#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfw s THR 2 N 0.00 3.55 -0.04 -1.67 -4.23 -0.30 -0.25 115.64 112.70 3cfw s THR 2 Ca 0.00 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3cfw s THR 2 Cb 0.00 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3cfw s THR 2 CO 0.00 -0.14 0.09 -0.31 -0.54 0.00 0.00 174.62 173.72 3cfw s TYR 3 N -1.79 3.37 0.02 3.99 2.02 -1.26 -1.09 117.35 122.61 3cfw s TYR 3 Ca 0.27 0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 57.23 3cfw s TYR 3 Cb -0.09 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3cfw s TYR 3 CO 0.18 0.59 0.05 -1.01 -1.57 0.00 0.00 175.55 173.79 3cfw s HIS 4 N -1.12 0.19 0.03 2.71 3.76 -0.11 -4.97 115.29 115.79 3cfw s HIS 4 Ca 0.20 -0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 3cfw s HIS 4 Cb -0.12 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 3cfw s HIS 4 CO 0.10 -0.28 0.03 1.52 -0.85 0.00 0.00 174.74 175.26 3cfw s TYR 5 N -1.88 0.29 0.67 1.40 -0.85 -1.26 0.88 117.35 116.60 3cfw s TYR 5 Ca -0.11 -0.64 -0.09 0.00 -0.52 0.00 0.00 57.07 55.70 3cfw s TYR 5 Cb -0.06 -0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.08 3cfw s TYR 5 CO -0.02 -0.31 1.03 -1.54 -1.52 0.00 0.00 175.55 173.19 3cfw s SER 6 N -2.10 5.43 -0.12 -0.18 1.04 -0.60 -4.98 113.70 112.19 3cfw s SER 6 Ca -0.06 0.95 -0.13 0.00 0.48 0.00 0.00 55.95 57.19 3cfw s SER 6 Cb -0.02 -1.79 -0.26 0.00 0.10 0.00 0.00 66.02 64.05 3cfw s SER 6 CO -0.05 -1.28 0.44 -0.08 0.98 0.00 0.00 173.24 173.25 3cfw h GLU 7 N -0.51 0.23 -6.05 4.02 4.81 -2.00 -3.42 114.58 111.67 3cfw h GLU 7 Ca -0.45 -0.39 -0.59 0.00 -0.13 0.00 0.00 59.36 57.80 3cfw h GLU 7 Cb 1.26 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 3cfw h GLU 7 CO 0.63 1.19 -0.42 0.15 -0.73 0.00 0.00 179.01 179.83 3cfw s LYS 8 N -2.50 3.51 0.47 1.92 1.02 -1.26 -4.97 119.74 117.94 3cfw s LYS 8 Ca -0.22 -0.33 -0.21 0.00 0.02 0.00 0.00 55.97 55.23 3cfw s LYS 8 Cb 0.05 -2.95 -0.08 0.00 -0.52 0.00 0.00 37.83 34.34 3cfw s LYS 8 CO 0.75 0.53 1.07 -2.14 -0.92 0.00 0.00 175.35 174.64 3cfw s PRO 9 N -2.73 3.80 0.22 -1.68 0.02 -1.26 -4.42 135.00 128.96 3cfw s PRO 9 Ca 0.37 1.48 -0.15 0.00 0.02 0.00 0.00 61.00 62.72 3cfw s PRO 9 Cb -0.12 -2.22 0.01 0.00 0.02 0.00 0.00 34.50 32.19 3cfw s PRO 9 CO 0.27 -0.45 0.50 0.00 -0.33 0.00 0.00 177.00 176.99 3cfw s MET 10 N -3.01 1.46 0.67 5.54 0.23 0.36 -4.63 119.30 119.92 3cfw s MET 10 Ca 0.66 -1.05 -0.11 0.00 -1.03 0.00 0.00 55.69 54.16 3cfw s MET 10 Cb -0.20 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 3cfw s MET 10 CO 0.24 -0.61 1.05 0.54 -2.03 0.00 0.00 175.02 174.21 3cfw s ASN 11 N -2.94 5.65 0.22 -1.18 2.20 -1.25 -0.80 114.94 116.84 3cfw s ASN 11 Ca 0.15 1.54 -0.09 0.00 -0.94 0.00 0.00 52.86 53.51 3cfw s ASN 11 Cb -0.01 -2.47 0.33 0.00 -2.00 0.00 0.00 41.25 37.10 3cfw s ASN 11 CO 0.03 -1.26 1.69 -0.25 -2.94 0.00 0.00 177.10 174.37 3cfw h TRP 12 N -0.59 0.14 -0.74 1.54 7.01 -1.51 0.86 115.95 122.66 3cfw h TRP 12 Ca -0.44 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.55 3cfw h TRP 12 Cb 1.21 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 28.27 3cfw h TRP 12 CO 0.63 -0.09 0.27 1.96 -2.79 0.00 0.00 178.44 178.43 3cfw h GLN 13 N 0.21 1.12 -0.43 2.65 1.08 -1.93 0.11 115.11 117.92 3cfw h GLN 13 Ca 0.34 -0.21 -0.13 0.00 -1.45 0.00 0.00 58.65 57.19 3cfw h GLN 13 Cb 0.53 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3cfw h GLN 13 CO -0.47 0.92 -0.26 0.00 -0.95 0.00 0.00 178.83 178.08 3cfw h ARG 14 N 1.09 0.91 -0.82 1.46 3.08 -1.60 -2.29 114.38 116.21 3cfw h ARG 14 Ca 0.25 -0.41 0.04 0.00 0.07 0.00 0.00 59.98 59.92 3cfw h ARG 14 Cb 0.24 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3cfw h ARG 14 CO -0.02 1.06 0.52 0.00 -1.07 0.00 0.00 179.97 180.47 3cfw h ALA 15 N 0.91 1.08 -0.50 0.04 0.00 -0.17 -0.03 119.26 120.59 3cfw h ALA 15 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3cfw h ALA 15 Cb 0.83 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3cfw h ALA 15 CO 0.07 0.33 -0.08 -0.09 0.00 0.00 0.00 179.25 179.48 3cfw h ARG 16 N 1.01 0.93 -0.69 0.00 9.65 -0.80 -0.18 114.38 124.30 3cfw h ARG 16 Ca 0.33 -0.34 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3cfw h ARG 16 Cb 0.03 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3cfw h ARG 16 CO -0.12 1.00 0.24 0.00 2.80 0.00 0.00 179.97 183.88 3cfw h ARG 17 N 0.79 1.05 -0.01 0.20 2.47 -0.85 -0.34 114.38 117.68 3cfw h ARG 17 Ca 0.13 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3cfw h ARG 17 Cb 0.63 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 3cfw h ARG 17 CO 0.04 0.90 -0.15 0.35 0.56 0.00 0.00 179.97 181.67 3cfw h PHE 18 N 0.99 -0.37 -0.67 3.04 3.04 -0.80 -1.11 116.94 121.06 3cfw h PHE 18 Ca 0.22 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 3cfw h PHE 18 Cb 0.26 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 3cfw h PHE 18 CO 0.02 -0.22 0.24 0.00 -2.02 0.00 0.00 178.31 176.33 3cfw h ARG 20 N 0.98 0.44 -0.05 0.00 2.47 -0.85 0.98 114.38 118.35 3cfw h ARG 20 Ca 0.22 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3cfw