN 8 Cb -0.01 -3.37 0.16 0.00 -0.22 0.00 0.00 33.01 29.57 2k3f s GLN 8 CO 0.04 0.33 0.40 0.42 -0.25 0.00 0.00 175.29 176.24 2k3f s ILE 9 N 0.07 2.42 0.08 1.08 -1.09 0.21 -4.91 121.20 119.06 2k3f s ILE 9 Ca 0.24 -3.75 -0.30 0.00 -2.23 0.00 0.00 60.65 54.62 2k3f s ILE 9 Cb -0.16 -2.62 -0.05 0.00 -1.58 0.00 0.00 42.46 38.05 2k3f s ILE 9 CO 0.11 -0.98 1.07 -0.54 -1.23 0.00 0.00 174.94 173.37 2k3f s LYS 10 N -0.88 4.56 -0.27 2.79 1.02 -1.26 -0.76 119.74 124.94 2k3f s LYS 10 Ca 0.23 1.60 -0.12 0.00 0.02 0.00 0.00 55.97 57.70 2k3f s LYS 10 Cb -0.10 -3.37 0.10 0.00 -0.52 0.00 0.00 37.83 33.94 2k3f s LYS 10 CO -0.12 -0.03 0.63 -0.48 -0.92 0.00 0.00 175.35 174.43 2k3f s LEU 11 N 0.51 -0.92 -0.21 3.17 0.05 -0.80 -4.96 118.68 115.53 2k3f s LEU 11 Ca 0.52 1.44 -0.26 0.00 0.05 0.00 0.00 54.13 55.88 2k3f s LEU 11 Cb -0.26 2.18 -0.01 0.00 -2.05 0.00 0.00 46.19 46.06 2k3f s LEU 11 CO 0.30 -0.23 0.88 -1.10 -0.55 0.00 0.00 176.35 175.66 2k3f s GLN 12 N 2.15 4.25 0.01 1.48 -0.21 -1.26 -2.43 119.66 123.65 2k3f s GLN 12 Ca -0.08 1.08 0.01 0.00 0.02 0.00 0.00 55.36 56.38 2k3f s GLN 12 Cb -0.08 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.30 2k3f s GLN 12 CO -0.18 -0.46 -0.03 -0.51 -2.12 0.00 0.00 175.29 171.98 2k3f s LEU 13 N 2.63 2.11 0.09 2.90 1.43 0.16 -4.89 118.68 123.11 2k3f s LEU 13 Ca 0.39 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 2k3f s LEU 13 Cb -0.16 -0.05 -0.08 0.00 0.03 0.00 0.00 46.19 45.93 2k3f s LEU 13 CO 0.09 -0.10 1.56 -2.84 0.23 0.00 0.00 176.35 175.29 2k3f s PRO 14 N -0.68 4.23 0.16 1.29 0.02 -1.22 0.11 135.00 138.91 2k3f s PRO 14 Ca -0.06 2.26 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 2k3f s PRO 14 Cb -0.05 -3.44 -0.11 0.00 0.02 0.00 0.00 34.50 30.93 2k3f s PRO 14 CO -0.00 -0.64 1.69 0.00 -0.33 0.00 0.00 177.00 177.71 2k3f s ALA 15 N 2.03 3.82 0.00 -1.55 0.00 0.38 -0.24 121.76 126.20 2k3f s ALA 15 Ca 0.70 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.11 2k3f s ALA 15 Cb -0.39 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2k3f s ALA 15 CO 0.31 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2k3f n GLY 16 N 3.96 1.13 2.57 0.00 0.00 -1.25 -0.44 105.19 111.16 2k3f n GLY 16 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.10 0.17 -0.29 1.61 2.47 0.67 -4.98 119.74 119.28 2k3f s LYS 17 Ca 0.00 -0.39 -0.16 0.00 -1.56 0.00 0.00 55.97 53.86 2k3f s LYS 17 Cb 0.00 -1.29 0.15 0.00 -1.46 0.00 0.00 37.83 35.23 2k3f s LYS 17 CO 0.00 -0.93 1.00 0.00 0.16 0.00 0.00 175.35 175.59 2k3f s ALA 18 N 2.13 -2.33 0.00 3.13 0.00 -1.26 -3.44 121.76 119.99 2k3f s ALA 18 Ca 0.07 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2k3f s ALA 18 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2k3f s ALA 18 CO -0.30 -0.36 0.00 -2.37 0.00 0.00 0.00 175.76 172.73 2k3f n THR 19 N 3.68 0.00 -3.84 0.00 5.66 -1.26 -4.68 114.28 113.85 2k3f n THR 19 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 2k3f n THR 19 Cb 0.57 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 2k3f n THR 19 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2k3f s PRO 20 N -1.49 3.85 0.00 1.09 0.04 -1.26 -4.66 135.00 132.57 2k3f s PRO 20 Ca 0.00 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.65 2k3f s PRO 20 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2k3f s PRO 20 CO 0.00 0.02 0.00 0.00 0.04 0.00 0.00 177.00 177.06 2k3f n ALA 21 N 4.33 0.00 -0.12 8.56 0.00 -1.26 -3.65 120.51 128.37 2k3f n ALA 21 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 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 0.00 -0.09 0.00 0.00 -0.01 -1.26 0.15 135.00 133.79 2k3f n PRO 22 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 63.50 63.95 2k3f n PRO 22 Cb 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 33.50 32.80 2k3f n PRO 22 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2k3f n PRO 23 N -4.43 0.00 0.19 0.52 -0.04 -1.24 -4.64 135.00 125.36 2k3f n PRO 23 Ca 0.02 0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 2k3f n PRO 23 Cb 0.11 -0.