#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfr h GLN 2 N 0.00 0.26 0.06 1.43 -0.00 -1.83 -3.27 115.11 111.76 1xfr h GLN 2 Ca 0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1xfr h GLN 2 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.40 1xfr h GLN 2 CO 0.00 0.41 -0.37 1.49 0.00 0.00 0.00 178.83 180.37 1xfr h GLU 3 N 0.06 -0.54 0.00 1.69 4.81 -1.97 -0.17 114.58 118.46 1xfr h GLU 3 Ca 0.05 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1xfr h GLU 3 Cb 0.27 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1xfr h GLU 3 CO 0.00 -0.36 -0.29 0.28 -0.73 0.00 0.00 179.01 177.92 1xfr h VAL 4 N -0.56 0.78 -0.03 0.32 2.07 -1.96 -2.93 116.25 113.93 1xfr h VAL 4 Ca 0.04 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1xfr h VAL 4 Cb 0.62 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1xfr h VAL 4 CO -0.25 0.28 0.01 -0.03 0.02 0.00 0.00 177.57 177.60 1xfr h MET 5 N 0.00 0.04 0.16 1.57 4.05 -1.09 0.79 114.93 120.46 1xfr h MET 5 Ca -0.00 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1xfr h MET 5 Cb 0.72 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.48 1xfr h MET 5 CO 0.04 0.20 -0.33 0.87 0.23 0.00 0.00 176.91 177.91 1xfr h LYS 6 N -0.13 -0.57 -0.73 0.39 1.57 -1.34 -1.90 116.57 113.86 1xfr h LYS 6 Ca 0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1xfr h LYS 6 Cb 0.17 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1xfr h LYS 6 CO -0.00 -0.38 0.48 -0.97 -0.57 0.00 0.00 179.45 178.01 1xfr h ASN 7 N -0.59 0.83 0.48 0.86 -1.24 -1.35 0.17 115.58 114.74 1xfr h ASN 7 Ca 0.02 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1xfr h ASN 7 Cb 0.60 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1xfr h ASN 7 CO -0.17 0.59 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.26 1xfr h LEU 8 N 0.97 -0.55 -1.75 0.34 3.38 -0.66 -1.38 115.31 115.66 1xfr h LEU 8 Ca 0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1xfr h LEU 8 Cb -0.09 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xfr h LEU 8 CO -0.06 -0.34 -0.14 0.28 0.09 0.00 0.00 178.44 178.27 1xfr h SER 9 N -0.72 0.00 -0.14 -0.43 0.02 -0.66 0.11 113.55 111.73 1xfr h SER 9 Ca -0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1xfr h SER 9 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xfr h SER 9 CO 0.11 0.14 -0.08 0.25 -1.14 0.00 0.00 176.83 176.11 1xfr h LEU 10 N 0.00 0.31 -0.20 5.07 5.85 -0.57 -1.90 115.31 123.87 1xfr h LEU 10 Ca -0.00 -0.42 -0.21 0.00 0.84 0.00 0.00 57.88 58.09 1xfr h LEU 10 Cb 0.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xfr h LEU 10 CO 0.02 0.67 -0.93 0.78 -0.34 0.00 0.00 178.44 178.63 1xfr h ASN 11 N -0.04 0.21 -0.35 1.25 2.35 -0.85 -2.92 115.58 115.23 1xfr h ASN 11 Ca 0.03 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1xfr h ASN 11 Cb 0.55 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.79 1xfr h ASN 11 CO 0.02 1.03 -0.05 0.15 -1.65 0.00 0.00 177.43 176.93 1xfr h PHE 12 N 0.08 -0.12 0.00 1.19 3.04 -0.77 -1.73 116.94 118.63 1xfr h PHE 12 Ca -0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1xfr h PHE 12 Cb 1.59 0.11 0.00 0.00 2.56 0.00 0.00 35.95 40.21 1xfr h PHE 12 CO 0.03 -0.12 0.00 0.41 -2.02 0.00 0.00 178.31 176.61 1xfr n GLY 13 N -1.27 -0.45 0.31 2.40 0.00 -0.72 -3.63 105.19 101.82 1xfr n GLY 13 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1xfr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfr h LYS 14 N 0.00 1.08 -0.24 1.61 1.57 -1.27 -3.07 116.57 116.24 1xfr h LYS 14 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1xfr h LYS 14 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xfr h LYS 14 CO 0.00 1.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.90 1xfr n ALA 15 N -2.47 2.51 -0.13 3.86 0.00 -1.24 -4.38 120.51 118.66 1xfr n ALA 15 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1xfr n ALA 15 Cb 0.31 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1xfr n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xfr h LEU 16 N 0.94 0.74 -1.01 0.00 5.85 -1.79 -2.72 115.31 117.32 1xfr h LEU 16 Ca 0.00 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 1xfr h LEU 16 Cb 0.