#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 0.85 -0.30 1.43 7.50 -1.84 -2.66 115.11 120.09 1xfr h GLN 2 Ca 0.00 -0.05 0.07 0.00 0.50 0.00 0.00 58.65 59.17 1xfr h GLN 2 Cb 0.00 -0.19 -0.07 0.00 0.05 0.00 0.00 27.48 27.26 1xfr h GLN 2 CO 0.00 0.56 -0.20 1.49 -1.50 0.00 0.00 178.83 179.19 1xfr h GLU 3 N 0.88 -0.16 -0.39 1.46 4.81 -1.97 -0.26 114.58 118.94 1xfr h GLU 3 Ca 0.34 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1xfr h GLU 3 Cb 0.15 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1xfr h GLU 3 CO -0.17 -0.11 0.22 0.28 -0.73 0.00 0.00 179.01 178.50 1xfr h VAL 4 N -0.17 1.02 -0.46 0.32 2.07 -1.83 0.11 116.25 117.32 1xfr h VAL 4 Ca 0.16 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1xfr h VAL 4 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1xfr h VAL 4 CO -0.40 0.08 0.02 -0.03 0.02 0.00 0.00 177.57 177.26 1xfr h MET 5 N 0.45 0.74 -0.13 1.57 1.85 -1.02 0.27 114.93 118.66 1xfr h MET 5 Ca 0.16 -0.18 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 1xfr h MET 5 Cb 0.03 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 31.96 1xfr h MET 5 CO -0.09 0.74 -0.01 -0.22 -0.40 0.00 0.00 176.91 176.93 1xfr h LYS 6 N 0.70 0.25 -0.20 0.39 3.64 -0.81 -3.19 116.57 117.35 1xfr h LYS 6 Ca 0.14 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1xfr h LYS 6 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1xfr h LYS 6 CO 0.01 0.51 -0.04 -0.97 -2.27 0.00 0.00 179.45 176.69 1xfr h ASN 7 N -0.04 0.28 -0.05 4.20 -1.24 -0.14 -1.69 115.58 116.89 1xfr h ASN 7 Ca 0.04 -0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.01 1xfr h ASN 7 Cb 0.41 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1xfr h ASN 7 CO 0.01 0.37 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.44 1xfr h LEU 8 N 0.29 -0.03 -1.64 0.34 3.38 -0.51 -1.34 115.31 115.80 1xfr h LEU 8 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xfr h LEU 8 Cb 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xfr h LEU 8 CO 0.01 -0.01 -0.10 0.28 0.09 0.00 0.00 178.44 178.71 1xfr h SER 9 N 0.01 0.10 -0.03 -0.43 0.02 -1.35 0.47 113.55 112.35 1xfr h SER 9 Ca 0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xfr h SER 9 Cb 0.03 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1xfr h SER 9 CO -0.05 0.21 0.00 0.25 -1.14 0.00 0.00 176.83 176.10 1xfr h LEU 10 N 0.10 0.04 0.00 5.07 5.85 -0.63 -0.50 115.31 125.24 1xfr h LEU 10 Ca 0.02 -0.31 -0.21 0.00 0.84 0.00 0.00 57.88 58.23 1xfr h LEU 10 Cb 0.24 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1xfr h LEU 10 CO 0.01 0.34 -1.05 0.78 -0.34 0.00 0.00 178.44 178.18 1xfr h ASN 11 N -0.25 0.00 0.43 1.25 2.35 -1.16 -3.23 115.58 114.97 1xfr h ASN 11 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1xfr h ASN 11 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1xfr h ASN 11 CO 0.00 0.92 -0.29 0.15 -1.65 0.00 0.00 177.43 176.56 1xfr h PHE 12 N 0.00 -0.76 0.00 1.19 3.57 -0.86 -2.98 116.94 117.10 1xfr h PHE 12 Ca -0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xfr h PHE 12 Cb 1.75 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.76 1xfr h PHE 12 CO 0.00 -0.44 0.00 0.41 -2.23 0.00 0.00 178.31 176.05 1xfr n GLY 13 N -1.42 1.93 0.00 2.40 0.00 -0.20 -4.19 105.19 103.70 1xfr n GLY 13 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xfr n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xfr n LYS 14 N 1.07 0.00 0.00 1.61 4.76 -1.13 -4.15 118.16 120.32 1xfr n LYS 14 Ca 0.00 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1xfr n LYS 14 Cb 0.42 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1xfr n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xfr n ALA 15 N -1.55 2.08 -0.04 7.82 0.00 -1.26 -4.25 120.51 123.31 1xfr n ALA 15 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xfr n ALA 15 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 0.98 0.22 -1.92 0.00 5.85 -1.87 -1.99 115.31 116.58 1xfr h LEU 16 Ca 0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1xfr h LEU 16 Cb 0.52 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xfr h LEU 16 CO 0.00 0.39 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.60 