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.46 0.00 0.52 2.07 -1.25 -2.46 116.25 115.59 2k3f h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k3f h VAL 24 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2k3f h VAL 24 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2k3f n GLY 25 N -1.38 -2.98 0.29 2.17 0.00 0.40 -1.63 105.19 102.06 2k3f n GLY 25 Ca -0.09 0.37 0.06 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 0.07 0.00 1.61 0.11 -1.69 -0.09 132.00 132.01 2k3f h PRO 26 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k3f h PRO 26 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2k3f h PRO 26 CO 0.00 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 177.83 2k3f n ALA 27 N -3.05 0.00 0.00 -0.75 0.00 -0.72 -2.77 120.51 113.22 2k3f n ALA 27 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 2k3f n ALA 27 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 0.84 -0.67 0.00 -0.00 -1.41 -3.33 115.31 110.74 2k3f h LEU 28 Ca 0.00 -0.57 -0.10 0.00 -0.00 0.00 0.00 57.88 57.21 2k3f h LEU 28 Cb 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 2k3f h LEU 28 CO 0.00 1.36 -0.02 1.23 -0.00 0.00 0.00 178.44 181.02 2k3f h GLY 29 N 0.70 1.10 1.72 0.17 0.00 -1.15 -0.44 103.07 105.17 2k3f h GLY 29 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2k3f h GLY 29 CO 0.16 0.74 0.00 -0.18 0.00 0.00 0.00 176.54 177.26 2k3f n GLN 30 N -4.18 0.11 -1.00 4.80 7.27 -0.38 0.81 117.38 124.81 2k3f n GLN 30 Ca 0.03 0.22 -0.02 0.00 0.07 0.00 0.00 57.00 57.30 2k3f n GLN 30 Cb 0.35 -1.50 0.34 0.00 2.41 0.00 0.00 30.24 31.84 2k3f n GLN 30 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2k3f n HIS 31 N -1.36 2.39 -0.04 3.69 8.25 -0.19 -4.90 115.22 123.06 2k3f n HIS 31 Ca 0.05 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 2k3f n HIS 31 Cb 0.11 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.57 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 0.11 0.47 3.83 -1.41 0.00 0.24 -4.99 105.19 103.44 2k3f n GLY 32 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.18 4.52 -0.66 1.61 1.01 -0.99 -4.90 120.40 118.80 2k3f s VAL 33 Ca 0.00 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 2k3f s VAL 33 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2k3f s VAL 33 CO 0.00 -0.15 1.82 0.21 0.00 0.00 0.00 175.10 176.98 2k3f s ASN 34 N -2.10 5.34 0.38 3.32 3.84 -1.26 -3.91 114.94 120.55 2k3f s ASN 34 Ca 0.55 0.13 0.12 0.00 0.21 0.00 0.00 52.86 53.86 2k3f s ASN 34 Cb -0.11 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.95 2k3f s ASN 34 CO 0.17 -2.37 1.88 0.40 -2.79 0.00 0.00 177.10 174.39 2k3f h ILE 35 N 6.86 0.80 0.21 -5.21 1.08 -1.93 0.67 117.51 119.99 2k3f h ILE 35 Ca -0.21 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2k3f h ILE 35 Cb 1.13 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2k3f h ILE 35 CO 1.23 0.11 -0.10 0.24 -0.69 0.00 0.00 178.15 178.93 2k3f h MET 36 N 0.59 -0.27 -0.92 2.37 2.86 -1.88 0.56 114.93 118.23 2k3f h MET 36 Ca 0.44 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 58.17 2k3f h MET 36 Cb 0.81 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.47 2k3f h MET 36 CO -0.19 0.01 0.60 0.93 1.06 0.00 0.00 176.91 179.32 2k3f h GLU 37 N -0.54 0.99 0.68 1.72 4.39 -1.80 0.64 114.58 120.66 2k3f h GLU 37 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2k3f h GLU 37 Cb 0.40 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2k3f h GLU 37 CO 0.05 0.65 -0.44 0.35 -1.16 0.00 0.00 179.01 178.46 2k3f h PHE 38 N 1.02 -1.17 0.09 4.33 3.57 -0.68 -2.26 116.94 121.84 2k3f h PHE 38 Ca 0.41 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.91 2k3f h PHE 38 Cb 0.26 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2k3f h PHE 38 CO -0.00 -0.65 -0.14 0.00 -2.23 0.00 0.00 178.31 175.29 2k3f h LYS 40 N -0.27 0.00 0.18 0.00 3.11 0.17 0.94 116.57 120.70 2k3f h LYS 40 Ca 0.02 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 2k3f h LYS 40 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2k3f h LYS 40 CO -0.07 0.06 -0.09 0.00 -2.81 0.00 0.00 179.45 176.54 2k3f h ARG 41 N 0.00 -0.24 -0.61 1.90 3.08 -0.70 -3.15 114.38 114.67 2k3f h ARG 41 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2k3f h ARG 41 Cb 0.37 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2k3f h ARG 41 CO 0.01 -0.16 0.24 0.35 -1.07 0.00 0.00 179.97 179.34 2k3f h PHE 42 N -0.68 0.43 0.11 3.04 3.57 0.62 0.23 116.94 124.26 2k3f h PHE 42 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k3f h PHE 42 Cb 0.19 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2k3f h PHE 42 CO 0.03 0.13 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.23 2k3f h ASN 43 N 0.44 -0.24 -0.73 0.41 -0.26 -1.02 0.44 115.58 114.62 2k3f h ASN 43 Ca 0.30 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 2k3f h ASN 43 Cb 0.35 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.66 2k3f h ASN 43 CO -0.28 -0.14 0.29 0.00 -1.06 