#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfr n GLN 2 N 0.00 0.00 -0.18 1.43 7.27 -1.26 -0.29 117.38 124.36 1xfr n GLN 2 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1xfr n GLN 2 Cb 0.00 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.73 1xfr n GLN 2 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1xfr h GLU 3 N 0.00 0.24 -0.17 3.69 4.81 -2.00 0.74 114.58 121.89 1xfr h GLU 3 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1xfr h GLU 3 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xfr h GLU 3 CO 0.00 0.16 -0.42 0.28 -0.73 0.00 0.00 179.01 178.30 1xfr h VAL 4 N 0.24 1.31 -0.15 0.32 2.07 -1.00 -1.65 116.25 117.40 1xfr h VAL 4 Ca 0.28 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1xfr h VAL 4 Cb 0.39 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1xfr h VAL 4 CO -0.36 0.48 0.10 -0.03 0.02 0.00 0.00 177.57 177.78 1xfr h MET 5 N 0.34 0.20 0.02 1.57 -1.53 -0.79 0.19 114.93 114.93 1xfr h MET 5 Ca 0.03 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.29 1xfr h MET 5 Cb 0.88 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.87 1xfr h MET 5 CO 0.07 0.14 -0.08 -0.22 0.14 0.00 0.00 176.91 176.96 1xfr h LYS 6 N 0.20 -0.15 -0.93 0.39 3.64 -0.87 -1.28 116.57 117.58 1xfr h LYS 6 Ca 0.06 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1xfr h LYS 6 Cb -0.02 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1xfr h LYS 6 CO -0.01 -0.10 0.60 -0.97 -2.27 0.00 0.00 179.45 176.70 1xfr h ASN 7 N -0.16 1.01 0.08 4.20 -1.24 -1.04 0.13 115.58 118.56 1xfr h ASN 7 Ca 0.03 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1xfr h ASN 7 Cb 0.19 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1xfr h ASN 7 CO -0.07 0.69 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.65 1xfr h LEU 8 N 1.17 -0.09 -2.13 0.34 3.38 -0.31 0.10 115.31 117.77 1xfr h LEU 8 Ca 0.37 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1xfr h LEU 8 Cb -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xfr h LEU 8 CO -0.12 -0.05 0.11 -1.28 0.09 0.00 0.00 178.44 177.20 1xfr h SER 9 N -0.12 0.00 0.08 -0.43 0.87 -0.76 0.67 113.55 113.85 1xfr h SER 9 Ca -0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1xfr h SER 9 Cb 0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1xfr h SER 9 CO 0.02 0.00 -0.51 0.25 -0.53 0.00 0.00 176.83 176.06 1xfr h LEU 10 N 0.00 0.25 0.00 2.23 6.46 -0.06 -1.66 115.31 122.53 1xfr h LEU 10 Ca 0.06 -0.96 -0.16 0.00 -0.12 0.00 0.00 57.88 56.71 1xfr h LEU 10 Cb 0.28 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1xfr h LEU 10 CO -0.00 1.24 -0.90 0.78 -0.62 0.00 0.00 178.44 178.94 1xfr h ASN 11 N -0.66 0.00 0.10 1.25 2.35 -0.70 -2.28 115.58 115.65 1xfr h ASN 11 Ca -0.10 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1xfr h ASN 11 Cb 1.36 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.70 1xfr h ASN 11 CO 0.07 0.70 -0.29 0.15 -1.65 0.00 0.00 177.43 176.42 1xfr h PHE 12 N 0.00 -0.77 -0.28 1.19 3.04 -0.99 -3.28 116.94 115.85 1xfr h PHE 12 Ca -0.06 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.68 1xfr h PHE 12 Cb 1.58 0.33 -0.09 0.00 2.56 0.00 0.00 35.95 40.33 1xfr h PHE 12 CO 0.00 -0.39 -0.07 0.41 -2.02 0.00 0.00 178.31 176.24 1xfr n GLY 13 N -1.40 3.31 0.13 2.40 0.00 -0.62 -4.15 105.19 104.86 1xfr n GLY 13 Ca -0.06 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 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 1.77 0.61 0.00 1.61 5.02 -1.18 -4.55 118.16 121.43 1xfr n LYS 14 Ca 0.35 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1xfr n LYS 14 Cb 0.73 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1xfr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfr n ALA 15 N -3.36 2.33 0.35 7.82 0.00 -1.26 -4.48 120.51 121.91 1xfr n ALA 15 Ca -0.45 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.81 1xfr n ALA 15 Cb 0.95 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 0.90 -0.75 -1.15 0.00 5.85 -1.89 -1.54 115.31 116.72 1xfr h LEU 16 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1xfr h LEU 16 Cb 0.74 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1xfr