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xfr h LEU 16 CO 0.01 0.92 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.78 1xfr h ASP 17 N 0.55 0.00 0.92 1.25 1.82 -1.83 0.12 116.42 119.26 1xfr h ASP 17 Ca 0.10 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1xfr h ASP 17 Cb 0.58 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1xfr h ASP 17 CO 0.03 0.47 -0.44 -0.33 -1.61 0.00 0.00 179.24 177.36 1xfr h GLU 18 N 0.00 -1.20 -0.84 0.28 4.39 -1.85 -2.16 114.58 113.20 1xfr h GLU 18 Ca -0.00 0.08 0.14 0.00 0.34 0.00 0.00 59.36 59.92 1xfr h GLU 18 Cb 0.88 0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 29.74 1xfr h GLU 18 CO 0.06 -0.80 0.55 0.00 -1.16 0.00 0.00 179.01 177.66 1xfr h LYS 20 N 0.60 -0.29 0.00 0.00 1.57 -0.66 -0.30 116.57 117.50 1xfr h LYS 20 Ca 0.42 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1xfr h LYS 20 Cb 0.74 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1xfr h LYS 20 CO -0.17 -0.14 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.34 1xfr h LYS 21 N -0.37 -0.02 0.06 3.15 3.64 -0.69 -0.21 116.57 122.13 1xfr h LYS 21 Ca -0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xfr h LYS 21 Cb 0.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1xfr h LYS 21 CO 0.05 -0.01 -0.49 0.93 -2.27 0.00 0.00 179.45 177.66 1xfr h GLU 22 N -0.02 -0.64 -0.26 1.90 5.08 -0.90 -3.14 114.58 116.61 1xfr h GLU 22 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xfr h GLU 22 Cb 0.02 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1xfr h GLU 22 CO -0.01 -0.42 0.00 -1.33 -1.00 0.00 0.00 179.01 176.25 1xfr n MET 23 N -5.22 2.10 -3.09 2.33 2.81 -0.14 -4.96 117.12 110.95 1xfr n MET 23 Ca -0.07 -1.66 -0.06 0.00 -1.81 0.00 0.00 57.70 54.10 1xfr n MET 23 Cb 0.37 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 1xfr n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1xfr n THR 24 N 0.89 -5.61 -4.73 2.03 -1.04 -0.96 -5.04 114.28 99.81 1xfr n THR 24 Ca 0.17 0.83 -0.31 0.00 -2.04 0.00 0.00 64.05 62.70 1xfr n THR 24 Cb 0.46 -4.44 -0.13 0.00 -1.82 0.00 0.00 70.33 64.41 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -1.49 2.63 0.00 -4.42 1.43 -0.13 -5.03 118.68 111.66 1xfr s LEU 25 Ca 0.07 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1xfr s LEU 25 Cb -0.01 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1xfr s LEU 25 CO 0.39 0.28 0.16 0.35 0.23 0.00 0.00 176.35 177.76 1xfr n THR 26 N 1.75 0.00 1.00 5.49 -2.24 -1.26 -4.81 114.28 114.20 1xfr n THR 26 Ca -0.16 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1xfr n THR 26 Cb 0.52 -1.64 0.28 0.00 -2.10 0.00 0.00 70.33 67.39 1xfr n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xfr n ASP 27 N -3.15 0.46 0.26 3.42 9.92 -1.26 -4.17 116.55 122.03 1xfr n ASP 27 Ca 0.02 -0.19 0.13 0.00 -0.53 0.00 0.00 54.79 54.22 1xfr n ASP 27 Cb 0.08 0.18 0.73 0.00 -0.64 0.00 0.00 41.12 41.47 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfr h ALA 28 N 3.00 1.28 -0.13 2.24 0.00 -2.00 0.21 119.26 123.87 1xfr h ALA 28 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1xfr h ALA 28 Cb 0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xfr h ALA 28 CO 0.00 0.14 -0.67 -0.84 0.00 0.00 0.00 179.25 177.88 1xfr h ILE 29 N 0.00 1.34 0.00 0.00 3.07 -1.95 -2.95 117.51 117.02 1xfr h ILE 29 Ca -0.00 -1.99 0.00 0.00 1.55 0.00 0.00 64.86 64.42 1xfr h ILE 29 Cb 0.33 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 1xfr h ILE 29 CO 0.01 0.61 0.00 0.78 -1.05 0.00 0.00 178.15 178.51 1xfr h ASN 30 N 0.38 0.00 0.03 2.16 2.35 -1.21 -0.29 115.58 119.00 1xfr h ASN 30 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xfr h ASN 30 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1xfr h ASN 30 CO 0.12 0.00 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.81 1xfr h GLU 31 N 0.00 -0.04 0.50 0.81 4.81 -1.25 -2.50 114.58 116.92 1xfr h GLU 31 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xfr h GLU 31 Cb 0.46 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1xfr h GLU 31 CO 0.00 0.66 -0.49 0.22 -0.73 0.00 0.00 179.01 178.67 1xfr h ASP 32 N -0.86 -1.32 -0.22 1.04 3.58 -1.28 0.94 116.42 118.29 1xfr h ASP 32 Ca -0.00 