0.00 0.00 177.43 176.23 2k3f h ALA 44 N 0.67 0.95 -0.53 -0.83 0.00 -1.17 -0.24 119.26 118.11 2k3f h ALA 44 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2k3f h ALA 44 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k3f h ALA 44 CO -0.02 0.57 -0.09 0.93 0.00 0.00 0.00 179.25 180.64 2k3f h GLU 45 N 1.05 0.99 -0.02 0.00 5.08 -0.11 -3.06 114.58 118.50 2k3f h GLU 45 Ca 0.24 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k3f h GLU 45 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k3f h GLU 45 CO -0.02 1.03 -0.02 0.25 -1.00 0.00 0.00 179.01 179.24 2k3f n THR 46 N -4.15 0.00 -0.34 1.13 -2.24 0.15 -4.40 114.28 104.42 2k3f n THR 46 Ca 0.02 -0.29 0.21 0.00 -2.27 0.00 0.00 64.05 61.71 2k3f n THR 46 Cb 0.39 0.70 0.44 0.00 -2.10 0.00 0.00 70.33 69.76 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 4.37 1.91 -0.00 6.98 0.00 -0.93 0.13 119.26 131.72 2k3f h ALA 47 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2k3f h ALA 47 Cb 0.60 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k3f h ALA 47 CO 0.00 -0.44 -0.89 -0.44 0.00 0.00 0.00 179.25 177.48 2k3f h ASP 48 N 0.46 0.38 -0.53 0.00 3.32 -1.83 -3.15 116.42 115.08 2k3f h ASP 48 Ca 0.68 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2k3f h ASP 48 Cb 1.45 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2k3f h ASP 48 CO -0.51 1.10 0.00 0.29 -1.72 0.00 0.00 179.24 178.40 2k3f n LYS 49 N -3.71 3.98 -1.58 3.56 5.02 0.32 -4.99 118.16 120.77 2k3f n LYS 49 Ca -0.05 -2.64 -0.41 0.00 -2.02 0.00 0.00 58.31 53.20 2k3f n LYS 49 Cb 0.81 -2.03 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.72 -0.13 -0.12 7.82 0.00 -0.44 -3.49 120.51 124.87 2k3f n ALA 50 Ca 0.23 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2k3f n ALA 50 Cb 0.96 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.32 0.93 2.77 0.00 0.00 0.42 -4.94 105.19 105.70 2k3f n GLY 51 Ca 0.11 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.50 0.23 -0.81 1.61 1.00 -1.23 -4.89 119.30 114.71 2k3f s MET 52 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 55.69 55.60 2k3f s MET 52 Cb 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 34.83 34.21 2k3f s MET 52 CO 0.00 -0.21 2.09 0.42 0.00 0.00 0.00 175.02 177.32 2k3f s ILE 53 N 1.46 3.29 0.09 2.53 -1.09 -1.26 0.14 121.20 126.37 2k3f s ILE 53 Ca -0.04 -0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 57.94 2k3f s ILE 53 Cb -0.13 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2k3f s ILE 53 CO -0.03 -0.63 0.83 -0.76 -1.23 0.00 0.00 174.94 173.12 2k3f s LEU 54 N 11.41 4.50 -0.45 2.97 1.43 0.29 -4.75 118.68 134.07 2k3f s LEU 54 Ca 0.78 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2k3f s LEU 54 Cb -0.10 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.78 2k3f s LEU 54 CO 0.06 0.04 1.38 -2.84 0.23 0.00 0.00 176.35 175.22 2k3f s PRO 55 N -0.30 3.53 0.15 1.29 0.02 -1.26 -0.67 135.00 137.76 2k3f s PRO 55 Ca 0.40 0.78 0.03 0.00 0.02 0.00 0.00 61.00 62.23 2k3f s PRO 55 Cb -0.22 -4.03 -0.04 0.00 0.02 0.00 0.00 34.50 30.23 2k3f s PRO 55 CO 0.26 -1.63 0.27 0.54 -0.33 0.00 0.00 177.00 176.11 2k3f s VAL 56 N 5.47 5.24 -0.13 3.83 0.11 -1.02 0.12 120.40 134.03 2k3f s VAL 56 Ca 0.58 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2k3f s VAL 56 Cb -0.12 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2k3f s VAL 56 CO 0.31 -0.10 0.01 -0.69 -3.33 0.00 0.00 175.10 171.30 2k3f s VAL 57 N -1.75 0.47 -0.05 2.04 1.01 0.04 -1.90 120.40 120.26 2k3f s VAL 57 Ca 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2k3f s VAL 57 Cb -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2k3f s VAL 57 CO 0.28 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 2k3f s ILE 58 N 1.91 4.29 -0.34 2.22 1.01 0.06 -1.02 121.20 129.33 2k3f s ILE 58 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2k3f s ILE 58 Cb -0.14 -2.85 0.10 0.00 0.01 0.00 0.00 42.46 39.58 2k3f s ILE 58 CO -0.07 0.51 0.08 -0.89 0.00 0.00 0.00 174.94 174.58 2k3f s THR 59 N -0.97 1.74 0.07 2.92 2.01 0.11 0.66 115.64 122.18 2k3f s THR 59 Ca 0.16 -2.05 -0.19 0.00 0.31 0.00 0.00 61.69 59.92 2k3f s THR 59 Cb -0.11 -2.29 -0.07 0.00 0.01 0.00 0.00 72.50 70.04 2k3f s THR 59 CO 0.06 -0.65 0.56 0.54 -0.69 0.00 0.00 174.62 174.43 2k3f s VAL 60 N 1.09 4.76 0.28 3.82 0.11 0.69 -2.37 120.40 128.78 2k3f s VAL 60 Ca 0.11 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.38 2k3f s VAL 60 Cb -0.19 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2k3f s VAL 