#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 0.08 -0.04 1.43 4.20 -1.84 -1.97 115.11 116.97 1xfr h GLN 2 Ca 0.00 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1xfr h GLN 2 Cb 0.00 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1xfr h GLN 2 CO 0.00 0.06 -0.44 1.49 -0.67 0.00 0.00 178.83 179.27 1xfr h GLU 3 N 0.09 -0.54 -0.31 1.46 4.81 -1.99 0.17 114.58 118.27 1xfr h GLU 3 Ca 0.40 0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.51 1xfr h GLU 3 Cb 0.69 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1xfr h GLU 3 CO -0.67 -0.36 -0.42 -0.24 -0.73 0.00 0.00 179.01 176.58 1xfr h VAL 4 N -0.56 1.29 -0.69 0.32 3.04 -1.89 -2.63 116.25 115.12 1xfr h VAL 4 Ca 0.05 -1.61 0.11 0.00 -1.01 0.00 0.00 66.70 64.25 1xfr h VAL 4 Cb 0.66 1.50 -0.08 0.00 -2.01 0.00 0.00 31.29 31.36 1xfr h VAL 4 CO -0.35 0.52 0.28 -0.03 -1.01 0.00 0.00 177.57 176.98 1xfr h MET 5 N 0.62 0.44 -0.22 4.17 -1.53 -0.68 0.25 114.93 117.98 1xfr h MET 5 Ca 0.04 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1xfr h MET 5 Cb 0.98 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.93 1xfr h MET 5 CO 0.09 0.29 0.11 -0.22 0.14 0.00 0.00 176.91 177.32 1xfr h LYS 6 N 0.45 0.31 -0.54 0.39 3.11 -0.54 0.53 116.57 120.28 1xfr h LYS 6 Ca 0.36 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.12 1xfr h LYS 6 Cb 0.48 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 1xfr h LYS 6 CO -0.34 0.32 0.19 -0.97 -2.81 0.00 0.00 179.45 175.83 1xfr h ASN 7 N 0.23 0.72 0.04 4.20 -1.24 -0.98 -0.67 115.58 117.88 1xfr h ASN 7 Ca 0.08 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1xfr h ASN 7 Cb 0.11 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1xfr h ASN 7 CO -0.01 0.67 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.71 1xfr h LEU 8 N 0.78 -0.05 -1.42 0.34 3.38 -0.27 -0.62 115.31 117.45 1xfr h LEU 8 Ca 0.18 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xfr h LEU 8 Cb 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xfr h LEU 8 CO -0.01 0.30 0.47 -1.28 0.09 0.00 0.00 178.44 178.00 1xfr h SER 9 N -0.40 0.62 0.18 -0.43 0.87 -0.64 0.17 113.55 113.91 1xfr h SER 9 Ca -0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1xfr h SER 9 Cb 0.36 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xfr h SER 9 CO 0.01 0.39 -0.09 0.25 -0.53 0.00 0.00 176.83 176.86 1xfr h LEU 10 N 0.70 -0.21 -0.87 2.23 5.85 -1.03 -2.70 115.31 119.28 1xfr h LEU 10 Ca 0.31 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1xfr h LEU 10 Cb 0.31 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1xfr h LEU 10 CO -0.10 0.23 -0.13 0.78 -0.34 0.00 0.00 178.44 178.88 1xfr h ASN 11 N -0.69 0.68 -0.07 1.25 2.35 -0.52 -2.21 115.58 116.37 1xfr h ASN 11 Ca -0.02 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1xfr h ASN 11 Cb 0.49 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1xfr h ASN 11 CO 0.04 0.83 -0.02 0.15 -1.65 0.00 0.00 177.43 176.78 1xfr h PHE 12 N 0.63 -0.06 0.00 1.19 3.57 -0.77 -2.71 116.94 118.79 1xfr h PHE 12 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1xfr h PHE 12 Cb 0.58 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1xfr h PHE 12 CO 0.03 -0.04 0.00 0.41 -2.23 0.00 0.00 178.31 176.47 1xfr n GLY 13 N -1.14 1.38 0.28 2.40 0.00 -0.86 -4.41 105.19 102.85 1xfr n GLY 13 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.18 -0.66 -1.10 1.61 1.79 -1.21 -3.30 116.57 113.87 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 0.53 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1xfr h LYS 14 CO 0.00 -0.44 0.00 0.00 -1.08 0.00 0.00 179.45 177.93 1xfr n ALA 15 N -2.49 2.06 0.09 3.86 0.00 -1.26 -4.43 120.51 118.33 1xfr n ALA 15 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1xfr n ALA 15 Cb 0.27 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 1.01 -0.70 -0.89 0.00 5.85 -1.90 -0.88 115.31 117.81 1xfr h LEU 16 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1xfr h LEU 16 Cb 0.52 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1xfr h LEU 16 CO 0.00 -0.32 0.27 -0.78 -0.34 0.00 0.00 178.44 177.27 1xfr h ASP 17 N -0.42 1.00 0.43 1.25 3.58 -1.91 0.20 116.42 120.56 1xfr h ASP 17 Ca 0.04 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1xfr h ASP 17 Cb 0.47 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1xfr h ASP 17 CO -0.17 0.90 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.50 1xfr h GLU 18 N 1.06 -0.64 -0.88 0.28 5.08 -1.85 -1.74 114.58 115.89 1xfr h GLU 18 Ca 0.24 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1xfr h GLU 18 Cb 0.23 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1xfr h GLU 18 CO -0.02 -0.43 0.57 0.00 -1.00 0.00 0.00 179.01 178.14 1xfr h LYS 20 N 1.00 -0.03 -0.16 0.00 1.57 -0.28 -2.03 116.57 116.63 1xfr h LYS 20 Ca 0.38 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 1xfr h LYS 20 Cb 0.20 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xfr h LYS 20 CO -0.14 -0.02 -0.78 -0.22 -0.57 0.00 0.00 179.45 177.72 1xfr h LYS 21 N -0.03 0.81 -0.65 3.15 3.64 -0.71 0.35 116.57 123.12 1xfr h LYS 21 Ca 0.08 -0.66 0.10 0.00 -1.27 0.00 0.00 60.65 58.90 1xfr h LYS 21 Cb 0.16 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1xfr h LYS 21 CO -0.19 1.26 0.43 0.93 -2.27 0.00 0.00 179.45 179.62 1xfr h GLU 22 N 0.55 0.49 0.00 1.90 4.39 -0.43 -3.14 114.58 118.34 1xfr h GLU 22 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xfr h GLU 22 Cb 1.41 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1xfr h GLU 22 CO 0.16 0.32 0.00 -1.33 -1.16 0.00 0.00 179.01 177.01 1xfr n MET 23 N -4.48 3.63 -2.72 2.33 2.81 -0.78 -5.06 117.12 112.84 1xfr n MET 23 Ca 0.11 -0.15 -0.04 0.00 -1.81 0.00 0.00 57.70 55.81 1xfr n MET 23 Cb 0.35 -0.60 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 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 -0.56-11.23 -4.92 2.03 -1.04 -0.08 -5.07 114.28 93.41 1xfr n THR 24 Ca 0.00 1.35 -0.27 0.00 -2.04 0.00 0.00 64.05 63.09 1xfr n THR 24 Cb 0.01 -6.99 -0.15 0.00 -1.82 0.00 0.00 70.33 61.39 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 -2.02 2.10 0.00 -4.42 1.43 -0.09 -5.02 118.68 110.66 1xfr s LEU 25 Ca 0.11 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1xfr s LEU 25 Cb -0.03 -1.10 0.14 0.00 0.03 0.00 0.00 46.19 45.23 1xfr s LEU 25 CO 0.75 0.23 0.85 0.35 0.23 0.00 0.00 176.35 178.76 1xfr n THR 26 N 2.23 0.00 1.05 5.49 -2.24 -1.26 -4.72 114.28 114.83 1xfr n THR 26 Ca -0.16 -0.74 0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1xfr n THR 26 Cb 0.53 -1.54 0.43 0.00 -2.10 0.00 0.00 70.33 67.64 1xfr n THR 26 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xfr n ASP 27 N -3.44 0.33 0.25 3.42 5.75 -1.26 -3.85 116.55 117.74 1xfr n ASP 27 Ca 0.11 -0.04 0.09 0.00 -0.01 0.00 0.00 54.79 54.94 1xfr n ASP 27 Cb 0.39 -0.06 0.62 0.00 -1.03 0.00 0.00 41.12 41.04 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfr h ALA 28 N 3.09 1.57 0.00 2.12 0.00 -2.01 0.91 119.26 124.94 1xfr h ALA 28 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xfr h ALA 28 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xfr h ALA 28 CO 0.00 0.17 -0.21 -0.84 0.00 0.00 0.00 179.25 178.37 1xfr h ILE 29 N 0.00 0.95 -0.38 0.00 3.07 -1.95 -2.41 117.51 116.79 1xfr h ILE 29 Ca -0.00 -0.78 -0.16 0.00 1.55 0.00 0.00 64.86 65.47 1xfr h ILE 29 Cb 0.28 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.26 1xfr h ILE 29 CO 0.02 0.21 -0.39 -1.13 -1.05 0.00 0.00 178.15 175.80 1xfr h ASN 30 N 0.00 1.00 -0.57 2.16 -0.73 -1.05 0.13 115.58 116.52 1xfr h ASN 30 Ca -0.00 -0.47 0.01 0.00 1.87 0.00 0.00 56.30 57.71 1xfr h ASN 30 Cb 0.43 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 1xfr h ASN 30 CO 0.03 1.27 0.36 -0.08 -0.37 0.00 0.00 177.43 178.64 1xfr h GLU 31 N 0.76 0.71 0.54 6.67 4.81 -1.37 0.72 114.58 127.41 1xfr h GLU 31 Ca 0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1xfr h GLU 31 Cb 0.99 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.22 1xfr h GLU 31 CO 0.10 0.47 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.15 1xfr h ASP 32 N 0.73 -0.61 -0.47 1.04 5.19 -0.91 -0.17 116.42 121.22 1xfr h ASP 32 Ca 0.22 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1xfr h ASP 32 Cb -0.04 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1xfr