h ARG 20 Cb 0.23 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3cfw h ARG 20 CO -0.01 0.92 -0.04 -0.44 0.56 0.00 0.00 179.97 180.96 3cfw h ASP 21 N 0.04 0.12 1.35 7.04 3.32 -1.23 -3.34 116.42 123.71 3cfw h ASP 21 Ca -0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 3cfw h ASP 21 Cb 0.93 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3cfw h ASP 21 CO 0.07 0.56 -0.67 0.78 -1.72 0.00 0.00 179.24 178.25 3cfw h ASN 22 N -0.32 0.00 0.00 6.45 2.35 -1.39 -3.48 115.58 119.18 3cfw h ASN 22 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3cfw h ASN 22 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3cfw h ASN 22 CO 0.01 0.37 0.00 -1.22 -1.65 0.00 0.00 177.43 174.94 3cfw n TYR 23 N -3.06 0.00 -0.08 1.19 4.01 0.32 -5.06 117.16 114.48 3cfw n TYR 23 Ca -0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3cfw n TYR 23 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.71 3cfw n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3cfw n THR 24 N 0.00 1.35 -3.87 -0.72 -1.04 -0.44 -4.49 114.28 105.07 3cfw n THR 24 Ca 0.00 0.20 -0.04 0.00 -2.04 0.00 0.00 64.05 62.17 3cfw n THR 24 Cb 0.00 -2.30 0.02 0.00 -1.82 0.00 0.00 70.33 66.23 3cfw n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3cfw s ASP 25 N -5.67 0.00 0.55 8.00 -1.08 -1.12 -4.04 116.67 113.32 3cfw s ASP 25 Ca -0.21 -0.73 -0.21 0.00 -0.52 0.00 0.00 52.55 50.87 3cfw s ASP 25 Cb 0.03 0.55 -0.05 0.00 -1.46 0.00 0.00 42.92 41.99 3cfw s ASP 25 CO 0.32 -1.08 1.29 0.18 0.52 0.00 0.00 175.17 176.40 3cfw n LEU 26 N -0.68 5.21 -4.67 -1.34 4.77 -1.26 -1.61 117.00 117.42 3cfw n LEU 26 Ca -0.04 0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 56.50 3cfw n LEU 26 Cb 0.59 -1.54 0.03 0.00 -2.33 0.00 0.00 43.42 40.17 3cfw n LEU 26 CO 0.21 -0.80 0.75 0.55 -1.33 0.00 0.00 177.39 176.78 3cfw n VAL 27 N -1.14 3.24 -4.71 4.08 3.14 0.24 -4.23 118.33 118.94 3cfw n VAL 27 Ca 0.11 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.69 3cfw n VAL 27 Cb 0.45 -1.39 -0.14 0.00 -1.06 0.00 0.00 33.84 31.70 3cfw n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3cfw s ALA 28 N -1.33 2.33 -0.09 1.55 0.00 -1.26 -0.77 121.76 122.18 3cfw s ALA 28 Ca 0.69 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3cfw s ALA 28 Cb -0.46 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.19 3cfw s ALA 28 CO 0.52 0.54 -0.19 0.42 0.00 0.00 0.00 175.76 177.05 3cfw s ILE 29 N -0.90 1.69 -0.02 0.00 1.01 -1.26 -5.01 121.20 116.71 3cfw s ILE 29 Ca 0.13 -0.80 0.15 0.00 0.00 0.00 0.00 60.65 60.13 3cfw s ILE 29 Cb -0.10 -1.49 -0.23 0.00 0.01 0.00 0.00 42.46 40.64 3cfw s ILE 29 CO 0.04 0.48 0.32 0.00 0.00 0.00 0.00 174.94 175.78 3cfw n GLN 30 N 3.71 0.49 -3.80 2.79 6.02 -1.26 -4.74 117.38 120.58 3cfw n GLN 30 Ca -0.20 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.00 56.61 3cfw n GLN 30 Cb 0.52 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 30.42 3cfw n GLN 30 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3cfw s ASN 31 N -3.77 -0.12 0.40 1.08 2.20 -1.26 -3.59 114.94 109.89 3cfw s ASN 31 Ca -0.06 -0.57 0.12 0.00 -0.94 0.00 0.00 52.86 51.41 3cfw s ASN 31 Cb 0.10 0.55 0.83 0.00 -2.00 0.00 0.00 41.25 40.72 3cfw s ASN 31 CO 0.63 -1.05 1.90 0.50 -2.94 0.00 0.00 177.10 176.15 3cfw h LYS 32 N 2.00 0.07 -0.44 3.55 1.63 -1.85 -2.87 116.57 118.65 3cfw h LYS 32 Ca -0.25 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 3cfw h LYS 32 Cb 1.23 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 3cfw h LYS 32 CO 0.30 0.31 0.21 0.00 -3.45 0.00 0.00 179.45 176.82 3cfw h ALA 33 N 1.69 0.57 -0.47 5.00 0.00 -1.96 0.11 119.26 124.20 3cfw h ALA 33 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3cfw h ALA 33 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3cfw h ALA 33 CO 0.03 0.13 0.22 0.93 0.00 0.00 0.00 179.25 180.56 3cfw h GLU 34 N 0.57 0.41 -0.96 0.00 5.08 -1.93 0.11 114.58 117.86 3cfw h GLU 34 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3cfw h GLU 34 Cb 0.12 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3cfw h GLU 34 CO -0.02 0.27 0.62 0.82 -1.00 0.00 0.00 179.01 179.70 3cfw h ILE 35 N 0.43 1.25 -0.56 3.13 2.04 -1.37 -0.51 117.51 121.92 3cfw h ILE 35 Ca 0.21 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 3cfw h ILE 35 Cb 0.15 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 3cfw h ILE 35 CO -0.17 0.25 0.13 -0.33 0.00 0.00 0.00 178.15 178.03 3cfw h GLU 36 N 1.31 0.90 -0.64 2.37 5.08 -0.09 -0.45 114.58 123.05 3cfw h GLU 36 Ca 0.35 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3cfw h GLU 36 Cb -0.12 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3cfw h GLU 36 CO -0.07 0.84 0.18 -0.92 -1.00 0.00 0.00 179.01 178.04 3cfw h TYR 37 N 0.80 1.05 -0.49 4.33 3.20 -0.27 -2.42 116.97 123.17 3cfw h TYR 37 Ca 0.17 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3cfw h TYR 37 Cb 0.35 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3cfw h TYR 37 CO 0.02 0.87 0.13 -0.07 -1.64 0.00 0.00 178.16 177.47 3cfw h LEU 38 N 0.93 0.74 -0.47 