#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 0.00 -0.14 1.43 4.20 -1.90 -0.59 115.11 118.11 1xfr h GLN 2 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1xfr h GLN 2 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1xfr h GLN 2 CO 0.00 0.00 -0.32 1.49 -0.67 0.00 0.00 178.83 179.33 1xfr h GLU 3 N 0.00 -0.29 0.12 1.46 4.81 -1.99 0.41 114.58 119.10 1xfr h GLU 3 Ca 0.03 0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.98 1xfr h GLU 3 Cb 0.15 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1xfr h GLU 3 CO -0.00 -0.19 -1.51 -0.24 -0.73 0.00 0.00 179.01 176.33 1xfr h VAL 4 N -0.30 1.17 -0.36 0.32 3.04 -1.85 -3.25 116.25 115.03 1xfr h VAL 4 Ca 0.03 -2.81 -0.13 0.00 -1.01 0.00 0.00 66.70 62.78 1xfr h VAL 4 Cb 0.38 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 1xfr h VAL 4 CO -0.29 0.82 -0.27 -0.03 -1.01 0.00 0.00 177.57 176.79 1xfr h MET 5 N 0.07 0.81 -0.55 4.17 4.05 -1.10 0.17 114.93 122.55 1xfr h MET 5 Ca -0.24 -0.40 -0.11 0.00 -0.28 0.00 0.00 59.70 58.67 1xfr h MET 5 Cb 2.01 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.79 1xfr h MET 5 CO 0.16 1.03 -0.10 -0.22 0.23 0.00 0.00 176.91 178.02 1xfr h LYS 6 N 0.60 1.05 -0.22 0.39 3.11 -1.06 0.01 116.57 120.45 1xfr h LYS 6 Ca 0.07 -0.38 0.04 0.00 -2.81 0.00 0.00 60.65 57.56 1xfr h LYS 6 Cb 0.84 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.97 1xfr h LYS 6 CO 0.07 1.08 -0.01 -0.97 -2.81 0.00 0.00 179.45 176.80 1xfr h ASN 7 N 0.93 -0.12 0.39 4.20 -1.24 -1.57 0.50 115.58 118.67 1xfr h ASN 7 Ca 0.14 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1xfr h ASN 7 Cb 0.67 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1xfr h ASN 7 CO 0.05 -0.03 -0.20 -0.07 -1.29 0.00 0.00 177.43 175.89 1xfr h LEU 8 N 0.05 -0.48 -1.29 0.34 3.38 -0.22 -0.10 115.31 117.00 1xfr h LEU 8 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xfr h LEU 8 Cb 0.14 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xfr h LEU 8 CO -0.19 -0.33 0.02 -1.20 0.09 0.00 0.00 178.44 176.83 1xfr n SER 9 N -5.33 0.50 -0.02 -0.43 7.64 -0.05 -1.50 113.62 114.44 1xfr n SER 9 Ca -0.11 0.73 -0.01 0.00 1.01 0.00 0.00 58.87 60.49 1xfr n SER 9 Cb 0.24 -0.78 -0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1xfr n SER 9 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xfr h LEU 10 N 0.00 0.00 0.00 -3.43 5.85 0.27 -3.41 115.31 114.58 1xfr h LEU 10 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xfr h LEU 10 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xfr h LEU 10 CO 0.00 0.24 0.00 -0.46 -0.34 0.00 0.00 178.44 177.88 1xfr n ASN 11 N -3.04 0.00 -0.28 1.25 0.23 -0.16 -1.10 115.26 112.17 1xfr n ASN 11 Ca -0.02 -0.32 -0.04 0.00 -0.53 0.00 0.00 54.58 53.68 1xfr n ASN 11 Cb 0.07 -0.21 0.01 0.00 -2.08 0.00 0.00 39.78 37.56 1xfr n ASN 11 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1xfr h PHE 12 N 0.00 -1.07 -0.67 -2.53 3.57 -1.48 -2.85 116.94 111.92 1xfr h PHE 12 Ca 0.00 0.09 -0.39 0.00 3.53 0.00 0.00 57.97 61.20 1xfr h PHE 12 Cb 0.20 0.58 -0.15 0.00 2.79 0.00 0.00 35.95 39.36 1xfr h PHE 12 CO 0.00 -0.40 0.41 0.41 -2.23 0.00 0.00 178.31 176.51 1xfr n GLY 13 N -1.44 4.23 0.16 2.40 0.00 -0.25 -4.46 105.19 105.82 1xfr n GLY 13 Ca 0.06 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 2.00 -0.28 -1.02 1.61 1.79 -1.67 -3.27 116.57 115.72 1xfr h LYS 14 Ca 0.33 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1xfr h LYS 14 Cb 0.86 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1xfr h LYS 14 CO 0.82 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 179.27 1xfr n ALA 15 N -2.48 2.32 0.29 3.86 0.00 -1.26 -4.46 120.51 118.78 1xfr n ALA 15 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1xfr n ALA 15 Cb 0.26 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 0.71 -0.60 -1.86 0.00 5.85 -1.89 0.25 115.31 117.77 1xfr h LEU 16 Ca 0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xfr h LEU 16 Cb 0.67 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1xfr h LEU 16 CO 0.00 -0.33 -0.09 -0.78 -0.34 0.00 0.00 178.44 176.90 1xfr h ASP 17 