60 CO -0.14 0.55 0.42 -0.31 -3.33 0.00 0.00 175.10 172.29 2k3f s TYR 61 N -1.12 3.42 0.55 1.54 2.02 0.46 0.13 117.35 124.34 2k3f s TYR 61 Ca 0.29 0.05 0.29 0.00 -0.37 0.00 0.00 57.07 57.33 2k3f s TYR 61 Cb -0.19 -1.71 1.59 0.00 -0.40 0.00 0.00 41.96 41.25 2k3f s TYR 61 CO 0.19 0.30 1.88 0.93 -1.57 0.00 0.00 175.55 177.28 2k3f h GLU 62 N 1.02 0.00 0.00 -0.62 5.08 -0.19 0.15 114.58 120.02 2k3f h GLU 62 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2k3f h GLU 62 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k3f h GLU 62 CO 0.60 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.14 2k3f n ASP 63 N -2.78 0.59 0.00 1.42 2.03 -1.26 -4.83 116.55 111.72 2k3f n ASP 63 Ca -0.02 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2k3f n ASP 63 Cb 0.32 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 2k3f n ASP 63 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3f n LYS 64 N -2.09 0.00 -1.26 -0.67 4.76 0.52 -5.05 118.16 114.37 2k3f n LYS 64 Ca 0.04 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 2k3f n LYS 64 Cb 0.32 -2.13 0.21 0.00 -1.84 0.00 0.00 35.03 31.58 2k3f n LYS 64 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3f s SER 65 N -2.88 1.91 0.08 4.39 0.01 -1.24 -4.42 113.70 111.55 2k3f s SER 65 Ca 0.00 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 57.86 2k3f s SER 65 Cb 0.00 -1.13 0.06 0.00 0.21 0.00 0.00 66.02 65.16 2k3f s SER 65 CO 0.00 -3.53 0.76 2.22 0.41 0.00 0.00 173.24 173.11 2k3f n PHE 66 N -4.38 -0.87 -3.54 2.43 -1.74 -1.26 -0.41 117.46 107.69 2k3f n PHE 66 Ca 0.10 -0.76 -0.09 0.00 -0.56 0.00 0.00 57.45 56.14 2k3f n PHE 66 Cb 0.59 0.36 -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 -2.17 0.00 0.08 1.97 -4.23 -1.00 -4.95 115.64 105.34 2k3f s THR 67 Ca 0.17 -0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 2k3f s THR 67 Cb -0.02 -1.25 0.08 0.00 1.34 0.00 0.00 72.50 72.65 2k3f s THR 67 CO 0.02 0.00 0.70 0.72 -0.54 0.00 0.00 174.62 175.52 2k3f s PHE 68 N -3.56 -0.50 0.17 3.99 -0.71 -1.26 0.08 117.98 116.19 2k3f s PHE 68 Ca 0.05 0.43 0.06 0.00 -1.04 0.00 0.00 56.93 56.43 2k3f s PHE 68 Cb -0.02 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2k3f s PHE 68 CO -0.07 -0.72 -0.13 0.96 -1.34 0.00 0.00 175.22 173.91 2k3f s ILE 69 N -3.11 1.50 -0.16 -4.49 -4.36 -0.19 -4.94 121.20 105.46 2k3f s ILE 69 Ca 0.00 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 58.31 2k3f s ILE 69 Cb -0.01 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.80 2k3f s ILE 69 CO -0.08 -0.59 -0.09 -0.63 0.24 0.00 0.00 174.94 173.78 2k3f s ILE 70 N -2.88 3.27 -0.93 8.37 -1.09 -1.26 -0.78 121.20 125.90 2k3f s ILE 70 Ca 0.18 -0.57 -0.24 0.00 -2.23 0.00 0.00 60.65 57.79 2k3f s ILE 70 Cb -0.01 -2.41 0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2k3f s ILE 70 CO 0.04 0.49 1.39 -0.54 -1.23 0.00 0.00 174.94 175.10 2k3f s LYS 71 N 0.65 3.46 0.40 2.79 3.01 0.12 -4.83 119.74 125.34 2k3f s LYS 71 Ca -0.05 -0.84 0.07 0.00 -1.01 0.00 0.00 55.97 54.13 2k3f s LYS 71 Cb -0.15 -4.97 0.82 0.00 -1.01 0.00 0.00 37.83 32.53 2k3f s LYS 71 CO 0.02 -2.18 2.04 0.00 0.51 0.00 0.00 175.35 175.74 2k3f h THR 72 N 6.54 1.09 -0.91 2.17 1.03 -1.96 -3.38 112.91 117.49 2k3f h THR 72 Ca 0.04 -0.21 0.20 0.00 -0.01 0.00 0.00 66.41 66.43 2k3f h THR 72 Cb 1.02 0.42 -0.17 0.00 -1.07 0.00 0.00 68.15 68.36 2k3f h THR 72 CO 1.38 0.11 -0.17 1.55 -0.01 0.00 0.00 175.52 178.38 2k3f h PRO 73 N 0.62 0.01 -1.38 0.00 0.13 -1.88 -2.64 132.00 126.86 2k3f h PRO 73 Ca 0.19 -0.00 0.44 0.00 -0.87 0.00 0.00 66.00 65.76 2k3f h PRO 73 Cb -0.00 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2k3f h PRO 73 CO -0.04 0.01 0.91 -1.35 -0.23 0.00 0.00 178.00 177.29 2k3f h PRO 74 N 0.01 0.08 0.00 1.56 0.11 -2.02 -3.44 132.00 128.31 2k3f h PRO 74 Ca 0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2k3f h PRO 74 Cb 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2k3f h PRO 74 CO -0.92 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 176.93 2k3f n ALA 75 N -2.58 0.00 -0.21 -0.75 0.00 -1.00 -4.74 120.51 111.24 2k3f n ALA 75 Ca 0.37 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.83 2k3f n ALA 75 Cb 1.47 0.00 0.12 0.00 0.00 0.00 0.00 19.45 21.05 2k3f n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k3f h SER 76 N 0.00 -0.06 0.64 0.00 0.02 -1.88 0.66 113.55 112.92 2k3f h SER 76 Ca 0.00 0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2k3f h SER 76 Cb 0.00 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2k3f h SER 76 CO 0.00 -0.03 -0.58 2.19 -1.14 0.00 0.00 176.83 177.27 2k3f h PHE 77 N 0.22 0.00 0.00 3.45 -0.00 -1.94 -3.02 116.94 115.65 2k3f h PHE 77 Ca 0.34 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 58.10 2k3f h PHE 77 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.45 2k3f h PHE 77 CO -0.28 0.58 -1.27 1.25 -0.00 0.00 0.00 178.31 178.59 2k3f h LEU 78 N 0.00 0.00 -1.50 2.10 5.85 -1.24 -2.57 115.31 117.95 2k3f h LEU 78 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k3f h LEU 78 Cb 1.