1xfr h ASP 17 N 0.03 0.00 0.51 1.25 1.82 -1.91 0.18 116.42 118.31 1xfr h ASP 17 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1xfr h ASP 17 Cb 0.26 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.27 1xfr h ASP 17 CO 0.00 0.11 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.17 1xfr h GLU 18 N 0.00 -0.66 -0.89 0.28 4.39 -1.83 -2.15 114.58 113.72 1xfr h GLU 18 Ca -0.00 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1xfr h GLU 18 Cb 0.25 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1xfr h GLU 18 CO 0.01 -0.36 0.57 0.00 -1.16 0.00 0.00 179.01 178.08 1xfr h LYS 20 N 0.82 -1.06 -0.50 0.00 1.57 -0.61 -1.14 116.57 115.65 1xfr h LYS 20 Ca 0.42 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1xfr h LYS 20 Cb 0.50 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1xfr h LYS 20 CO -0.19 -0.71 0.29 -0.22 -0.57 0.00 0.00 179.45 178.05 1xfr h LYS 21 N -1.10 0.56 -0.67 3.15 3.11 -0.92 0.39 116.57 121.08 1xfr h LYS 21 Ca -0.09 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1xfr h LYS 21 Cb 0.90 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.98 1xfr h LYS 21 CO 0.06 0.37 0.41 0.93 -2.81 0.00 0.00 179.45 178.40 1xfr h GLU 22 N 0.57 0.91 -0.01 1.90 4.39 -0.72 -3.28 114.58 118.34 1xfr h GLU 22 Ca 0.21 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1xfr h GLU 22 Cb 0.05 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1xfr h GLU 22 CO -0.11 0.64 -0.07 -1.33 -1.16 0.00 0.00 179.01 176.98 1xfr n MET 23 N -4.57 1.04 -3.00 2.33 2.81 -0.44 -5.03 117.12 110.25 1xfr n MET 23 Ca 0.05 -0.87 -0.08 0.00 -1.81 0.00 0.00 57.70 54.99 1xfr n MET 23 Cb 0.05 -1.13 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 0.21 -7.97 -4.98 2.03 -1.04 0.02 -5.04 114.28 97.52 1xfr n THR 24 Ca 0.05 1.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.76 1xfr n THR 24 Cb 0.22 -5.47 -0.15 0.00 -1.82 0.00 0.00 70.33 63.11 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 -1.83 2.14 0.63 -4.42 1.43 -0.57 -5.03 118.68 111.03 1xfr s LEU 25 Ca 0.12 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1xfr s LEU 25 Cb -0.02 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1xfr s LEU 25 CO 0.60 0.27 1.01 0.42 0.23 0.00 0.00 176.35 178.88 1xfr s THR 26 N -0.76 4.23 -0.35 5.49 -4.23 -1.26 -4.80 115.64 113.97 1xfr s THR 26 Ca 0.11 0.60 0.26 0.00 -1.18 0.00 0.00 61.69 61.47 1xfr s THR 26 Cb -0.10 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.31 1xfr s THR 26 CO 0.01 -0.89 1.77 -2.24 -0.54 0.00 0.00 174.62 172.74 1xfr h ASP 27 N -0.36 0.00 0.00 3.99 2.03 -2.00 -2.53 116.42 117.55 1xfr h ASP 27 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1xfr h ASP 27 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1xfr h ASP 27 CO 0.62 0.00 0.02 0.00 -1.03 0.00 0.00 179.24 178.85 1xfr h ALA 28 N 2.20 1.01 0.07 4.15 0.00 -1.99 0.19 119.26 124.90 1xfr h ALA 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1xfr h ALA 28 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 28 CO 0.00 -0.01 -1.46 -0.84 0.00 0.00 0.00 179.25 176.94 1xfr h ILE 29 N 0.00 1.20 0.00 0.00 3.07 -1.83 -3.03 117.51 116.92 1xfr h ILE 29 Ca 0.00 -2.90 -0.08 0.00 1.55 0.00 0.00 64.86 63.43 1xfr h ILE 29 Cb 0.03 2.70 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 1xfr h ILE 29 CO 0.00 0.79 -0.38 -1.13 -1.05 0.00 0.00 178.15 176.38 1xfr h ASN 30 N 0.04 0.00 -0.38 2.16 -1.24 -0.85 0.84 115.58 116.15 1xfr h ASN 30 Ca -0.20 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 1xfr h ASN 30 Cb 1.96 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.00 1xfr h ASN 30 CO 0.14 0.38 0.03 -0.33 -1.29 0.00 0.00 177.43 176.36 1xfr h GLU 31 N 0.00 0.65 0.84 6.67 3.07 -1.13 -2.77 114.58 121.91 1xfr h GLU 31 Ca -0.00 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 1xfr h GLU 31 Cb 0.70 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1xfr h GLU 31 CO 0.05 0.73 -0.40 0.22 -1.40 0.00 0.00 179.01 178.20 1xfr h ASP 32 N 0.48 -0.96 -0.31 1.42 1.82 -0.94 1.00 116.42 118.93 1xfr h ASP 32 Ca 0.11 0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.87 1xfr h ASP 32 Cb 0.41 