N -0.86 0.00 0.12 1.25 3.58 -1.88 0.10 116.42 118.73 1xfr h ASP 17 Ca -0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1xfr h ASP 17 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1xfr h ASP 17 CO 0.12 0.09 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.18 1xfr h GLU 18 N 0.00 -0.16 -0.93 0.28 5.08 -1.82 -1.14 114.58 115.90 1xfr h GLU 18 Ca -0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1xfr h GLU 18 Cb 0.16 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1xfr h GLU 18 CO 0.01 0.24 0.60 0.00 -1.00 0.00 0.00 179.01 178.85 1xfr h LYS 20 N 0.91 -0.83 0.00 0.00 1.57 -0.66 -2.02 116.57 115.53 1xfr h LYS 20 Ca 0.44 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.24 1xfr h LYS 20 Cb 0.46 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1xfr h LYS 20 CO -0.21 -0.56 -0.18 0.87 -0.57 0.00 0.00 179.45 178.81 1xfr h LYS 21 N -0.87 0.00 0.85 3.15 6.56 -0.83 0.18 116.57 125.62 1xfr h LYS 21 Ca -0.08 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.47 1xfr h LYS 21 Cb 0.68 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.35 1xfr h LYS 21 CO 0.11 0.18 -0.41 0.93 -2.06 0.00 0.00 179.45 178.20 1xfr h GLU 22 N 0.00 -1.09 -0.03 3.15 4.39 -0.84 -3.34 114.58 116.82 1xfr h GLU 22 Ca -0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1xfr h GLU 22 Cb 0.36 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1xfr h GLU 22 CO 0.02 -0.73 -0.03 -1.33 -1.16 0.00 0.00 179.01 175.79 1xfr n MET 23 N -5.57 1.99 -2.86 2.33 2.81 -0.77 -5.01 117.12 110.04 1xfr n MET 23 Ca -0.15 -1.75 -0.08 0.00 -1.81 0.00 0.00 57.70 53.91 1xfr n MET 23 Cb 0.45 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.15-10.91 -4.81 2.03 -1.04 0.56 -5.05 114.28 96.20 1xfr n THR 24 Ca 0.12 1.03 -0.33 0.00 -2.04 0.00 0.00 64.05 62.83 1xfr n THR 24 Cb 0.54 -7.06 -0.15 0.00 -1.82 0.00 0.00 70.33 61.84 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 -2.42 2.58 0.94 -4.42 1.43 -0.64 -5.03 118.68 111.11 1xfr s LEU 25 Ca 0.21 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1xfr s LEU 25 Cb -0.06 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.74 1xfr s LEU 25 CO 0.77 0.15 1.09 0.42 0.23 0.00 0.00 176.35 179.01 1xfr s THR 26 N 0.43 2.44 -0.89 5.49 -4.23 -1.26 -4.76 115.64 112.86 1xfr s THR 26 Ca -0.11 0.14 0.20 0.00 -1.18 0.00 0.00 61.69 60.74 1xfr s THR 26 Cb -0.16 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.25 1xfr s THR 26 CO 0.05 -0.19 1.64 -0.90 -0.54 0.00 0.00 174.62 174.68 1xfr n ASP 27 N -4.01 0.17 0.27 3.99 5.75 -1.26 -3.35 116.55 118.10 1xfr n ASP 27 Ca 0.06 0.53 0.10 0.00 -0.01 0.00 0.00 54.79 55.47 1xfr n ASP 27 Cb 0.56 -0.57 0.70 0.00 -1.03 0.00 0.00 41.12 40.78 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 2.58 1.85 0.00 2.12 0.00 -2.02 0.43 119.26 124.22 1xfr h ALA 28 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1xfr h ALA 28 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 28 CO 0.00 0.02 -0.42 -0.84 0.00 0.00 0.00 179.25 178.00 1xfr h ILE 29 N 0.00 1.29 0.00 0.00 3.07 -1.94 -1.39 117.51 118.53 1xfr h ILE 29 Ca -0.00 -1.47 0.00 0.00 1.55 0.00 0.00 64.86 64.94 1xfr h ILE 29 Cb 0.03 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1xfr h ILE 29 CO 0.00 0.42 0.00 0.78 -1.05 0.00 0.00 178.15 178.30 1xfr h ASN 30 N 0.00 0.00 0.22 2.16 2.35 -1.12 0.23 115.58 119.43 1xfr h ASN 30 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1xfr h ASN 30 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1xfr h ASN 30 CO 0.06 0.00 -0.11 1.05 -1.65 0.00 0.00 177.43 176.78 1xfr h GLU 31 N 0.00 -0.29 0.00 0.81 4.11 -1.22 -3.04 114.58 114.95 1xfr h GLU 31 Ca 0.00 0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 1xfr h GLU 31 Cb 0.33 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1xfr h GLU 31 CO 0.00 0.09 -0.61 0.38 0.07 0.00 0.00 179.01 178.94 1xfr h ASP 32 N -0.87 0.00 -0.25 3.06 3.04 -1.22 0.31 116.42 120.48 1xfr h ASP 32 Ca -0.03 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.72 1xfr h ASP 32 Cb 0.51 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.79 