2.82 3.38 -0.82 -1.78 115.31 120.11 3cfw h LEU 38 Ca 0.20 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3cfw h LEU 38 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3cfw h LEU 38 CO -0.00 0.77 0.29 -0.08 0.09 0.00 0.00 178.44 179.50 3cfw h GLU 39 N 0.67 0.56 0.00 1.13 4.57 -0.94 -0.08 114.58 120.49 3cfw h GLU 39 Ca 0.16 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3cfw h GLU 39 Cb 0.31 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3cfw h GLU 39 CO -0.00 0.37 -0.13 1.57 -1.18 0.00 0.00 179.01 179.64 3cfw h LYS 40 N 0.57 0.00 0.03 1.92 2.10 -1.38 -3.38 116.57 116.43 3cfw h LYS 40 Ca 0.19 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.49 3cfw h LYS 40 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 3cfw h LYS 40 CO -0.08 0.10 -2.10 2.41 -2.00 0.00 0.00 179.45 177.78 3cfw n THR 41 N -3.11 1.56 -2.81 0.07 -1.04 -0.68 -4.98 114.28 103.29 3cfw n THR 41 Ca 0.03 -0.74 -0.37 0.00 -2.04 0.00 0.00 64.05 60.93 3cfw n THR 41 Cb 0.57 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.92 3cfw n THR 41 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3cfw s LEU 42 N -6.20 4.32 0.53 -4.42 1.43 -0.07 -5.02 118.68 109.26 3cfw s LEU 42 Ca -0.15 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.54 3cfw s LEU 42 Cb 0.07 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 3cfw s LEU 42 CO 0.77 -0.07 1.12 -2.16 0.23 0.00 0.00 176.35 176.24 3cfw s PRO 43 N -2.10 3.43 0.18 1.29 0.04 -1.26 -4.88 135.00 131.69 3cfw s PRO 43 Ca 0.50 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 3cfw s PRO 43 Cb -0.18 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 3cfw s PRO 43 CO 0.23 -0.78 1.56 0.12 0.04 0.00 0.00 177.00 178.17 3cfw s PHE 44 N -1.79 3.05 -0.14 0.56 5.36 -1.26 -4.95 117.98 118.81 3cfw s PHE 44 Ca 0.72 0.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.36 3cfw s PHE 44 Cb -0.23 -3.92 -0.01 0.00 -0.34 0.00 0.00 43.02 38.52 3cfw s PHE 44 CO 0.26 -3.37 -0.16 0.45 -1.46 0.00 0.00 175.22 170.94 3cfw s SER 45 N 1.06 3.65 0.48 6.13 0.15 -1.26 -5.04 113.70 118.87 3cfw s SER 45 Ca 0.69 -0.44 0.16 0.00 0.70 0.00 0.00 55.95 57.05 3cfw s SER 45 Cb -0.44 -1.55 1.14 0.00 -1.71 0.00 0.00 66.02 63.46 3cfw s SER 45 CO 0.33 0.12 2.06 0.03 1.20 0.00 0.00 173.24 176.99 3cfw h ARG 46 N 7.00 0.00 -0.33 5.44 3.08 -1.96 -1.35 114.38 126.26 3cfw h ARG 46 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3cfw h ARG 46 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3cfw h ARG 46 CO 0.55 0.10 0.00 -1.13 -1.07 0.00 0.00 179.97 178.42 3cfw n SER 47 N -4.39 3.23 0.00 7.04 3.41 -1.26 -5.08 113.62 116.57 3cfw n SER 47 Ca -0.03 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3cfw n SER 47 Cb 0.18 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3cfw n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3cfw n TYR 48 N 1.29 -0.06 -4.17 7.33 4.01 -0.51 -4.68 117.16 120.37 3cfw n TYR 48 Ca 0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.75 3cfw n TYR 48 Cb 0.55 0.06 -0.15 0.00 -0.31 0.00 0.00 39.34 39.50 3cfw n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3cfw s TYR 49 N 0.00 0.51 0.25 -0.72 1.51 -1.22 -1.68 117.35 116.01 3cfw s TYR 49 Ca 0.00 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 3cfw s TYR 49 Cb 0.00 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.41 3cfw s TYR 49 CO 0.00 -0.02 0.98 -1.58 -1.11 0.00 0.00 175.55 173.82 3cfw s TRP 50 N -0.02 3.87 0.34 2.71 0.23 0.05 -0.64 118.94 125.47 3cfw s TRP 50 Ca 0.01 1.86 0.09 0.00 -2.03 0.00 0.00 56.10 56.03 3cfw s TRP 50 Cb -0.03 -3.05 -0.05 0.00 0.03 0.00 0.00 33.47 30.36 3cfw s TRP 50 CO -0.00 0.20 -0.00 0.96 0.96 0.00 0.00 176.95 179.06 3cfw s ILE 51 N -1.20 2.61 -1.20 2.03 -4.36 -0.31 -2.86 121.20 115.92 3cfw s ILE 51 Ca 0.42 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.71 3cfw s ILE 51 Cb -0.27 -2.77 0.21 0.00 1.25 0.00 0.00 42.46 40.88 3cfw s ILE 51 CO 0.34 -0.21 1.54 0.61 0.24 0.00 0.00 174.94 177.45 3cfw n GLY 52 N -0.93 4.26 3.11 6.27 0.00 0.05 -4.58 105.19 113.38 3cfw n GLY 52 Ca -0.04 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 3cfw n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cfw s ILE 53 N -0.02 -0.02 0.03 -0.61 2.07 -1.26 -1.70 121.20 119.69 3cfw s ILE 53 Ca 0.38 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 3cfw s ILE 53 Cb 0.01 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 3cfw s ILE 53 CO 0.01 0.03 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.88 3cfw s ARG 54 N 0.84 0.45 -0.49 3.50 1.81 -0.80 -4.39 118.95 119.86 3cfw s ARG 54 Ca -0.06 -0.63 -0.27 0.00 -1.72 0.00 0.00 55.73 53.06 3cfw s ARG 54 Cb -0.07 -0.21 0.03 0.00 -0.45 0.00 0.00 34.95 34.25 3cfw s ARG 54 CO -0.06 0.04 1.02 0.21 -0.68 0.00 0.00 175.30 175.83 3cfw s LYS 55 N -1.31 3.56 -0.23 3.54 2.20 -1.26 -0.13 119.74 126.11 3cfw s LYS 55 Ca -0.09 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3cfw s LYS 55 Cb -0.09 -3.95 0.02 0.00 -1.51 0.00 0.00 37.83 32.31 3cfw s LYS 55 CO 0.00 -1.36 -0.09 0.42 -0.36 0.00 0.00 175.35 