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1xfr h ASP 32 CO 0.01 -0.61 0.33 -0.26 -1.61 0.00 0.00 179.24 177.10 1xfr h PHE 33 N -1.28 0.00 0.10 0.28 0.04 -1.07 0.35 116.94 115.37 1xfr h PHE 33 Ca -0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1xfr h PHE 33 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1xfr h PHE 33 CO 0.01 0.00 -0.05 -0.92 -0.60 0.00 0.00 178.31 176.75 1xfr h TYR 34 N 0.00 -0.13 0.00 -0.55 3.20 -1.28 -3.37 116.97 114.84 1xfr h TYR 34 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1xfr h TYR 34 Cb 0.80 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1xfr h TYR 34 CO 0.00 0.12 0.00 0.09 -1.64 0.00 0.00 178.16 176.73 1xfr n ASN 35 N -4.85 0.00 -0.27 -2.11 3.02 0.33 -4.46 115.26 106.92 1xfr n ASN 35 Ca -0.04 -0.98 0.08 0.00 -0.03 0.00 0.00 54.58 53.61 1xfr n ASN 35 Cb 0.15 -0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.00 0.43 -0.16 3.10 3.57 -0.51 0.12 116.94 123.49 1xfr h PHE 36 Ca 0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1xfr h PHE 36 Cb 0.00 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1xfr h PHE 36 CO 0.00 -0.05 0.10 0.91 -2.23 0.00 0.00 178.31 177.04 1xfr n TRP 37 N -5.10 0.48 -0.23 0.41 5.03 -1.26 -4.82 117.44 111.95 1xfr n TRP 37 Ca 0.17 -0.70 0.00 0.00 3.03 0.00 0.00 57.50 60.00 1xfr n TRP 37 Cb 0.52 -0.36 0.00 0.00 -1.03 0.00 0.00 31.31 30.44 1xfr n TRP 37 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1xfr n LYS 38 N 0.24 -1.04 -0.31 -0.99 4.01 0.41 -5.01 118.16 115.48 1xfr n LYS 38 Ca 0.09 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.97 1xfr n LYS 38 Cb 0.68 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.37 1xfr n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1xfr n GLU 39 N -1.43 1.53 0.00 1.97 0.28 -1.26 -4.66 120.64 117.06 1xfr n GLU 39 Ca 0.00 -2.87 0.00 0.00 -0.16 0.00 0.00 57.16 54.13 1xfr n GLU 39 Cb 0.00 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.25 0.00 3.70 -1.84 0.00 -1.26 -5.13 105.19 99.40 1xfr n GLY 40 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xfr n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfr s TYR 41 N 0.00 2.64 -0.04 1.61 6.14 -1.26 -5.02 117.35 121.43 1xfr s TYR 41 Ca 0.00 0.46 -0.14 0.00 0.64 0.00 0.00 57.07 58.04 1xfr s TYR 41 Cb 0.00 -3.91 -0.05 0.00 0.42 0.00 0.00 41.96 38.41 1xfr s TYR 41 CO 0.00 -3.57 0.36 -1.21 0.64 0.00 0.00 175.55 171.78 1xfr s GLU 42 N 2.21 3.90 -0.29 4.97 8.01 -1.26 -5.04 118.70 131.19 1xfr s GLU 42 Ca 0.72 0.31 -0.08 0.00 0.01 0.00 0.00 54.97 55.93 1xfr s GLU 42 Cb -0.40 -3.24 -0.00 0.00 -4.31 0.00 0.00 34.13 26.18 1xfr s GLU 42 CO 0.31 0.64 0.10 0.42 0.01 0.00 0.00 175.26 176.75 1xfr s ILE 43 N -0.86 4.21 0.00 -1.63 1.01 -1.26 -4.92 121.20 117.75 1xfr s ILE 43 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1xfr s ILE 43 Cb -0.16 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1xfr s ILE 43 CO 0.11 0.11 0.00 0.29 0.00 0.00 0.00 174.94 175.45 1xfr n LYS 44 N 4.91 3.59 -2.10 2.79 4.76 -1.26 -4.95 118.16 125.91 1xfr n LYS 44 Ca -0.15 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 1xfr n LYS 44 Cb 0.49 -0.54 -0.03 0.00 -1.84 0.00 0.00 35.03 33.11 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1xfr s ASN 45 N -0.94 6.73 0.51 4.39 3.84 -1.26 -4.86 114.94 123.35 1xfr s ASN 45 Ca 0.00 2.14 0.24 0.00 0.21 0.00 0.00 52.86 55.45 1xfr s ASN 45 Cb 0.00 -2.54 1.34 0.00 -0.55 0.00 0.00 41.25 39.50 1xfr s ASN 45 CO 0.00 -0.88 1.97 -0.09 -2.79 0.00 0.00 177.10 175.32 1xfr h ARG 46 N 9.10 0.08 -0.57 0.43 2.43 -1.97 -1.99 114.38 121.89 1xfr h ARG 46 Ca -0.37 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.73 1xfr h ARG 46 Cb 1.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1xfr h ARG 46 CO 0.95 0.05 0.09 0.93 -1.51 0.00 0.00 179.97 180.48 1xfr h GLU 47 N 0.08 0.92 -0.26 0.20 5.08 -1.93 -0.91 114.58 117.76 1xfr h GLU 47 Ca 0.29 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1xfr h GLU 47 Cb 1.