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2k3f h LEU 78 CO 0.08 0.82 0.36 -0.07 -0.34 0.00 0.00 178.44 179.28 2k3f h LEU 79 N 0.00 0.58 -0.33 2.25 -0.00 0.20 0.36 115.31 118.37 2k3f h LEU 79 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2k3f h LEU 79 Cb 1.75 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.27 2k3f h LEU 79 CO 0.08 0.41 0.00 1.17 -0.00 0.00 0.00 178.44 180.10 2k3f n LYS 80 N -4.46 0.10 0.00 1.13 4.81 -1.01 0.77 118.16 119.50 2k3f n LYS 80 Ca 0.06 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.73 2k3f n LYS 80 Cb 0.10 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.43 2k3f n LYS 80 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2k3f h LYS 81 N 0.00 -0.08 -0.01 1.64 1.63 0.11 -3.24 116.57 116.62 2k3f h LYS 81 Ca 0.00 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2k3f h LYS 81 Cb 0.32 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2k3f h LYS 81 CO 0.00 -0.05 -0.03 0.00 -3.45 0.00 0.00 179.45 175.92 2k3f h ALA 82 N 1.00 0.02 -2.34 5.00 0.00 -1.40 -3.47 119.26 118.06 2k3f h ALA 82 Ca 0.07 -0.32 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 2k3f h ALA 82 Cb 0.18 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.02 2k3f h ALA 82 CO -0.15 -0.15 0.41 0.00 0.00 0.00 0.00 179.25 179.36 2k3f s ALA 83 N -3.71 3.10 -0.05 0.00 0.00 0.23 -4.92 121.76 116.41 2k3f s ALA 83 Ca -0.17 -0.06 0.21 0.00 0.00 0.00 0.00 51.96 51.94 2k3f s ALA 83 Cb 0.01 -3.08 -0.31 0.00 0.00 0.00 0.00 23.12 19.74 2k3f s ALA 83 CO 0.69 -0.62 0.40 0.41 0.00 0.00 0.00 175.76 176.64 2k3f n GLY 84 N -2.58 -0.96 3.76 0.00 0.00 -1.26 -4.49 105.19 99.65 2k3f n GLY 84 Ca 0.06 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2k3f n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3f s ILE 85 N -3.31 2.47 -0.15 -0.61 -5.25 -1.26 -4.92 121.20 108.17 2k3f s ILE 85 Ca -0.08 0.38 0.06 0.00 -0.99 0.00 0.00 60.65 60.01 2k3f s ILE 85 Cb 0.12 -3.20 0.18 0.00 2.95 0.00 0.00 42.46 42.51 2k3f s ILE 85 CO 0.86 0.02 0.96 1.21 -1.79 0.00 0.00 174.94 176.19 2k3f n GLU 86 N -0.54 0.59 -0.26 0.37 2.13 -1.26 -4.72 120.64 116.95 2k3f n GLU 86 Ca 0.07 -0.53 0.00 0.00 0.66 0.00 0.00 57.16 57.36 2k3f n GLU 86 Cb 0.45 0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.34 2k3f n GLU 86 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k3f n LYS 87 N -0.67 0.00 0.00 5.31 2.85 -1.26 -4.94 118.16 119.46 2k3f n LYS 87 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2k3f n LYS 87 Cb 0.66 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.04 2k3f n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k3f n GLY 88 N 0.00 0.55 0.13 2.58 0.00 -1.26 -4.66 105.19 102.53 2k3f n GLY 88 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k3f n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k3f h SER 89 N 0.00 0.33 0.00 1.61 0.02 -1.92 -2.70 113.55 110.89 2k3f h SER 89 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2k3f h SER 89 Cb 0.42 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k3f h SER 89 CO 0.00 1.08 0.00 -1.54 -1.14 0.00 0.00 176.83 175.23 2k3f n SER 90 N -3.67 0.00 -3.02 3.07 3.41 -1.26 -4.42 113.62 107.72 2k3f n SER 90 Ca -0.05 -1.04 0.04 0.00 -0.26 0.00 0.00 58.87 57.56 2k3f n SER 90 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 2k3f n SER 90 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2k3f s GLU 91 N -2.00 0.17 0.47 4.33 2.12 -1.17 -5.19 118.70 117.43 2k3f s GLU 91 Ca 0.40 0.07 -0.08 0.00 0.36 0.00 0.00 54.97 55.71 2k3f s GLU 91 Cb 0.18 0.05 0.11 0.00 0.26 0.00 0.00 34.13 34.73 2k3f s GLU 91 CO 0.31 -0.29 0.63 -0.35 -0.54 0.00 0.00 175.26 175.02 2k3f n PRO 92 N 4.61 -0.60 0.02 4.30 -0.04 -1.03 -4.67 135.00 137.59 2k3f n PRO 92 Ca 0.08 -0.99 -0.10 0.00 -0.04 0.00 0.00 63.50 62.45 2k3f n PRO 92 Cb 0.60 -0.65 0.03 0.00 -0.04 0.00 0.00 33.50 33.44 2k3f n PRO 92 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k3f h LYS 93 N 0.00 0.52 0.00 0.54 