173.96 3cfw s ILE 56 N 4.14 2.77 -1.41 5.43 1.01 -0.14 -4.56 121.20 128.43 3cfw s ILE 56 Ca 0.40 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3cfw s ILE 56 Cb -0.09 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3cfw s ILE 56 CO 0.27 0.28 0.67 0.61 0.00 0.00 0.00 174.94 176.78 3cfw n GLY 57 N 4.67 -0.43 3.00 6.18 0.00 -1.26 -1.74 105.19 115.61 3cfw n GLY 57 Ca -0.17 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3cfw n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfw n GLY 58 N -1.56 1.41 3.20 -0.02 0.00 -1.26 -5.01 105.19 101.94 3cfw n GLY 58 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3cfw n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfw s ILE 59 N -3.79 2.17 -0.07 -0.61 1.01 -0.71 -5.06 121.20 114.14 3cfw s ILE 59 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3cfw s ILE 59 Cb 0.00 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 3cfw s ILE 59 CO 0.00 0.55 1.76 0.26 0.00 0.00 0.00 174.94 177.50 3cfw s TRP 60 N 0.74 1.79 -0.06 3.97 0.52 -1.26 -0.96 118.94 123.67 3cfw s TRP 60 Ca -0.09 0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.20 3cfw s TRP 60 Cb -0.16 -4.00 0.01 0.00 -1.15 0.00 0.00 33.47 28.17 3cfw s TRP 60 CO 0.00 -4.10 -0.16 0.99 0.02 0.00 0.00 176.95 173.70 3cfw s THR 61 N 4.62 1.41 -0.06 2.01 2.01 0.82 -0.62 115.64 125.82 3cfw s THR 61 Ca 0.78 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3cfw s THR 61 Cb -0.34 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 3cfw s THR 61 CO 0.32 0.41 1.72 0.26 -0.69 0.00 0.00 174.62 176.65 3cfw s TRP 62 N 0.40 1.85 0.34 4.92 0.52 0.02 -1.91 118.94 125.07 3cfw s TRP 62 Ca -0.12 0.13 0.12 0.00 0.02 0.00 0.00 56.10 56.24 3cfw s TRP 62 Cb -0.15 -3.98 0.60 0.00 -1.15 0.00 0.00 33.47 28.80 3cfw s TRP 62 CO 0.04 -4.06 1.76 -0.39 0.02 0.00 0.00 176.95 174.32 3cfw h VAL 63 N 5.68 1.32 -0.01 4.03 -1.51 -1.66 0.22 116.25 124.32 3cfw h VAL 63 Ca -0.40 -1.53 -0.10 0.00 -1.23 0.00 0.00 66.70 63.43 3cfw h VAL 63 Cb 1.19 1.82 0.01 0.00 -2.13 0.00 0.00 31.29 32.18 3cfw h VAL 63 CO 0.96 0.44 -0.40 1.23 -1.23 0.00 0.00 177.57 178.57 3cfw h GLY 64 N 1.34 0.32 0.27 5.19 0.00 -1.79 -3.34 103.07 105.05 3cfw h GLY 64 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3cfw h GLY 64 CO 0.06 0.48 -0.77 -1.30 0.00 0.00 0.00 176.54 175.00 3cfw n THR 65 N -4.38 0.00 -1.94 4.70 -2.24 -1.24 -4.98 114.28 104.19 3cfw n THR 65 Ca -0.10 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 3cfw n THR 65 Cb 0.57 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 3cfw n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3cfw n ASN 66 N -1.37 -5.40 -4.88 3.42 5.15 0.77 -4.99 115.26 107.96 3cfw n ASN 66 Ca 0.05 0.28 -0.35 0.00 -0.60 0.00 0.00 54.58 53.97 3cfw n ASN 66 Cb 0.34 -4.67 -0.05 0.00 -0.53 0.00 0.00 39.78 34.87 3cfw n ASN 66 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cfw s LYS 67 N -4.27 3.58 0.55 1.20 1.02 -1.22 -4.84 119.74 115.76 3cfw s LYS 67 Ca 0.00 -0.07 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 3cfw s LYS 67 Cb 0.00 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 34.17 3cfw s LYS 67 CO 0.00 0.65 1.14 -1.12 -0.92 0.00 0.00 175.35 175.10 3cfw s SER 68 N -1.68 5.65 0.32 2.83 0.01 -1.26 -0.80 113.70 118.76 3cfw s SER 68 Ca 0.27 2.22 -0.29 0.00 1.31 0.00 0.00 55.95 59.46 3cfw s SER 68 Cb -0.13 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 3cfw s SER 68 CO 0.16 -1.27 1.48 -0.22 0.41 0.00 0.00 173.24 173.80 3cfw s LEU 69 N -3.82 4.36 0.28 2.44 2.96 0.21 -4.84 118.68 120.27 3cfw s LEU 69 Ca 0.73 2.88 0.08 0.00 -0.22 0.00 0.00 54.13 57.61 3cfw s LEU 69 Cb -0.25 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 3cfw s LEU 69 CO 0.28 -0.79 0.10 0.42 -1.32 0.00 0.00 176.35 175.04 3cfw s THR 70 N -0.56 3.63 0.30 3.68 -4.23 -1.26 -5.00 115.64 112.20 3cfw s THR 70 Ca 0.57 -1.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3cfw s THR 70 Cb -0.45 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.54 3cfw s THR 70 CO 0.53 -0.31 1.90 -0.33 -0.54 0.00 0.00 174.62 175.87 3cfw h GLU 71 N 1.66 0.85 0.00 3.99 4.39 -1.95 -0.86 114.58 122.66 3cfw h GLU 71 Ca -0.45 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.05 3cfw h GLU 71 Cb 1.25 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3cfw h GLU 71 CO 0.61 0.68 -0.37 1.05 -1.16 0.00 0.00 179.01 179.82 3cfw h GLU 72 N 0.85 0.00 0.15 2.33 4.11 -1.96 -3.22 114.58 116.85 3cfw h GLU 72 Ca 0.21 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.30 3cfw h GLU 72 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cfw h GLU 72 CO -0.02 0.37 -1.73 0.00 0.07 0.00 0.00 179.01 177.70 3cfw h ALA 73 N 1.63 0.22 -1.02 1.06 0.00 -1.53 -3.30 119.26 116.33 3cfw h ALA 73 Ca -0.00 -1.19 -0.81 0.00 0.00 0.00 0.00 54.91 52.90 3cfw h ALA 73 Cb 0.65 0.53 0.04 0.00 0.00 0.00 0.00 17.79 19.01 3cfw h ALA 73 CO 0.05 1.04 0.26 -1.91 0.00 0.00 0.00 179.25 178.68 3cfw n GLU 74 N -3.66 0.03 -2.74 0.00 0.00 -0.36 -4.74 120.64 109.17 3cfw n GLU 74 Ca -0.27 0.01 -0.03 0.00 0.00 0.00 0.00 57.16 