h LEU 16 CO 0.00 -0.53 0.17 -0.78 -0.34 0.00 0.00 178.44 176.97 1xfr h ASP 17 N -0.86 0.71 0.56 1.25 3.58 -1.96 0.27 116.42 119.96 1xfr h ASP 17 Ca -0.08 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 1xfr h ASP 17 Cb 0.67 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1xfr h ASP 17 CO 0.13 0.67 -0.45 -0.33 -2.88 0.00 0.00 179.24 176.38 1xfr h GLU 18 N 0.76 -0.95 -0.02 0.28 4.39 -1.87 -0.19 114.58 116.98 1xfr h GLU 18 Ca 0.18 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1xfr h GLU 18 Cb 0.21 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xfr h GLU 18 CO -0.01 -0.63 0.01 0.00 -1.16 0.00 0.00 179.01 177.22 1xfr h LYS 20 N 0.00 -0.62 -0.20 0.00 1.57 -0.13 -3.11 116.57 114.07 1xfr h LYS 20 Ca 0.01 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1xfr h LYS 20 Cb 0.03 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xfr h LYS 20 CO -0.00 -0.32 -0.20 0.87 -0.57 0.00 0.00 179.45 179.23 1xfr h LYS 21 N -0.95 0.36 -0.42 3.15 6.56 -0.44 0.47 116.57 125.29 1xfr h LYS 21 Ca -0.07 -0.11 0.08 0.00 -1.06 0.00 0.00 60.65 59.49 1xfr h LYS 21 Cb 0.59 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1xfr h LYS 21 CO 0.11 0.55 0.29 0.93 -2.06 0.00 0.00 179.45 179.27 1xfr h GLU 22 N 0.33 0.21 0.00 3.15 4.39 -0.97 -3.28 114.58 118.42 1xfr h GLU 22 Ca 0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xfr h GLU 22 Cb 0.55 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1xfr h GLU 22 CO 0.04 0.14 0.00 -1.33 -1.16 0.00 0.00 179.01 176.70 1xfr n MET 23 N -4.46 -0.60 -3.15 2.33 2.81 -1.01 -5.05 117.12 108.00 1xfr n MET 23 Ca 0.06 -0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 55.43 1xfr n MET 23 Cb 0.34 -0.82 0.02 0.00 -0.71 0.00 0.00 33.22 32.05 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 -0.01 -7.41 -4.73 2.03 -1.04 0.01 -5.05 114.28 98.09 1xfr n THR 24 Ca 0.00 0.60 -0.33 0.00 -2.04 0.00 0.00 64.05 62.28 1xfr n THR 24 Cb 0.09 -5.34 -0.13 0.00 -1.82 0.00 0.00 70.33 63.13 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 -2.33 2.92 0.69 -4.42 1.43 -0.37 -5.03 118.68 111.57 1xfr s LEU 25 Ca 0.27 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1xfr s LEU 25 Cb -0.05 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1xfr s LEU 25 CO 0.75 0.29 1.15 0.42 0.23 0.00 0.00 176.35 179.19 1xfr s THR 26 N -0.40 2.87 0.11 5.49 -4.23 -1.26 -4.76 115.64 113.46 1xfr s THR 26 Ca 0.05 0.41 0.32 0.00 -1.18 0.00 0.00 61.69 61.29 1xfr s THR 26 Cb -0.12 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.15 1xfr s THR 26 CO 0.02 -0.24 1.97 -0.78 -0.54 0.00 0.00 174.62 175.05 1xfr h ASP 27 N -0.10 0.00 0.06 3.99 3.58 -2.00 -3.07 116.42 118.88 1xfr h ASP 27 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1xfr h ASP 27 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1xfr h ASP 27 CO 0.52 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.91 1xfr n ALA 28 N -2.11 1.08 0.40 -0.78 0.00 -1.26 -0.75 120.51 117.08 1xfr n ALA 28 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1xfr n ALA 28 Cb 0.32 -1.08 0.46 0.00 0.00 0.00 0.00 19.45 19.15 1xfr n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1xfr h ILE 29 N 0.00 0.00 0.14 0.00 3.07 -1.93 -3.10 117.51 115.69 1xfr h ILE 29 Ca 0.00 -0.50 -0.00 0.00 1.55 0.00 0.00 64.86 65.91 1xfr h ILE 29 Cb 0.03 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.99 1xfr h ILE 29 CO 0.00 0.00 -0.10 0.78 -1.05 0.00 0.00 178.15 177.78 1xfr h ASN 30 N 0.00 -0.27 -0.90 2.16 2.35 -1.21 0.25 115.58 117.97 1xfr h ASN 30 Ca 0.00 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 55.91 1xfr h ASN 30 Cb 0.61 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 38.98 1xfr h ASN 30 CO 0.00 -0.17 0.50 -0.33 -1.65 0.00 0.00 177.43 175.78 1xfr h GLU 31 N -0.25 0.71 -0.05 0.81 3.07 -1.72 0.30 114.58 117.44 1xfr h GLU 31 Ca -0.01 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1xfr h GLU 31 Cb 0.22 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1xfr h GLU 31 CO -0.00 0.47 -0.02 0.22 -1.40 0.00 0.00 179.01 178.27 1xfr h ASP 32 N 0.73 0.10 -0.84 1.42 1.82 -1.47 -0.29 116.42 117.90 1xfr h ASP 32 Ca 0.48 -0.41 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1xfr h ASP 32 Cb 0.63 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 1xfr h ASP 32 CO -0.34 0.49 0.40 -0.26 -1.61 0.00 0.00 179.24 177.92 1xfr h PHE 33 N -0.28 1.21 0.21 0.28 0.04 -0.47 0.22 116.94 118.15 1xfr h PHE 33 Ca 0.01 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1xfr h PHE 33 Cb 0.45 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1xfr h PHE 33 CO 0.07 0.88 -0.10 -0.92 -0.60 0.00 0.00 178.31 177.63 1xfr h TYR 34 N 1.19 -0.26 -0.30 -0.55 3.20 -0.43 -3.07 116.97 116.75 1xfr h TYR 34 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1xfr h TYR 34 Cb 0.13 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1xfr h TYR 34 CO 0.01 -0.14 0.00 0.09 -1.64 0.00 0.00 178.16 176.49 1xfr n ASN 35 N -5.20 1.83 -0.31 -2.11 3.02 -0.12 -4.47 115.26 107.91 1xfr n ASN 35 Ca -0.09 -1.91 0.10 0.00 -0.03 0.00 0.00 54.58 52.65 1xfr n ASN 35 Cb 0.14 -0.20 0.26 0.00 -0.61 0.00 0.00 39.78 39.38 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 2.12 0.78 -0.16 3.10 3.57 -0.47 0.20 116.94 126.07 1xfr h PHE 36 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xfr h PHE 36 Cb 0.48 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1xfr h PHE 36 CO 0.20 0.12 0.00 0.91 -2.23 0.00 0.00 178.31 177.31 1xfr n TRP 37 N -4.91 0.48 -0.89 0.41 5.03 -1.26 -4.90 117.44 111.40 1xfr n TRP 37 Ca 0.20 -0.18 -0.29 0.00 3.03 0.00 0.00 57.50 60.26 1xfr n TRP 37 Cb 0.52 -0.16 0.19 0.00 -1.03 0.00 0.00 31.31 30.83 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1xfr s LYS 38 N -1.53 0.23 -0.24 -0.99 3.01 0.06 -4.94 119.74 115.33 1xfr s LYS 38 Ca 0.14 0.85 0.07 0.00 -1.01 0.00 0.00 55.97 56.02 1xfr s LYS 38 Cb 0.10 -1.69 0.54 0.00 -1.01 0.00 0.00 37.83 35.78 1xfr s LYS 38 CO 0.05 -2.95 1.52 -0.85 0.51 0.00 0.00 175.35 173.63 1xfr n GLU 39 N -4.38 2.98 0.00 1.68 0.28 -1.26 -4.09 120.64 115.85 1xfr n GLU 39 Ca 0.06 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.83 1xfr n GLU 39 Cb 0.55 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.45 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 -0.05 0.00 3.81 -1.84 0.00 -1.26 -5.16 105.19 100.69 1xfr n GLY 40 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 3.54 -0.06 1.61 6.14 -1.26 -5.08 117.35 122.24 1xfr s TYR 41 Ca 0.00 1.53 0.05 0.00 0.64 0.00 0.00 57.07 59.29 1xfr s TYR 41 Cb 0.00 -2.75 -0.01 0.00 0.42 0.00 0.00 41.96 39.62 1xfr s TYR 41 CO 0.00 0.15 -0.22 -1.21 0.64 0.00 0.00 175.55 174.91 1xfr s GLU 42 N -2.45 2.40 -0.25 4.97 2.02 -1.26 -5.04 118.70 119.09 1xfr s GLU 42 Ca 0.51 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 1xfr s GLU 42 Cb -0.14 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 1xfr s GLU 42 CO 0.19 0.28 0.15 0.42 0.02 0.00 0.00 175.26 176.33 1xfr s ILE 43 N 0.04 5.12 0.00 -1.63 1.01 -1.26 -4.89 121.20 119.59 1xfr s ILE 43 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xfr s ILE 43 Cb -0.14 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1xfr s ILE 43 CO 0.04 0.32 0.00 0.29 0.00 0.00 0.00 174.94 175.59 1xfr n LYS 44 N 4.59 5.12 -1.84 2.79 4.76 -1.26 -5.03 118.16 127.30 1xfr n LYS 44 Ca -0.15 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.86 1xfr n LYS 44 Cb 0.52 -0.45 -0.03 0.00 -1.84 0.00 0.00 35.03 33.23 1xfr n LYS 44 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfr s ASN 45 N -0.05 5.76 0.55 4.39 0.01 -1.26 -4.83 114.94 119.50 1xfr s ASN 45 Ca 0.00 1.60 0.28 0.00 -0.71 0.00 0.00 52.86 54.03 1xfr s ASN 45 Cb 0.00 -2.52 1.45 0.00 0.41 0.00 0.00 41.25 40.59 1xfr s ASN 45 CO 0.00 -1.77 1.95 -0.09 -1.51 0.00 0.00 177.10 175.68 1xfr h ARG 46 N 13.57 0.00 -0.26 -0.60 2.43 -1.97 -1.13 114.38 126.42 1xfr h ARG 46 Ca -0.37 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1xfr h ARG 46 Cb 1.