h ASP 32 CO -0.07 -0.36 0.27 -0.26 -3.12 0.00 0.00 179.24 175.70 1xfr h PHE 33 N -0.82 0.65 0.29 4.55 0.04 -0.71 0.20 116.94 121.14 1xfr h PHE 33 Ca -0.07 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1xfr h PHE 33 Cb 0.59 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1xfr h PHE 33 CO -0.02 0.46 -0.14 -0.92 -0.60 0.00 0.00 178.31 177.09 1xfr h TYR 34 N 0.68 -0.36 -0.26 -0.55 3.20 -0.72 -3.24 116.97 115.72 1xfr h TYR 34 Ca 0.18 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 1xfr h TYR 34 Cb 0.02 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1xfr h TYR 34 CO 0.00 -0.12 -0.40 -0.91 -1.64 0.00 0.00 178.16 175.10 1xfr h ASN 35 N -0.56 0.66 -0.24 -2.11 2.35 -0.58 -3.42 115.58 111.69 1xfr h ASN 35 Ca -0.04 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1xfr h ASN 35 Cb 0.41 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1xfr h ASN 35 CO 0.07 0.98 -0.07 0.33 -1.65 0.00 0.00 177.43 177.09 1xfr n PHE 36 N -4.03 0.06 0.34 1.19 -0.00 0.66 -0.05 117.46 115.62 1xfr n PHE 36 Ca -0.02 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1xfr n PHE 36 Cb 0.52 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 39.38 1xfr n PHE 36 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1xfr n TRP 37 N -4.37 0.00 -3.17 -5.13 5.03 -1.26 -4.85 117.44 103.68 1xfr n TRP 37 Ca 0.03 -0.10 -0.35 0.00 3.03 0.00 0.00 57.50 60.11 1xfr n TRP 37 Cb 0.11 -0.10 -0.06 0.00 -1.03 0.00 0.00 31.31 30.23 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 0.01 4.11 -0.47 -0.99 1.02 0.93 -5.00 119.74 119.35 1xfr s LYS 38 Ca 0.00 0.72 -0.28 0.00 0.02 0.00 0.00 55.97 56.43 1xfr s LYS 38 Cb 0.00 -2.76 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 1xfr s LYS 38 CO 0.00 0.34 2.39 -1.91 -0.92 0.00 0.00 175.35 175.25 1xfr n GLU 39 N 0.40 1.13 0.00 1.68 2.13 -1.26 -3.93 120.64 120.79 1xfr n GLU 39 Ca -0.01 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1xfr n GLU 39 Cb 0.52 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 29.08 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 6.06 2.72 3.59 8.31 0.00 -1.26 -5.01 105.19 119.59 1xfr n GLY 40 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 0.85 -4.55 1.61 4.19 -1.25 -4.99 117.16 111.02 1xfr n TYR 41 Ca 0.00 0.52 -0.33 0.00 3.31 0.00 0.00 57.90 61.41 1xfr n TYR 41 Cb 0.00 -2.17 -0.11 0.00 0.49 0.00 0.00 39.34 37.55 1xfr n TYR 41 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1xfr s GLU 42 N -2.14 2.60 -0.30 2.98 2.02 -1.26 -4.98 118.70 117.61 1xfr s GLU 42 Ca 0.66 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 55.01 1xfr s GLU 42 Cb -0.52 -2.52 0.08 0.00 0.10 0.00 0.00 34.13 31.28 1xfr s GLU 42 CO 0.55 0.62 0.00 0.42 0.02 0.00 0.00 175.26 176.87 1xfr s ILE 43 N -0.91 2.02 0.00 -1.63 1.01 -1.26 -4.90 121.20 115.52 1xfr s ILE 43 Ca 0.15 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.87 1xfr s ILE 43 Cb -0.11 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1xfr s ILE 43 CO 0.05 -0.40 0.00 0.29 0.00 0.00 0.00 174.94 174.88 1xfr n LYS 44 N 4.41 3.17 -1.85 2.79 5.02 -1.26 -5.02 118.16 125.41 1xfr n LYS 44 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 1xfr n LYS 44 Cb 0.42 -0.27 -0.03 0.00 -0.02 0.00 0.00 35.03 35.13 1xfr n LYS 44 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfr s ASN 45 N -0.49 5.54 0.59 4.39 -0.87 -1.26 -4.87 114.94 117.97 1xfr s ASN 45 Ca 0.00 1.33 0.29 0.00 -1.57 0.00 0.00 52.86 52.91 1xfr s ASN 45 Cb 0.00 -2.52 1.56 0.00 -0.02 0.00 0.00 41.25 40.28 1xfr s ASN 45 CO 0.00 -1.98 1.98 0.08 -2.57 0.00 0.00 177.10 174.61 1xfr h ARG 46 N 14.44 0.00 0.00 -0.60 0.11 -1.94 -0.95 114.38 125.44 1xfr h ARG 46 Ca -0.34 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.67 1xfr h ARG 46 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1xfr h ARG 46 CO 1.05 0.00 -0.34 0.93 0.10 0.00 0.00 179.97 181.71 1xfr h GLU 47 N 0.00 0.00 -0.43 0.08 5.08 -1.89 0.03 114.58 117.45 1xfr h GLU 47 Ca 0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1xfr h GLU 47 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1xfr h GLU 47 CO -0.00 0.34 -0.20 