1.79 -0.93 -3.45 116.57 115.03 2k3f h LYS 93 Ca -0.21 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2k3f h LYS 93 Cb 0.57 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2k3f h LYS 93 CO 0.15 0.99 0.00 -2.13 -1.08 0.00 0.00 179.45 177.38 2k3f n ARG 94 N -3.91 0.00 0.00 3.15 0.63 -1.26 -4.95 116.66 110.33 2k3f n ARG 94 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2k3f n ARG 94 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2k3f n ARG 94 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k3f n LYS 95 N -0.94 0.00 -3.84 -0.14 0.00 -1.26 -5.14 118.16 106.85 2k3f n LYS 95 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2k3f n LYS 95 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 2k3f n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2k3f s ILE 96 N 0.00 0.01 -0.01 0.58 1.01 -1.26 -4.90 121.20 116.63 2k3f s ILE 96 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 2k3f s ILE 96 Cb 0.00 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2k3f s ILE 96 CO 0.00 -0.04 -0.12 0.55 0.00 0.00 0.00 174.94 175.33 2k3f n VAL 97 N -0.39 1.17 -3.53 2.92 3.14 0.10 -0.29 118.33 121.44 2k3f n VAL 97 Ca -0.06 0.29 -0.08 0.00 -2.96 0.00 0.00 64.34 61.53 2k3f n VAL 97 Cb 0.61 -1.80 -0.02 0.00 -1.06 0.00 0.00 33.84 31.58 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 -4.18 -0.44 0.32 7.55 0.00 -1.22 -4.77 107.32 104.58 2k3f s GLY 98 Ca -0.10 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.51 2k3f s GLY 98 CO 0.15 0.28 0.35 -1.59 0.00 0.00 0.00 173.10 172.29 2k3f s LYS 99 N -3.16 1.76 0.00 2.90 0.00 -1.26 -2.76 119.74 117.21 2k3f s LYS 99 Ca 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 55.97 54.18 2k3f s LYS 99 Cb -0.01 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.19 2k3f s LYS 99 CO -0.08 -0.68 0.00 1.33 0.00 0.00 0.00 175.35 175.92 2k3f n VAL 100 N -0.56 0.00 -4.15 1.79 0.24 -1.06 -4.85 118.33 109.75 2k3f n VAL 100 Ca 0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 2k3f n VAL 100 Cb 0.62 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.81 3.85 0.31 3.34 -4.23 -1.25 0.82 115.64 115.67 2k3f s THR 101 Ca 0.00 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2k3f s THR 101 Cb 0.00 -2.84 0.34 0.00 1.34 0.00 0.00 72.50 71.34 2k3f s THR 101 CO 0.00 0.10 1.62 -0.09 -0.54 0.00 0.00 174.62 175.71 2k3f h ARG 102 N 3.40 0.15 -0.72 3.99 9.65 -0.40 0.13 114.38 130.58 2k3f h ARG 102 Ca -0.48 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.43 2k3f h ARG 102 Cb 1.17 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.67 2k3f h ARG 102 CO 0.58 0.10 0.45 -0.22 2.80 0.00 0.00 179.97 183.67 2k3f h LYS 103 N 0.16 0.84 -0.48 0.20 1.63 -1.81 0.11 116.57 117.21 2k3f h LYS 103 Ca 0.63 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 60.26 2k3f h LYS 103 Cb 1.36 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2k3f h LYS 103 CO -0.72 0.55 -0.14 1.96 -3.45 0.00 0.00 179.45 177.65 2k3f h GLN 104 N 0.86 0.91 -0.62 1.90 4.20 -1.29 -1.44 115.11 119.63 2k3f h GLN 104 Ca 0.29 -0.34 0.12 0.00 0.06 0.00 0.00 58.65 58.78 2k3f h GLN 104 Cb 0.05 -0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.65 2k3f h GLN 104 CO -0.12 0.99 -0.21 0.82 -0.67 0.00 0.00 178.83 179.64 2k3f h ILE 105 N 0.81 0.30 -0.41 2.54 1.08 -0.31 -2.96 117.51 118.57 2k3f h ILE 105 Ca 0.12 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.67 2k3f h ILE 105 Cb 0.68 0.30 -0.09 0.00 -3.07 0.00 0.00 36.82 34.64 2k3f h ILE 105 CO 0.05 0.00 -0.32 -0.08 -0.69 0.00 0.00 178.15 177.11 2k3f h GLU 106 N -0.05 -0.23 0.13 2.37 4.81 0.10 0.37 114.58 122.07 2k3f h GLU 106 Ca 0.29 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2k3f h GLU 106 Cb 0.50 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 2k3f h GLU 106 CO -0.66 -0.16 -0.44 0.93 -0.73 0.00 0.00 179.01 177.96 2k3f h GLU 107 N -0.24 -0.65 -0.38 1.92 5.08 -1.32 0.62 114.58 119.61 2k3f h GLU 107 Ca 0.18 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2k3f h GLU 107 Cb 0.53 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 2k3f h GLU 107 CO -0.54 -0.43 -0.56 0.82 -1.00 0.00 0.00 179.01 177.30 2k3f h ILE 108 N -0.67 0.00 -0.99 3.13 1.08 -1.33 -0.10 117.51 118.63 2k3f h ILE 108 Ca 0.02 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.71 2k3f h ILE 108 Cb 0.70 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.36 2k3f h ILE 108 CO -0.25 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 177.84 2k3f h ALA 109 N -0.07 