56.87 3cfw n GLU 74 Cb 1.02 -1.51 0.08 0.00 0.00 0.00 0.00 31.44 31.03 3cfw n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3cfw n ASN 75 N 2.28 0.03 -4.75 4.31 5.15 -1.26 -5.00 115.26 116.01 3cfw n ASN 75 Ca 0.23 -2.25 -0.39 0.00 -0.60 0.00 0.00 54.58 51.58 3cfw n ASN 75 Cb 0.04 0.12 0.04 0.00 -0.53 0.00 0.00 39.78 39.45 3cfw n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3cfw s TRP 76 N -1.80 2.32 0.93 1.20 0.52 -1.26 -1.43 118.94 119.41 3cfw s TRP 76 Ca 0.20 1.36 -0.12 0.00 0.02 0.00 0.00 56.10 57.56 3cfw s TRP 76 Cb 0.40 -3.81 0.15 0.00 -1.15 0.00 0.00 33.47 29.05 3cfw s TRP 76 CO -0.07 -2.89 1.11 0.20 0.02 0.00 0.00 176.95 175.33 3cfw s GLY 77 N -0.90 1.58 0.15 0.98 0.00 -0.44 -4.67 107.32 104.02 3cfw s GLY 77 Ca 0.70 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.71 3cfw s GLY 77 CO 0.49 0.16 1.81 -0.35 0.00 0.00 0.00 173.10 175.20 3cfw s ASP 78 N -3.77 6.41 0.00 1.64 2.15 -1.26 -1.44 116.67 120.40 3cfw s ASP 78 Ca 0.64 2.79 0.00 0.00 0.43 0.00 0.00 52.55 56.41 3cfw s ASP 78 Cb -0.16 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3cfw s ASP 78 CO 0.55 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 3cfw n GLY 79 N 4.17 1.71 3.90 2.66 0.00 -1.26 -5.04 105.19 111.34 3cfw n GLY 79 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3cfw n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfw s GLU 80 N -0.56 3.58 0.07 1.61 0.41 -0.52 -3.52 118.70 119.78 3cfw s GLU 80 Ca 0.00 -0.17 -0.26 0.00 -0.41 0.00 0.00 54.97 54.13 3cfw s GLU 80 Cb 0.00 -2.86 -0.06 0.00 -1.78 0.00 0.00 34.13 29.43 3cfw s GLU 80 CO 0.00 0.46 0.81 -1.25 -0.49 0.00 0.00 175.26 174.79 3cfw s PRO 81 N -2.78 4.54 0.00 0.39 0.04 -1.26 -4.63 135.00 131.30 3cfw s PRO 81 Ca 0.40 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.70 3cfw s PRO 81 Cb -0.12 -3.36 0.09 0.00 0.04 0.00 0.00 34.50 31.15 3cfw s PRO 81 CO 0.26 0.29 0.85 0.27 0.04 0.00 0.00 177.00 178.71 3cfw n ASN 82 N 2.72 1.93 -4.23 6.66 6.94 -1.23 -5.00 115.26 123.06 3cfw n ASN 82 Ca -0.02 -1.47 -0.33 0.00 -0.02 0.00 0.00 54.58 52.75 3cfw n ASN 82 Cb 0.50 -0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 3cfw n ASN 82 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3cfw n ASN 83 N 0.61 -0.07 -4.61 0.53 5.15 -1.26 -4.73 115.26 110.89 3cfw n ASN 83 Ca 0.06 -1.25 -0.55 0.00 -0.60 0.00 0.00 54.58 52.24 3cfw n ASN 83 Cb 0.28 -1.79 -0.07 0.00 -0.53 0.00 0.00 39.78 37.67 3cfw n ASN 83 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 3cfw n LYS 84 N -4.64 0.87 -1.65 1.20 4.81 -1.26 -0.06 118.16 117.43 3cfw n LYS 84 Ca -0.29 0.31 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 3cfw n LYS 84 Cb 0.68 -1.93 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 3cfw n LYS 84 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3cfw n LYS 85 N 2.95 -1.48 -2.29 1.64 4.76 -1.26 -0.75 118.16 121.74 3cfw n LYS 85 Ca 0.21 0.88 -0.19 0.00 -2.87 0.00 0.00 58.31 56.34 3cfw n LYS 85 Cb 0.14 -5.24 -0.02 0.00 -1.84 0.00 0.00 35.03 28.08 3cfw n LYS 85 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3cfw n ASN 86 N -0.99 -5.38 -0.31 4.39 5.15 0.91 -4.86 115.26 114.17 3cfw n ASN 86 Ca -0.16 0.09 0.04 0.00 -0.60 0.00 0.00 54.58 53.95 3cfw n ASN 86 Cb 0.54 -4.53 0.03 0.00 -0.53 0.00 0.00 39.78 35.29 3cfw n ASN 86 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3cfw n LYS 87 N -2.87 0.15 -3.75 1.20 5.02 0.08 -5.00 118.16 112.99 3cfw n LYS 87 Ca -0.22 -0.96 -0.38 0.00 -2.02 0.00 0.00 58.31 54.73 3cfw n LYS 87 Cb 0.66 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 34.40 3cfw n LYS 87 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cfw s GLU 88 N -0.67 2.52 -0.00 1.97 2.02 -1.25 -4.11 118.70 119.16 3cfw s GLU 88 Ca 0.09 -1.32 0.10 0.00 0.02 0.00 0.00 54.97 53.86 3cfw s GLU 88 Cb 0.07 -3.49 -0.12 0.00 0.10 0.00 0.00 34.13 30.68 3cfw s GLU 88 CO 0.10 -0.76 0.34 -0.25 0.02 0.00 0.00 175.26 174.71 3cfw n ASP 89 N 4.78 1.23 -4.89 -0.19 8.00 -1.22 -4.57 116.55 119.70 3cfw n ASP 89 Ca -0.11 -0.48 -0.21 0.00 0.71 0.00 0.00 54.79 54.70 3cfw n ASP 89 Cb 0.44 1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 42.67 3cfw n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cfw s VAL 91 N -2.51 0.44 0.26 0.00 1.01 -1.26 0.70 120.40 119.04 3cfw s VAL 91 Ca 0.47 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3cfw s VAL 91 Cb -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3cfw s VAL 91 CO 0.28 0.15 -0.06 -1.83 0.00 0.00 0.00 175.10 173.63 3cfw s GLU 92 N 0.16 2.11 -0.12 2.72 -1.05 -0.08 -1.17 118.70 121.28 3cfw s GLU 92 Ca -0.02 -1.48 0.02 0.00 -0.15 0.00 0.00 54.97 53.34 3cfw s GLU 92 Cb -0.06 -2.07 -0.01 0.00 -0.44 0.00 0.00 34.13 31.56 3cfw s GLU 92 CO -0.00 0.37 -0.19 -1.50 0.95 0.00 0.00 175.26 174.88 3cfw s ILE 93 N -2.28 2.48 -1.10 1.83 2.07 0.19 -1.51 121.20 122.88 3cfw s ILE 93 Ca 0.30 -0.86 -0.16 0.00 -1.41 0.00 0.00 60.65 58.52 3cfw s ILE 93 Cb -0.06 -2.00 -0.07 0.00 0.13 0.00 0.00 42.46 40.46 3cfw s ILE 93 CO 0.18 0.54 2.16 -1.22 -1.91 0.00 0.00 174.94 174.69 