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1xfr h ARG 46 CO 1.00 0.00 0.20 0.93 -1.51 0.00 0.00 179.97 180.59 1xfr h GLU 47 N 0.00 0.00 -0.11 0.20 5.08 -1.96 -1.53 114.58 116.26 1xfr h GLU 47 Ca 0.29 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1xfr h GLU 47 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1xfr h GLU 47 CO -0.00 0.00 -0.11 1.79 -1.00 0.00 0.00 179.01 179.69 1xfr h THR 48 N 0.00 1.36 -0.75 1.13 1.35 -1.60 -1.15 112.91 113.26 1xfr h THR 48 Ca 0.12 -1.26 0.08 0.00 -0.55 0.00 0.00 66.41 64.80 1xfr h THR 48 Cb 0.52 1.95 -0.07 0.00 -1.73 0.00 0.00 68.15 68.83 1xfr h THR 48 CO -0.00 0.36 0.41 1.23 -0.25 0.00 0.00 175.52 177.27 1xfr h GLY 49 N -0.14 1.13 1.81 5.82 0.00 -1.42 0.11 103.07 110.38 1xfr h GLY 49 Ca 0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 1xfr h GLY 49 CO 0.03 0.13 -0.81 0.00 0.00 0.00 0.00 176.54 175.89 1xfr h ALA 51 N 1.06 0.18 -0.02 0.00 0.00 -0.32 -1.12 119.26 119.03 1xfr h ALA 51 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xfr h ALA 51 Cb 1.40 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1xfr h ALA 51 CO 0.12 -0.36 -0.37 0.82 0.00 0.00 0.00 179.25 179.46 1xfr h ILE 52 N 0.16 0.23 -0.55 0.00 2.04 -0.75 0.09 117.51 118.72 1xfr h ILE 52 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1xfr h ILE 52 Cb 0.01 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.26 1xfr h ILE 52 CO -0.04 0.00 0.24 -0.03 0.00 0.00 0.00 178.15 178.32 1xfr h MET 53 N -0.51 0.44 -0.35 2.37 4.05 -1.04 0.82 114.93 120.72 1xfr h MET 53 Ca 0.06 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1xfr h MET 53 Cb 0.60 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1xfr h MET 53 CO -0.31 0.29 0.15 0.00 0.23 0.00 0.00 176.91 177.27 1xfr h LEU 55 N 0.31 0.58 -0.39 0.00 3.38 0.50 0.89 115.31 120.59 1xfr h LEU 55 Ca 0.15 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1xfr h LEU 55 Cb 0.09 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1xfr h LEU 55 CO -0.13 0.56 -0.03 0.28 0.09 0.00 0.00 178.44 179.22 1xfr h SER 56 N 0.56 -0.22 -0.02 -0.43 0.02 -0.67 0.40 113.55 113.19 1xfr h SER 56 Ca 0.15 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 1xfr h SER 56 Cb 0.14 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1xfr h SER 56 CO -0.02 -0.07 -0.34 0.74 -1.14 0.00 0.00 176.83 176.00 1xfr h THR 57 N 0.08 0.26 0.00 -2.27 2.02 -0.59 -0.32 112.91 112.08 1xfr h THR 57 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1xfr h THR 57 Cb 0.28 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xfr h THR 57 CO -0.35 0.00 -0.08 0.11 0.37 0.00 0.00 175.52 175.57 1xfr h LYS 58 N -0.48 0.00 -0.24 6.66 1.79 0.06 0.17 116.57 124.53 1xfr h LYS 58 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xfr h LYS 58 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1xfr h LYS 58 CO -0.30 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 179.44 1xfr n LEU 59 N -4.06 1.04 -4.31 2.94 4.77 0.05 -4.90 117.00 112.53 1xfr n LEU 59 Ca -0.03 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.10 1xfr n LEU 59 Cb 0.17 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1xfr n LEU 59 CO 0.32 0.25 -0.33 -3.20 -1.33 0.00 0.00 177.39 173.09 1xfr n ASN 60 N 0.03 -0.25 -0.60 -1.43 5.15 0.60 -4.86 115.26 113.90 1xfr n ASN 60 Ca 0.06 -1.21 0.13 0.00 -0.60 0.00 0.00 54.58 52.96 1xfr n ASN 60 Cb 0.18 -1.91 0.27 0.00 -0.53 0.00 0.00 39.78 37.79 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 1.67 -3.84 1.20 2.81 -0.16 -4.77 117.12 109.61 1xfr n MET 61 Ca -0.19 -1.21 -0.36 0.00 -1.81 0.00 0.00 57.70 54.13 1xfr n MET 61 Cb 0.62 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.16 4.33 0.99 4.03 1.43 -1.26 -2.43 118.68 123.60 1xfr s LEU 62 Ca 0.29 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1xfr s LEU 62 Cb 0.20 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 44.42 1xfr s LEU 62 CO 0.39 0.34 0.42 -0.67 0.23 0.00 0.00 176.35 177.07 1xfr n ASP 63 N 2.44 -1.90 0.00 2.29 2.03 0.74 -4.60 116.55 117.56 1xfr n ASP 63 Ca -0.19 0.23 0.02 0.00 0.52 0.00 0.00 54.79 55.37 1xfr n ASP 63 Cb 0.54 -1.18 0.14 0.00 -0.72 0.00 0.00 41.12 39.90 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xfr n PRO 64 N -2.16 0.45 0.00 -0.67 -0.04 -1.26 -1.99 135.00 129.34 1xfr n PRO 64 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1xfr n PRO 