#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 0.59 -0.14 1.43 -0.00 -1.85 -2.56 115.11 112.57 1xfr h GLN 2 Ca 0.00 -0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.66 1xfr h GLN 2 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 27.48 27.29 1xfr h GLN 2 CO 0.00 0.39 -0.25 1.49 0.00 0.00 0.00 178.83 180.46 1xfr h GLU 3 N 0.60 -0.30 -0.12 1.69 4.81 -1.97 -0.40 114.58 118.90 1xfr h GLU 3 Ca 0.31 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1xfr h GLU 3 Cb 0.27 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xfr h GLU 3 CO -0.23 -0.20 0.06 0.28 -0.73 0.00 0.00 179.01 178.19 1xfr h VAL 4 N -0.31 1.01 -0.89 0.32 2.07 -1.89 -2.16 116.25 114.39 1xfr h VAL 4 Ca 0.10 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.71 1xfr h VAL 4 Cb 0.47 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1xfr h VAL 4 CO -0.32 0.02 0.50 -0.03 0.02 0.00 0.00 177.57 177.76 1xfr h MET 5 N 0.13 0.73 -0.21 1.57 4.05 -0.98 0.17 114.93 120.39 1xfr h MET 5 Ca 0.05 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1xfr h MET 5 Cb 0.00 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1xfr h MET 5 CO -0.03 0.49 0.12 -0.22 0.23 0.00 0.00 176.91 177.50 1xfr h LYS 6 N 0.76 0.24 -0.88 0.39 1.63 -0.64 -0.31 116.57 117.75 1xfr h LYS 6 Ca 0.46 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.36 1xfr h LYS 6 Cb 0.56 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.07 1xfr h LYS 6 CO -0.31 0.16 0.57 -0.97 -3.45 0.00 0.00 179.45 175.44 1xfr h ASN 7 N 0.25 0.74 -0.10 4.20 -1.24 -0.38 0.98 115.58 120.04 1xfr h ASN 7 Ca 0.08 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1xfr h ASN 7 Cb -0.00 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 1xfr h ASN 7 CO -0.04 0.42 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.44 1xfr h LEU 8 N 0.81 0.18 -0.81 0.34 4.07 0.15 -0.72 115.31 119.34 1xfr h LEU 8 Ca 0.42 -0.35 0.07 0.00 0.08 0.00 0.00 57.88 58.10 1xfr h LEU 8 Cb 0.49 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.12 1xfr h LEU 8 CO -0.18 0.49 0.48 -1.28 -1.08 0.00 0.00 178.44 176.87 1xfr h SER 9 N -0.13 0.73 -0.01 -0.43 0.87 -0.41 0.39 113.55 114.56 1xfr h SER 9 Ca 0.03 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1xfr h SER 9 Cb 0.40 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1xfr h SER 9 CO 0.01 0.45 0.01 0.25 -0.53 0.00 0.00 176.83 177.02 1xfr h LEU 10 N 0.86 0.02 -0.20 2.23 5.85 -0.73 -2.45 115.31 120.88 1xfr h LEU 10 Ca 0.37 -0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1xfr h LEU 10 Cb 0.23 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xfr h LEU 10 CO -0.20 0.19 -0.55 0.78 -0.34 0.00 0.00 178.44 178.32 1xfr h ASN 11 N -0.15 0.84 -0.69 1.25 2.35 -0.83 -2.99 115.58 115.36 1xfr h ASN 11 Ca 0.00 -0.58 0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1xfr h ASN 11 Cb 0.17 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 1xfr h ASN 11 CO -0.00 1.26 0.39 0.15 -1.65 0.00 0.00 177.43 177.59 1xfr h PHE 12 N 0.45 0.73 0.00 1.19 3.04 -0.89 -1.43 116.94 120.03 1xfr h PHE 12 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1xfr h PHE 12 Cb 1.17 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1xfr h PHE 12 CO 0.09 0.36 0.00 0.41 -2.02 0.00 0.00 178.31 177.15 1xfr n GLY 13 N -1.29 0.07 0.31 2.40 0.00 -0.93 -4.19 105.19 101.57 1xfr n GLY 13 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 0.06 -0.57 -1.00 1.61 1.79 -1.17 -3.09 116.57 114.19 1xfr h LYS 14 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xfr h LYS 14 Cb 0.19 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1xfr h LYS 14 CO 0.00 -0.38 0.00 0.00 -1.08 0.00 0.00 179.45 177.99 1xfr n ALA 15 N -2.63 2.48 0.08 3.86 0.00 -1.26 -4.45 120.51 118.61 1xfr n ALA 15 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1xfr n ALA 15 Cb 0.28 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 0.61 -0.12 -1.24 0.00 5.85 -1.82 -1.44 115.31 117.16 1xfr h LEU 16 Ca 0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xfr h LEU 16 Cb 0.79 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1xfr h LEU 16 CO 0.00 -0.01 0.16 -0.78 -0.34 0.00 0.00 178.44 