1.79 -1.00 0.00 0.00 179.01 179.94 1xfr h THR 48 N 0.00 1.28 -0.08 1.13 1.35 -1.54 -1.14 112.91 113.90 1xfr h THR 48 Ca -0.00 -1.34 0.03 0.00 -0.55 0.00 0.00 66.41 64.55 1xfr h THR 48 Cb 0.66 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.26 1xfr h THR 48 CO 0.04 0.46 -0.13 1.23 -0.25 0.00 0.00 175.52 176.87 1xfr h GLY 49 N 0.73 -0.10 1.91 5.82 0.00 -1.25 0.11 103.07 110.30 1xfr h GLY 49 Ca 0.10 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 1xfr h GLY 49 CO 0.06 -0.14 -0.34 0.00 0.00 0.00 0.00 176.54 176.12 1xfr h ALA 51 N 1.56 -0.28 -0.41 0.00 0.00 -0.24 -1.03 119.26 118.86 1xfr h ALA 51 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xfr h ALA 51 Cb 0.66 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1xfr h ALA 51 CO 0.05 -0.66 -0.14 0.82 0.00 0.00 0.00 179.25 179.32 1xfr h ILE 52 N -0.29 0.52 -0.71 0.00 2.04 -0.56 0.27 117.51 118.78 1xfr h ILE 52 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1xfr h ILE 52 Cb 0.25 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1xfr h ILE 52 CO 0.01 0.00 0.46 -0.03 0.00 0.00 0.00 178.15 178.59 1xfr h MET 53 N -0.05 0.88 -0.36 2.37 4.05 -1.02 -0.15 114.93 120.66 1xfr h MET 53 Ca 0.20 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1xfr h MET 53 Cb 0.35 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1xfr h MET 53 CO -0.45 0.58 0.18 0.00 0.23 0.00 0.00 176.91 177.45 1xfr h LEU 55 N 0.44 -0.48 -0.13 0.00 3.38 0.03 0.36 115.31 118.90 1xfr h LEU 55 Ca 0.12 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1xfr h LEU 55 Cb 0.10 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1xfr h LEU 55 CO -0.02 -0.20 -0.39 0.28 0.09 0.00 0.00 178.44 178.20 1xfr h SER 56 N -0.21 -1.23 -0.59 -0.43 0.02 -0.94 -1.78 113.55 108.40 1xfr h SER 56 Ca 0.09 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1xfr h SER 56 Cb 0.33 0.51 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 1xfr h SER 56 CO -0.23 -0.41 0.36 0.00 -1.14 0.00 0.00 176.83 175.42 1xfr h THR 57 N -0.47 1.08 0.00 -2.27 1.03 -0.67 0.12 112.91 111.73 1xfr h THR 57 Ca 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1xfr h THR 57 Cb 0.61 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.98 1xfr h THR 57 CO -0.39 0.13 0.00 0.29 -0.01 0.00 0.00 175.52 175.54 1xfr n LYS 58 N -4.74 0.03 -0.32 0.00 5.02 0.07 -1.09 118.16 117.13 1xfr n LYS 58 Ca 0.05 0.33 0.08 0.00 -2.02 0.00 0.00 58.31 56.75 1xfr n LYS 58 Cb 0.07 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.43 3.41 -3.74 -0.35 4.77 -0.38 -4.98 117.00 114.29 1xfr n LEU 59 Ca 0.02 -2.79 -0.22 0.00 -0.03 0.00 0.00 56.01 52.99 1xfr n LEU 59 Cb 0.07 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1xfr n LEU 59 CO 0.06 0.68 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.52 1xfr n ASN 60 N -0.44 -1.24 -0.54 -1.43 5.15 -0.25 -4.93 115.26 111.59 1xfr n ASN 60 Ca 0.18 -0.84 0.06 0.00 -0.60 0.00 0.00 54.58 53.37 1xfr n ASN 60 Cb 0.74 -3.92 0.09 0.00 -0.53 0.00 0.00 39.78 36.16 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 -4.31 1.43 -3.74 1.20 2.81 0.26 -4.78 117.12 109.99 1xfr n MET 61 Ca -0.28 -1.51 -0.38 0.00 -1.81 0.00 0.00 57.70 53.72 1xfr n MET 61 Cb 0.67 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.81 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 -0.98 4.13 1.34 4.03 1.43 -1.26 -0.68 118.68 126.68 1xfr s LEU 62 Ca 0.17 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.16 1xfr s LEU 62 Cb 0.11 -1.89 0.34 0.00 0.03 0.00 0.00 46.19 44.78 1xfr s LEU 62 CO 0.15 -0.27 0.97 1.51 0.23 0.00 0.00 176.35 178.94 1xfr s ASP 63 N 1.47 -0.39 0.59 2.29 -4.77 -0.23 -4.78 116.67 110.85 1xfr s ASP 63 Ca 0.01 1.03 0.29 0.00 -3.30 0.00 0.00 52.55 50.57 1xfr s ASP 63 Cb -0.18 -1.51 1.53 0.00 -1.09 0.00 0.00 42.92 41.67 1xfr s ASP 63 CO 0.03 -4.98 1.95 -0.65 0.70 0.00 0.00 175.17 172.22 1xfr h PRO 64 N -3.16 0.00 0.00 2.11 0.11 -1.99 -0.44 132.00 128.63 1xfr h PRO 64 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1xfr h PRO 64 Cb 1.34 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1xfr h PRO 64 CO 0.36 0.00 -1.11 0.93 -0.21 0.00 0.00 178.00 