64 Cb 0.55 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.67 4.37 -2.16 0.54 -0.58 -1.26 -5.00 120.64 115.88 1xfr n GLU 65 Ca 0.04 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1xfr n GLU 65 Cb 0.02 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfr n GLY 66 N 1.07 0.58 0.58 0.62 0.00 -0.84 -5.07 105.19 102.12 1xfr n GLY 66 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1xfr n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xfr n ASN 67 N 1.81 1.71 -4.71 1.61 3.02 -1.26 -4.92 115.26 112.53 1xfr n ASN 67 Ca 0.00 -1.36 -0.42 0.00 -0.03 0.00 0.00 54.58 52.77 1xfr n ASN 67 Cb 0.50 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xfr s LEU 68 N 0.00 4.35 0.25 3.41 1.98 -1.26 -0.18 118.68 127.23 1xfr s LEU 68 Ca 0.01 2.21 0.25 0.00 -2.89 0.00 0.00 54.13 53.72 1xfr s LEU 68 Cb 0.00 -3.58 0.93 0.00 0.66 0.00 0.00 46.19 44.21 1xfr s LEU 68 CO 0.01 -0.65 1.74 1.57 -1.89 0.00 0.00 176.35 177.13 1xfr n HIS 69 N 4.46 0.89 0.00 5.38 -0.00 -1.02 -4.32 115.22 120.61 1xfr n HIS 69 Ca 0.12 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1xfr n HIS 69 Cb 0.43 -1.01 0.00 0.00 -0.00 0.00 0.00 29.99 29.41 1xfr n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xfr n HIS 70 N -2.28 0.00 0.00 1.57 -0.00 -1.26 -4.64 115.22 108.60 1xfr n HIS 70 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1xfr n HIS 70 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1xfr n HIS 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xfr n GLY 71 N 0.00 -2.69 0.37 -1.41 0.00 -1.26 -2.10 105.19 98.09 1xfr n GLY 71 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 1.05 -0.61 1.61 -0.73 -1.86 -0.88 115.58 114.17 1xfr h ASN 72 Ca 0.00 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.23 1xfr h ASN 72 Cb 0.00 -0.23 -0.10 0.00 0.27 0.00 0.00 38.32 38.27 1xfr h ASN 72 CO 0.00 0.69 -0.57 0.00 -0.37 0.00 0.00 177.43 177.18 1xfr h ALA 73 N 1.43 -0.70 -0.41 1.57 0.00 -1.85 -0.05 119.26 119.25 1xfr h ALA 73 Ca 0.42 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1xfr h ALA 73 Cb 0.10 1.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1xfr h ALA 73 CO -0.15 -1.02 0.07 1.98 0.00 0.00 0.00 179.25 180.12 1xfr h MET 74 N -0.27 0.68 -0.30 0.00 1.85 -0.65 -1.31 114.93 114.94 1xfr h MET 74 Ca 0.10 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1xfr h MET 74 Cb 0.54 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 1xfr h MET 74 CO -0.71 0.72 0.19 0.93 -0.40 0.00 0.00 176.91 177.64 1xfr h GLU 75 N 0.54 0.39 -0.62 0.39 5.08 -0.97 -1.36 114.58 118.03 1xfr h GLU 75 Ca 0.13 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1xfr h GLU 75 Cb 0.37 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1xfr h GLU 75 CO 0.01 0.27 0.37 0.35 -1.00 0.00 0.00 179.01 179.00 1xfr h PHE 76 N 0.40 0.69 0.69 4.33 3.57 -0.85 -0.19 116.94 125.58 1xfr h PHE 76 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1xfr h PHE 76 Cb -0.04 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1xfr h PHE 76 CO -0.05 0.38 -0.40 0.00 -2.23 0.00 0.00 178.31 176.00 1xfr h ALA 77 N 1.29 -1.23 -0.59 2.41 0.00 -0.86 -2.90 119.26 117.39 1xfr h ALA 77 Ca 0.26 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xfr h ALA 77 Cb 0.06 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xfr h ALA 77 CO -0.12 -1.18 0.39 0.87 0.00 0.00 0.00 179.25 179.20 1xfr h LYS 78 N -1.02 0.52 -0.94 0.00 6.56 -1.15 -1.88 116.57 118.66 1xfr h LYS 78 Ca -0.09 -0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.59 1xfr h LYS 78 Cb 0.81 -0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 32.28 1xfr h LYS 78 CO 0.11 0.34 0.60 -0.22 -2.06 0.00 0.00 179.45 178.22 1xfr h LYS 79 N 0.54 0.84 0.00 3.15 3.64 -0.84 -0.67 116.57 123.23 1xfr h LYS 79 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xfr h LYS 79 Cb 0.32 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xfr h LYS 79 CO -0.07 0.56 0.00 0.72 -2.27 0.00 0.00 179.45 178.38 1xfr n HIS 80 N -4.58 0.00 -0.73 1.91 8.25 -0.72 -4.83 115.22 114.52 1xfr n HIS 80 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1xfr n HIS 80 