1xfr h ASP 32 CO 0.05 0.61 0.01 -0.26 -2.04 0.00 0.00 179.24 177.61 1xfr h PHE 33 N 0.00 0.48 -0.06 4.15 0.04 -1.18 0.42 116.94 120.78 1xfr h PHE 33 Ca -0.01 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1xfr h PHE 33 Cb 1.23 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 1xfr h PHE 33 CO 0.00 0.59 0.04 -0.92 -0.60 0.00 0.00 178.31 177.42 1xfr h TYR 34 N 0.23 0.08 0.00 -0.55 3.20 -1.23 -2.72 116.97 115.98 1xfr h TYR 34 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xfr h TYR 34 Cb 0.40 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1xfr h TYR 34 CO 0.03 0.09 0.00 0.09 -1.64 0.00 0.00 178.16 176.73 1xfr n ASN 35 N -5.02 0.00 -0.24 -2.11 3.02 0.10 -4.47 115.26 106.54 1xfr n ASN 35 Ca -0.06 -0.24 0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1xfr n ASN 35 Cb 0.05 -0.24 0.17 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.48 -0.14 3.10 3.04 -0.57 -0.97 116.94 121.87 1xfr h PHE 36 Ca 0.00 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 1xfr h PHE 36 Cb 0.21 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 1xfr h PHE 36 CO 0.00 0.08 0.12 0.91 -2.02 0.00 0.00 178.31 177.40 1xfr n TRP 37 N -5.00 0.46 -2.48 0.41 5.03 -1.26 -4.90 117.44 109.69 1xfr n TRP 37 Ca 0.13 -1.20 -0.23 0.00 3.03 0.00 0.00 57.50 59.23 1xfr n TRP 37 Cb 0.38 -0.59 0.05 0.00 -1.03 0.00 0.00 31.31 30.11 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 -0.54 2.36 -1.08 -0.99 3.01 -0.37 -5.03 119.74 117.10 1xfr s LYS 38 Ca 0.09 -0.63 -0.02 0.00 -1.01 0.00 0.00 55.97 54.40 1xfr s LYS 38 Cb 0.07 -2.37 0.29 0.00 -1.01 0.00 0.00 37.83 34.81 1xfr s LYS 38 CO 0.00 -0.94 1.88 -0.85 0.51 0.00 0.00 175.35 175.95 1xfr n GLU 39 N -2.57 5.21 -0.25 1.68 0.28 -1.26 -4.17 120.64 119.56 1xfr n GLU 39 Ca 0.08 -4.46 0.00 0.00 -0.16 0.00 0.00 57.16 52.63 1xfr n GLU 39 Cb 0.60 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.96 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 0.38 0.85 3.94 -1.84 0.00 -1.26 -5.13 105.19 102.13 1xfr n GLY 40 Ca 0.47 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 3.08 0.05 1.61 6.14 -1.26 -5.15 117.35 119.79 1xfr s TYR 41 Ca 0.00 0.31 0.03 0.00 0.64 0.00 0.00 57.07 58.05 1xfr s TYR 41 Cb 0.00 -2.69 -0.02 0.00 0.42 0.00 0.00 41.96 39.66 1xfr s TYR 41 CO 0.00 -0.80 -0.10 -1.83 0.64 0.00 0.00 175.55 173.46 1xfr s GLU 42 N -4.84 0.65 -0.14 4.97 -1.05 -1.26 -5.07 118.70 111.95 1xfr s GLU 42 Ca 0.54 -0.77 0.01 0.00 -0.15 0.00 0.00 54.97 54.60 1xfr s GLU 42 Cb -0.10 -0.52 0.02 0.00 -0.44 0.00 0.00 34.13 33.08 1xfr s GLU 42 CO 0.41 0.11 -0.16 0.42 0.95 0.00 0.00 175.26 176.99 1xfr s ILE 43 N -1.20 1.68 0.00 1.83 1.01 -1.26 -4.99 121.20 118.28 1xfr s ILE 43 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1xfr s ILE 43 Cb -0.09 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1xfr s ILE 43 CO 0.01 0.48 0.00 0.29 0.00 0.00 0.00 174.94 175.72 1xfr n LYS 44 N 4.55 4.17 -1.54 2.79 5.02 -1.26 -5.03 118.16 126.86 1xfr n LYS 44 Ca -0.18 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.64 1xfr n LYS 44 Cb 0.50 -0.47 -0.05 0.00 -0.02 0.00 0.00 35.03 35.00 1xfr n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xfr n ASN 45 N -0.22 2.82 0.29 4.39 3.02 -1.26 -4.81 115.26 119.49 1xfr n ASN 45 Ca 0.00 0.34 0.18 0.00 -0.03 0.00 0.00 54.58 55.07 1xfr n ASN 45 Cb 0.00 -1.43 0.96 0.00 -0.61 0.00 0.00 39.78 38.70 1xfr n ASN 45 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1xfr h ARG 46 N 13.63 0.00 -0.94 3.52 0.11 -1.96 -1.69 114.38 127.05 1xfr h ARG 46 Ca -0.36 0.00 0.18 0.00 0.10 0.00 0.00 59.98 59.91 1xfr h ARG 46 Cb 1.28 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.27 1xfr h ARG 46 CO 0.98 0.00 0.60 0.93 0.10 0.00 0.00 179.97 182.59 1xfr h GLU 47 N 0.00 0.59 0.15 0.08 3.07 -1.88 0.13 114.58 116.72 1xfr h GLU 47 Ca 0.03 -0.04 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1xfr h GLU 47 Cb 0.36 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1xfr h GLU 47 CO -0.00 0.39 -1.37 1.79 -1.40 0.00 0.00 179.01 178.42 1xfr h THR 48 N 0.61 1.37 -0.07 1.13 1.35 -1.67 -1.45 112.91 114.18 1xfr h THR 48 Ca 0.51 -2.92 0.04 0.00 -0.55 0.00 0.00 66.41 63.48 1xfr h THR 48 Cb 0.97 2.92 -0.06 0.00 -1.73 0.00 0.00 68.15 70.25 1xfr h THR 48 CO -0.26 0.86 -0.37 1.23 -0.25 0.00 0.00 175.52 176.73 1xfr h GLY 49 N 1.29 -0.61 1.86 5.82 0.00 -1.25 0.15 103.07 110.33 1xfr h GLY 49 Ca -0.19 0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 1xfr h GLY 49 CO 0.21 -0.23 -0.17 0.00 0.00 0.00 0.00 176.54 176.35 1xfr h ALA 51 N 1.67 0.06 -0.83 0.00 0.00 -0.15 0.03 119.26 120.03 1xfr h ALA 51 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xfr h ALA 51 Cb 0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 51 CO 0.03 -0.40 0.50 0.82 0.00 0.00 0.00 179.25 180.20 1xfr h ILE 52 N -0.02 1.23 -0.37 0.00 2.04 -0.44 0.10 117.51 120.05 1xfr h ILE 52 Ca 0.02 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1xfr h ILE 52 Cb 0.09 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1xfr h ILE 52 CO -0.00 0.24 0.23 -0.03 0.00 0.00 0.00 178.15 178.59 1xfr h MET 53 N 1.14 0.46 -0.20 2.37 4.05 -1.08 -0.37 114.93 121.30 1xfr h MET 53 Ca 0.30 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1xfr h MET 53 Cb -0.05 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1xfr h MET 53 CO -0.06 0.31 0.13 0.00 0.23 0.00 0.00 176.91 177.52 1xfr h LEU 55 N 0.26 1.10 0.13 0.00 3.38 -0.65 0.69 115.31 120.21 1xfr h LEU 55 Ca 0.08 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xfr h LEU 55 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1xfr h LEU 55 CO -0.02 0.95 -0.21 0.28 0.09 0.00 0.00 178.44 179.53 1xfr h SER 56 N 1.17 -0.59 -0.63 -0.43 0.02 -0.77 -1.46 113.55 110.87 1xfr h SER 56 Ca 0.27 0.07 0.13 0.00 -0.84 0.00 0.00 61.79 61.42 1xfr h SER 56 Cb 0.18 0.22 -0.11 0.00 0.14 0.00 0.00 62.40 62.82 1xfr h SER 56 CO -0.03 -0.30 -0.09 0.74 -1.14 0.00 0.00 176.83 176.02 1xfr h THR 57 N -0.41 0.42 0.00 -2.27 2.02 -0.64 0.15 112.91 112.18 1xfr h THR 57 Ca 0.02 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1xfr h THR 57 Cb 0.42 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1xfr h THR 57 CO -0.11 0.01 -0.00 0.11 0.37 0.00 0.00 175.52 175.90 1xfr h LYS 58 N 0.05 0.00 -0.66 6.66 1.79 -0.12 -0.42 116.57 123.86 1xfr h LYS 58 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1xfr h LYS 58 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1xfr h LYS 58 CO -0.60 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.05 1xfr n LEU 59 N -3.10 4.53 -3.54 2.94 4.77 -0.62 -4.94 117.00 117.04 1xfr n LEU 59 Ca -0.00 -2.28 -0.26 0.00 -0.03 0.00 0.00 56.01 53.43 1xfr n LEU 59 Cb 0.25 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1xfr n LEU 59 CO 0.26 0.79 -0.00 0.59 -1.33 0.00 0.00 177.39 177.69 1xfr n ASN 60 N 1.13 -4.10 -0.40 -1.43 3.02 -0.17 -4.77 115.26 108.53 1xfr n ASN 60 Ca 0.25 -0.53 0.04 0.00 -0.03 0.00 0.00 54.58 54.31 1xfr n ASN 60 Cb 0.84 -3.35 0.12 0.00 -0.61 0.00 0.00 39.78 36.77 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1xfr n MET 61 N -4.02 1.51 -4.09 3.52 2.81 0.45 -4.68 117.12 112.62 1xfr n MET 61 Ca -0.00 -0.79 -0.33 0.00 -1.81 0.00 0.00 57.70 54.77 1xfr n MET 61 Cb 0.54 -1.18 -0.16 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.03 2.64 1.22 4.03 1.43 -1.26 -0.08 118.68 125.63 1xfr s LEU 62 Ca 0.16 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1xfr s LEU 62 Cb 0.08 -1.52 0.31 0.00 0.03 0.00 0.00 46.19 45.09 1xfr s LEU 62 CO 0.11 -0.07 1.01 -1.81 0.23 0.00 0.00 176.35 175.81 1xfr s ASP 63 N 1.24 0.50 0.00 2.29 1.01 -0.11 -4.78 116.67 116.81 1xfr s ASP 63 Ca 0.00 1.45 -0.01 0.00 0.71 0.00 0.00 52.55 54.71 1xfr s ASP 63 Cb -0.15 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1xfr s ASP 63 CO -0.10 -4.49 1.76 -0.81 0.21 0.00 0.00 175.17 171.75 1xfr n PRO 64 N -5.10 0.90 0.00 8.23 -0.05 -1.26 -1.47 135.00 136.24 1xfr n PRO 64 Ca 0.03 -0.13 0.00 0.00 -0.05 0.00 0.00 63.50 63.35 1xfr n PRO 64 Cb 0.55 -1.25 0.00 0.00 -0.05 0.00 0.00 33.50 32.74 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1xfr n GLU 65 N 1.79 1.63 0.00 0.54 1.02 -1.26 -5.06 