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1xfr h GLU 47 CO -0.02 0.86 -0.12 1.79 -1.00 0.00 0.00 179.01 180.52 1xfr h THR 48 N 0.87 1.30 -0.65 1.13 1.35 -1.75 -0.09 112.91 115.07 1xfr h THR 48 Ca 0.18 -1.19 0.12 0.00 -0.55 0.00 0.00 66.41 64.97 1xfr h THR 48 Cb 0.39 1.53 -0.09 0.00 -1.73 0.00 0.00 68.15 68.25 1xfr h THR 48 CO 0.01 0.37 0.18 1.23 -0.25 0.00 0.00 175.52 177.07 1xfr h GLY 49 N 0.26 0.89 1.69 5.82 0.00 -1.35 0.24 103.07 110.61 1xfr h GLY 49 Ca 0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1xfr h GLY 49 CO 0.04 -0.10 -0.82 0.00 0.00 0.00 0.00 176.54 175.65 1xfr h ALA 51 N 0.95 0.17 -0.20 0.00 0.00 0.22 0.19 119.26 120.59 1xfr h ALA 51 Ca -0.04 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xfr h ALA 51 Cb 1.42 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1xfr h ALA 51 CO 0.13 -0.41 -0.14 0.82 0.00 0.00 0.00 179.25 179.64 1xfr h ILE 52 N 0.09 0.59 -0.61 0.00 2.04 -1.02 -0.11 117.51 118.49 1xfr h ILE 52 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1xfr h ILE 52 Cb 0.09 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1xfr h ILE 52 CO -0.12 0.00 0.35 -0.03 0.00 0.00 0.00 178.15 178.35 1xfr h MET 53 N -0.14 0.65 -0.18 2.37 4.05 -1.15 -0.37 114.93 120.15 1xfr h MET 53 Ca 0.12 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1xfr h MET 53 Cb 0.32 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1xfr h MET 53 CO -0.29 0.43 0.12 0.00 0.23 0.00 0.00 176.91 177.40 1xfr h LEU 55 N 0.24 0.92 -0.01 0.00 3.38 -0.63 0.77 115.31 119.99 1xfr h LEU 55 Ca 0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xfr h LEU 55 Cb -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1xfr h LEU 55 CO -0.01 0.63 -0.12 0.28 0.09 0.00 0.00 178.44 179.31 1xfr h SER 56 N 1.08 -0.34 -0.53 -0.43 0.02 -0.54 -1.80 113.55 111.01 1xfr h SER 56 Ca 0.35 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.46 1xfr h SER 56 Cb 0.04 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.63 1xfr h SER 56 CO -0.13 -0.17 -0.06 0.74 -1.14 0.00 0.00 176.83 176.08 1xfr h THR 57 N -0.20 0.53 0.00 -2.27 2.02 -0.35 0.93 112.91 113.57 1xfr h THR 57 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1xfr h THR 57 Cb 0.25 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xfr h THR 57 CO -0.12 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.07 1xfr n LYS 58 N -5.30 0.04 -0.28 6.66 5.02 0.20 -1.08 118.16 123.41 1xfr n LYS 58 Ca 0.06 0.37 0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1xfr n LYS 58 Cb 0.29 -1.58 0.21 0.00 -0.02 0.00 0.00 35.03 33.92 1xfr n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xfr n LEU 59 N -1.65 3.22 -4.02 -0.35 4.77 -0.67 -4.98 117.00 113.32 1xfr n LEU 59 Ca 0.02 -3.00 -0.27 0.00 -0.03 0.00 0.00 56.01 52.72 1xfr n LEU 59 Cb 0.12 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1xfr n LEU 59 CO 0.11 0.69 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.43 1xfr n ASN 60 N -0.86 -0.71 -1.25 -1.43 5.15 -0.24 -4.89 115.26 111.04 1xfr n ASN 60 Ca 0.19 -1.02 0.11 0.00 -0.60 0.00 0.00 54.58 53.25 1xfr n ASN 60 Cb 0.77 -2.91 0.30 0.00 -0.53 0.00 0.00 39.78 37.41 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 -4.42 2.58 -3.91 1.20 2.81 0.23 -4.77 117.12 110.85 1xfr n MET 61 Ca -0.25 -2.42 -0.35 0.00 -1.81 0.00 0.00 57.70 52.87 1xfr n MET 61 Cb 0.66 -1.53 -0.14 0.00 -0.71 0.00 0.00 33.22 31.50 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 -1.02 3.94 1.19 4.03 1.43 -1.26 -0.53 118.68 126.46 1xfr s LEU 62 Ca 0.45 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1xfr s LEU 62 Cb 0.24 -1.71 0.27 0.00 0.03 0.00 0.00 46.19 45.02 1xfr s LEU 62 CO 0.30 -0.27 0.83 0.47 0.23 0.00 0.00 176.35 177.92 1xfr n ASP 63 N 4.61 -2.01 -1.79 2.29 8.00 0.38 -4.79 116.55 123.24 1xfr n ASP 63 Ca -0.13 -0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.08 1xfr n ASP 63 Cb 0.43 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 40.30 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1xfr n PRO 64 N -4.55 1.53 0.00 -0.24 -0.04 -1.26 -1.80 135.00 128.63 1xfr n PRO 64 Ca 0.02 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1xfr n PRO 64 Cb 0.56 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfr n GLU 65 N 1.53 0.00 0.00 0.54 1.02 -1.26 -5.04 120.64 117.42 1xfr n GLU 65 