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 0.57 0.74 3.75 -1.41 0.00 -0.26 -4.91 105.19 103.67 1xfr n GLY 81 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.68 2.65 0.69 4.61 0.00 -1.11 -4.95 121.76 120.96 1xfr s ALA 82 Ca 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1xfr s ALA 82 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1xfr s ALA 82 CO 0.00 -1.24 1.20 0.16 0.00 0.00 0.00 175.76 175.88 1xfr s ASP 83 N -1.34 4.51 0.13 0.00 -4.77 -1.26 -4.40 116.67 109.54 1xfr s ASP 83 Ca 0.75 2.34 -0.24 0.00 -3.30 0.00 0.00 52.55 52.10 1xfr s ASP 83 Cb -0.34 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 38.86 1xfr s ASP 83 CO 0.39 -2.05 1.65 -0.08 0.70 0.00 0.00 175.17 175.78 1xfr h GLU 84 N 0.03 -0.30 -0.17 2.11 4.22 -1.99 0.58 114.58 119.06 1xfr h GLU 84 Ca -0.48 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 1xfr h GLU 84 Cb 1.29 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1xfr h GLU 84 CO 0.51 -0.20 0.03 1.15 -2.18 0.00 0.00 179.01 178.32 1xfr h THR 85 N -0.31 1.22 -0.26 0.32 2.02 -1.99 -2.00 112.91 111.90 1xfr h THR 85 Ca 0.08 -0.70 0.06 0.00 0.77 0.00 0.00 66.41 66.62 1xfr h THR 85 Cb 0.42 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 1xfr h THR 85 CO -0.23 0.21 -0.18 -0.03 0.37 0.00 0.00 175.52 175.66 1xfr h MET 86 N 0.07 -0.16 -0.78 6.66 1.85 -1.86 -0.27 114.93 120.44 1xfr h MET 86 Ca 0.05 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1xfr h MET 86 Cb 0.30 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.32 1xfr h MET 86 CO 0.00 -0.10 0.43 0.00 -0.40 0.00 0.00 176.91 176.83 1xfr h ALA 87 N 0.99 1.28 0.22 0.39 0.00 -0.79 0.23 119.26 121.59 1xfr h ALA 87 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xfr h ALA 87 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xfr h ALA 87 CO -0.36 0.59 -0.18 0.37 0.00 0.00 0.00 179.25 179.67 1xfr h GLN 88 N 1.09 -0.41 -0.91 0.00 -0.00 -0.56 -2.60 115.11 111.72 1xfr h GLN 88 Ca 0.28 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.98 1xfr h GLN 88 Cb 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 27.48 27.55 1xfr h GLN 88 CO -0.04 -0.27 0.60 1.96 0.00 0.00 0.00 178.83 181.07 1xfr h GLN 89 N -0.42 1.15 0.00 1.69 4.20 -0.53 0.71 115.11 121.92 1xfr h GLN 89 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xfr h GLN 89 Cb 0.38 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xfr h GLN 89 CO -0.02 0.76 0.00 1.28 -0.67 0.00 0.00 178.83 180.18 1xfr n LEU 90 N -4.48 0.60 -0.11 1.46 4.77 0.77 -1.53 117.00 118.47 1xfr n LEU 90 Ca 0.11 0.71 -0.23 0.00 -0.03 0.00 0.00 56.01 56.57 1xfr n LEU 90 Cb 0.06 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 1xfr n LEU 90 CO 0.35 -0.76 -0.87 -0.38 -1.33 0.00 0.00 177.39 174.40 1xfr n ILE 91 N -2.23 1.52 0.22 -0.08 -0.00 -0.47 -4.17 119.36 114.15 1xfr n ILE 91 Ca 0.00 -0.14 0.06 0.00 -0.00 0.00 0.00 62.75 62.67 1xfr n ILE 91 Cb 0.12 -2.02 0.50 0.00 -0.00 0.00 0.00 39.64 38.24 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 -1.00 0.00 -0.04 4.38 3.58 -0.41 0.34 116.42 123.26 1xfr h ASP 92 Ca -0.44 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1xfr h ASP 92 Cb 1.35 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.40 1xfr h ASP 92 CO -0.27 0.23 -0.06 0.40 -2.88 0.00 0.00 179.24 176.66 1xfr h ILE 93 N 0.00 1.41 0.69 2.25 2.04 -1.54 -2.10 117.51 120.26 1xfr h ILE 93 Ca -0.00 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1xfr h ILE 93 Cb 0.43 2.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1xfr h ILE 93 CO 0.03 0.35 -0.33 0.58 0.00 0.00 0.00 178.15 178.78 1xfr h VAL 94 N -0.38 0.20 -0.90 1.67 2.07 -1.27 -2.42 116.25 115.22 1xfr h VAL 94 Ca 0.00 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1xfr h VAL 94 Cb 0.60 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1xfr h VAL 94 CO 0.01 0.02 0.58 -0.74 0.02 0.00 0.00 177.57 177.46 1xfr h HIS 95 N -1.11 1.00 0.00 1.57 -0.00 -0.57 0.12 115.15 116.15 1xfr h HIS 95 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1xfr h HIS 95 Cb 0.75 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1xfr h HIS 95 CO -0.00 0.49 0.00 0.41 -0.00 0.00 0.00 177.93 178.82 1xfr n GLY 96 N -1.40 -0.41 0.00 5.26 0.00 -0.79 -2.47 105.19 105.38 1xfr n GLY 96 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.93 0.04 114.58 116.76 1xfr h GLU 98 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1xfr h GLU 98 Cb 0.79 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1xfr h GLU 98 CO 0.00 0.00 -1.05 0.36 -1.40 0.00 0.00 179.01 176.92 1xfr n LYS 99 N -3.47 1.28 -0.25 2.33 0.00 -1.25 -4.81 118.16 111.98 1xfr n LYS 99 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.41 1xfr n LYS 99 Cb 1.16 -1.02 0.05 0.00 -0.00 0.00 0.00 35.03 35.21 1xfr n LYS 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xfr h SER 100 N 0.00 1.06 -2.48 -5.58 0.87 -1.55 -3.42 113.55 102.44 1xfr h SER 100 Ca -0.02 -0.23 -0.54 0.00 -1.23 0.00 0.00 61.79 59.77 1xfr h SER 100 Cb 1.04 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1xfr h SER 100 CO -0.00 1.01 1.17 -0.89 -0.53 0.00 0.00 176.83 177.58 1xfr s THR 101 N -5.33 3.28 0.02 2.23 2.01 -0.08 -4.97 115.64 112.81 1xfr s THR 101 Ca -0.12 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1xfr s THR 101 Cb 0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1xfr s THR 101 CO 0.84 -0.03 1.13 -2.16 -0.69 0.00 0.00 174.62 173.71 1xfr s PRO 102 N 4.25 4.46 0.30 4.92 0.04 -1.26 -4.97 135.00 142.74 1xfr s PRO 102 Ca 0.81 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.53 1xfr s PRO 102 Cb -0.38 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1xfr s PRO 102 CO 0.36 -0.22 0.16 0.00 0.04 0.00 0.00 177.00 177.34 1xfr s ALA 103 N 1.21 1.88 0.86 8.56 0.00 -1.26 -4.99 121.76 128.03 1xfr s ALA 103 Ca 0.56 -1.77 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1xfr s ALA 103 Cb -0.26 1.18 0.16 0.00 0.00 0.00 0.00 23.12 24.20 1xfr s ALA 103 CO 0.28 -0.52 1.19 -0.80 0.00 0.00 0.00 175.76 175.91 1xfr s ASN 104 N -3.36 3.69 0.00 0.00 0.01 -1.26 -4.96 114.94 109.06 1xfr s ASN 104 Ca 0.36 0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.68 1xfr s ASN 104 Cb 0.05 -0.32 0.28 0.00 0.41 0.00 0.00 41.25 41.67 1xfr s ASN 104 CO 0.17 -2.34 1.03 -0.67 -1.51 0.00 0.00 177.10 173.79 1xfr n ASP 105 N -3.39 0.00 -4.55 -1.22 -0.08 -1.26 -4.54 116.55 101.50 1xfr n ASP 105 Ca 0.14 0.23 -0.32 0.00 -1.51 0.00 0.00 54.79 53.33 1xfr n ASP 105 Cb 0.60 -0.30 -0.04 0.00 2.34 0.00 0.00 41.12 43.72 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 -2.60 4.94 0.60 1.67 -1.08 -1.26 -4.83 116.67 114.11 1xfr s ASP 106 Ca 0.05 0.14 0.31 0.00 -0.52 0.00 0.00 52.55 52.53 1xfr s ASP 106 Cb 0.04 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.76 1xfr s ASP 106 CO 0.09 -2.73 2.17 0.11 0.52 0.00 0.00 175.17 175.32 1xfr h LYS 107 N 14.43 0.00 0.28 4.34 1.79 -1.99 0.12 116.57 135.53 1xfr h LYS 107 Ca -0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1xfr h LYS 107 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1xfr h LYS 107 CO 1.18 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 179.42 1xfr h ILE 109 N -0.46 1.25 -0.15 0.00 1.08 -1.16 0.93 117.51 119.01 1xfr h ILE 109 Ca -0.04 -0.95 0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1xfr h ILE 109 Cb 0.35 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1xfr h ILE 109 CO 0.06 0.33 -0.35 -0.25 -0.69 0.00 0.00 178.15 177.25 1xfr h TRP 110 N 0.66 -1.06 -0.83 1.37 7.01 -1.10 -0.24 115.95 121.76 1xfr h TRP 110 Ca 0.14 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1xfr h TRP 110 Cb 0.41 0.48 -0.04 0.00 -2.10 0.00 0.00 29.16 27.91 1xfr h TRP 110 CO 0.03 -0.34 0.51 1.15 -2.79 0.00 0.00 178.44 177.00 1xfr h THR 111 N -0.33 1.23 -0.47 2.65 2.02 -1.04 -0.76 112.91 116.21 1xfr h THR 111 Ca 0.03 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.83 1xfr h THR 111 Cb 0.42 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.78 1xfr h THR 111 CO -0.32 0.23 -0.10 0.25 0.37 0.00 0.00 175.52 175.95 1xfr h LEU 112 N 1.14 -0.41 -0.38 2.58 6.46 -0.49 -1.15 115.31 123.05 1xfr h LEU 112 Ca 0.30 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 58.11 1xfr h LEU 112 Cb -0.07 