3cfw n TYR 94 N 3.58 2.37 -2.09 3.50 4.01 0.10 -3.38 117.16 125.25 3cfw n TYR 94 Ca -0.19 -2.34 -0.42 0.00 -0.16 0.00 0.00 57.90 54.80 3cfw n TYR 94 Cb 0.53 -2.05 -0.03 0.00 -0.31 0.00 0.00 39.34 37.48 3cfw n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3cfw s ILE 95 N 3.88 2.92 -1.60 -0.72 -1.09 -1.26 -1.02 121.20 122.30 3cfw s ILE 95 Ca 0.52 0.73 -0.17 0.00 -2.23 0.00 0.00 60.65 59.51 3cfw s ILE 95 Cb 0.14 -3.47 0.14 0.00 -1.58 0.00 0.00 42.46 37.69 3cfw s ILE 95 CO 0.01 0.10 0.74 0.29 -1.23 0.00 0.00 174.94 174.85 3cfw n LYS 96 N 2.83 -3.28 -3.41 2.79 5.02 -1.26 -4.61 118.16 116.23 3cfw n LYS 96 Ca 0.08 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.40 3cfw n LYS 96 Cb 0.41 -5.13 -0.06 0.00 -0.02 0.00 0.00 35.03 30.24 3cfw n LYS 96 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3cfw s ARG 97 N -6.73 3.96 0.67 1.97 3.52 -1.24 -4.97 118.95 116.12 3cfw s ARG 97 Ca 0.68 0.45 0.39 0.00 -0.13 0.00 0.00 55.73 57.12 3cfw s ARG 97 Cb -0.37 -3.04 2.13 0.00 -1.56 0.00 0.00 34.95 32.11 3cfw s ARG 97 CO 0.83 0.56 2.20 -0.91 -0.81 0.00 0.00 175.30 177.17 3cfw h ASN 98 N 3.94 0.00 -3.82 -2.12 2.35 -1.94 -3.35 115.58 110.64 3cfw h ASN 98 Ca -0.49 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.03 3cfw h ASN 98 Cb 1.20 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.30 3cfw h ASN 98 CO 0.65 0.00 -0.72 -0.75 -1.65 0.00 0.00 177.43 174.96 3cfw s LYS 99 N -4.13 0.03 -1.47 0.81 2.20 -1.26 -4.84 119.74 111.08 3cfw s LYS 99 Ca -0.04 -0.05 -0.08 0.00 -0.36 0.00 0.00 55.97 55.45 3cfw s LYS 99 Cb 0.11 0.00 0.03 0.00 -1.51 0.00 0.00 37.83 36.47 3cfw s LYS 99 CO 0.36 -0.00 0.73 -0.25 -0.36 0.00 0.00 175.35 175.83 3cfw n ASP 100 N 2.97 -5.54 -4.77 1.43 8.00 -1.26 -4.91 116.55 112.46 3cfw n ASP 100 Ca -0.13 -0.41 -0.40 0.00 0.71 0.00 0.00 54.79 54.56 3cfw n ASP 100 Cb 0.60 -4.46 0.01 0.00 -0.02 0.00 0.00 41.12 37.24 3cfw n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cfw s ALA 101 N -3.17 3.40 0.00 2.24 0.00 -1.26 -2.36 121.76 120.61 3cfw s ALA 101 Ca 0.42 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3cfw s ALA 101 Cb -0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3cfw s ALA 101 CO 0.52 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3cfw n GLY 102 N 0.53 2.79 3.78 0.00 0.00 -0.19 -4.99 105.19 107.10 3cfw n GLY 102 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3cfw n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfw s LYS 103 N -0.31 2.47 0.16 1.61 -0.14 -1.00 -4.55 119.74 117.99 3cfw s LYS 103 Ca 0.00 1.13 0.04 0.00 -1.36 0.00 0.00 55.97 55.78 3cfw s LYS 103 Cb 0.00 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 3cfw s LYS 103 CO 0.00 -1.47 0.21 -1.58 -0.76 0.00 0.00 175.35 171.74 3cfw s TRP 104 N -2.89 3.31 -0.12 3.18 0.51 -0.52 -0.72 118.94 121.69 3cfw s TRP 104 Ca 0.61 0.04 -0.06 0.00 -2.12 0.00 0.00 56.10 54.57 3cfw s TRP 104 Cb -0.17 -1.58 0.05 0.00 -0.81 0.00 0.00 33.47 30.96 3cfw s TRP 104 CO 0.55 0.52 0.28 1.21 -0.51 0.00 0.00 176.95 178.99 3cfw s ASN 105 N -3.18 -0.20 0.43 2.95 2.47 -0.57 -1.32 114.94 115.52 3cfw s ASN 105 Ca 0.33 0.60 -0.22 0.00 0.42 0.00 0.00 52.86 53.98 3cfw s ASN 105 Cb -0.10 0.52 -0.09 0.00 -1.45 0.00 0.00 41.25 40.13 3cfw s ASN 105 CO 0.26 -0.18 1.03 1.51 -3.72 0.00 0.00 177.10 176.00 3cfw s ASP 106 N 1.49 6.65 0.20 -4.21 -4.77 -1.26 -0.90 116.67 113.87 3cfw s ASP 106 Ca -0.08 1.96 -0.15 0.00 -3.30 0.00 0.00 52.55 50.98 3cfw s ASP 106 Cb -0.10 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.17 3cfw s ASP 106 CO -0.09 -0.57 0.48 -0.62 0.70 0.00 0.00 175.17 175.07 3cfw s ASP 107 N -1.77 -0.17 0.06 2.11 -1.08 0.22 -4.87 116.67 111.16 3cfw s ASP 107 Ca 0.61 -0.63 -0.32 0.00 -0.52 0.00 0.00 52.55 51.68 3cfw s ASP 107 Cb -0.19 0.56 -0.11 0.00 -1.46 0.00 0.00 42.92 41.72 3cfw s ASP 107 CO 0.23 -1.05 1.82 0.00 0.52 0.00 0.00 175.17 176.69 3cfw n ALA 108 N -0.33 1.63 0.29 3.66 0.00 -1.26 -2.49 120.51 122.02 3cfw n ALA 108 Ca -0.08 0.31 0.18 0.00 0.00 0.00 0.00 53.44 53.86 3cfw n ALA 108 Cb 0.62 -2.54 0.98 0.00 0.00 0.00 0.00 19.45 18.52 3cfw n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cfw n HIS 110 N -3.50 0.00 -1.98 0.00 1.44 -1.26 -1.78 115.22 108.14 3cfw n HIS 110 Ca -0.02 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.37 3cfw n HIS 110 Cb 0.17 -0.40 0.02 0.00 0.12 0.00 0.00 29.99 29.89 3cfw n HIS 110 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3cfw s LYS 111 N -2.81 3.28 -0.22 -1.40 1.02 -0.69 -4.65 119.74 114.27 3cfw s LYS 111 Ca 0.20 1.15 -0.17 0.00 0.02 0.00 0.00 55.97 57.17 3cfw s LYS 111 Cb 0.19 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 3cfw s LYS 111 CO 0.49 -0.84 0.45 -0.51 -0.92 0.00 0.00 175.35 174.03 3cfw s LEU 112 N -4.66 4.11 0.10 3.17 1.43 -1.26 -3.82 118.68 117.75 3cfw s LEU 112 Ca 0.62 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.19 3cfw s LEU 112 Cb -0.15 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3cfw s LEU 112 CO 0.40 -0.17 0.13 -0.54 0.23 0.00 0.00 176.35 176.40 3cfw s LYS 113 N 1.74 0.84 