#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 1.23 -0.49 1.43 -0.00 -1.85 -0.04 115.11 115.38 1xfr h GLN 2 Ca 0.00 -0.07 0.09 0.00 -0.00 0.00 0.00 58.65 58.66 1xfr h GLN 2 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 27.48 27.13 1xfr h GLN 2 CO 0.00 0.81 0.07 1.49 0.00 0.00 0.00 178.83 181.20 1xfr h GLU 3 N 1.26 0.19 0.26 1.69 4.81 -1.97 0.49 114.58 121.31 1xfr h GLU 3 Ca 0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1xfr h GLU 3 Cb -0.02 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1xfr h GLU 3 CO -0.11 0.12 -0.12 0.28 -0.73 0.00 0.00 179.01 178.45 1xfr h VAL 4 N 0.19 0.80 -0.82 0.32 2.07 -1.74 -2.53 116.25 114.54 1xfr h VAL 4 Ca 0.25 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1xfr h VAL 4 Cb 0.35 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1xfr h VAL 4 CO -0.35 0.11 0.54 -0.03 0.02 0.00 0.00 177.57 177.85 1xfr h MET 5 N -0.61 0.79 -0.21 1.57 1.85 -0.25 0.19 114.93 118.27 1xfr h MET 5 Ca -0.04 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 58.84 1xfr h MET 5 Cb 0.44 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1xfr h MET 5 CO 0.06 0.52 -0.54 -0.22 -0.40 0.00 0.00 176.91 176.33 1xfr h LYS 6 N 0.82 0.61 -0.77 0.39 3.64 -0.98 -2.07 116.57 118.21 1xfr h LYS 6 Ca 0.37 -0.38 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xfr h LYS 6 Cb 0.37 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1xfr h LYS 6 CO -0.14 0.99 0.50 -0.97 -2.27 0.00 0.00 179.45 177.56 1xfr h ASN 7 N 0.47 0.73 -0.05 4.20 -1.24 -0.32 0.76 115.58 120.12 1xfr h ASN 7 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1xfr h ASN 7 Cb 1.09 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.98 1xfr h ASN 7 CO 0.10 0.47 0.02 -0.07 -1.29 0.00 0.00 177.43 176.66 1xfr h LEU 8 N 0.83 0.08 -1.81 0.34 4.07 -0.32 -1.79 115.31 116.70 1xfr h LEU 8 Ca 0.33 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1xfr h LEU 8 Cb 0.23 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1xfr h LEU 8 CO -0.11 0.27 0.09 -1.28 -1.08 0.00 0.00 178.44 176.32 1xfr h SER 9 N -0.12 0.18 -0.30 -0.43 0.87 -0.92 0.96 113.55 113.81 1xfr h SER 9 Ca 0.02 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1xfr h SER 9 Cb 0.22 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1xfr h SER 9 CO -0.00 0.15 -0.18 0.25 -0.53 0.00 0.00 176.83 176.52 1xfr h LEU 10 N 0.21 0.76 0.00 2.23 5.85 -0.54 -3.22 115.31 120.60 1xfr h LEU 10 Ca 0.06 -0.25 -0.28 0.00 0.84 0.00 0.00 57.88 58.25 1xfr h LEU 10 Cb 0.01 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1xfr h LEU 10 CO -0.01 0.94 -1.98 0.59 -0.34 0.00 0.00 178.44 177.64 1xfr n ASN 11 N -4.13 0.42 0.15 1.25 3.02 -0.70 -3.85 115.26 111.42 1xfr n ASN 11 Ca 0.01 0.19 -0.14 0.00 -0.03 0.00 0.00 54.58 54.61 1xfr n ASN 11 Cb 0.41 0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 40.11 1xfr n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 12 N 0.00 -0.30 -0.21 3.10 3.04 -0.89 -2.97 116.94 118.72 1xfr h PHE 12 Ca -0.35 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.56 1xfr h PHE 