177.47 1xfr h ASP 17 N -0.23 0.63 0.63 1.25 3.58 -1.86 0.10 116.42 120.52 1xfr h ASP 17 Ca -0.01 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1xfr h ASP 17 Cb 0.18 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1xfr h ASP 17 CO 0.02 0.59 -0.48 -0.33 -2.88 0.00 0.00 179.24 176.17 1xfr h GLU 18 N 0.68 -1.03 -0.48 0.28 4.39 -1.85 -0.66 114.58 115.90 1xfr h GLU 18 Ca 0.16 0.07 0.10 0.00 0.34 0.00 0.00 59.36 60.03 1xfr h GLU 18 Cb 0.18 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1xfr h GLU 18 CO -0.01 -0.69 0.33 0.00 -1.16 0.00 0.00 179.01 177.48 1xfr h LYS 20 N 0.21 -0.76 -0.75 0.00 1.57 -0.50 -3.02 116.57 113.32 1xfr h LYS 20 Ca 0.22 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1xfr h LYS 20 Cb 0.61 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1xfr h LYS 20 CO -0.04 -0.46 0.32 0.87 -0.57 0.00 0.00 179.45 179.57 1xfr h LYS 21 N -0.97 1.10 -0.53 3.15 6.56 -0.33 0.46 116.57 126.01 1xfr h LYS 21 Ca -0.08 -0.18 0.09 0.00 -1.06 0.00 0.00 60.65 59.42 1xfr h LYS 21 Cb 0.66 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 1xfr h LYS 21 CO 0.13 0.88 0.36 0.93 -2.06 0.00 0.00 179.45 179.68 1xfr h GLU 22 N 1.08 0.34 0.00 3.15 4.39 -0.75 -3.21 114.58 119.57 1xfr h GLU 22 Ca 0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1xfr h GLU 22 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1xfr h GLU 22 CO -0.03 0.22 0.00 -1.33 -1.16 0.00 0.00 179.01 176.72 1xfr n MET 23 N -4.47 0.66 -3.10 2.33 2.81 -1.12 -5.04 117.12 109.20 1xfr n MET 23 Ca 0.08 -0.28 -0.15 0.00 -1.81 0.00 0.00 57.70 55.54 1xfr n MET 23 Cb 0.34 -0.75 0.02 0.00 -0.71 0.00 0.00 33.22 32.13 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 -0.17 -7.41 -4.13 2.03 -1.04 -0.02 -5.07 114.28 98.47 1xfr n THR 24 Ca 0.00 0.74 -0.29 0.00 -2.04 0.00 0.00 64.05 62.46 1xfr n THR 24 Cb 0.05 -5.29 -0.08 0.00 -1.82 0.00 0.00 70.33 63.19 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 -2.11 3.49 0.71 -4.42 1.43 -0.21 -5.03 118.68 112.55 1xfr s LEU 25 Ca 0.21 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1xfr s LEU 25 Cb -0.04 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1xfr s LEU 25 CO 0.67 0.15 1.07 0.42 0.23 0.00 0.00 176.35 178.89 1xfr s THR 26 N -1.42 3.88 -0.20 5.49 -4.23 -1.26 -4.73 115.64 113.17 1xfr s THR 26 Ca 0.27 0.61 0.29 0.00 -1.18 0.00 0.00 61.69 61.68 1xfr s THR 26 Cb -0.11 -3.38 0.35 0.00 1.34 0.00 0.00 72.50 70.70 1xfr s THR 26 CO 0.19 -0.80 1.83 -0.78 -0.54 0.00 0.00 174.62 174.53 1xfr h ASP 27 N -0.76 0.00 0.01 3.99 3.58 -1.99 -3.12 116.42 118.12 1xfr h ASP 27 Ca -0.44 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 1xfr h ASP 27 Cb 1.22 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 1xfr h ASP 27 CO 0.58 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.94 1xfr h ALA 28 N 2.10 1.37 0.00 -0.78 0.00 -2.02 -1.23 119.26 118.69 1xfr h ALA 28 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xfr h ALA 28 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xfr h ALA 28 CO 0.00 0.00 -0.08 -0.84 0.00 0.00 0.00 179.25 178.33 1xfr h ILE 29 N 0.00 0.42 -0.82 0.00 3.07 -1.93 -0.28 117.51 117.97 1xfr h ILE 29 Ca -0.00 -0.43 0.11 0.00 1.55 0.00 0.00 64.86 66.09 1xfr h ILE 29 Cb 0.01 1.30 -0.06 0.00 -0.27 0.00 0.00 36.82 37.79 1xfr h ILE 29 CO 0.00 0.08 0.54 0.78 -1.05 0.00 0.00 178.15 178.50 1xfr h ASN 30 N 0.00 0.65 -0.41 2.16 2.35 -1.46 -0.72 115.58 118.15 1xfr h ASN 30 Ca -0.00 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1xfr h ASN 30 Cb 0.29 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1xfr h ASN 30 CO 0.01 0.37 -0.31 -0.33 -1.65 0.00 0.00 177.43 175.53 1xfr h GLU 31 N 0.71 0.93 -0.31 0.81 5.08 -1.22 1.00 114.58 121.58 1xfr h GLU 31 Ca 0.39 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1xfr h GLU 31 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1xfr h GLU 31 CO -0.16 1.11 -0.13 0.22 -1.00 0.00 0.00 179.01 179.05 1xfr h ASP 32 N 0.75 0.65 -0.45 1.42 3.58 -1.26 -0.46 116.42 120.65 1xfr h ASP 32 Ca 0.08 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 1xfr h ASP 32 Cb 0.89 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 