177.97 1xfr h GLU 65 N 0.00 0.00 -0.13 1.05 4.39 -2.03 -3.47 114.58 114.38 1xfr h GLU 65 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1xfr h GLU 65 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1xfr h GLU 65 CO -0.00 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.61 1xfr n GLY 66 N 1.33 0.95 3.98 -3.84 0.00 -0.17 -5.11 105.19 102.33 1xfr n GLY 66 Ca -0.05 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.65 5.40 -0.05 1.61 0.01 -1.26 -4.86 114.94 113.14 1xfr s ASN 67 Ca 0.00 -0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 51.73 1xfr s ASN 67 Cb 0.00 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.80 1xfr s ASN 67 CO 0.00 -1.02 1.16 -0.22 -1.51 0.00 0.00 177.10 175.52 1xfr s LEU 68 N -4.63 4.29 -0.98 0.60 0.20 -1.26 -1.06 118.68 115.82 1xfr s LEU 68 Ca 0.56 1.78 -0.23 0.00 0.69 0.00 0.00 54.13 56.93 1xfr s LEU 68 Cb -0.10 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.14 1xfr s LEU 68 CO 0.37 -0.54 1.47 -2.28 -0.29 0.00 0.00 176.35 175.08 1xfr s HIS 69 N 2.02 2.46 0.34 5.38 5.65 0.14 -4.80 115.29 126.48 1xfr s HIS 69 Ca 0.55 -0.66 0.02 0.00 0.25 0.00 0.00 55.06 55.22 1xfr s HIS 69 Cb -0.24 -4.65 0.62 0.00 -1.18 0.00 0.00 32.58 27.13 1xfr s HIS 69 CO 0.22 -1.94 1.99 0.45 -0.65 0.00 0.00 174.74 174.81 1xfr h HIS 70 N 9.95 0.84 0.30 3.88 -0.00 -1.92 -1.02 115.15 127.19 1xfr h HIS 70 Ca 0.15 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1xfr h HIS 70 Cb 1.01 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1xfr h HIS 70 CO 1.26 0.52 -0.51 0.78 -0.00 0.00 0.00 177.93 179.98 1xfr h GLY 71 N 0.89 -1.21 1.10 2.45 0.00 -1.99 0.23 103.07 104.54 1xfr h GLY 71 Ca 0.26 0.62 0.03 0.00 0.00 0.00 0.00 47.33 48.24 1xfr h GLY 71 CO -0.06 -0.32 0.53 3.43 0.00 0.00 0.00 176.54 180.12 1xfr h ASN 72 N -0.86 0.87 0.43 0.19 4.21 -1.78 -1.47 115.58 117.17 1xfr h ASN 72 Ca -0.03 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 1xfr h ASN 72 Cb 0.80 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1xfr h ASN 72 CO -0.17 0.60 -0.20 0.00 -1.29 0.00 0.00 177.43 176.37 1xfr h ALA 73 N 1.52 -0.57 -0.88 -0.83 0.00 -0.91 -2.76 119.26 114.84 1xfr h ALA 73 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xfr h ALA 73 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xfr h ALA 73 CO -0.09 -0.79 0.50 1.98 0.00 0.00 0.00 179.25 180.85 1xfr h MET 74 N -0.63 1.21 -0.72 0.00 1.85 -0.69 -1.89 114.93 114.05 1xfr h MET 74 Ca -0.06 -0.13 0.09 0.00 -0.61 0.00 0.00 59.70 58.99 1xfr h MET 74 Cb 0.47 -0.24 -0.05 0.00 0.43 0.00 0.00 31.60 32.21 1xfr h MET 74 CO 0.10 0.87 0.48 0.93 -0.40 0.00 0.00 176.91 178.88 1xfr h GLU 75 N 1.22 0.63 -0.35 0.39 4.39 -1.21 -1.23 114.58 118.42 1xfr h GLU 75 Ca 0.31 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 1xfr h GLU 75 Cb 0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1xfr h GLU 75 CO -0.05 0.42 -0.18 0.35 -1.16 0.00 0.00 179.01 178.38 1xfr h PHE 76 N 0.65 0.73 0.49 4.33 3.57 -1.04 -1.32 116.94 124.36 1xfr h PHE 76 Ca 0.33 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1xfr h PHE 76 Cb 0.42 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xfr h PHE 76 CO -0.00 0.80 -0.24 0.00 -2.23 0.00 0.00 178.31 176.64 1xfr h ALA 77 N 1.21 -0.66 0.00 2.41 0.00 -1.10 -1.89 119.26 119.23 1xfr h ALA 77 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xfr h ALA 77 Cb 0.64 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xfr h ALA 77 CO 0.05 -0.77 0.00 1.63 0.00 0.00 0.00 179.25 180.15 1xfr n LYS 78 N -5.30 0.53 -0.01 0.00 4.01 -0.93 -1.63 118.16 114.83 1xfr n LYS 78 Ca -0.11 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.66 1xfr n LYS 78 Cb 0.31 -1.00 -0.12 0.00 -0.51 0.00 0.00 35.03 33.71 1xfr n LYS 78 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1xfr n LYS 79 N -0.50 0.64 0.00 1.97 4.81 -0.50 -4.48 118.16 120.09 1xfr n LYS 79 Ca 0.00 0.14 0.07 0.00 -0.87 0.00 0.00 58.31 57.66 1xfr n LYS 79 Cb 0.00 -1.72 -0.08 0.00 0.02 0.00 0.00 35.03 33.26 1xfr n LYS 79 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xfr n HIS 80 N -2.82 0.00 -0.41 5.64 8.25 -0.81 -5.00 115.22 120.08 