0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.60 1xfr h ASP 32 Cb 0.71 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1xfr h ASP 32 CO 0.01 -0.65 0.15 -0.26 -2.88 0.00 0.00 179.24 175.61 1xfr h PHE 33 N -0.99 0.08 -0.30 0.28 0.04 -1.22 0.52 116.94 115.35 1xfr h PHE 33 Ca -0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.59 1xfr h PHE 33 Cb 0.86 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 1xfr h PHE 33 CO -0.24 0.04 -0.31 -0.92 -0.60 0.00 0.00 178.31 176.28 1xfr h TYR 34 N 0.08 0.90 -0.04 -0.55 3.20 -0.91 -3.36 116.97 116.28 1xfr h TYR 34 Ca 0.10 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1xfr h TYR 34 Cb 0.30 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1xfr h TYR 34 CO -0.00 1.03 0.00 0.27 -1.64 0.00 0.00 178.16 177.82 1xfr n ASN 35 N -4.22 2.52 -0.31 -2.11 0.23 0.27 -4.75 115.26 106.89 1xfr n ASN 35 Ca -0.04 -1.75 0.16 0.00 -0.53 0.00 0.00 54.58 52.43 1xfr n ASN 35 Cb 0.49 -0.01 0.35 0.00 -2.08 0.00 0.00 39.78 38.52 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1xfr h PHE 36 N 3.48 0.58 -0.77 -2.53 3.57 -0.22 0.33 116.94 121.37 1xfr h PHE 36 Ca 0.00 0.04 -0.42 0.00 3.53 0.00 0.00 57.97 61.13 1xfr h PHE 36 Cb 0.75 -0.11 -0.16 0.00 2.79 0.00 0.00 35.95 39.22 1xfr h PHE 36 CO 0.01 -0.17 0.39 0.91 -2.23 0.00 0.00 178.31 177.22 1xfr n TRP 37 N -5.14 1.57 -2.02 0.41 5.03 -1.26 -4.78 117.44 111.25 1xfr n TRP 37 Ca 0.25 -1.97 -0.28 0.00 3.03 0.00 0.00 57.50 58.53 1xfr n TRP 37 Cb 0.77 -1.20 0.11 0.00 -1.03 0.00 0.00 31.31 29.96 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1xfr s LYS 38 N -1.74 1.67 -0.67 -0.99 1.02 0.12 -4.96 119.74 114.18 1xfr s LYS 38 Ca 0.47 -0.17 -0.15 0.00 0.02 0.00 0.00 55.97 56.14 1xfr s LYS 38 Cb 0.32 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.47 1xfr s LYS 38 CO -0.11 -1.71 1.82 -1.91 -0.92 0.00 0.00 175.35 172.52 1xfr n GLU 39 N -3.31 0.13 -2.39 1.68 2.13 -1.26 -3.89 120.64 113.73 1xfr n GLU 39 Ca 0.10 -0.68 -0.09 0.00 0.66 0.00 0.00 57.16 57.15 1xfr n GLU 39 Cb 0.60 -2.40 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xfr n GLY 40 N 5.62 -0.43 3.48 8.31 0.00 -1.26 -4.91 105.19 116.00 1xfr n GLY 40 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 1xfr n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfr n TYR 41 N -3.07 -0.36 -5.12 1.61 4.19 -1.25 -4.99 117.16 108.17 1xfr n TYR 41 Ca -0.11 0.53 -0.32 0.00 3.31 0.00 0.00 57.90 61.31 1xfr n TYR 41 Cb 0.57 -2.01 -0.16 0.00 0.49 0.00 0.00 39.34 38.23 1xfr n TYR 41 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1xfr s GLU 42 N -1.84 2.82 -0.23 2.98 2.12 -1.26 -5.00 118.70 118.29 1xfr s GLU 42 Ca 0.65 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 55.02 1xfr s GLU 42 Cb -0.53 -2.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 1xfr s GLU 42 CO 0.56 0.33 0.25 0.42 -0.54 0.00 0.00 175.26 176.29 1xfr s ILE 43 N -0.02 5.29 0.00 -3.70 1.01 -1.26 -4.93 121.20 117.59 1xfr s ILE 43 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1xfr s ILE 43 Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1xfr s ILE 43 CO 0.05 0.30 0.00 0.29 0.00 0.00 0.00 174.94 175.58 1xfr n LYS 44 N 4.42 2.50 -1.57 2.79 4.76 -1.26 -5.01 118.16 124.79 1xfr n LYS 44 Ca -0.12 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.87 1xfr n LYS 44 Cb 0.52 -0.89 -0.04 0.00 -1.84 0.00 0.00 35.03 32.77 1xfr n LYS 44 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xfr n ASN 45 N -1.81 3.04 0.05 4.39 4.13 -1.26 -4.84 115.26 118.97 1xfr n ASN 45 Ca 0.00 0.25 0.20 0.00 1.68 0.00 0.00 54.58 56.71 1xfr n ASN 45 Cb 0.39 -1.50 0.73 0.00 -1.54 0.00 0.00 39.78 37.86 1xfr n ASN 45 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1xfr h ARG 46 N 14.52 0.00 -0.13 3.52 2.43 -1.95 -1.08 114.38 131.70 1xfr h ARG 46 Ca -0.38 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1xfr h ARG 46 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1xfr h ARG 46 CO 0.97 0.00 -0.15 0.93 -1.51 0.00 0.00 179.97 180.22 1xfr h GLU 47 N 0.00 0.20 -0.31 0.20 5.08 -1.93 -2.27 114.58 115.55 1xfr h GLU 47 Ca 0.21 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1xfr h GLU 47 Cb 0.95 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xfr