1xfr h ASP 32 CO 0.08 0.90 -0.04 -0.26 -2.88 0.00 0.00 179.24 177.04 1xfr h PHE 33 N 0.39 0.91 -0.85 0.28 0.04 -1.19 0.39 116.94 116.91 1xfr h PHE 33 Ca 0.07 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 1xfr h PHE 33 Cb 0.64 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1xfr h PHE 33 CO 0.06 0.89 0.45 -0.92 -0.60 0.00 0.00 178.31 178.19 1xfr h TYR 34 N 0.66 1.17 -0.55 -0.55 3.20 -0.73 -2.42 116.97 117.77 1xfr h TYR 34 Ca 0.12 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1xfr h TYR 34 Cb 0.55 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xfr h TYR 34 CO 0.04 0.82 0.00 0.09 -1.64 0.00 0.00 178.16 177.47 1xfr n ASN 35 N -4.33 3.81 0.25 -2.11 3.02 -0.19 -4.49 115.26 111.22 1xfr n ASN 35 Ca 0.09 -2.29 0.07 0.00 -0.03 0.00 0.00 54.58 52.43 1xfr n ASN 35 Cb 0.11 -0.50 0.61 0.00 -0.61 0.00 0.00 39.78 39.39 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 3.38 0.00 -0.70 3.10 3.57 -0.38 -1.21 116.94 124.69 1xfr h PHE 36 Ca 0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 1xfr h PHE 36 Cb 1.14 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.68 1xfr h PHE 36 CO 0.58 0.05 0.31 0.91 -2.23 0.00 0.00 178.31 177.94 1xfr n TRP 37 N -4.46 2.19 -0.99 0.41 5.03 -1.26 -4.94 117.44 113.41 1xfr n TRP 37 Ca -0.03 -1.63 -0.29 0.00 3.03 0.00 0.00 57.50 58.58 1xfr n TRP 37 Cb 0.13 -0.72 0.22 0.00 -1.03 0.00 0.00 31.31 29.92 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 -3.22 -0.81 -0.21 -0.99 1.02 -0.46 -4.96 119.74 110.12 1xfr s LYS 38 Ca 0.52 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.80 1xfr s LYS 38 Cb 0.44 -1.62 0.45 0.00 -0.52 0.00 0.00 37.83 36.58 1xfr s LYS 38 CO 0.07 -3.50 1.41 -0.85 -0.92 0.00 0.00 175.35 171.57 1xfr n GLU 39 N -4.67 2.52 0.00 1.68 0.28 -1.26 -4.31 120.64 114.88 1xfr n GLU 39 Ca 0.09 -1.86 0.00 0.00 -0.16 0.00 0.00 57.16 55.23 1xfr n GLU 39 Cb 0.58 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.62 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xfr n GLY 40 N -0.08 -0.17 3.67 -1.84 0.00 -1.26 -5.14 105.19 100.37 1xfr n GLY 40 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.08 -4.44 1.61 4.19 -1.26 -5.01 117.16 114.33 1xfr n TYR 41 Ca 0.00 0.57 -0.35 0.00 3.31 0.00 0.00 57.90 61.43 1xfr n TYR 41 Cb 0.00 -2.39 -0.10 0.00 0.49 0.00 0.00 39.34 37.34 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 -1.61 2.91 -0.37 2.98 2.12 -1.26 -5.01 118.70 118.47 1xfr s GLU 42 Ca 0.58 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 1xfr s GLU 42 Cb -0.61 -2.74 0.08 0.00 0.26 0.00 0.00 34.13 31.13 1xfr s GLU 42 CO 0.60 0.69 0.15 0.42 -0.54 0.00 0.00 175.26 176.58 1xfr s ILE 43 N -0.87 3.41 0.00 -3.70 1.01 -1.26 -4.90 121.20 114.90 1xfr s ILE 43 Ca 0.13 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1xfr s ILE 43 Cb -0.11 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1xfr s ILE 43 CO 0.02 -0.44 0.01 0.29 0.00 0.00 0.00 174.94 174.82 1xfr n LYS 44 N 4.68 2.63 -1.78 2.79 5.02 -1.26 -5.00 118.16 125.23 1xfr n LYS 44 Ca -0.08 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1xfr n LYS 44 Cb 0.43 -0.23 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xfr s ASN 45 N -0.38 5.17 0.53 4.39 3.84 -1.26 -4.84 114.94 122.39 1xfr s ASN 45 Ca 0.00 1.12 0.21 0.00 0.21 0.00 0.00 52.86 54.39 1xfr s ASN 45 Cb 0.00 -2.52 1.35 0.00 -0.55 0.00 0.00 41.25 39.53 1xfr s ASN 45 CO 0.00 -2.31 2.08 -0.09 -2.79 0.00 0.00 177.10 174.00 1xfr h ARG 46 N 16.04 0.00 0.00 0.43 2.43 -1.94 -0.42 114.38 130.92 1xfr h ARG 46 Ca -0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1xfr h ARG 46 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1xfr h ARG 46 CO 1.10 0.00 -0.13 0.93 -1.51 0.00 0.00 179.97 180.36 1xfr h GLU 47 N 0.00 0.00 -0.18 0.20 3.07 -1.94 -1.70 114.58 114.03 1xfr h GLU 47 Ca 0.11 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1xfr h GLU 47 Cb 0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xfr h GLU 47 CO -0.00 0.13 -0.30 1.79 -1.40 0.00 0.00 179.01 179.23 1xfr h THR 48 N 0.00 1.34 -0.41 1.13 1.35 -1.46 0.52 112.91 115.38 1xfr h THR 48 Ca -0.00 -1.53 0.08 0.00 -0.55 0.00 0.00 66.41 