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1xfr h LEU 112 CO -0.06 -0.15 -0.11 1.23 -0.62 0.00 0.00 178.44 178.74 1xfr h GLY 113 N 0.01 0.82 2.00 3.75 0.00 0.13 0.44 103.07 110.21 1xfr h GLY 113 Ca 0.22 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1xfr h GLY 113 CO -0.47 0.62 -0.03 -2.08 0.00 0.00 0.00 176.54 174.58 1xfr h VAL 114 N 0.56 0.47 0.18 4.60 2.07 -0.81 -0.89 116.25 122.43 1xfr h VAL 114 Ca 0.10 -0.14 -0.30 0.00 0.82 0.00 0.00 66.70 67.18 1xfr h VAL 114 Cb 0.63 1.09 0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1xfr h VAL 114 CO 0.04 0.03 -1.42 0.00 0.02 0.00 0.00 177.57 176.24 1xfr h ALA 115 N 1.97 0.02 -0.61 1.67 0.00 -0.79 -3.34 119.26 118.19 1xfr h ALA 115 Ca -0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 1xfr h ALA 115 Cb 0.09 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xfr h ALA 115 CO 0.00 0.76 0.36 1.15 0.00 0.00 0.00 179.25 181.53 1xfr h THR 116 N -0.07 1.18 0.16 0.00 2.02 0.43 0.13 112.91 116.76 1xfr h THR 116 Ca -0.27 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1xfr h THR 116 Cb 1.96 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1xfr h THR 116 CO 0.17 0.19 -0.08 0.00 0.37 0.00 0.00 175.52 176.18 1xfr h PHE 118 N -0.30 0.23 -0.46 0.00 3.57 -1.58 -2.66 116.94 115.74 1xfr h PHE 118 Ca -0.02 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1xfr h PHE 118 Cb 0.23 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1xfr h PHE 118 CO -0.04 0.19 -0.32 -0.22 -2.23 0.00 0.00 178.31 175.68 1xfr h LYS 119 N 0.22 -0.21 -0.24 1.11 3.64 -0.77 -0.20 116.57 120.11 1xfr h LYS 119 Ca 0.06 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xfr h LYS 119 Cb 0.02 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1xfr h LYS 119 CO -0.01 -0.14 0.05 0.00 -2.27 0.00 0.00 179.45 177.08 1xfr h ALA 120 N 0.86 1.65 -0.53 5.00 0.00 -1.42 -0.96 119.26 123.86 1xfr h ALA 120 Ca 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xfr h ALA 120 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xfr h ALA 120 CO -0.58 0.27 0.18 0.93 0.00 0.00 0.00 179.25 180.05 1xfr h GLU 121 N 0.33 0.81 -0.37 0.00 4.39 -0.77 0.27 114.58 119.24 1xfr h GLU 121 Ca 0.08 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1xfr h GLU 121 Cb 0.15 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1xfr h GLU 121 CO -0.00 0.74 0.17 0.82 -1.16 0.00 0.00 179.01 179.57 1xfr h ILE 122 N 0.73 0.95 -0.19 3.13 1.08 0.06 0.16 117.51 123.42 1xfr h ILE 122 Ca 0.17 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1xfr h ILE 122 Cb 0.26 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1xfr h ILE 122 CO -0.01 0.06 -0.05 0.45 -0.69 0.00 0.00 178.15 177.91 1xfr h HIS 123 N 0.34 -0.11 -0.88 1.37 3.86 -1.06 -0.02 115.15 118.65 1xfr h HIS 123 Ca 0.16 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1xfr h HIS 123 Cb 0.10 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 1xfr h HIS 123 CO -0.12 -0.09 0.58 0.87 0.86 0.00 0.00 177.93 180.04 1xfr h LYS 124 N -0.01 1.15 0.00 2.45 1.57 -0.23 -0.48 116.57 121.01 1xfr h LYS 124 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xfr h LYS 124 Cb 0.15 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1xfr h LYS 124 CO -0.20 0.76 0.00 1.28 -0.57 0.00 0.00 179.45 180.71 1xfr n LEU 125 N -4.48 0.00 -2.10 2.94 4.77 0.48 -4.88 117.00 113.73 1xfr n LEU 125 Ca 0.10 0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 56.25 1xfr n LEU 125 Cb 0.03 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1xfr n LEU 125 CO 0.36 -0.27 -0.24 -3.20 -1.33 0.00 0.00 177.39 172.71 1xfr n ASN 126 N -1.38 -5.69 -0.10 -1.43 5.15 -0.19 -4.91 115.26 106.71 1xfr n ASN 126 Ca 0.03 0.19 0.12 0.00 -0.60 0.00 0.00 54.58 54.32 1xfr n ASN 126 Cb 0.08 -4.84 0.27 0.00 -0.53 0.00 0.00 39.78 34.75 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1xfr n TRP 127 N -3.38 0.00 1.91 1.20 7.02 -0.08 -4.86 117.44 119.26 1xfr n TRP 127 Ca -0.23 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.41 1xfr n TRP 127 Cb 0.68 -0.18 0.87 0.00 -2.42 0.00 0.00 31.31 30.26 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67