1xfr n HIS 80 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1xfr n HIS 80 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 1.34 0.83 3.72 -1.41 0.00 -1.08 -4.90 105.19 103.69 1xfr n GLY 81 Ca 0.03 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 2.15 0.72 4.61 0.00 -0.65 -4.95 121.76 121.64 1xfr s ALA 82 Ca 0.00 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1xfr s ALA 82 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1xfr s ALA 82 CO 0.00 -1.86 1.09 -0.51 0.00 0.00 0.00 175.76 174.48 1xfr s ASP 83 N -1.88 5.29 -0.01 0.00 1.11 -1.26 -4.50 116.67 115.42 1xfr s ASP 83 Ca 0.76 1.22 -0.21 0.00 0.18 0.00 0.00 52.55 54.50 1xfr s ASP 83 Cb -0.31 -2.02 -0.22 0.00 1.07 0.00 0.00 42.92 41.44 1xfr s ASP 83 CO 0.44 -1.45 1.12 -0.08 1.18 0.00 0.00 175.17 176.38 1xfr h GLU 84 N -0.73 0.33 -0.94 8.23 4.81 -1.98 0.24 114.58 124.54 1xfr h GLU 84 Ca -0.45 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1xfr h GLU 84 Cb 1.25 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1xfr h GLU 84 CO 0.62 0.98 0.57 1.15 -0.73 0.00 0.00 179.01 181.60 1xfr h THR 85 N -0.21 1.26 0.01 0.32 2.02 -1.98 0.16 112.91 114.48 1xfr h THR 85 Ca -0.04 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1xfr h THR 85 Cb 1.10 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1xfr h THR 85 CO 0.08 0.27 -0.09 -0.03 0.37 0.00 0.00 175.52 176.12 1xfr h MET 86 N 1.30 -0.16 -0.11 6.66 1.85 -1.92 -0.88 114.93 121.67 1xfr h MET 86 Ca 0.34 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.35 1xfr h MET 86 Cb -0.06 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1xfr h MET 86 CO -0.06 -0.11 -0.31 0.00 -0.40 0.00 0.00 176.91 176.03 1xfr h ALA 87 N 0.81 1.27 0.69 0.39 0.00 -0.42 0.19 119.26 122.19 1xfr h ALA 87 Ca 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1xfr h ALA 87 Cb 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xfr h ALA 87 CO -0.09 0.50 -0.34 0.37 0.00 0.00 0.00 179.25 179.69 1xfr h GLN 88 N 0.19 -0.90 -0.64 0.00 -0.00 -0.50 -2.74 115.11 110.51 1xfr h GLN 88 Ca 0.03 0.06 0.09 0.00 -0.00 0.00 0.00 58.65 58.83 1xfr h GLN 88 Cb 0.65 0.21 -0.07 0.00 0.00 0.00 0.00 27.48 28.27 1xfr h GLN 88 CO 0.05 -0.60 0.29 1.96 0.00 0.00 0.00 178.83 180.52 1xfr h GLN 89 N -0.94 0.49 0.00 1.69 4.20 -0.85 0.21 115.11 119.91 1xfr h GLN 89 Ca -0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1xfr h GLN 89 Cb 0.72 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xfr h GLN 89 CO 0.15 0.32 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 1xfr n LEU 90 N -4.92 0.43 -0.12 1.46 4.77 0.65 -1.03 117.00 118.24 1xfr n LEU 90 Ca 0.09 0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 56.56 1xfr n LEU 90 Cb 0.26 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1xfr n LEU 90 CO 0.24 -0.78 -1.29 -0.38 -1.33 0.00 0.00 177.39 173.85 1xfr n ILE 91 N -2.06 1.34 -0.13 -0.08 -0.00 -0.27 -4.23 119.36 113.93 1xfr n ILE 91 Ca -0.01 -0.46 -0.04 0.00 -0.00 0.00 0.00 62.75 62.24 1xfr n ILE 91 Cb 0.06 -1.47 0.04 0.00 -0.00 0.00 0.00 39.64 38.26 1xfr n ILE 91 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1xfr h ASP 92 N -0.26 -0.13 -0.22 4.38 1.82 0.11 0.29 116.42 122.41 1xfr h ASP 92 Ca -0.55 0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.13 1xfr h ASP 92 Cb 1.73 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.89 1xfr h ASP 92 CO -0.17 -0.03 -0.05 0.40 -1.61 0.00 0.00 179.24 177.78 1xfr h ILE 93 N 0.14 1.28 0.34 2.25 2.04 -1.34 0.59 117.51 122.81 1xfr h ILE 93 Ca 0.21 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1xfr h ILE 93 Cb 0.29 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1xfr h ILE 93 CO -0.33 0.32 -0.17 0.58 0.00 0.00 0.00 178.15 178.55 1xfr h VAL 94 N 0.16 0.59 -0.90 1.67 2.07 -1.63 -2.28 116.25 115.93 1xfr h VAL 94 Ca 0.06 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.05 1xfr h VAL 94 Cb 0.51 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1xfr h VAL 94 CO 0.02 0.11 0.54 -0.74 0.02 0.00 0.00 177.57 177.52 1xfr h HIS 95 N -0.85 0.99 0.00 1.57 -0.00 -0.48 0.81 115.15 117.18 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 