64.41 1xfr h THR 48 Cb 0.42 1.88 -0.09 0.00 -1.73 0.00 0.00 68.15 68.64 1xfr h THR 48 CO 0.02 0.47 -0.30 1.23 -0.25 0.00 0.00 175.52 176.68 1xfr h GLY 49 N 0.18 -0.17 1.91 5.82 0.00 -1.40 0.65 103.07 110.05 1xfr h GLY 49 Ca 0.01 0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.63 1xfr h GLY 49 CO 0.07 -0.21 -0.45 0.00 0.00 0.00 0.00 176.54 175.95 1xfr h ALA 51 N 1.46 0.54 -0.38 0.00 0.00 0.21 -0.73 119.26 120.37 1xfr h ALA 51 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 51 Cb 0.83 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1xfr h ALA 51 CO 0.06 0.02 0.19 0.82 0.00 0.00 0.00 179.25 180.34 1xfr h ILE 52 N 0.57 0.97 -0.20 0.00 2.04 -0.68 0.15 117.51 120.36 1xfr h ILE 52 Ca 0.16 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1xfr h ILE 52 Cb -0.03 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1xfr h ILE 52 CO -0.03 0.07 0.13 -0.03 0.00 0.00 0.00 178.15 178.29 1xfr h MET 53 N 0.38 0.27 -0.34 2.37 4.05 -1.16 0.16 114.93 120.66 1xfr h MET 53 Ca 0.16 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.59 1xfr h MET 53 Cb 0.07 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1xfr h MET 53 CO -0.12 0.19 0.18 0.00 0.23 0.00 0.00 176.91 177.39 1xfr h LEU 55 N 0.37 0.13 -0.81 0.00 3.38 -0.35 -1.86 115.31 116.17 1xfr h LEU 55 Ca 0.14 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.27 1xfr h LEU 55 Cb 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1xfr h LEU 55 CO -0.09 0.10 0.34 -1.28 0.09 0.00 0.00 178.44 177.61 1xfr h SER 56 N 0.15 0.32 0.02 -0.43 0.87 -0.35 0.15 113.55 114.27 1xfr h SER 56 Ca 0.04 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1xfr h SER 56 Cb -0.01 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1xfr h SER 56 CO -0.01 0.09 -0.27 0.74 -0.53 0.00 0.00 176.83 176.85 1xfr h THR 57 N 0.46 0.39 0.00 2.23 2.02 -0.47 -0.99 112.91 116.55 1xfr h THR 57 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1xfr h THR 57 Cb 0.76 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1xfr h THR 57 CO -0.44 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.74 1xfr n LYS 58 N -5.38 0.17 0.00 6.66 4.76 0.39 -0.12 118.16 124.63 1xfr n LYS 58 Ca -0.05 0.33 0.16 0.00 -2.87 0.00 0.00 58.31 55.88 1xfr n LYS 58 Cb 0.30 -1.78 0.90 0.00 -1.84 0.00 0.00 35.03 32.60 1xfr n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xfr n LEU 59 N -2.09 0.10 -2.45 -0.35 7.99 -0.33 -4.90 117.00 114.97 1xfr n LEU 59 Ca 0.03 -0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.83 1xfr n LEU 59 Cb 0.27 -0.03 -0.01 0.00 -0.11 0.00 0.00 43.42 43.54 1xfr n LEU 59 CO 0.21 0.02 -0.24 -3.20 -1.51 0.00 0.00 177.39 172.67 1xfr n ASN 60 N -0.96 -5.62 0.00 -1.43 5.15 0.82 -4.92 115.26 108.31 1xfr n ASN 60 Ca 0.23 -0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.32 1xfr n ASN 60 Cb 0.14 -4.68 0.67 0.00 -0.53 0.00 0.00 39.78 35.38 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 -3.04 1.00 -4.62 1.20 2.81 -0.40 -4.77 117.12 109.30 1xfr n MET 61 Ca -0.22 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.34 1xfr n MET 61 Cb 0.67 -1.35 -0.16 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.70 2.28 1.07 4.03 1.02 -1.25 -0.50 118.68 123.62 1xfr s LEU 62 Ca 0.34 -0.54 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 1xfr s LEU 62 Cb 0.15 -1.50 0.23 0.00 0.02 0.00 0.00 46.19 45.10 1xfr s LEU 62 CO 0.26 0.08 1.07 -0.62 0.02 0.00 0.00 176.35 177.16 1xfr s ASP 63 N 0.81 1.76 0.40 2.29 2.15 0.28 -4.85 116.67 119.51 1xfr s ASP 63 Ca -0.06 1.66 0.29 0.00 0.43 0.00 0.00 52.55 54.86 1xfr s ASP 63 Cb -0.15 -2.33 1.27 0.00 -0.30 0.00 0.00 42.92 41.40 1xfr s ASP 63 CO -0.01 -3.74 1.86 1.55 -0.17 0.00 0.00 175.17 174.66 1xfr h PRO 64 N -2.31 0.00 -0.00 4.34 0.13 -2.00 0.11 132.00 132.27 1xfr h PRO 64 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1xfr h PRO 64 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xfr h PRO 64 CO 0.49 0.00 -0.44 0.39 -0.23 0.00 0.00 178.00 178.21 1xfr n GLU 65 N -2.60 0.00 -0.04 0.86 -0.58 -1.26 -4.94 120.64 112.08 1xfr n GLU 65 Ca 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1xfr n GLU 65 