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1xfr n GLU 65 Cb 0.63 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfr n GLY 66 N 0.02 1.26 3.47 0.62 0.00 -0.75 -5.16 105.19 104.66 1xfr n GLY 66 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1xfr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfr s ASN 67 N -2.00 3.50 -0.04 1.61 2.20 -1.25 -4.96 114.94 114.00 1xfr s ASN 67 Ca 0.00 -1.07 -0.30 0.00 -0.94 0.00 0.00 52.86 50.55 1xfr s ASN 67 Cb 0.00 -0.29 -0.04 0.00 -2.00 0.00 0.00 41.25 38.91 1xfr s ASN 67 CO 0.00 -0.05 1.37 -0.22 -2.94 0.00 0.00 177.10 175.26 1xfr s LEU 68 N -3.51 4.29 -1.13 3.54 0.20 -1.26 -0.47 118.68 120.33 1xfr s LEU 68 Ca 0.30 2.00 -0.21 0.00 0.69 0.00 0.00 54.13 56.91 1xfr s LEU 68 Cb -0.03 -3.55 0.02 0.00 -0.43 0.00 0.00 46.19 42.20 1xfr s LEU 68 CO 0.14 -0.72 1.71 -2.28 -0.29 0.00 0.00 176.35 174.92 1xfr s HIS 69 N 2.71 2.41 0.43 5.38 5.65 0.31 -4.70 115.29 127.48 1xfr s HIS 69 Ca 0.62 -0.67 0.14 0.00 0.25 0.00 0.00 55.06 55.39 1xfr s HIS 69 Cb -0.29 -4.50 1.01 0.00 -1.18 0.00 0.00 32.58 27.63 1xfr s HIS 69 CO 0.24 -1.73 1.97 0.45 -0.65 0.00 0.00 174.74 175.02 1xfr h HIS 70 N 9.21 0.47 0.52 3.88 -0.00 -1.91 -0.09 115.15 127.22 1xfr h HIS 70 Ca 0.28 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.64 1xfr h HIS 70 Cb 0.95 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 1xfr h HIS 70 CO 1.31 0.22 -0.38 0.78 -0.00 0.00 0.00 177.93 179.86 1xfr h GLY 71 N 0.43 -1.12 2.00 2.45 0.00 -1.99 -1.01 103.07 103.83 1xfr h GLY 71 Ca 0.30 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 1xfr h GLY 71 CO -0.09 -0.36 -0.14 -0.57 0.00 0.00 0.00 176.54 175.38 1xfr h ASN 72 N -0.86 0.00 0.07 0.19 -1.24 -1.68 -0.74 115.58 111.31 1xfr h ASN 72 Ca -0.07 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1xfr h ASN 72 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1xfr h ASN 72 CO 0.03 0.14 -0.03 0.00 -1.29 0.00 0.00 177.43 176.27 1xfr h ALA 73 N 1.86 -0.09 -0.56 1.57 0.00 -1.00 -2.56 119.26 118.49 1xfr h ALA 73 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1xfr h ALA 73 Cb 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xfr h ALA 73 CO 0.02 -0.33 0.19 1.98 0.00 0.00 0.00 179.25 181.11 1xfr h MET 74 N -0.53 0.82 -0.39 0.00 1.85 -0.60 -2.23 114.93 113.85 1xfr h MET 74 Ca -0.01 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 58.95 1xfr h MET 74 Cb 0.45 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 1xfr h MET 74 CO 0.02 0.70 0.25 1.49 -0.40 0.00 0.00 176.91 178.96 1xfr h GLU 75 N 0.80 0.50 -1.00 0.39 4.22 -1.19 -0.27 114.58 118.03 1xfr h GLU 75 Ca 0.19 -0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.68 1xfr h GLU 75 Cb 0.21 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1xfr h GLU 75 CO -0.01 0.33 0.64 0.35 -2.18 0.00 0.00 179.01 178.13 1xfr h PHE 76 N 0.51 1.17 0.51 0.92 3.04 -1.09 0.13 116.94 122.15 1xfr h PHE 76 Ca 0.15 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1xfr h PHE 76 Cb -0.04 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 38.09 1xfr h PHE 76 CO -0.06 0.57 -0.25 0.00 -2.02 0.00 0.00 178.31 176.55 1xfr h ALA 77 N 1.48 -0.69 0.00 2.41 0.00 -0.71 -2.80 119.26 118.96 1xfr h ALA 77 Ca 0.45 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xfr h ALA 77 Cb 0.26 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xfr h ALA 77 CO -0.20 -0.79 -0.27 0.87 0.00 0.00 0.00 179.25 178.86 1xfr h LYS 78 N -0.89 0.00 -0.83 0.00 6.56 -0.85 -1.37 116.57 119.19 1xfr h LYS 78 Ca -0.07 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.62 1xfr h LYS 78 Cb 0.60 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.19 1xfr h LYS 78 CO 0.12 0.27 0.47 -0.22 -2.06 0.00 0.00 179.45 178.03 1xfr h LYS 79 N 0.00 0.76 0.00 3.15 3.64 -0.71 0.65 116.57 124.05 1xfr h LYS 79 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xfr h LYS 79 Cb 0.50 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xfr h LYS 79 CO 0.04 0.50 0.00 0.72 -2.27 0.00 0.00 179.45 178.44 1xfr n HIS 80 N -4.75 0.00 -1.91 1.91 8.25 -0.70 -4.91 115.22 113.12 1xfr n HIS 80 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1xfr n HIS 80 Cb 0.29 -0.26 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 1xfr n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfr n GLY 81 N 1.09 0.30 3.77 -1.41 0.00 0.22 -4.90 105.19 104.26 1xfr n GLY 81 Ca 0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.14 3.49 0.91 4.61 0.00 -0.60 -4.92 121.76 123.12 1xfr s ALA 82 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1xfr s ALA 82 Cb 0.00 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.77 1xfr s ALA 82 CO 0.00 -0.70 1.11 -0.51 0.00 0.00 0.00 175.76 175.65 1xfr s ASP 83 N -0.46 3.10 0.07 0.00 1.01 -1.26 -4.31 116.67 114.81 1xfr s ASP 83 Ca 0.50 1.87 -0.28 0.00 0.71 0.00 0.00 52.55 55.35 1xfr s ASP 83 Cb -0.40 -2.44 -0.17 0.00 1.01 0.00 0.00 42.92 40.91 1xfr s ASP 83 CO 0.54 -2.93 1.60 -0.08 0.21 0.00 0.00 175.17 174.51 1xfr h GLU 84 N -1.75 -0.49 -0.38 8.23 4.81 -1.98 0.54 114.58 123.55 1xfr h GLU 84 Ca -0.47 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1xfr h GLU 84 Cb 1.27 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1xfr h GLU 84 CO 0.48 -0.29 0.09 1.15 -0.73 0.00 0.00 179.01 179.70 1xfr h THR 85 N -0.57 1.18 0.82 0.32 2.02 -1.98 0.23 112.91 114.93 1xfr h THR 85 Ca -0.05 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 1xfr h THR 85 Cb 0.43 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1xfr h THR 85 CO 0.09 0.23 -0.40 -0.03 0.37 0.00 0.00 175.52 175.77 1xfr h MET 86 N 0.55 -1.07 -0.31 6.66 1.85 -1.84 0.11 114.93 120.87 1xfr h MET 86 Ca 0.13 0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 1xfr h MET 86 Cb 0.22 0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.48 1xfr h MET 86 CO -0.00 -0.72 0.10 0.00 -0.40 0.00 0.00 176.91 175.89 1xfr h ALA 87 N -0.93 1.60 -0.36 0.39 0.00 -0.49 0.40 119.26 119.87 1xfr h ALA 87 Ca -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xfr h ALA 87 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xfr h ALA 87 CO 0.18 0.31 0.21 0.37 0.00 0.00 0.00 179.25 180.32 1xfr h GLN 88 N 0.43 0.49 0.24 0.00 5.75 -0.37 -1.09 115.11 120.56 1xfr h GLN 88 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1xfr h GLN 88 Cb 0.13 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1xfr h GLN 88 CO -0.01 0.38 -0.22 1.96 -2.65 0.00 0.00 178.83 178.29 1xfr h GLN 89 N 0.47 -0.47 -0.61 1.69 4.20 0.38 0.23 115.11 121.00 1xfr h GLN 89 Ca 0.13 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1xfr h GLN 89 Cb 0.02 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1xfr h GLN 89 CO -0.02 -0.31 0.29 -0.07 -0.67 0.00 0.00 178.83 178.04 1xfr h LEU 90 N -0.49 0.37 -0.37 1.46 -0.00 -0.80 0.17 115.31 115.66 1xfr h LEU 90 Ca -0.01 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.84 1xfr h LEU 90 Cb 0.45 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1xfr h LEU 90 CO -0.04 0.24 -0.09 0.40 -0.00 0.00 0.00 178.44 178.94 1xfr h ILE 91 N 0.53 1.28 -0.69 1.22 5.03 -1.07 -0.20 117.51 123.60 1xfr h ILE 91 Ca 0.29 -1.17 0.07 0.00 -0.12 0.00 0.00 64.86 63.93 1xfr h ILE 91 Cb 0.27 1.28 -0.06 0.00 -3.03 0.00 0.00 36.82 35.28 1xfr h ILE 91 CO -0.23 0.39 0.38 -0.78 -0.68 0.00 0.00 178.15 177.23 1xfr h ASP 92 N 0.51 0.56 -0.01 1.72 1.82 0.34 0.37 116.42 121.72 1xfr h ASP 92 Ca 0.09 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1xfr h ASP 92 Cb 0.61 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1xfr h ASP 92 CO 0.04 0.35 -0.14 0.40 -1.61 0.00 0.00 179.24 178.27 1xfr h ILE 93 N 0.69 1.53 0.90 2.25 2.04 -1.00 -1.71 117.51 122.21 1xfr h ILE 93 Ca 0.32 -1.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 1xfr h ILE 93 Cb 0.23 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1xfr h ILE 93 CO -0.20 0.48 -0.49 0.58 0.00 0.00 0.00 178.15 178.52 1xfr h VAL 94 N -0.53 0.01 -0.33 1.67 2.07 -0.66 0.50 116.25 118.99 1xfr h VAL 94 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1xfr h VAL 94 Cb 0.86 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1xfr h VAL 94 CO 0.03 0.00 0.37 -0.74 0.02 0.00 0.00 177.57 177.25 1xfr h HIS 95 N -1.28 0.00 0.15 1.57 -0.00 -0.40 0.05 115.15 115.23 1xfr h HIS 95 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1xfr h HIS 95 