2.02 0.39 1.87 0.00 0.68 -2.76 119.26 121.39 2k3f h ALA 109 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k3f h ALA 109 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k3f h ALA 109 CO -0.58 -0.38 -0.19 0.87 0.00 0.00 0.00 179.25 178.97 2k3f h LYS 110 N 0.53 -0.51 -0.72 0.00 1.57 0.17 -2.85 116.57 114.76 2k3f h LYS 110 Ca 0.55 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.49 2k3f h LYS 110 Cb 1.19 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 2k3f h LYS 110 CO -0.30 -0.27 0.48 0.00 -0.57 0.00 0.00 179.45 178.80 2k3f h THR 111 N -1.08 0.87 -0.53 -0.16 1.03 -0.90 -1.42 112.91 110.71 2k3f h THR 111 Ca -0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2k3f h THR 111 Cb 0.48 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 2k3f h THR 111 CO 0.09 0.09 0.00 2.29 -0.01 0.00 0.00 175.52 177.98 2k3f n LYS 112 N -4.49 2.55 -0.33 0.00 2.85 -1.06 -4.39 118.16 113.30 2k3f n LYS 112 Ca 0.13 -2.37 0.16 0.00 -1.05 0.00 0.00 58.31 55.17 2k3f n LYS 112 Cb 0.43 -1.53 0.35 0.00 -0.65 0.00 0.00 35.03 33.63 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 4.24 0.47 -0.28 -1.58 4.05 -1.00 0.19 114.93 121.02 2k3f h MET 113 Ca 0.00 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2k3f h MET 113 Cb 0.95 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 2k3f h MET 113 CO 0.00 0.31 0.19 -1.00 0.23 0.00 0.00 176.91 176.64 2k3f h PRO 114 N 0.48 0.32 0.02 0.39 0.13 -1.81 -2.67 132.00 128.88 2k3f h PRO 114 Ca 0.61 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 65.43 2k3f h PRO 114 Cb 1.16 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2k3f h PRO 114 CO -0.51 0.21 -1.59 -0.25 -0.23 0.00 0.00 178.00 175.64 2k3f n ASP 115 N -4.50 1.92 0.00 1.44 8.00 -0.07 -4.02 116.55 119.34 2k3f n ASP 115 Ca 0.02 0.36 0.03 0.00 0.71 0.00 0.00 54.79 55.90 2k3f n ASP 115 Cb 0.10 -0.92 0.16 0.00 -0.02 0.00 0.00 41.12 40.45 2k3f n ASP 115 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k3f n LEU 116 N -4.20 0.00 -3.74 0.64 4.32 0.46 -4.78 117.00 109.69 2k3f n LEU 116 Ca -0.35 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.39 2k3f n LEU 116 Cb 0.78 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.62 2k3f n LEU 116 CO 0.21 0.00 0.04 -0.46 -1.22 0.00 0.00 177.39 175.96 2k3f n ASN 117 N -0.90 -2.97 -4.65 -1.43 0.23 -1.17 -4.87 115.26 99.51 2k3f n ASN 117 Ca 0.04 -0.76 -0.43 0.00 -0.53 0.00 0.00 54.58 52.90 2k3f n ASN 117 Cb 0.02 -4.17 -0.02 0.00 -2.08 0.00 0.00 39.78 33.52 2k3f n ASN 117 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k3f s ALA 118 N -3.49 3.59 0.22 -2.53 0.00 -1.01 -4.89 121.76 113.64 2k3f s ALA 118 Ca 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 2k3f s ALA 118 Cb -0.14 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.61 2k3f s ALA 118 CO 0.80 -1.25 1.65 -0.91 0.00 0.00 0.00 175.76 176.05 2k3f h ASN 119 N 7.80 0.80 -4.43 0.00 -0.26 -1.90 -3.46 115.58 114.13 2k3f h ASN 119 Ca -0.20 -0.27 -0.08 0.00 -0.56 0.00 0.00 56.30 55.19 2k3f h ASN 119 Cb 1.06 -0.22 -0.21 0.00 -1.06 0.00 0.00 38.32 37.90 2k3f h ASN 119 CO 0.99 0.97 -0.04 -0.94 -1.06 0.00 0.00 177.43 177.35 2k3f s SER 120 N -6.72 -0.52 0.29 5.81 1.04 -1.26 -5.07 113.70 107.26 2k3f s SER 120 Ca -0.09 0.80 0.04 0.00 0.48 0.00 0.00 55.95 57.18 2k3f s SER 120 Cb 0.13 0.81 0.67 0.00 0.10 0.00 0.00 66.02 67.73 2k3f s SER 120 CO 0.83 -0.35 1.79 0.25 0.98 0.00 0.00 173.24 176.74 2k3f h LEU 121 N 4.39 0.78 -1.69 2.42 5.85 -1.94 0.61 115.31 125.73 2k3f h LEU 121 Ca -0.28 0.09 0.22 0.00 0.84 0.00 0.00 57.88 58.75 2k3f h LEU 121 Cb 1.16 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2k3f h LEU 121 CO 0.27 0.31 0.61 -0.33 -0.34 0.00 0.00 178.44 178.96 2k3f h GLU 122 N 0.79 0.24 -0.04 1.25 5.08 -1.98 0.55 114.58 120.47 2k3f h GLU 122 Ca 0.55 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2k3f h GLU 122 Cb 0.77 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k3f h GLU 122 CO -0.36 0.16 -0.01 0.00 -1.00 0.00 0.00 179.01 177.80 2k3f h ALA 123 N 1.60 0.06 -0.51 3.43 0.00 -1.30 -2.99 119.26 119.54 2k3f h ALA 123 Ca 0.45 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2k3f h ALA 123 Cb 1.