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfr n GLY 66 N 1.50 0.98 3.90 0.62 0.00 0.38 -5.10 105.19 107.46 1xfr n GLY 66 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1xfr n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfr s ASN 67 N -2.03 6.49 0.06 1.61 0.01 -1.25 -4.81 114.94 115.03 1xfr s ASN 67 Ca 0.00 0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 52.62 1xfr s ASN 67 Cb 0.00 -2.17 -0.07 0.00 0.41 0.00 0.00 41.25 39.42 1xfr s ASN 67 CO 0.00 -0.17 1.42 -0.22 -1.51 0.00 0.00 177.10 176.62 1xfr s LEU 68 N -3.36 4.35 -0.73 0.60 0.20 -1.26 -0.55 118.68 117.92 1xfr s LEU 68 Ca 0.45 2.25 -0.17 0.00 0.69 0.00 0.00 54.13 57.35 1xfr s LEU 68 Cb -0.11 -3.57 0.14 0.00 -0.43 0.00 0.00 46.19 42.22 1xfr s LEU 68 CO 0.28 -0.70 0.80 -2.28 -0.29 0.00 0.00 176.35 174.16 1xfr s HIS 69 N 1.76 3.25 0.55 5.38 5.65 0.35 -4.80 115.29 127.43 1xfr s HIS 69 Ca 0.65 -1.36 0.23 0.00 0.25 0.00 0.00 55.06 54.82 1xfr s HIS 69 Cb -0.35 -4.01 1.45 0.00 -1.18 0.00 0.00 32.58 28.49 1xfr s HIS 69 CO 0.29 -1.24 2.11 0.45 -0.65 0.00 0.00 174.74 175.70 1xfr h HIS 70 N 8.70 0.00 0.31 3.88 -0.00 -1.93 -1.19 115.15 124.93 1xfr h HIS 70 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1xfr h HIS 70 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 1xfr h HIS 70 CO 0.96 0.00 -0.29 0.78 -0.00 0.00 0.00 177.93 179.38 1xfr h GLY 71 N 0.00 -1.01 1.99 2.45 0.00 -1.96 -0.63 103.07 103.91 1xfr h GLY 71 Ca 0.09 0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 1xfr h GLY 71 CO -0.00 -0.33 -0.27 -0.57 0.00 0.00 0.00 176.54 175.37 1xfr h ASN 72 N -0.60 0.01 -0.66 0.19 -0.73 -1.68 -0.77 115.58 111.34 1xfr h ASN 72 Ca -0.04 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.07 1xfr h ASN 72 Cb 0.51 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 1xfr h ASN 72 CO -0.02 0.28 0.18 0.00 -0.37 0.00 0.00 177.43 177.50 1xfr h ALA 73 N 1.72 0.86 -0.11 1.57 0.00 -1.23 -0.51 119.26 121.56 1xfr h ALA 73 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1xfr h ALA 73 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xfr h ALA 73 CO 0.04 0.56 -0.62 1.98 0.00 0.00 0.00 179.25 181.20 1xfr h MET 74 N 0.96 0.40 -0.30 0.00 1.85 -0.55 -2.83 114.93 114.47 1xfr h MET 74 Ca 0.21 -0.28 0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1xfr h MET 74 Cb 0.33 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 1xfr h MET 74 CO -0.00 0.89 0.09 0.93 -0.40 0.00 0.00 176.91 178.42 1xfr h GLU 75 N 0.29 0.22 -0.67 0.39 4.39 -0.91 -0.90 114.58 117.40 1xfr h GLU 75 Ca -0.01 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1xfr h GLU 75 Cb 1.15 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.66 1xfr h GLU 75 CO 0.11 0.14 0.20 0.35 -1.16 0.00 0.00 179.01 178.65 1xfr h PHE 76 N 0.22 0.34 0.80 4.33 3.57 -1.02 0.15 116.94 125.33 1xfr h PHE 76 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1xfr h PHE 76 Cb 0.11 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.81 1xfr h PHE 76 CO -0.14 0.01 -0.39 0.00 -2.23 0.00 0.00 178.31 175.57 1xfr h ALA 77 N 1.51 -1.12 -0.15 2.41 0.00 -1.18 -2.40 119.26 118.32 1xfr h ALA 77 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xfr h ALA 77 Cb 0.53 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xfr h ALA 77 CO -0.40 -1.05 0.10 0.87 0.00 0.00 0.00 179.25 178.78 1xfr h LYS 78 N -1.24 0.20 -0.05 0.00 6.56 -0.95 -1.34 116.57 119.76 1xfr h LYS 78 Ca -0.11 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1xfr h LYS 78 Cb 0.83 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.41 1xfr h LYS 78 CO 0.18 0.13 -0.11 -0.22 -2.06 0.00 0.00 179.45 177.37 1xfr h LYS 79 N 0.20 -0.16 0.00 3.15 3.64 -0.64 -3.17 116.57 119.60 1xfr h LYS 79 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xfr h LYS 79 Cb -0.