h GLU 47 CO -0.00 0.35 -0.39 1.79 -1.00 0.00 0.00 179.01 179.76 1xfr h THR 48 N 0.19 1.29 -0.34 1.13 1.35 -1.57 0.24 112.91 115.20 1xfr h THR 48 Ca 0.04 -1.57 0.07 0.00 -0.55 0.00 0.00 66.41 64.40 1xfr h THR 48 Cb 0.38 1.57 -0.07 0.00 -1.73 0.00 0.00 68.15 68.29 1xfr h THR 48 CO 0.02 0.51 -0.14 1.23 -0.25 0.00 0.00 175.52 176.89 1xfr h GLY 49 N 0.57 0.15 1.23 5.82 0.00 -1.59 -0.11 103.07 109.14 1xfr h GLY 49 Ca 0.04 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1xfr h GLY 49 CO 0.09 -0.16 0.26 0.00 0.00 0.00 0.00 176.54 176.73 1xfr h ALA 51 N 1.32 0.47 -0.83 0.00 0.00 0.15 -1.25 119.26 119.13 1xfr h ALA 51 Ca 0.22 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xfr h ALA 51 Cb 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1xfr h ALA 51 CO -0.02 -0.01 0.51 0.82 0.00 0.00 0.00 179.25 180.56 1xfr h ILE 52 N 0.47 1.05 -0.21 0.00 2.04 -0.89 0.96 117.51 120.94 1xfr h ILE 52 Ca 0.13 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xfr h ILE 52 Cb 0.05 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1xfr h ILE 52 CO -0.02 0.17 0.11 -0.03 0.00 0.00 0.00 178.15 178.38 1xfr h MET 53 N 0.95 0.30 -0.11 2.37 4.05 -1.05 -0.05 114.93 121.39 1xfr h MET 53 Ca 0.36 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1xfr h MET 53 Cb 0.14 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1xfr h MET 53 CO -0.16 0.30 0.07 0.00 0.23 0.00 0.00 176.91 177.36 1xfr h LEU 55 N 0.14 0.02 -0.26 0.00 3.38 -0.69 0.10 115.31 118.01 1xfr h LEU 55 Ca 0.04 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1xfr h LEU 55 Cb 0.00 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1xfr h LEU 55 CO -0.01 0.05 -0.50 0.28 0.09 0.00 0.00 178.44 178.35 1xfr h SER 56 N 0.23 -1.61 -0.91 -0.43 0.02 -0.71 0.43 113.55 110.56 1xfr h SER 56 Ca 0.21 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1xfr h SER 56 Cb 0.25 0.66 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1xfr h SER 56 CO -0.26 -0.43 0.53 0.00 -1.14 0.00 0.00 176.83 175.52 1xfr h THR 57 N -0.47 1.26 -0.69 -2.27 1.03 -0.79 0.17 112.91 111.16 1xfr h THR 57 Ca 0.08 -0.59 0.04 0.00 -0.01 0.00 0.00 66.41 65.92 1xfr h THR 57 Cb 0.63 -0.00 -0.05 0.00 -1.07 0.00 0.00 68.15 67.66 1xfr h THR 57 CO -0.50 0.28 0.42 0.11 -0.01 0.00 0.00 175.52 175.82 1xfr h LYS 58 N 1.26 0.79 0.00 0.00 1.79 -0.26 -1.55 116.57 118.60 1xfr h LYS 58 Ca 0.32 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1xfr h LYS 58 Cb -0.02 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1xfr h LYS 58 CO -0.06 0.52 0.00 1.28 -1.08 0.00 0.00 179.45 180.12 1xfr n LEU 59 N -4.69 0.38 -1.80 2.94 4.77 0.07 -4.96 117.00 113.72 1xfr n LEU 59 Ca 0.07 0.54 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 1xfr n LEU 59 Cb 0.10 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1xfr n LEU 59 CO 0.32 -0.09 0.04 -3.20 -1.33 0.00 0.00 177.39 173.14 1xfr n ASN 60 N -1.86 -3.20 -0.20 -1.43 5.15 -0.52 -5.02 115.26 108.18 1xfr n ASN 60 Ca 0.06 0.04 0.03 0.00 -0.60 0.00 0.00 54.58 54.12 1xfr n ASN 60 Cb 0.38 -1.89 0.04 0.00 -0.53 0.00 0.00 39.78 37.78 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1xfr n MET 61 N -0.83 0.83 -4.36 1.20 2.81 0.50 -4.54 117.12 112.73 1xfr n MET 61 Ca 0.01 -1.45 -0.34 0.00 -1.81 0.00 0.00 57.70 54.12 1xfr n MET 61 Cb 0.31 -0.87 -0.15 0.00 -0.71 0.00 0.00 33.22 31.80 1xfr n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xfr s LEU 62 N -1.00 2.65 1.10 4.03 1.43 -1.26 -0.70 118.68 124.94 1xfr s LEU 62 Ca 0.09 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1xfr s LEU 62 Cb 0.08 -1.63 0.24 0.00 0.03 0.00 0.00 46.19 44.92 1xfr s LEU 62 CO 0.01 0.07 1.01 -0.67 0.23 0.00 0.00 176.35 177.00 1xfr n ASP 63 N 4.18 -1.19 0.21 2.29 2.03 -1.26 -4.39 116.55 118.42 1xfr n ASP 63 Ca -0.19 0.01 0.15 0.00 0.52 0.00 0.00 54.79 55.28 1xfr n ASP 63 Cb 0.52 -1.31 0.69 0.00 -0.72 0.00 0.00 41.12 40.29 1xfr n ASP 63 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xfr h PRO 64 N -2.45 0.00 0.10 -0.67 0.13 -1.98 0.80 132.00 127.92 1xfr h PRO 64 Ca -0.56 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.26 1xfr h PRO 64 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1xfr h PRO 64 CO 0.46 0.00 -1.60 0.93 -0.23 0.00 0.00 178.00 177.56 1xfr h GLU 65 N 0.00 0.21 0.00 0.86 5.08 -2.00 -3.48 114.58 115.25 1xfr h GLU 65 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1xfr h GLU 65 Cb 0.27 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xfr h GLU 65 CO 0.00 1.