0.46 1.70 1.02 0.02 -4.59 119.74 120.93 3cfw s LYS 113 Ca 0.20 -1.13 -0.24 0.00 0.02 0.00 0.00 55.97 54.83 3cfw s LYS 113 Cb -0.15 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.38 3cfw s LYS 113 CO 0.09 -0.25 1.24 0.00 -0.92 0.00 0.00 175.35 175.51 3cfw s ALA 114 N -3.92 3.02 0.07 5.17 0.00 -0.68 -0.48 121.76 124.93 3cfw s ALA 114 Ca 0.10 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 3cfw s ALA 114 Cb 0.06 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3cfw s ALA 114 CO -0.07 -0.84 0.87 0.00 0.00 0.00 0.00 175.76 175.72 3cfw s ALA 115 N -1.42 3.29 -0.22 0.00 0.00 -1.26 -0.77 121.76 121.39 3cfw s ALA 115 Ca 0.63 0.43 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3cfw s ALA 115 Cb -0.33 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3cfw s ALA 115 CO 0.41 -0.01 -0.14 -1.17 0.00 0.00 0.00 175.76 174.85 3cfw s LEU 116 N 0.08 2.78 0.44 0.00 2.96 -1.13 -1.56 118.68 122.25 3cfw s LEU 116 Ca 0.43 -0.93 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3cfw s LEU 116 Cb -0.22 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3cfw s LEU 116 CO 0.26 -0.09 0.01 0.00 -1.32 0.00 0.00 176.35 175.22 3cfw s TYR 118 N -2.76 0.77 -0.11 0.00 1.13 -0.64 -0.93 117.35 114.82 3cfw s TYR 118 Ca 0.27 -0.84 0.03 0.00 -1.41 0.00 0.00 57.07 55.11 3cfw s TYR 118 Cb 0.08 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 3cfw s TYR 118 CO 0.14 -0.17 -0.19 0.99 -2.51 0.00 0.00 175.55 173.80 3cfw s THR 119 N -3.15 1.79 0.52 -3.49 2.01 -0.25 -1.32 115.64 111.74 3cfw s THR 119 Ca 0.06 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 3cfw s THR 119 Cb 0.02 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 3cfw s THR 119 CO -0.04 0.50 1.27 0.00 -0.69 0.00 0.00 174.62 175.65 3cfw s ALA 120 N 0.70 2.83 -0.15 7.40 0.00 -1.26 -1.15 121.76 130.13 3cfw s ALA 120 Ca -0.11 1.14 0.16 0.00 0.00 0.00 0.00 51.96 53.14 3cfw s ALA 120 Cb -0.16 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.23 3cfw s ALA 120 CO 0.02 -1.08 0.25 0.43 0.00 0.00 0.00 175.76 175.38 3cfw n SER 121 N -0.91 0.36 -4.73 0.00 7.64 -1.26 -4.80 113.62 109.91 3cfw n SER 121 Ca 0.10 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.69 3cfw n SER 121 Cb 0.47 0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 3cfw n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cfw s GLN 123 N -0.03 1.04 0.28 0.00 -0.21 -1.26 -5.04 119.66 114.44 3cfw s GLN 123 Ca 0.54 -1.51 -0.00 0.00 0.02 0.00 0.00 55.36 54.41 3cfw s GLN 123 Cb -0.33 0.16 0.64 0.00 1.00 0.00 0.00 33.01 34.49 3cfw s GLN 123 CO 0.36 -0.28 1.64 -1.35 -2.12 0.00 0.00 175.29 173.54 3cfw h PRO 124 N 2.76 0.16 -3.06 2.91 0.11 -2.03 -2.84 132.00 130.01 3cfw h PRO 124 Ca -0.36 -0.01 -0.79 0.00 0.11 0.00 0.00 66.00 64.95 3cfw h PRO 124 Cb 1.21 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 32.00 3cfw h PRO 124 CO 0.58 0.11 0.59 0.91 -0.21 0.00 0.00 178.00 179.98 3cfw n TRP 125 N -5.27 3.20 0.00 0.65 7.02 -1.26 -4.52 117.44 117.26 3cfw n TRP 125 Ca 0.19 -3.08 0.00 0.00 -1.02 0.00 0.00 57.50 53.60 3cfw n TRP 125 Cb 0.63 -1.33 0.00 0.00 -2.42 0.00 0.00 31.31 28.20 3cfw n TRP 125 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3cfw n SER 126 N 1.68 3.21 -0.13 -0.99 7.64 -1.07 -4.76 113.62 119.20 3cfw n SER 126 Ca 0.26 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.15 3cfw n SER 126 Cb 0.35 0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.79 3cfw n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cfw n SER 128 N -0.22 -7.15 0.00 0.00 7.64 -1.24 -4.33 113.62 108.32 3cfw n SER 128 Ca 0.02 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3cfw n SER 128 Cb 0.25 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 3cfw n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfw n GLY 129 N 1.06 3.80 3.56 0.23 0.00 -1.26 -4.49 105.19 108.08 3cfw n GLY 129 Ca -0.01 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3cfw n GLY 129 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cfw s HIS 130 N 0.00 1.37 0.00 1.61 3.76 -1.26 -4.75 115.29 116.01 3cfw s HIS 130 Ca 0.00 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 3cfw s HIS 130 Cb 0.00 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 30.00 3cfw s HIS 130 CO 0.00 -1.82 0.00 0.41 -0.85 0.00 0.00 174.74 172.48 3cfw n GLY 131 N 6.61 0.39 3.68 -2.22 0.00 -1.26 -2.76 105.19 109.64 3cfw n GLY 131 Ca 0.41 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.68 3cfw n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cfw s GLU 132 N 0.00 4.21 -0.26 1.61 2.12 -0.71 -4.56 118.70 121.10 3cfw s GLU 132 Ca 0.00 2.19 -0.15 0.00 0.36 0.00 0.00 54.97 57.36 3cfw s GLU 132 Cb 0.00 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3cfw s GLU 132 CO 0.00 -0.74 0.40 0.00 -0.54 0.00 0.00 175.26 174.37 3cfw s VAL 134 N 2.02 4.31 -0.01 0.00 1.01 0.39 -4.97 120.40 123.15 3cfw s VAL 134 Ca 0.16 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 3cfw s VAL 134 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3cfw s VAL 134 CO 0.10 0.47 0.96 -1.61 