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xfr h LYS 79 CO -0.01 -0.10 0.00 0.45 -2.27 0.00 0.00 179.45 177.51 1xfr h HIS 80 N -0.16 0.00 0.00 1.91 3.86 -0.73 -3.46 115.15 116.57 1xfr h HIS 80 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xfr h HIS 80 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1xfr h HIS 80 CO -0.19 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.01 1xfr n GLY 81 N 0.30 1.26 3.65 2.45 0.00 -1.18 -5.00 105.19 106.68 1xfr n GLY 81 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 0.89 0.42 4.61 0.00 -0.91 -4.91 121.76 119.86 1xfr s ALA 82 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1xfr s ALA 82 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1xfr s ALA 82 CO 0.00 -2.88 0.59 -0.51 0.00 0.00 0.00 175.76 172.96 1xfr s ASP 83 N -3.18 5.73 0.03 0.00 1.01 -1.26 -4.64 116.67 114.35 1xfr s ASP 83 Ca 0.65 -0.16 -0.23 0.00 0.71 0.00 0.00 52.55 53.52 1xfr s ASP 83 Cb -0.20 -1.02 -0.13 0.00 1.01 0.00 0.00 42.92 42.58 1xfr s ASP 83 CO 0.59 -0.70 1.21 -0.08 0.21 0.00 0.00 175.17 176.40 1xfr h GLU 84 N 0.59 -0.79 0.00 8.23 4.22 -1.99 0.17 114.58 125.01 1xfr h GLU 84 Ca -0.43 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.03 1xfr h GLU 84 Cb 1.27 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1xfr h GLU 84 CO 0.51 -0.53 -0.13 1.15 -2.18 0.00 0.00 179.01 177.83 1xfr h THR 85 N -0.91 0.44 0.72 0.32 2.02 -1.97 -0.10 112.91 113.42 1xfr h THR 85 Ca -0.08 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1xfr h THR 85 Cb 0.63 1.48 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1xfr h THR 85 CO 0.14 0.13 -0.35 -0.03 0.37 0.00 0.00 175.52 175.78 1xfr h MET 86 N 0.00 -0.93 -0.58 6.66 1.85 -1.92 0.14 114.93 120.15 1xfr h MET 86 Ca -0.00 0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1xfr h MET 86 Cb 0.47 0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.69 1xfr h MET 86 CO 0.02 -0.60 0.30 0.00 -0.40 0.00 0.00 176.91 176.22 1xfr h ALA 87 N -0.83 1.44 0.00 0.39 0.00 0.16 0.02 119.26 120.44 1xfr h ALA 87 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1xfr h ALA 87 Cb 0.76 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xfr h ALA 87 CO 0.16 0.45 -0.13 0.37 0.00 0.00 0.00 179.25 180.11 1xfr h GLN 88 N 0.80 0.00 0.65 0.00 5.75 -1.02 -0.75 115.11 120.55 1xfr h GLN 88 Ca 0.20 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 1xfr h GLN 88 Cb 0.05 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.61 1xfr h GLN 88 CO -0.03 0.13 -0.31 1.96 -2.65 0.00 0.00 178.83 177.92 1xfr h GLN 89 N 0.00 -0.85 -0.89 1.69 1.08 0.11 0.21 115.11 116.47 1xfr h GLN 89 Ca -0.00 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.35 1xfr h GLN 89 Cb 0.76 0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 28.31 1xfr h GLN 89 CO 0.02 -0.53 0.54 -0.07 -0.95 0.00 0.00 178.83 177.83 1xfr h LEU 90 N -1.16 0.80 -0.49 1.46 -0.00 -1.05 -0.60 115.31 114.27 1xfr h LEU 90 Ca -0.09 0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 57.70 1xfr h LEU 90 Cb 0.70 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1xfr h LEU 90 CO 0.15 0.47 -0.62 0.40 -0.00 0.00 0.00 178.44 178.83 1xfr h ILE 91 N 0.91 1.25 0.01 1.22 5.03 -1.18 -1.04 117.51 123.71 1xfr h ILE 91 Ca 0.42 -2.29 -0.00 0.00 -0.12 0.00 0.00 64.86 62.86 1xfr h ILE 91 Cb 0.33 2.31 0.00 0.00 -3.03 0.00 0.00 36.82 36.43 1xfr h ILE 91 CO -0.23 0.61 -0.00 -0.78 -0.68 0.00 0.00 178.15 177.07 1xfr h ASP 92 N 0.00 -0.01 -0.01 1.72 3.58 0.85 -0.29 116.42 122.27 1xfr h ASP 92 Ca -0.01 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1xfr h ASP 92 Cb 1.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1xfr h ASP 92 CO 0.08 0.19 -0.00 0.40 -2.88 0.00 0.00 179.24 177.03 1xfr h ILE 93 N -0.20 1.29 0.14 2.25 2.04 -1.20 -1.21 117.51 120.62 1xfr h ILE 93 Ca -0.00 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1xfr h ILE 93 Cb 0.20 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1xfr h ILE 93 CO 0.00 0.23 -0.07 0.58 0.00 0.00 0.00 178.15 178.89 1xfr h VAL 94 N -0.34 0.97 -0.74 1.67 2.07 -1.24 0.07 116.25 118.71 1xfr h VAL 94 Ca 0.00 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1xfr h VAL 94 Cb 0.38 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1xfr h VAL 94 CO 0.00 0.12 0.49 -0.74 0.02 0.00 0.00 177.57 177.46 1xfr h HIS 95 N -0.42 0.68 0.11 1.57 6.17 -1.04 0.82 115.15 123.04 1xfr h HIS 95 Ca -0.02 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1xfr h HIS 95 Cb 0.34 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1xfr