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 1xfr n GLY 66 N 1.68 1.00 0.78 -3.84 0.00 0.27 -5.05 105.19 100.03 1xfr n GLY 66 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xfr n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xfr n ASN 67 N 0.00 1.30 -1.58 1.61 3.02 -1.26 -4.42 115.26 113.93 1xfr n ASN 67 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1xfr n ASN 67 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xfr n LEU 68 N 0.47 -5.33 -4.49 3.41 0.00 -1.26 -4.74 117.00 105.06 1xfr n LEU 68 Ca 0.00 2.54 -0.43 0.00 0.00 0.00 0.00 56.01 58.13 1xfr n LEU 68 Cb 0.24 -2.44 -0.03 0.00 0.00 0.00 0.00 43.42 41.20 1xfr n LEU 68 CO 0.00 -0.91 1.14 -2.28 0.00 0.00 0.00 177.39 175.34 1xfr s HIS 69 N -1.12 2.83 0.35 1.96 5.65 0.12 -4.05 115.29 121.03 1xfr s HIS 69 Ca 0.00 -1.05 0.04 0.00 0.25 0.00 0.00 55.06 54.30 1xfr s HIS 69 Cb 0.00 -4.45 0.68 0.00 -1.18 0.00 0.00 32.58 27.63 1xfr s HIS 69 CO 0.00 -1.69 1.99 0.45 -0.65 0.00 0.00 174.74 174.84 1xfr h HIS 70 N 9.31 0.79 0.07 3.88 -0.00 -1.89 -1.15 115.15 126.16 1xfr h HIS 70 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1xfr h HIS 70 Cb 1.03 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1xfr h HIS 70 CO 1.18 0.46 -0.06 0.78 -0.00 0.00 0.00 177.93 180.29 1xfr h GLY 71 N 0.82 -0.62 0.15 2.45 0.00 -1.98 -0.99 103.07 102.89 1xfr h GLY 71 Ca 0.27 0.27 0.20 0.00 0.00 0.00 0.00 47.33 48.07 1xfr h GLY 71 CO -0.07 -0.23 0.62 3.43 0.00 0.00 0.00 176.54 180.29 1xfr h ASN 72 N -0.13 0.63 -0.64 0.19 4.21 -1.83 -0.39 115.58 117.62 1xfr h ASN 72 Ca -0.01 0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1xfr h ASN 72 Cb 0.11 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.24 1xfr h ASN 72 CO 0.00 0.22 0.42 0.00 -1.29 0.00 0.00 177.43 176.78 1xfr h ALA 73 N 1.63 0.82 -0.43 -0.83 0.00 -1.01 -0.16 119.26 119.28 1xfr h ALA 73 Ca 0.55 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.29 1xfr h ALA 73 Cb 1.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xfr h ALA 73 CO -0.31 0.22 -0.25 1.98 0.00 0.00 0.00 179.25 180.89 1xfr h MET 74 N 0.84 0.92 -0.46 0.00 1.85 -0.17 -2.96 114.93 114.96 1xfr h MET 74 Ca 0.24 -0.42 0.09 0.00 -0.61 0.00 0.00 59.70 59.00 1xfr h MET 74 Cb -0.07 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 31.87 1xfr h MET 74 CO -0.06 1.08 -0.04 1.49 -0.40 0.00 0.00 176.91 178.98 1xfr h GLU 75 N 0.75 0.07 -0.68 0.39 4.22 -0.60 -0.68 114.58 118.04 1xfr h GLU 75 Ca 0.09 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.55 1xfr h GLU 75 Cb 0.83 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1xfr h GLU 75 CO 0.07 0.05 0.42 0.35 -2.18 0.00 0.00 179.01 177.72 1xfr h PHE 76 N 0.07 0.79 0.64 0.92 3.57 -1.01 0.20 116.94 122.13 1xfr h PHE 76 Ca 0.23 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1xfr h PHE 76 Cb 0.34 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1xfr h PHE 76 CO -0.33 0.45 -0.31 0.00 -2.23 0.00 0.00 178.31 175.90 1xfr h ALA 77 N 1.29 -0.86 0.00 2.41 0.00 -1.11 -2.67 119.26 118.33 1xfr h ALA 77 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xfr h ALA 77 Cb 0.02 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 77 CO -0.11 -0.96 -0.14 0.87 0.00 0.00 0.00 179.25 178.92 1xfr h LYS 78 N -0.91 0.00 -0.97 0.00 6.56 -1.05 -1.46 116.57 118.75 1xfr h LYS 78 Ca -0.09 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1xfr h LYS 78 Cb 0.67 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.28 1xfr h LYS 78 CO 0.14 0.14 0.64 -0.22 -2.06 0.00 0.00 179.45 178.09 1xfr h LYS 79 N 0.00 1.22 0.00 3.15 3.64 -0.37 -1.23 116.57 122.98 1xfr h LYS 79 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1xfr h LYS 79 Cb 0.25 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1xfr h LYS 79 CO 0.02 0.81 -0.10 0.45 -2.27 0.00 0.00 179.45 178.36 1xfr h HIS 80 N 1.26 