0.00 0.00 0.00 175.10 175.02 3cfw s GLU 135 N 0.42 4.54 0.37 2.72 0.41 -1.26 -1.24 118.70 124.66 3cfw s GLU 135 Ca -0.00 1.38 0.03 0.00 -0.41 0.00 0.00 54.97 55.96 3cfw s GLU 135 Cb -0.13 -3.46 -0.01 0.00 -1.78 0.00 0.00 34.13 28.74 3cfw s GLU 135 CO 0.02 -0.06 0.11 0.44 -0.49 0.00 0.00 175.26 175.28 3cfw n ILE 136 N 3.93 0.00 -2.13 -1.63 -5.35 -0.34 -4.78 119.36 109.06 3cfw n ILE 136 Ca 0.06 -2.08 -0.43 0.00 -0.27 0.00 0.00 62.75 60.03 3cfw n ILE 136 Cb 0.51 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 39.09 3cfw n ILE 136 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3cfw s ILE 137 N -2.85 3.74 -1.28 7.28 1.01 -1.26 0.45 121.20 128.29 3cfw s ILE 137 Ca 0.16 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3cfw s ILE 137 Cb 0.01 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3cfw s ILE 137 CO 0.11 -0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.41 3cfw n ASN 138 N 7.99 -5.54 -0.96 3.58 3.02 0.66 -4.84 115.26 119.17 3cfw n ASN 138 Ca 0.18 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 3cfw n ASN 138 Cb 0.45 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 3cfw n ASN 138 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cfw n ASN 139 N -1.09 0.00 -4.12 6.41 2.85 -1.16 -4.80 115.26 113.35 3cfw n ASN 139 Ca -0.12 -0.96 -0.11 0.00 -0.11 0.00 0.00 54.58 53.28 3cfw n ASN 139 Cb 0.58 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.51 3cfw n ASN 139 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 3cfw s TYR 140 N -6.88 0.86 0.06 1.20 -0.85 -1.26 -1.20 117.35 109.27 3cfw s TYR 140 Ca 0.00 -1.14 -0.06 0.00 -0.52 0.00 0.00 57.07 55.35 3cfw s TYR 140 Cb 0.00 -0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.00 3cfw s TYR 140 CO 0.00 -0.71 0.10 0.95 -1.52 0.00 0.00 175.55 174.38 3cfw s THR 141 N -4.09 0.15 -0.07 -3.49 -4.23 -0.37 -4.88 115.64 98.66 3cfw s THR 141 Ca 0.31 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 3cfw s THR 141 Cb 0.05 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 3cfw s THR 141 CO 0.08 -0.69 0.02 0.00 -0.54 0.00 0.00 174.62 173.49 3cfw n ASN 143 N 1.99 2.94 -4.84 0.00 3.02 0.15 -4.97 115.26 113.55 3cfw n ASN 143 Ca -0.18 -3.31 -0.31 0.00 -0.03 0.00 0.00 54.58 50.75 3cfw n ASN 143 Cb 0.54 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3cfw n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cfw n ASP 145 N -2.67 0.22 -4.67 0.00 2.03 -1.11 -4.88 116.55 105.46 3cfw n ASP 145 Ca 0.07 -1.25 -0.45 0.00 0.52 0.00 0.00 54.79 53.68 3cfw n ASP 145 Cb 0.54 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.64 3cfw n ASP 145 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3cfw n VAL 146 N -2.22 0.59 0.00 5.18 0.31 -1.26 -3.98 118.33 116.95 3cfw n VAL 146 Ca 0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3cfw n VAL 146 Cb 0.18 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3cfw n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cfw n GLY 147 N 2.64 3.17 3.69 2.92 0.00 -1.26 -5.09 105.19 111.25 3cfw n GLY 147 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 3cfw n GLY 147 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cfw s TYR 148 N 0.00 0.04 0.00 1.61 -0.85 -1.26 -4.24 117.35 112.65 3cfw s TYR 148 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 3cfw s TYR 148 Cb 0.00 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.78 3cfw s TYR 148 CO 0.00 -1.08 0.00 0.66 -1.52 0.00 0.00 175.55 173.61 3cfw n TYR 149 N -0.41 0.00 -1.32 -3.49 4.02 -1.19 -4.75 117.16 110.02 3cfw n TYR 149 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3cfw n TYR 149 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 3cfw n TYR 149 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cfw n GLY 150 N 0.00 0.77 0.00 2.72 0.00 -1.26 -3.68 105.19 103.73 3cfw n GLY 150 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3cfw n GLY 150 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cfw n PRO 151 N 4.99 0.00 0.00 1.61 -0.04 -1.26 -4.17 135.00 136.12 3cfw n PRO 151 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3cfw n PRO 151 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3cfw n PRO 151 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3cfw n GLN 152 N 0.00 0.52 -2.97 0.54 6.02 -1.26 -4.67 117.38 115.55 3cfw n GLN 152 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3cfw n GLN 152 Cb 0.00 -1.03 0.06 0.00 1.02 0.00 0.00 30.24 30.29 3cfw n GLN 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cfw n GLN 154 N -3.13 1.77 -3.55 0.00 7.27 -1.24 -4.70 117.38 113.80 3cfw n GLN 154 Ca -0.15 -3.38 -0.28 0.00 0.07 0.00 0.00 57.00 53.26 3cfw n GLN 154 Cb 0.61 -1.68 -0.12 0.00 2.41 0.00 0.00 30.24 31.46 3cfw n GLN 154 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3cfw s PHE 155 N -3.27 1.44 -2.00 3.69 0.40 -1.25 -5.04 117.98 111.95 3cfw s PHE 155 Ca 0.39 -2.22 0.16 0.00 -0.60 0.00 0.00 56.93 54.67 3cfw s PHE 155 Cb 0.37 -1.34 0.98 0.00 0.51 0.00 0.00 43.02 43.54 3cfw s PHE 155 CO -0.06 -0.79 1.39 0.28 0.70 0.00 0.00 175.22 176.74