h HIS 95 CO 0.00 0.32 -0.05 0.78 0.71 0.00 0.00 177.93 179.69 1xfr h GLY 96 N 0.64 -0.16 -0.34 5.26 0.00 -0.93 -3.27 103.07 104.27 1xfr h GLY 96 Ca 0.34 0.06 0.26 0.00 0.00 0.00 0.00 47.33 47.99 1xfr h GLY 96 CO -0.12 -0.06 0.47 0.00 0.00 0.00 0.00 176.54 176.83 1xfr h GLU 98 N 0.38 0.00 0.00 0.00 4.39 -0.89 -0.23 114.58 118.23 1xfr h GLU 98 Ca 0.64 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.29 1xfr h GLU 98 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1xfr h GLU 98 CO -0.56 0.00 -1.13 1.63 -1.16 0.00 0.00 179.01 177.79 1xfr n LYS 99 N -4.10 0.52 -0.26 2.33 4.01 -0.19 -4.74 118.16 115.73 1xfr n LYS 99 Ca 0.18 0.21 0.02 0.00 -0.51 0.00 0.00 58.31 58.20 1xfr n LYS 99 Cb 0.98 -1.40 0.23 0.00 -0.51 0.00 0.00 35.03 34.33 1xfr n LYS 99 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1xfr h SER 100 N -0.96 0.91 -2.23 4.39 0.87 -0.69 -3.40 113.55 112.44 1xfr h SER 100 Ca -0.07 -0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.91 1xfr h SER 100 Cb 1.03 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1xfr h SER 100 CO -0.04 0.63 1.35 -0.89 -0.53 0.00 0.00 176.83 177.34 1xfr s THR 101 N -5.89 3.08 0.22 2.23 2.01 -0.12 -4.95 115.64 112.21 1xfr s THR 101 Ca -0.11 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1xfr s THR 101 Cb 0.19 -3.08 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 1xfr s THR 101 CO 0.79 -0.03 1.10 -2.16 -0.69 0.00 0.00 174.62 173.63 1xfr s PRO 102 N 5.39 4.61 0.24 4.92 0.04 -1.26 -4.93 135.00 144.01 1xfr s PRO 102 Ca 0.93 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1xfr s PRO 102 Cb -0.36 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 1xfr s PRO 102 CO 0.37 0.13 0.30 0.00 0.04 0.00 0.00 177.00 177.84 1xfr n ALA 103 N 1.93 -0.00 -2.70 8.56 0.00 -1.26 -4.93 120.51 122.11 1xfr n ALA 103 Ca 0.01 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 51.93 1xfr n ALA 103 Cb 0.46 0.97 -0.08 0.00 0.00 0.00 0.00 19.45 20.80 1xfr n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xfr s ASN 104 N -2.55 4.12 0.00 0.00 2.20 -1.26 -5.04 114.94 112.41 1xfr s ASN 104 Ca 0.23 -1.55 0.14 0.00 -0.94 0.00 0.00 52.86 50.74 1xfr s ASN 104 Cb -0.00 0.29 0.77 0.00 -2.00 0.00 0.00 41.25 40.31 1xfr s ASN 104 CO 0.16 -0.78 1.33 -0.67 -2.94 0.00 0.00 177.10 174.20 1xfr n ASP 105 N -1.24 0.00 -4.55 3.54 -0.08 -1.26 -4.36 116.55 108.60 1xfr n ASP 105 Ca -0.15 -0.16 -0.35 0.00 -1.51 0.00 0.00 54.79 52.63 1xfr n ASP 105 Cb 0.67 -0.16 -0.04 0.00 2.34 0.00 0.00 41.12 43.94 1xfr n ASP 105 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xfr s ASP 106 N -2.31 5.11 0.64 1.67 1.01 -1.26 -4.84 116.67 116.69 1xfr s ASP 106 Ca 0.17 0.16 0.38 0.00 0.71 0.00 0.00 52.55 53.97 1xfr s ASP 106 Cb 0.10 -2.53 2.16 0.00 1.01 0.00 0.00 42.92 43.65 1xfr s ASP 106 CO 0.19 -2.56 2.31 0.11 0.21 0.00 0.00 175.17 175.42 1xfr h LYS 107 N 14.48 0.00 0.08 8.23 6.56 -1.99 0.77 116.57 144.70 1xfr h LYS 107 Ca -0.17 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.44 1xfr h LYS 107 Cb 1.13 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.76 1xfr h LYS 107 CO 1.20 0.00 -0.21 0.00 -2.06 0.00 0.00 179.45 178.38 1xfr h ILE 109 N -0.38 1.30 0.05 0.00 1.08 -1.18 -1.08 117.51 117.30 1xfr h ILE 109 Ca 0.04 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 1xfr h ILE 109 Cb 0.42 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 1xfr h ILE 109 CO -0.14 0.28 -0.53 -0.25 -0.69 0.00 0.00 178.15 176.82 1xfr h TRP 110 N -0.14 -1.54 -0.10 1.37 7.01 -1.28 -0.88 115.95 120.40 1xfr h TRP 110 Ca 0.02 0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 1xfr h TRP 110 Cb 0.46 0.66 -0.01 0.00 -2.10 0.00 0.00 29.16 28.17 1xfr h TRP 110 CO 0.06 -0.57 -0.16 1.15 -2.79 0.00 0.00 178.44 176.12 1xfr h THR 111 N -0.69 1.17 -0.00 2.65 2.02 -1.20 -1.43 112.91 115.42 1xfr h THR 111 Ca 0.00 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.45 1xfr h THR 111 Cb 0.72 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 1xfr h THR 111 CO -0.32 0.23 -0.29 0.25 0.37 0.00 0.00 175.52 175.75 1xfr h LEU 112 N 0.14 -0.88 -0.38 2.58 6.46 -0.73 -0.65 115.31 121.85 1xfr h LEU 112 Ca 