0.53 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1xfr h HIS 95 CO 0.03 0.42 0.00 0.41 -0.00 0.00 0.00 177.93 178.78 1xfr n GLY 96 N -1.33 -0.75 0.00 5.26 0.00 0.20 -2.65 105.19 105.91 1xfr n GLY 96 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 3.07 -0.80 0.29 114.58 117.13 1xfr h GLU 98 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1xfr h GLU 98 Cb 0.95 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1xfr h GLU 98 CO 0.00 0.00 -1.22 1.63 -1.40 0.00 0.00 179.01 178.02 1xfr n LYS 99 N -4.00 0.09 -0.34 2.33 4.01 -1.26 -4.76 118.16 114.23 1xfr n LYS 99 Ca 0.18 0.03 0.13 0.00 -0.51 0.00 0.00 58.31 58.15 1xfr n LYS 99 Cb 0.99 -0.73 0.35 0.00 -0.51 0.00 0.00 35.03 35.13 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 -0.11 0.74 -3.05 4.39 0.02 -1.72 -3.39 113.55 110.42 1xfr h SER 100 Ca -0.10 0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 1xfr h SER 100 Cb 1.10 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 1xfr h SER 100 CO -0.05 0.28 1.02 -0.89 -1.14 0.00 0.00 176.83 176.05 1xfr s THR 101 N -5.79 4.01 0.08 -2.27 2.01 0.07 -4.99 115.64 108.77 1xfr s THR 101 Ca -0.11 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.72 1xfr s THR 101 Cb 0.24 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 1xfr s THR 101 CO 0.80 -0.44 1.36 -2.16 -0.69 0.00 0.00 174.62 173.50 1xfr s PRO 102 N 4.33 4.33 0.20 4.92 0.04 -1.26 -4.94 135.00 142.62 1xfr s PRO 102 Ca 0.60 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 1xfr s PRO 102 Cb -0.19 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1xfr s PRO 102 CO 0.25 -0.44 0.54 0.00 0.04 0.00 0.00 177.00 177.39 1xfr s ALA 103 N 1.35 -1.01 1.39 8.56 0.00 -1.26 -5.03 121.76 125.76 1xfr s ALA 103 Ca 0.64 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1xfr s ALA 103 Cb -0.35 0.85 0.35 0.00 0.00 0.00 0.00 23.12 23.98 1xfr s ALA 103 CO 0.29 -0.81 0.98 -0.80 0.00 0.00 0.00 175.76 175.42 1xfr s ASN 104 N -2.86 -0.74 0.38 0.00 0.01 -1.26 -4.92 114.94 105.55 1xfr s ASN 104 Ca 0.09 0.68 0.21 0.00 -0.71 0.00 0.00 52.86 53.13 1xfr s ASN 104 Cb -0.01 -0.92 1.27 0.00 0.41 0.00 0.00 41.25 42.00 1xfr s ASN 104 CO -0.03 -5.15 1.63 0.44 -1.51 0.00 0.00 177.10 172.49 1xfr h ASP 105 N -3.28 0.38 -0.63 -1.22 3.32 -2.04 -3.42 116.42 109.53 1xfr h ASP 105 Ca -0.41 0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.61 1xfr h ASP 105 Cb 1.32 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1xfr h ASP 105 CO 0.26 -0.22 0.53 -0.62 -1.72 0.00 0.00 179.24 177.47 1xfr s ASP 106 N -4.69 4.76 0.66 6.45 -1.08 -1.26 -4.81 116.67 116.70 1xfr s ASP 106 Ca -0.09 -0.43 0.36 0.00 -0.52 0.00 0.00 52.55 51.87 1xfr s ASP 106 Cb 0.31 -2.56 1.99 0.00 -1.46 0.00 0.00 42.92 41.21 1xfr s ASP 106 CO 0.80 -3.08 2.14 0.11 0.52 0.00 0.00 175.17 175.66 1xfr h LYS 107 N 11.82 0.00 0.57 4.34 1.79 -1.99 0.11 116.57 133.22 1xfr h LYS 107 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1xfr h LYS 107 Cb 1.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1xfr h LYS 107 CO 1.15 0.00 -0.28 0.00 -1.08 0.00 0.00 179.45 179.24 1xfr h ILE 109 N -0.84 0.69 0.02 0.00 1.08 -1.01 -1.53 117.51 115.92 1xfr h ILE 109 Ca -0.08 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 1xfr h ILE 109 Cb 0.62 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1xfr h ILE 109 CO 0.13 0.00 -0.37 -0.25 -0.69 0.00 0.00 178.15 176.97 1xfr h TRP 110 N -0.16 -1.02 -0.31 1.37 7.01 -1.44 0.19 115.95 121.60 1xfr h TRP 110 Ca 0.07 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1xfr h TRP 110 Cb 0.26 0.45 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 1xfr h TRP 110 CO -0.21 -0.46 -0.15 1.15 -2.79 0.00 0.00 178.44 175.99 1xfr h THR 111 N -0.53 1.24 -0.20 2.65 2.02 -1.05 0.10 112.91 117.14 1xfr h THR 111 Ca 0.05 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.20 1xfr h THR 111 Cb 0.61 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1xfr h THR 111 CO -0.28 0.36 -0.22 0.25 0.37 0.00 0.00 175.52 175.99 1xfr h LEU 112 N 0.49 -0.71 -0.65 2.58 5.85 -0.98 -2.08 115.31 119.81 1xfr h LEU 112 Ca 0.09 