120.64 119.31 1xfr n GLU 65 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xfr n GLU 65 Cb 0.44 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.73 1.58 3.71 0.62 0.00 -0.55 -5.13 105.19 106.15 1xfr n GLY 66 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.29 -0.19 1.61 0.01 -1.26 -4.90 114.94 112.49 1xfr s ASN 67 Ca 0.00 -1.15 -0.34 0.00 -0.71 0.00 0.00 52.86 50.66 1xfr s ASN 67 Cb 0.00 -0.46 -0.11 0.00 0.41 0.00 0.00 41.25 41.09 1xfr s ASN 67 CO 0.00 -0.52 1.99 -0.11 -1.51 0.00 0.00 177.10 176.95 1xfr n LEU 68 N -1.17 2.98 -4.57 0.60 -0.00 -1.26 -0.94 117.00 112.65 1xfr n LEU 68 Ca -0.02 0.75 -0.34 0.00 -0.00 0.00 0.00 56.01 56.40 1xfr n LEU 68 Cb 0.65 -1.34 -0.04 0.00 -0.00 0.00 0.00 43.42 42.69 1xfr n LEU 68 CO 0.47 -0.34 1.49 -2.28 -0.00 0.00 0.00 177.39 176.73 1xfr s HIS 69 N 5.38 2.19 0.37 1.96 5.65 0.89 -4.67 115.29 127.06 1xfr s HIS 69 Ca 0.99 -0.16 0.13 0.00 0.25 0.00 0.00 55.06 56.27 1xfr s HIS 69 Cb -0.73 -4.34 0.95 0.00 -1.18 0.00 0.00 32.58 27.28 1xfr s HIS 69 CO 0.51 -1.74 1.82 0.45 -0.65 0.00 0.00 174.74 175.13 1xfr h HIS 70 N 10.10 0.75 0.00 3.88 -0.00 -1.89 -1.34 115.15 126.65 1xfr h HIS 70 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1xfr h HIS 70 Cb 0.98 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1xfr h HIS 70 CO 1.26 0.18 0.00 0.41 -0.00 0.00 0.00 177.93 179.78 1xfr n GLY 71 N -1.45 -2.95 0.24 2.45 0.00 -1.26 -1.97 105.19 100.24 1xfr n GLY 71 Ca 0.21 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1xfr n GLY 71 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xfr h ASN 72 N 0.00 0.00 -0.77 1.61 -1.24 -1.73 0.75 115.58 114.20 1xfr h ASN 72 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1xfr h ASN 72 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1xfr h ASN 72 CO 0.00 0.19 0.49 0.00 -1.29 0.00 0.00 177.43 176.82 1xfr h ALA 73 N 1.81 1.02 0.00 1.57 0.00 -1.35 -1.56 119.26 120.75 1xfr h ALA 73 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1xfr h ALA 73 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xfr h ALA 73 CO 0.03 0.27 -0.87 1.98 0.00 0.00 0.00 179.25 180.66 1xfr h MET 74 N 0.94 0.00 0.21 0.00 1.85 -0.27 -2.81 114.93 114.85 1xfr h MET 74 Ca 0.31 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.41 1xfr h MET 74 Cb 0.04 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 1xfr h MET 74 CO -0.12 0.87 -0.30 1.49 -0.40 0.00 0.00 176.91 178.45 1xfr h GLU 75 N 0.00 -0.55 -0.39 0.39 4.22 -0.92 -1.42 114.58 115.91 1xfr h GLU 75 Ca -0.01 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.55 1xfr h GLU 75 Cb 1.56 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.85 1xfr h GLU 75 CO 0.11 -0.37 -0.19 0.35 -2.18 0.00 0.00 179.01 176.73 1xfr h PHE 76 N -0.57 -0.48 0.44 0.92 3.57 -1.25 0.10 116.94 119.66 1xfr h PHE 76 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xfr h PHE 76 Cb 0.56 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1xfr h PHE 76 CO -0.23 -0.27 -0.41 0.00 -2.23 0.00 0.00 178.31 175.17 1xfr h ALA 77 N 1.14 -1.10 -1.00 2.41 0.00 -1.34 -3.13 119.26 116.26 1xfr h ALA 77 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xfr h ALA 77 Cb 0.42 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1xfr h ALA 77 CO -0.47 -1.11 0.66 0.87 0.00 0.00 0.00 179.25 179.20 1xfr h LYS 78 N -0.84 1.28 -0.96 0.00 6.56 -0.79 -1.88 116.57 119.94 1xfr h LYS 78 Ca -0.06 -0.08 0.25 0.00 -1.06 0.00 0.00 60.65 59.70 1xfr h LYS 78 Cb 0.71 -0.29 -0.06 0.00 -0.57 0.00 0.00 32.23 32.02 1xfr h LYS 78 CO -0.03 0.85 0.65 -0.22 -2.06 0.00 0.00 179.45 178.64 1xfr h LYS 79 N 1.32 0.26 -0.00 3.15 3.64 -0.96 -0.28 116.57 123.70 1xfr h LYS 79 Ca 0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1xfr h LYS 79 Cb -0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xfr h LYS 79 CO -0.10 0.17 -0.51 0.72 -2.27 0.00 0.00 179.45 177.47 1xfr n HIS 80 N -4.45 0.00 0.00 1.91 8.25 -0.81 -4.94 115.22 115.18 1xfr n HIS 80 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1xfr n HIS 80 Cb 0.86 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 