0.03 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1xfr h LEU 112 Cb 0.38 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1xfr h LEU 112 CO 0.02 -0.36 0.15 1.23 -0.62 0.00 0.00 178.44 178.87 1xfr h GLY 113 N -0.44 0.62 0.78 3.75 0.00 -0.48 -0.94 103.07 106.36 1xfr h GLY 113 Ca 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1xfr h GLY 113 CO -0.25 0.32 0.15 -2.08 0.00 0.00 0.00 176.54 174.68 1xfr h VAL 114 N 0.47 0.95 -0.75 4.60 2.07 -1.15 -1.48 116.25 120.96 1xfr h VAL 114 Ca 0.13 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1xfr h VAL 114 Cb 0.19 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1xfr h VAL 114 CO -0.01 0.06 0.25 0.00 0.02 0.00 0.00 177.57 177.89 1xfr h ALA 115 N 1.20 1.02 -0.08 1.67 0.00 -0.87 -2.38 119.26 119.81 1xfr h ALA 115 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1xfr h ALA 115 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xfr h ALA 115 CO -0.12 0.66 -0.64 1.15 0.00 0.00 0.00 179.25 180.30 1xfr h THR 116 N 1.11 1.39 0.27 0.00 2.02 -0.53 0.15 112.91 117.32 1xfr h THR 116 Ca 0.24 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 1xfr h THR 116 Cb 0.29 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1xfr h THR 116 CO -0.01 0.61 -0.13 0.00 0.37 0.00 0.00 175.52 176.35 1xfr h PHE 118 N -0.74 0.05 -0.51 0.00 3.57 -1.30 -2.29 116.94 115.72 1xfr h PHE 118 Ca -0.04 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1xfr h PHE 118 Cb 0.50 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.20 1xfr h PHE 118 CO 0.03 -0.08 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.65 1xfr h LYS 119 N 0.17 -0.04 -0.02 1.11 3.11 -0.81 -0.22 116.57 119.87 1xfr h LYS 119 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1xfr h LYS 119 Cb 0.41 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1xfr h LYS 119 CO -0.41 -0.03 0.01 0.00 -2.81 0.00 0.00 179.45 176.21 1xfr h ALA 120 N 1.41 1.97 -0.30 5.00 0.00 -1.50 -1.68 119.26 124.17 1xfr h ALA 120 Ca 0.24 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1xfr h ALA 120 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xfr h ALA 120 CO -0.54 -0.02 -0.42 0.93 0.00 0.00 0.00 179.25 179.19 1xfr h GLU 121 N 0.00 0.82 -0.98 0.00 4.39 -1.02 -2.71 114.58 115.09 1xfr h GLU 121 Ca 0.01 -0.48 0.05 0.00 0.34 0.00 0.00 59.36 59.28 1xfr h GLU 121 Cb 0.03 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1xfr h GLU 121 CO -0.00 1.11 0.64 0.82 -1.16 0.00 0.00 179.01 180.42 1xfr h ILE 122 N 0.59 1.12 -0.78 3.13 1.08 -0.92 -0.27 117.51 121.46 1xfr h ILE 122 Ca 0.03 -0.40 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1xfr h ILE 122 Cb 1.02 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1xfr h ILE 122 CO 0.10 0.21 0.29 0.45 -0.69 0.00 0.00 178.15 178.51 1xfr h HIS 123 N 1.18 1.21 -0.30 1.37 3.86 -1.35 -0.01 115.15 121.10 1xfr h HIS 123 Ca 0.41 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.43 1xfr h HIS 123 Cb 0.10 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1xfr h HIS 123 CO -0.00 0.93 -0.19 0.87 0.86 0.00 0.00 177.93 180.40 1xfr h LYS 124 N 1.15 0.56 0.00 2.45 1.57 -0.92 -1.78 116.57 119.60 1xfr h LYS 124 Ca 0.26 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xfr h LYS 124 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xfr h LYS 124 CO -0.02 0.72 0.00 1.28 -0.57 0.00 0.00 179.45 180.86 1xfr n LEU 125 N -4.15 0.18 -1.23 2.94 4.77 -0.23 -4.93 117.00 114.35 1xfr n LEU 125 Ca 0.00 0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 1xfr n LEU 125 Cb 0.37 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1xfr n LEU 125 CO 0.42 -0.16 -0.15 -3.20 -1.33 0.00 0.00 177.39 172.97 1xfr n ASN 126 N -1.68 -4.60 -1.09 -1.43 2.85 -0.18 -4.94 115.26 104.19 1xfr n ASN 126 Ca 0.05 0.25 -0.02 0.00 -0.11 0.00 0.00 54.58 54.74 1xfr n ASN 126 Cb 0.29 -3.46 0.02 0.00 1.24 0.00 0.00 39.78 37.87 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1xfr n TRP 127 N -3.00 0.34 -0.88 1.20 8.01 -0.27 -4.76 117.44 118.08 1xfr n TRP 127 Ca -0.15 -0.60 0.00 0.00 -1.31 0.00 0.00 57.50 55.44 1xfr n TRP 127 Cb 0.51 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68