0.00 0.00 1.91 3.86 -1.09 -3.48 115.15 117.61 1xfr h HIS 80 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1xfr h HIS 80 Cb -0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1xfr h HIS 80 CO -0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.19 1xfr n GLY 81 N 1.22 1.21 3.76 2.45 0.00 -0.46 -5.03 105.19 108.34 1xfr n GLY 81 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr s ALA 82 N -2.00 2.78 0.71 4.61 0.00 -0.60 -4.97 121.76 122.29 1xfr s ALA 82 Ca 0.00 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1xfr s ALA 82 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1xfr s ALA 82 CO 0.00 -1.03 1.09 -0.51 0.00 0.00 0.00 175.76 175.31 1xfr s ASP 83 N -1.33 4.95 0.09 0.00 1.11 -1.26 -4.31 116.67 115.91 1xfr s ASP 83 Ca 0.71 1.85 -0.22 0.00 0.18 0.00 0.00 52.55 55.07 1xfr s ASP 83 Cb -0.32 -2.53 -0.12 0.00 1.07 0.00 0.00 42.92 41.01 1xfr s ASP 83 CO 0.37 -1.74 1.70 -0.08 1.18 0.00 0.00 175.17 176.61 1xfr h GLU 84 N -0.54 0.11 -0.65 8.23 4.81 -1.98 0.18 114.58 124.73 1xfr h GLU 84 Ca -0.45 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1xfr h GLU 84 Cb 1.23 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1xfr h GLU 84 CO 0.54 0.13 0.40 1.15 -0.73 0.00 0.00 179.01 180.50 1xfr h THR 85 N 0.05 1.08 0.65 0.32 2.02 -1.99 -1.58 112.91 113.46 1xfr h THR 85 Ca 0.03 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1xfr h THR 85 Cb 0.06 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1xfr h THR 85 CO -0.00 0.14 -0.35 -0.03 0.37 0.00 0.00 175.52 175.65 1xfr h MET 86 N 0.79 -0.89 -0.77 6.66 1.85 -1.81 -1.17 114.93 119.58 1xfr h MET 86 Ca 0.26 0.06 0.09 0.00 -0.61 0.00 0.00 59.70 59.51 1xfr h MET 86 Cb 0.03 0.20 -0.05 0.00 0.43 0.00 0.00 31.60 32.21 1xfr h MET 86 CO -0.11 -0.59 0.51 0.00 -0.40 0.00 0.00 176.91 176.32 1xfr h ALA 87 N -0.60 1.78 -0.42 0.39 0.00 -0.46 0.56 119.26 120.52 1xfr h ALA 87 Ca -0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1xfr h ALA 87 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xfr h ALA 87 CO 0.12 0.06 -0.29 0.37 0.00 0.00 0.00 179.25 179.51 1xfr h GLN 88 N 0.70 0.95 -0.38 0.00 5.75 -1.14 -2.47 115.11 118.52 1xfr h GLN 88 Ca 0.35 -0.45 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 1xfr h GLN 88 Cb 0.44 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 1xfr h GLN 88 CO -0.13 1.11 0.02 1.96 -2.65 0.00 0.00 178.83 179.14 1xfr h GLN 89 N 0.78 0.12 -0.11 1.69 4.20 0.32 0.19 115.11 122.30 1xfr h GLN 89 Ca 0.08 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1xfr h GLN 89 Cb 0.87 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.57 1xfr h GLN 89 CO 0.08 0.08 -0.31 -0.07 -0.67 0.00 0.00 178.83 177.94 1xfr h LEU 90 N 0.12 -0.95 -0.70 1.46 -0.00 -1.03 -1.77 115.31 112.45 1xfr h LEU 90 Ca 0.18 0.14 -0.06 0.00 -0.00 0.00 0.00 57.88 58.14 1xfr h LEU 90 Cb 0.25 0.40 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 1xfr h LEU 90 CO -0.29 -0.35 0.19 0.40 -0.00 0.00 0.00 178.44 178.38 1xfr h ILE 91 N -0.39 1.26 -0.64 1.22 5.03 -1.00 -1.54 117.51 121.45 1xfr h ILE 91 Ca 0.09 -0.94 0.01 0.00 -0.12 0.00 0.00 64.86 63.90 1xfr h ILE 91 Cb 0.53 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 1xfr h ILE 91 CO -0.33 0.36 0.43 0.44 -0.68 0.00 0.00 178.15 178.36 1xfr h ASP 92 N 1.04 0.74 -0.19 1.72 3.32 -0.23 0.36 116.42 123.18 1xfr h ASP 92 Ca 0.22 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1xfr h ASP 92 Cb 0.35 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xfr h ASP 92 CO -0.00 0.54 -0.47 0.40 -1.72 0.00 0.00 179.24 177.99 1xfr h ILE 93 N 0.87 1.32 0.35 0.35 2.04 -1.22 -0.64 117.51 120.59 1xfr h ILE 93 Ca 0.24 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1xfr h ILE 93 Cb -0.10 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1xfr h ILE 93 CO -0.05 0.53 -0.17 0.58 0.00 0.00 0.00 178.15 179.04 1xfr h VAL 94 N 0.33 0.66 -0.93 1.67 2.07 -0.91 -2.32 116.25 116.83 1xfr h VAL 94 Ca -0.01 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.42 1xfr h VAL 94 Cb 1.08 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 1xfr h VAL 94 CO 0.10 0.05 0.59 -0.74 0.02 0.00 0.00 177.57 177.60 1xfr h HIS 95 N -0.62 0.86 0.00 1.57 -0.00 -0.35 -0.12 115.15 116.49 1xfr h HIS 95 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1xfr h HIS 95 Cb 0.45 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1xfr h HIS 95 CO -0.02 0.28 0.00 0.41 -0.00 0.00 0.00 177.93 178.60 1xfr n GLY 96 N -1.42 -0.68 0.00 5.26 0.00 -0.25 -3.60 105.19 104.51 1xfr n GLY 96 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xfr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 4.39 -1.23 -0.21 114.58 117.53 1xfr h GLU 98 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1xfr h GLU 98 Cb 0.