1.49 1.36 3.76 -1.41 0.00 -0.11 -4.88 105.19 105.40 1xfr n GLY 81 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 2.81 0.80 4.61 0.00 -0.77 -4.98 121.76 122.22 1xfr s ALA 82 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1xfr s ALA 82 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1xfr s ALA 82 CO 0.00 -0.93 1.11 -0.51 0.00 0.00 0.00 175.76 175.43 1xfr s ASP 83 N -1.39 4.16 0.17 0.00 1.01 -1.26 -4.53 116.67 114.82 1xfr s ASP 83 Ca 0.70 1.93 -0.15 0.00 0.71 0.00 0.00 52.55 55.74 1xfr s ASP 83 Cb -0.31 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.14 1xfr s ASP 83 CO 0.36 -2.27 1.83 -0.08 0.21 0.00 0.00 175.17 175.22 1xfr h GLU 84 N -1.24 0.66 -0.06 8.23 4.22 -1.98 0.25 114.58 124.66 1xfr h GLU 84 Ca -0.44 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 58.86 1xfr h GLU 84 Cb 1.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1xfr h GLU 84 CO 0.49 0.44 -0.42 1.15 -2.18 0.00 0.00 179.01 178.49 1xfr h THR 85 N 0.68 1.31 0.04 0.32 2.02 -1.98 0.83 112.91 116.14 1xfr h THR 85 Ca 0.18 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 1xfr h THR 85 Cb -0.08 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1xfr h THR 85 CO -0.04 0.44 -0.02 -0.03 0.37 0.00 0.00 175.52 176.24 1xfr h MET 86 N 0.12 -0.06 -0.72 6.66 1.85 -1.83 -1.26 114.93 119.69 1xfr h MET 86 Ca 0.01 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1xfr h MET 86 Cb 0.80 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.80 1xfr h MET 86 CO 0.06 0.57 0.47 0.00 -0.40 0.00 0.00 176.91 177.61 1xfr h ALA 87 N 0.07 1.54 -0.35 0.39 0.00 -0.81 0.87 119.26 120.97 1xfr h ALA 87 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1xfr h ALA 87 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xfr h ALA 87 CO 0.01 0.41 0.03 0.37 0.00 0.00 0.00 179.25 180.07 1xfr h GLN 88 N 0.92 0.59 -0.29 0.00 5.75 -0.88 -2.10 115.11 119.11 1xfr h GLN 88 Ca 0.27 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1xfr h GLN 88 Cb -0.03 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1xfr h GLN 88 CO -0.07 0.69 0.10 1.96 -2.65 0.00 0.00 178.83 178.85 1xfr h GLN 89 N 0.42 0.22 -0.48 1.69 4.20 -0.12 0.28 115.11 121.32 1xfr h GLN 89 Ca 0.10 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1xfr h GLN 89 Cb 0.39 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1xfr h GLN 89 CO 0.01 0.14 0.32 -0.07 -0.67 0.00 0.00 178.83 178.56 1xfr h LEU 90 N 0.22 0.50 0.23 1.46 3.38 -0.79 -0.61 115.31 119.69 1xfr h LEU 90 Ca 0.13 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.74 1xfr h LEU 90 Cb 0.10 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 40.75 1xfr h LEU 90 CO -0.13 0.35 -1.59 0.40 0.09 0.00 0.00 178.44 177.55 1xfr h ILE 91 N 0.58 1.14 -0.70 1.22 5.03 -1.00 -3.06 117.51 120.73 1xfr h ILE 91 Ca 0.19 -2.63 -0.01 0.00 -0.12 0.00 0.00 64.86 62.29 1xfr h ILE 91 Cb 0.03 2.93 -0.03 0.00 -3.03 0.00 0.00 36.82 36.72 1xfr h ILE 91 CO -0.04 0.83 0.40 -0.78 -0.68 0.00 0.00 178.15 177.88 1xfr h ASP 92 N 0.13 0.84 0.07 1.72 3.58 0.25 0.39 116.42 123.40 1xfr h ASP 92 Ca -0.29 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 56.96 1xfr h ASP 92 Cb 2.14 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 43.00 1xfr h ASP 92 CO 0.24 0.66 -0.61 0.40 -2.88 0.00 0.00 179.24 177.05 1xfr h ILE 93 N 0.96 1.52 -0.14 2.25 2.04 -1.29 -1.74 117.51 121.10 1xfr h ILE 93 Ca 0.25 -2.32 -0.05 0.00 1.00 0.00 0.00 64.86 63.74 1xfr h ILE 93 Cb -0.02 3.00 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1xfr h ILE 93 CO -0.04 0.65 -0.10 0.58 0.00 0.00 0.00 178.15 179.24 1xfr h VAL 94 N -0.37 1.33 -0.09 1.67 2.07 -1.39 -2.87 116.25 116.60 1xfr h VAL 94 Ca -0.10 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1xfr h VAL 94 Cb 1.41 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 1xfr h VAL 94 CO 0.12 0.35 -0.03 -0.74 0.02 0.00 0.00 177.57 177.29 1xfr h HIS 95 N -0.05 -0.06 0.00 1.57 -0.00 -0.37 -1.07 115.15 115.18 1xfr h HIS 95 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1xfr h HIS 95 Cb 0.59 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1xfr