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1xfr h LEU 112 Cb 0.54 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1xfr h LEU 112 CO 0.03 -0.26 -0.11 1.23 -0.34 0.00 0.00 178.44 178.99 1xfr h GLY 113 N -0.25 1.02 1.00 3.75 0.00 0.76 -0.83 103.07 108.52 1xfr h GLY 113 Ca 0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1xfr h GLY 113 CO -0.35 0.74 0.32 -2.08 0.00 0.00 0.00 176.54 175.17 1xfr h VAL 114 N 0.84 1.21 -0.29 4.60 2.07 -0.80 -2.50 116.25 121.37 1xfr h VAL 114 Ca 0.13 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1xfr h VAL 114 Cb 0.65 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xfr h VAL 114 CO 0.04 0.24 -0.20 0.00 0.02 0.00 0.00 177.57 177.67 1xfr h ALA 115 N 1.14 1.10 -0.27 1.67 0.00 -0.85 -2.89 119.26 119.16 1xfr h ALA 115 Ca 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xfr h ALA 115 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xfr h ALA 115 CO -0.03 0.55 0.06 1.15 0.00 0.00 0.00 179.25 180.99 1xfr h THR 116 N 0.49 1.22 0.19 0.00 2.02 -0.73 0.21 112.91 116.29 1xfr h THR 116 Ca 0.08 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1xfr h THR 116 Cb 0.62 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1xfr h THR 116 CO 0.04 0.23 -0.09 0.00 0.37 0.00 0.00 175.52 176.08 1xfr h PHE 118 N -0.42 -0.19 -0.28 0.00 3.57 -1.44 -2.19 116.94 116.00 1xfr h PHE 118 Ca -0.03 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1xfr h PHE 118 Cb 0.32 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1xfr h PHE 118 CO -0.02 -0.19 -0.23 -0.22 -2.23 0.00 0.00 178.31 175.42 1xfr h LYS 119 N 0.03 -0.21 -0.95 1.11 3.64 -0.50 -0.73 116.57 118.96 1xfr h LYS 119 Ca 0.25 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.83 1xfr h LYS 119 Cb 0.38 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.14 1xfr h LYS 119 CO -0.49 -0.14 0.53 0.00 -2.27 0.00 0.00 179.45 177.08 1xfr h ALA 120 N 0.88 1.55 -0.61 5.00 0.00 -1.15 0.07 119.26 125.00 1xfr h ALA 120 Ca 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xfr h ALA 120 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xfr h ALA 120 CO -0.41 -0.13 0.11 0.93 0.00 0.00 0.00 179.25 179.75 1xfr h GLU 121 N 0.65 1.00 -0.44 0.00 4.39 -0.97 -1.29 114.58 117.92 1xfr h GLU 121 Ca 0.56 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 60.01 1xfr h GLU 121 Cb 0.90 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1xfr h GLU 121 CO -0.41 0.93 0.26 0.82 -1.16 0.00 0.00 179.01 179.46 1xfr h ILE 122 N 0.90 1.05 -0.08 3.13 1.08 -0.35 0.24 117.51 123.49 1xfr h ILE 122 Ca 0.18 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1xfr h ILE 122 Cb 0.41 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1xfr h ILE 122 CO 0.01 0.10 0.02 0.45 -0.69 0.00 0.00 178.15 178.04 1xfr h HIS 123 N 0.53 0.04 -0.66 1.37 3.86 -1.18 -0.99 115.15 118.13 1xfr h HIS 123 Ca 0.17 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 1xfr h HIS 123 Cb 0.01 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 1xfr h HIS 123 CO -0.07 0.02 0.32 0.87 0.86 0.00 0.00 177.93 179.94 1xfr h LYS 124 N 0.06 0.56 0.00 2.45 1.57 -0.73 -0.34 116.57 120.14 1xfr h LYS 124 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xfr h LYS 124 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1xfr h LYS 124 CO -0.04 0.37 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 1xfr n LEU 125 N -4.87 0.00 -3.48 2.94 4.77 0.81 -4.86 117.00 112.31 1xfr n LEU 125 Ca 0.09 0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 56.20 1xfr n LEU 125 Cb 0.23 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1xfr n LEU 125 CO 0.26 -0.29 0.08 -3.20 -1.33 0.00 0.00 177.39 172.91 1xfr n ASN 126 N -1.38 -5.40 -1.07 -1.43 5.15 -0.14 -4.90 115.26 106.09 1xfr n ASN 126 Ca 0.03 -0.51 0.07 0.00 -0.60 0.00 0.00 54.58 53.57 1xfr n ASN 126 Cb 0.07 -4.33 0.23 0.00 -0.53 0.00 0.00 39.78 35.22 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 -4.58 0.90 -0.15 1.20 7.02 -0.47 -4.70 117.44 116.65 1xfr n TRP 127 Ca -0.02 -0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.08 1xfr n TRP 127 Cb 0.56 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67