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xfr h GLU 98 CO 0.00 0.00 -1.48 1.63 -1.16 0.00 0.00 179.01 178.00 1xfr n LYS 99 N -2.95 0.18 -0.08 2.33 4.01 -1.26 -4.82 118.16 115.57 1xfr n LYS 99 Ca -0.02 0.08 -0.07 0.00 -0.51 0.00 0.00 58.31 57.78 1xfr n LYS 99 Cb 0.28 -0.86 -0.01 0.00 -0.51 0.00 0.00 35.03 33.93 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1xfr h SER 100 N -0.26 -0.83 -2.40 4.39 0.02 -1.70 -3.42 113.55 109.35 1xfr h SER 100 Ca -0.21 0.15 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1xfr h SER 100 Cb 1.20 0.40 0.03 0.00 0.14 0.00 0.00 62.40 64.18 1xfr h SER 100 CO -0.12 -0.28 1.14 0.41 -1.14 0.00 0.00 176.83 176.84 1xfr n THR 101 N -5.39 0.50 -2.41 -2.27 -1.04 -0.13 -4.94 114.28 98.61 1xfr n THR 101 Ca 0.00 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1xfr n THR 101 Cb 0.30 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 1xfr n THR 101 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xfr s PRO 102 N 3.33 4.51 0.18 -2.82 0.04 -1.26 -4.96 135.00 134.02 1xfr s PRO 102 Ca 0.85 1.83 -0.10 0.00 0.04 0.00 0.00 61.00 63.63 1xfr s PRO 102 Cb -0.49 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 1xfr s PRO 102 CO 0.40 -0.07 0.32 0.00 0.04 0.00 0.00 177.00 177.68 1xfr s ALA 103 N 0.02 -0.02 0.68 8.56 0.00 -1.26 -4.88 121.76 124.86 1xfr s ALA 103 Ca 0.53 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1xfr s ALA 103 Cb -0.32 0.92 0.11 0.00 0.00 0.00 0.00 23.12 23.83 1xfr s ALA 103 CO 0.35 -0.68 0.71 0.27 0.00 0.00 0.00 175.76 176.42 1xfr n ASN 104 N -0.25 0.80 0.08 0.00 0.23 -1.26 -4.99 115.26 109.87 1xfr n ASN 104 Ca -0.06 -1.71 0.08 0.00 -0.53 0.00 0.00 54.58 52.35 1xfr n ASN 104 Cb 0.63 -0.48 0.36 0.00 -2.08 0.00 0.00 39.78 38.21 1xfr n ASN 104 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xfr n ASP 105 N -3.03 0.33 -4.55 0.53 8.00 -1.26 -4.48 116.55 112.09 1xfr n ASP 105 Ca 0.11 0.62 -0.33 0.00 0.71 0.00 0.00 54.79 55.90 1xfr n ASP 105 Cb 0.40 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1xfr n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xfr s ASP 106 N -3.62 4.63 0.58 -2.24 1.01 -1.26 -4.80 116.67 110.98 1xfr s ASP 106 Ca 0.02 0.60 0.29 0.00 0.71 0.00 0.00 52.55 54.17 1xfr s ASP 106 Cb 0.06 -2.52 1.49 0.00 1.01 0.00 0.00 42.92 42.96 1xfr s ASP 106 CO 0.21 -2.88 1.93 0.11 0.21 0.00 0.00 175.17 174.76 1xfr h LYS 107 N 16.79 0.00 0.40 8.23 1.79 -1.99 -0.29 116.57 141.49 1xfr h LYS 107 Ca -0.19 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1xfr h LYS 107 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1xfr h LYS 107 CO 1.16 0.00 -0.19 0.00 -1.08 0.00 0.00 179.45 179.34 1xfr h ILE 109 N -0.63 1.25 0.00 0.00 1.08 -1.37 -0.55 117.51 117.30 1xfr h ILE 109 Ca -0.05 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1xfr h ILE 109 Cb 0.46 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1xfr h ILE 109 CO 0.09 0.38 0.00 1.87 -0.69 0.00 0.00 178.15 179.80 1xfr n TRP 110 N -4.21 0.00 0.25 1.37 -0.00 -0.49 -2.50 117.44 111.86 1xfr n TRP 110 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.63 1xfr n TRP 110 Cb 0.30 -0.35 0.67 0.00 -0.00 0.00 0.00 31.31 31.93 1xfr n TRP 110 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 1xfr h THR 111 N 0.00 0.93 -0.17 5.87 2.02 -1.19 0.08 112.91 120.46 1xfr h THR 111 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1xfr h THR 111 Cb 0.00 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.32 1xfr h THR 111 CO 0.00 0.00 -0.44 0.25 0.37 0.00 0.00 175.52 175.70 1xfr h LEU 112 N 0.00 -1.38 -0.78 2.58 6.46 -1.08 0.74 