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1xfr h HIS 95 CO -0.06 0.00 -0.07 0.78 -0.00 0.00 0.00 177.93 178.58 1xfr h GLY 96 N 0.00 -0.21 1.53 5.26 0.00 -0.59 -3.34 103.07 105.72 1xfr h GLY 96 Ca 0.15 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.63 1xfr h GLY 96 CO -0.00 -0.08 0.17 0.00 0.00 0.00 0.00 176.54 176.64 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -1.12 0.49 114.58 119.04 1xfr h GLU 98 Ca 0.11 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 98 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1xfr h GLU 98 CO -0.00 0.00 -1.43 0.36 -1.00 0.00 0.00 179.01 176.94 1xfr n LYS 99 N -3.91 0.89 0.26 2.33 0.00 -0.93 -4.67 118.16 112.13 1xfr n LYS 99 Ca 0.18 0.03 0.14 0.00 -0.00 0.00 0.00 58.31 58.65 1xfr n LYS 99 Cb 1.01 -1.15 0.64 0.00 -0.00 0.00 0.00 35.03 35.53 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1xfr h SER 100 N 0.00 0.00 -3.57 -5.58 0.02 -0.97 -3.43 113.55 100.02 1xfr h SER 100 Ca -0.17 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.15 1xfr h SER 100 Cb 1.29 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 1xfr h SER 100 CO -0.02 0.12 0.06 -0.89 -1.14 0.00 0.00 176.83 174.96 1xfr s THR 101 N -3.82 4.97 0.16 -2.27 2.01 0.14 -5.00 115.64 111.83 1xfr s THR 101 Ca -0.00 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 1xfr s THR 101 Cb 0.11 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1xfr s THR 101 CO 0.58 -0.17 1.24 -2.16 -0.69 0.00 0.00 174.62 173.42 1xfr s PRO 102 N 2.52 4.44 0.33 4.92 0.04 -1.26 -4.95 135.00 141.05 1xfr s PRO 102 Ca 0.22 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 1xfr s PRO 102 Cb -0.15 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.19 1xfr s PRO 102 CO 0.13 -0.18 0.82 0.00 0.04 0.00 0.00 177.00 177.80 1xfr s ALA 103 N 0.27 -0.99 1.00 8.56 0.00 -1.26 -4.95 121.76 124.39 1xfr s ALA 103 Ca 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1xfr s ALA 103 Cb -0.33 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1xfr s ALA 103 CO 0.35 -1.01 0.00 0.09 0.00 0.00 0.00 175.76 175.19 1xfr n ASN 104 N -1.16 -0.59 0.00 0.00 3.02 -1.26 -4.91 115.26 110.36 1xfr n ASN 104 Ca -0.07 -0.69 0.08 0.00 -0.03 0.00 0.00 54.58 53.88 1xfr n ASN 104 Cb 0.60 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.22 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xfr n ASP 105 N -2.95 0.00 -4.56 6.41 2.03 -1.26 -4.66 116.55 111.57 1xfr n ASP 105 Ca 0.00 -0.18 -0.32 0.00 0.52 0.00 0.00 54.79 54.80 1xfr n ASP 105 Cb 0.00 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfr s ASP 106 N -2.34 5.34 0.47 1.67 -1.08 -1.26 -4.83 116.67 114.63 1xfr s ASP 106 Ca 0.20 -0.41 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 1xfr s ASP 106 Cb 0.11 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 40.27 1xfr s ASP 106 CO 0.23 -2.49 1.89 0.11 0.52 0.00 0.00 175.17 175.43 1xfr h LYS 107 N 12.26 0.22 0.48 4.34 1.79 -1.99 -0.01 116.57 133.65 1xfr h LYS 107 Ca -0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1xfr h LYS 107 Cb 1.06 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1xfr h LYS 107 CO 1.23 0.14 -0.23 0.00 -1.08 0.00 0.00 179.45 179.52 1xfr h ILE 109 N -0.65 1.26 0.64 0.00 2.04 -1.34 -0.34 117.51 119.12 1xfr h ILE 109 Ca -0.07 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1xfr h ILE 109 Cb 0.50 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1xfr h ILE 109 CO 0.11 0.36 -0.42 -0.25 0.00 0.00 0.00 178.15 177.95 1xfr h TRP 110 N 0.92 -1.13 -0.43 1.37 7.01 -1.12 -1.86 115.95 120.71 1xfr h TRP 110 Ca 0.19 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1xfr h TRP 110 Cb 0.40 0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 1xfr h TRP 110 CO 0.03 -0.62 0.29 1.15 -2.79 0.00 0.00 178.44 176.50 1xfr h THR 111 N -1.00 1.08 -0.28 2.65 2.02 -0.93 0.11 112.91 116.55 1xfr h THR 111 Ca -0.09 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1xfr h THR 111 Cb 0.81 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1xfr h THR 111 CO 0.07 0.10 -0.12 0.25 0.37 0.00 0.00 175.52 176.18 1xfr h LEU 112 N 0.54 -0.42 0.32 2.58 5.85 -1.00 0.15 115.31 123.33 1xfr