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2k3f h ALA 123 CO -0.12 -0.25 0.34 0.00 0.00 0.00 0.00 179.25 179.23 2k3f h ALA 124 N 0.66 1.90 -0.94 0.00 0.00 -0.33 -0.78 119.26 119.77 2k3f h ALA 124 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2k3f h ALA 124 Cb 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2k3f h ALA 124 CO 0.00 0.01 0.61 0.52 0.00 0.00 0.00 179.25 180.39 2k3f h MET 125 N 0.45 0.98 0.64 0.00 2.07 -0.02 -2.11 114.93 116.94 2k3f h MET 125 Ca 0.22 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.76 2k3f h MET 125 Cb 0.31 -0.22 0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2k3f h MET 125 CO -0.06 0.65 -0.31 0.87 1.07 0.00 0.00 176.91 179.13 2k3f h LYS 126 N 1.01 -0.83 -0.01 1.72 1.79 -1.00 -0.60 116.57 118.66 2k3f h LYS 126 Ca 0.43 0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.99 2k3f h LYS 126 Cb 0.32 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 2k3f h LYS 126 CO -0.19 -0.53 -0.45 0.97 -1.08 0.00 0.00 179.45 178.18 2k3f h ILE 127 N -0.92 0.12 -0.08 1.86 -0.00 -1.30 0.18 117.51 117.36 2k3f h ILE 127 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 64.81 2k3f h ILE 127 Cb 0.68 0.12 -0.06 0.00 -0.00 0.00 0.00 36.82 37.55 2k3f h ILE 127 CO 0.14 0.00 -0.42 0.40 -0.00 0.00 0.00 178.15 178.27 2k3f h ILE 128 N -0.59 0.15 -0.91 2.19 1.08 -1.44 1.00 117.51 118.98 2k3f h ILE 128 Ca 0.04 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.65 2k3f h ILE 128 Cb 0.67 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.48 2k3f h ILE 128 CO -0.33 0.00 0.53 1.05 -0.69 0.00 0.00 178.15 178.71 2k3f h GLU 129 N -0.52 0.76 -0.10 2.37 -0.00 -0.84 0.52 114.58 116.77 2k3f h GLU 129 Ca 0.06 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.36 59.31 2k3f h GLU 129 Cb 0.64 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2k3f h GLU 129 CO -0.37 0.51 -0.20 0.78 -0.00 0.00 0.00 179.01 179.73 2k3f h GLY 130 N 0.79 0.34 -0.25 1.06 0.00 0.50 0.23 103.07 105.74 2k3f h GLY 130 Ca 0.48 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.43 2k3f h GLY 130 CO -0.31 0.36 -0.25 -0.84 0.00 0.00 0.00 176.54 175.50 2k3f h THR 131 N -0.13 0.00 -0.53 4.70 2.02 0.17 0.22 112.91 119.37 2k3f h THR 131 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2k3f h THR 131 Cb 0.78 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.09 2k3f h THR 131 CO 0.04 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.76 2k3f h ALA 132 N -0.64 0.28 -0.44 6.16 0.00 0.03 0.22 119.26 124.87 2k3f h ALA 132 Ca 0.04 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2k3f h ALA 132 Cb 0.24 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2k3f h ALA 132 CO -0.30 -0.48 -0.31 -0.22 0.00 0.00 0.00 179.25 177.94 2k3f h LYS 133 N -0.04 -0.21 -0.06 0.00 3.64 0.01 0.27 116.57 120.18 2k3f h LYS 133 Ca 0.25 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 2k3f h LYS 133 Cb 0.43 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2k3f h LYS 133 CO -0.57 -0.14 -0.28 0.77 -2.27 0.00 0.00 179.45 176.97 2k3f h SER 134 N -0.22 0.10 -0.01 4.20 0.02 0.22 -2.82 113.55 115.04 2k3f h SER 134 Ca 0.19 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2k3f h SER 134 Cb 0.53 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2k3f h SER 134 CO -0.56 0.38 0.00 0.23 -1.14 0.00 0.00 176.83 175.74 2k3f n MET 135 N -4.18 1.02 -0.73 3.45 2.81 0.07 -4.84 117.12 114.73 2k3f n MET 135 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2k3f n MET 135 Cb 0.35 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.73 0.72 3.69 3.03 0.00 -0.86 -4.77 105.19 107.74 2k3f n GLY 136 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.56 5.30 0.44 -0.61 1.01 0.73 0.02 121.20 125.53 2k3f s ILE 137 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 2k3f s ILE 137 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2k3f s ILE 137 CO 0.00 0.34 0.73 -0.70 0.00 0.00 0.00 174.94 175.31 2k3f s GLU 138 N 0.86 3.57 -0.14 2.79 2.12 -1.11 -3.01 118.70 123.79 2k3f s GLU 138 Ca 0.14 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.62 2k3f s GLU 138 Cb -0.13 -2.44 -0.00 0.00 0.26 0.00 0.00 34.13 31.82 2k3f s GLU 138 CO 0.04 -0.10 -0.18 0.14 -0.54 0.00 0.00 175.26 174.63 2k3f s VAL 139 N -2.58 2.49 0.18 3.70 -7.23 -1.26 -2.55 120.40 113.15 2k3f s VAL 139 Ca 0.47 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 2k3f s VAL 139 Cb -0.10 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2k3f s VAL 139 CO 0.41 0.53 -0.04 0.68 -0.31 0.00 0.00 175.10 176.36 2k3f s VAL 140 N 0.64 3.47 -2.00 1.32 -7.23 0.24 -4.83 120.40 112.02 2k3f s VAL 140 Ca -0.09 -1.54 0.04 0.00 -1.81 0.00 0.00 61.98 58.58 2k3f s VAL 140 Cb -0.16 -2.73 0.13 0.00 0.56 0.00 0.00 36.38 34.17 2k3f s VAL 140 CO 0.02 -0.11 0.74 -0.67 -0.31 0.00 0.00 175.10 174.77