115.31 121.84 1xfr h LEU 112 Ca 0.02 0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.83 1xfr h LEU 112 Cb 0.06 0.56 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1xfr h LEU 112 CO -0.00 -0.42 -0.48 1.23 -0.62 0.00 0.00 178.44 178.14 1xfr h GLY 113 N -0.48 0.34 1.62 3.75 0.00 -0.71 0.19 103.07 107.78 1xfr h GLY 113 Ca 0.08 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1xfr h GLY 113 CO -0.43 0.32 -0.31 -2.08 0.00 0.00 0.00 176.54 174.04 1xfr h VAL 114 N 0.25 1.28 -0.14 4.60 2.07 -0.94 -0.67 116.25 122.69 1xfr h VAL 114 Ca 0.01 -1.36 -0.23 0.00 0.82 0.00 0.00 66.70 65.94 1xfr h VAL 114 Cb 0.94 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1xfr h VAL 114 CO 0.08 0.43 -0.80 0.00 0.02 0.00 0.00 177.57 177.29 1xfr h ALA 115 N 1.29 0.30 -0.36 1.67 0.00 -0.63 -3.19 119.26 118.34 1xfr h ALA 115 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1xfr h ALA 115 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xfr h ALA 115 CO 0.06 0.69 -0.14 1.15 0.00 0.00 0.00 179.25 181.00 1xfr h THR 116 N 0.53 1.28 0.27 0.00 2.02 -0.59 0.20 112.91 116.62 1xfr h THR 116 Ca -0.06 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1xfr h THR 116 Cb 1.43 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1xfr h THR 116 CO 0.16 0.41 -0.23 0.00 0.37 0.00 0.00 175.52 176.24 1xfr h PHE 118 N -0.51 0.82 -0.10 0.00 3.57 -1.51 -2.08 116.94 117.13 1xfr h PHE 118 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1xfr h PHE 118 Cb 0.46 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1xfr h PHE 118 CO -0.14 0.34 -0.15 -0.22 -2.23 0.00 0.00 178.31 175.91 1xfr h LYS 119 N 0.77 -0.19 -0.90 1.11 3.11 -0.39 -0.92 116.57 119.16 1xfr h LYS 119 Ca 0.38 0.01 0.15 0.00 -2.81 0.00 0.00 60.65 58.38 1xfr h LYS 119 Cb 0.33 0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.51 1xfr h LYS 119 CO -0.24 -0.13 0.50 0.00 -2.81 0.00 0.00 179.45 176.77 1xfr h ALA 120 N 0.83 1.37 -0.58 5.00 0.00 -1.03 -1.44 119.26 123.41 1xfr h ALA 120 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xfr h ALA 120 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xfr h ALA 120 CO -0.22 -0.03 0.30 0.93 0.00 0.00 0.00 179.25 180.22 1xfr h GLU 121 N 0.71 0.83 -0.90 0.00 4.39 -0.96 -2.18 114.58 116.46 1xfr h GLU 121 Ca 0.48 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 60.10 1xfr h GLU 121 Cb 0.66 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1xfr h GLU 121 CO -0.35 0.66 0.59 0.82 -1.16 0.00 0.00 179.01 179.57 1xfr h ILE 122 N 0.79 1.17 -0.41 3.13 1.08 -0.15 0.20 117.51 123.32 1xfr h ILE 122 Ca 0.20 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1xfr h ILE 122 Cb 0.09 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 1xfr h ILE 122 CO -0.03 0.21 0.24 0.45 -0.69 0.00 0.00 178.15 178.33 1xfr h HIS 123 N 1.16 0.45 -0.54 1.37 3.86 -1.16 -2.06 115.15 118.24 1xfr h HIS 123 Ca 0.35 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.54 1xfr h HIS 123 Cb -0.04 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1xfr h HIS 123 CO -0.01 0.26 0.21 0.87 0.86 0.00 0.00 177.93 180.11 1xfr h LYS 124 N 0.48 0.81 0.00 2.45 1.57 -0.62 -2.75 116.57 118.52 1xfr h LYS 124 Ca 0.16 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xfr h LYS 124 Cb 0.01 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xfr h LYS 124 CO -0.08 0.71 0.00 -0.07 -0.57 0.00 0.00 179.45 179.45 1xfr h LEU 125 N 0.73 0.00 -1.03 2.94 3.38 -0.38 -3.46 115.31 117.49 1xfr h LEU 125 Ca 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1xfr h LEU 125 Cb 0.21 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.05 1xfr h LEU 125 CO -0.01 0.00 -0.43 -3.20 0.09 0.00 0.00 178.44 174.89 1xfr n ASN 126 N -2.34 -4.37 -1.16 -0.43 5.15 -0.82 -4.91 115.26 106.39 1xfr n ASN 126 Ca 0.01 -0.34 -0.04 0.00 -0.60 0.00 0.00 54.58 53.61 1xfr n ASN 126 Cb 0.18 -3.32 0.20 0.00 -0.53 0.00 0.00 39.78 36.31 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1xfr n TRP 127 N -3.91 1.06 -0.93 1.20 8.01 -0.93 -4.48 117.44 117.45 1xfr n TRP 127 Ca -0.02 -1.61 0.00 0.00 -1.31 0.00 0.00 57.50 54.56 1xfr n TRP 127 Cb 0.55 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68