h HIS 95 CO 0.08 -0.05 0.00 0.41 -0.00 0.00 0.00 177.93 178.37 1xfr n GLY 96 N -1.15 0.08 0.00 5.26 0.00 -0.66 -1.89 105.19 106.83 1xfr n GLY 96 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 5.08 -0.61 0.99 114.58 120.04 1xfr h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 98 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xfr h GLU 98 CO 0.00 0.00 -0.91 0.36 -1.00 0.00 0.00 179.01 177.46 1xfr n LYS 99 N -3.24 2.26 0.08 2.33 0.00 -1.25 -4.73 118.16 113.61 1xfr n LYS 99 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1xfr n LYS 99 Cb 0.36 -0.95 -0.13 0.00 -0.00 0.00 0.00 35.03 34.31 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 0.26 -3.17 -5.58 0.02 -1.70 -3.42 113.55 99.95 1xfr h SER 100 Ca 0.00 -0.29 -0.57 0.00 -0.84 0.00 0.00 61.79 60.10 1xfr h SER 100 Cb 0.50 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1xfr h SER 100 CO 0.00 1.23 0.98 -0.89 -1.14 0.00 0.00 176.83 177.00 1xfr s THR 101 N -2.67 4.12 0.47 -2.27 2.01 0.31 -4.98 115.64 112.64 1xfr s THR 101 Ca -0.03 1.25 -0.22 0.00 0.31 0.00 0.00 61.69 63.01 1xfr s THR 101 Cb 0.08 -4.18 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1xfr s THR 101 CO 0.86 -0.52 1.12 -2.16 -0.69 0.00 0.00 174.62 173.23 1xfr s PRO 102 N 4.25 3.73 0.31 4.92 0.05 -1.26 -4.87 135.00 142.13 1xfr s PRO 102 Ca 0.56 1.64 -0.14 0.00 0.05 0.00 0.00 61.00 63.11 1xfr s PRO 102 Cb -0.16 -2.29 0.02 0.00 0.05 0.00 0.00 34.50 32.13 1xfr s PRO 102 CO 0.24 -0.54 0.64 0.00 0.05 0.00 0.00 177.00 177.39 1xfr s ALA 103 N -1.68 -0.50 1.30 8.56 0.00 -1.26 -4.97 121.76 123.22 1xfr s ALA 103 Ca 0.65 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1xfr s ALA 103 Cb -0.25 0.90 0.32 0.00 0.00 0.00 0.00 23.12 24.10 1xfr s ALA 103 CO 0.30 -0.94 1.02 -0.80 0.00 0.00 0.00 175.76 175.34 1xfr s ASN 104 N -3.04 0.01 0.00 0.00 0.01 -1.26 -4.90 114.94 105.76 1xfr s ASN 104 Ca 0.18 0.81 0.08 0.00 -0.71 0.00 0.00 52.86 53.22 1xfr s ASN 104 Cb -0.03 -1.16 0.44 0.00 0.41 0.00 0.00 41.25 40.91 1xfr s ASN 104 CO 0.11 -4.70 0.93 -0.67 -1.51 0.00 0.00 177.10 171.26 1xfr n ASP 105 N -5.18 0.00 -4.56 -1.22 -0.08 -1.26 -4.56 116.55 99.70 1xfr n ASP 105 Ca 0.12 -0.19 -0.37 0.00 -1.51 0.00 0.00 54.79 52.84 1xfr n ASP 105 Cb 0.59 -0.03 -0.04 0.00 2.34 0.00 0.00 41.12 43.99 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xfr s ASP 106 N -2.06 5.78 0.49 1.67 2.15 -1.26 -4.84 116.67 118.61 1xfr s ASP 106 Ca 0.11 -0.63 0.26 0.00 0.43 0.00 0.00 52.55 52.72 1xfr s ASP 106 Cb 0.05 -2.56 1.26 0.00 -0.30 0.00 0.00 42.92 41.38 1xfr s ASP 106 CO 0.09 -2.11 1.98 0.11 -0.17 0.00 0.00 175.17 175.07 1xfr h LYS 107 N 11.38 0.00 0.36 4.34 1.79 -1.99 -0.43 116.57 132.03 1xfr h LYS 107 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1xfr h LYS 107 Cb 1.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1xfr h LYS 107 CO 1.29 0.16 -0.22 0.00 -1.08 0.00 0.00 179.45 179.60 1xfr h ILE 109 N -0.56 1.11 0.47 0.00 1.08 -1.52 -1.98 117.51 116.10 1xfr h ILE 109 Ca -0.04 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1xfr h ILE 109 Cb 0.46 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1xfr h ILE 109 CO 0.04 0.14 -0.33 -0.25 -0.69 0.00 0.00 178.15 177.06 1xfr h TRP 110 N 0.77 -0.88 -0.39 1.37 7.01 -1.00 -1.89 115.95 120.94 1xfr h TRP 110 Ca 0.23 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1xfr h TRP 110 Cb -0.03 0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1xfr h TRP 110 CO -0.04 -0.47 0.23 1.15 -2.79 0.00 0.00 178.44 176.51 1xfr h THR 111 N -0.76 1.11 -0.45 2.65 2.02 -1.23 0.84 112.91 117.09 1xfr h THR 111 Ca -0.06 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 66.94 1xfr h THR 111 Cb 0.62 0.57 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 1xfr h THR 111 CO 0.04 0.12 -0.36 0.25 0.37 0.00 0.00 175.52 175.93 1xfr h LEU 112 N 0.53 -1.22 -1.15 2.58 5.85 -1.23 -1.76 115.31 118.91 1xfr h LEU 112 Ca 0.14 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1xfr h LEU 112 Cb -0.01 0.56 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1xfr