h LEU 112 Ca 0.16 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1xfr h LEU 112 Cb 0.00 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1xfr h LEU 112 CO -0.04 -0.16 -0.15 1.23 -0.34 0.00 0.00 178.44 178.98 1xfr h GLY 113 N -0.08 -0.45 0.26 3.75 0.00 -0.16 -2.56 103.07 103.83 1xfr h GLY 113 Ca 0.15 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.74 1xfr h GLY 113 CO -0.33 -0.16 0.11 -2.08 0.00 0.00 0.00 176.54 174.07 1xfr h VAL 114 N -0.51 0.68 -0.11 4.60 2.07 -1.01 -0.18 116.25 121.77 1xfr h VAL 114 Ca -0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1xfr h VAL 114 Cb 0.38 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1xfr h VAL 114 CO 0.07 0.04 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 1xfr h ALA 115 N 1.43 1.73 0.03 1.67 0.00 -0.88 -2.15 119.26 121.08 1xfr h ALA 115 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xfr h ALA 115 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xfr h ALA 115 CO -0.37 0.21 -0.18 1.15 0.00 0.00 0.00 179.25 180.06 1xfr h THR 116 N 0.16 1.70 -0.69 0.00 2.02 -0.64 -1.44 112.91 114.03 1xfr h THR 116 Ca 0.04 -2.30 0.01 0.00 0.77 0.00 0.00 66.41 64.93 1xfr h THR 116 Cb 0.18 3.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 1xfr h THR 116 CO 0.01 0.61 0.45 0.00 0.37 0.00 0.00 175.52 176.96 1xfr h PHE 118 N 0.92 0.41 -0.53 0.00 3.57 -1.47 -2.96 116.94 116.88 1xfr h PHE 118 Ca 0.26 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.87 1xfr h PHE 118 Cb -0.09 -0.13 -0.11 0.00 2.79 0.00 0.00 35.95 38.41 1xfr h PHE 118 CO -0.03 0.25 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.86 1xfr h LYS 119 N 0.44 -0.09 -0.34 1.11 3.64 -0.86 0.09 116.57 120.57 1xfr h LYS 119 Ca 0.14 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xfr h LYS 119 Cb -0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1xfr h LYS 119 CO -0.05 -0.06 0.23 0.00 -2.27 0.00 0.00 179.45 177.29 1xfr h ALA 120 N 1.30 1.81 -0.48 5.00 0.00 -1.41 -1.09 119.26 124.38 1xfr h ALA 120 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xfr h ALA 120 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xfr h ALA 120 CO -0.59 0.17 0.18 0.93 0.00 0.00 0.00 179.25 179.93 1xfr h GLU 121 N 0.42 0.72 -0.80 0.00 4.39 -0.92 -1.54 114.58 116.86 1xfr h GLU 121 Ca 0.13 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1xfr h GLU 121 Cb 0.01 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 1xfr h GLU 121 CO -0.03 0.66 0.49 0.82 -1.16 0.00 0.00 179.01 179.79 1xfr h ILE 122 N 0.63 1.04 0.04 3.13 1.08 -0.63 0.97 117.51 123.77 1xfr h ILE 122 Ca 0.16 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.33 1xfr h ILE 122 Cb 0.22 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 1xfr h ILE 122 CO -0.01 0.16 -0.14 0.45 -0.69 0.00 0.00 178.15 177.93 1xfr h HIS 123 N 0.90 -0.36 -0.40 1.37 3.86 -1.10 -0.32 115.15 119.09 1xfr h HIS 123 Ca 0.34 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.58 1xfr h HIS 123 Cb 0.15 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1xfr h HIS 123 CO -0.04 -0.21 0.23 0.87 0.86 0.00 0.00 177.93 179.64 1xfr h LYS 124 N -0.25 0.46 0.00 2.45 1.57 -0.24 -0.03 116.57 120.53 1xfr h LYS 124 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xfr h LYS 124 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xfr h LYS 124 CO -0.10 0.31 0.00 1.28 -0.57 0.00 0.00 179.45 180.36 1xfr n LEU 125 N -4.87 0.46 -3.34 2.94 4.77 0.23 -4.87 117.00 112.32 1xfr n LEU 125 Ca 0.01 0.69 -0.16 0.00 -0.03 0.00 0.00 56.01 56.52 1xfr n LEU 125 Cb 0.06 -0.72 0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1xfr n LEU 125 CO 0.32 -0.78 0.10 -3.20 -1.33 0.00 0.00 177.39 172.50 1xfr n ASN 126 N -2.09 -2.31 -1.22 -1.43 2.85 -0.03 -4.97 115.26 106.06 1xfr n ASN 126 Ca -0.00 -0.60 -0.01 0.00 -0.11 0.00 0.00 54.58 53.85 1xfr n ASN 126 Cb 0.07 -4.98 0.23 0.00 1.24 0.00 0.00 39.78 36.33 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 -3.98 1.32 -1.26 1.20 7.02 -0.19 -4.71 117.44 116.84 1xfr n TRP 127 Ca -0.27 -1.31 0.00 0.00 -1.02 0.00 0.00 57.50 54.90 1xfr n TRP 127 Cb 0.66 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67