h LEU 112 CO -0.03 -0.33 0.50 1.23 -0.34 0.00 0.00 178.44 179.47 1xfr h GLY 113 N -0.26 1.15 1.52 3.75 0.00 -0.02 -1.22 103.07 108.00 1xfr h GLY 113 Ca 0.18 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xfr h GLY 113 CO -0.59 0.45 0.22 -2.08 0.00 0.00 0.00 176.54 174.55 1xfr h VAL 114 N 1.10 1.15 -0.22 4.60 2.07 -0.61 -1.35 116.25 123.00 1xfr h VAL 114 Ca 0.29 -0.43 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 1xfr h VAL 114 Cb -0.07 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1xfr h VAL 114 CO -0.06 0.18 -0.65 0.00 0.02 0.00 0.00 177.57 177.06 1xfr h ALA 115 N 1.61 0.38 -0.91 1.67 0.00 -0.52 -3.02 119.26 118.47 1xfr h ALA 115 Ca 0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xfr h ALA 115 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1xfr h ALA 115 CO -0.02 0.67 0.55 1.15 0.00 0.00 0.00 179.25 181.60 1xfr h THR 116 N 0.60 1.25 0.67 0.00 2.02 -0.13 0.18 112.91 117.50 1xfr h THR 116 Ca -0.02 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1xfr h THR 116 Cb 1.27 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1xfr h THR 116 CO 0.14 0.26 -0.32 0.00 0.37 0.00 0.00 175.52 175.97 1xfr h PHE 118 N -1.23 -0.33 -0.84 0.00 3.57 -1.32 0.56 116.94 117.36 1xfr h PHE 118 Ca -0.09 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.57 1xfr h PHE 118 Cb 0.70 0.23 -0.13 0.00 2.79 0.00 0.00 35.95 39.53 1xfr h PHE 118 CO 0.00 -0.24 -0.43 -0.22 -2.23 0.00 0.00 178.31 175.19 1xfr h LYS 119 N -0.02 -0.08 -0.28 1.11 3.11 -0.79 -0.77 116.57 118.85 1xfr h LYS 119 Ca 0.25 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.09 1xfr h LYS 119 Cb 0.40 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 1xfr h LYS 119 CO -0.55 -0.05 0.13 0.00 -2.81 0.00 0.00 179.45 176.17 1xfr h ALA 120 N 0.96 1.70 -0.28 5.00 0.00 -0.90 -0.72 119.26 125.02 1xfr h ALA 120 Ca 0.25 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1xfr h ALA 120 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xfr h ALA 120 CO -0.86 0.24 -0.50 0.93 0.00 0.00 0.00 179.25 179.06 1xfr h GLU 121 N 0.39 0.78 -0.35 0.00 4.39 -0.94 -2.43 114.58 116.42 1xfr h GLU 121 Ca 0.10 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1xfr h GLU 121 Cb 0.05 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1xfr h GLU 121 CO -0.01 1.09 0.15 0.82 -1.16 0.00 0.00 179.01 179.90 1xfr h ILE 122 N 0.61 1.18 -0.52 3.13 1.08 -0.19 -0.45 117.51 122.36 1xfr h ILE 122 Ca 0.03 -0.53 0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1xfr h ILE 122 Cb 1.08 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 1xfr h ILE 122 CO 0.11 0.19 0.28 0.45 -0.69 0.00 0.00 178.15 178.49 1xfr h HIS 123 N 0.42 0.51 -0.60 1.37 3.86 -1.29 -1.30 115.15 118.12 1xfr h HIS 123 Ca 0.12 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1xfr h HIS 123 Cb 0.16 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1xfr h HIS 123 CO -0.01 0.26 0.38 0.87 0.86 0.00 0.00 177.93 180.30 1xfr h LYS 124 N 0.54 0.74 0.00 2.45 1.57 -1.09 -1.14 116.57 119.64 1xfr h LYS 124 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1xfr h LYS 124 Cb 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xfr h LYS 124 CO -0.14 0.49 0.00 1.28 -0.57 0.00 0.00 179.45 180.51 1xfr n LEU 125 N -4.71 0.00 -1.73 2.94 4.77 -0.21 -4.85 117.00 113.22 1xfr n LEU 125 Ca 0.05 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.26 1xfr n LEU 125 Cb 0.06 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1xfr n LEU 125 CO 0.34 -0.30 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.72 1xfr n ASN 126 N -1.40 -4.63 -1.93 -1.43 2.85 -0.43 -4.88 115.26 103.39 1xfr n ASN 126 Ca 0.03 0.34 -0.12 0.00 -0.11 0.00 0.00 54.58 54.72 1xfr n ASN 126 Cb 0.08 -4.10 -0.09 0.00 1.24 0.00 0.00 39.78 36.91 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 -2.53 0.41 -0.73 1.20 7.02 -0.57 -4.74 117.44 117.50 1xfr n TRP 127 Ca -0.18 -1.48 0.00 0.00 -1.02 0.00 0.00 57.50 54.82 1xfr n TRP 127 Cb 0.58 -1.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.26 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67