12 Cb 1.95 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 40.54 1xfr h PHE 12 CO 0.00 -0.17 0.03 0.41 -2.02 0.00 0.00 178.31 176.56 1xfr n GLY 13 N -1.17 2.11 0.26 2.40 0.00 -1.22 -4.36 105.19 103.21 1xfr n GLY 13 Ca -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 1.16 -0.10 -0.64 1.61 1.79 -1.62 -1.00 116.57 117.76 1xfr h LYS 14 Ca 0.03 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xfr h LYS 14 Cb 1.08 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1xfr h LYS 14 CO 0.19 -0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.50 1xfr n ALA 15 N -2.95 2.60 0.02 3.86 0.00 -1.26 -4.56 120.51 118.22 1xfr n ALA 15 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1xfr n ALA 15 Cb 0.30 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 0.48 -1.15 -0.66 0.00 7.12 -1.48 0.15 115.31 119.76 1xfr h LEU 16 Ca 0.00 0.15 -0.09 0.00 0.13 0.00 0.00 57.88 58.08 1xfr h LEU 16 Cb 0.48 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1xfr h LEU 16 CO 0.04 -0.41 -0.41 -0.78 -0.13 0.00 0.00 178.44 176.75 1xfr h ASP 17 N -0.48 0.00 0.86 1.25 1.82 -1.83 -0.39 116.42 117.66 1xfr h ASP 17 Ca 0.07 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1xfr h ASP 17 Cb 0.60 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.62 1xfr h ASP 17 CO -0.35 0.41 -0.41 -0.33 -1.61 0.00 0.00 179.24 176.95 1xfr h GLU 18 N 0.00 -1.12 -0.10 0.28 5.08 -1.76 -1.94 114.58 115.02 1xfr h GLU 18 Ca -0.00 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1xfr h GLU 18 Cb 1.04 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xfr h GLU 18 CO 0.05 -0.74 0.19 0.00 -1.00 0.00 0.00 179.01 177.51 1xfr h LYS 20 N 0.00 -0.88 -0.21 0.00 1.57 -0.80 -3.26 116.57 113.00 1xfr h LYS 20 Ca 0.05 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1xfr h LYS 20 Cb 0.43 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xfr h LYS 20 CO -0.00 -0.59 -0.09 0.87 -0.57 0.00 0.00 179.45 179.07 1xfr h LYS 21 N -1.24 0.33 -0.51 3.15 6.56 -0.39 0.37 116.57 124.84 1xfr h LYS 21 Ca -0.09 -0.07 0.14 0.00 -1.06 0.00 0.00 60.65 59.56 1xfr h LYS 21 Cb 0.70 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1xfr h LYS 21 CO 0.15 0.43 0.36 0.93 -2.06 0.00 0.00 179.45 179.27 1xfr h GLU 22 N 0.31 0.04 0.00 3.15 4.39 -1.10 -3.12 114.58 118.25 1xfr h GLU 22 Ca 0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1xfr h GLU 22 Cb 0.37 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1xfr h GLU 22 CO 0.02 0.03 0.00 -1.33 -1.16 0.00 0.00 179.01 176.57 1xfr n MET 23 N -4.40 -0.28 -3.30 2.33 2.81 -0.96 -5.05 117.12 108.27 1xfr n MET 23 Ca 0.09 -0.44 -0.21 0.00 -1.81 0.00 0.00 57.70 55.33 1xfr n MET 23 Cb 0.56 -0.83 0.02 0.00 -0.71 0.00 0.00 33.22 32.26 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 -0.05 -4.44 -4.23 2.03 -1.04 -0.15 -5.06 114.28 101.35 1xfr n THR 24 Ca 0.00 0.41 -0.28 0.00 -2.04 0.00 0.00 64.05 62.13 1xfr n THR 24 Cb 0.12 -3.92 -0.09 0.00 -1.82 0.00 0.00 70.33 64.62 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -1.93 3.09 0.86 -4.42 1.43 -0.06 -5.01 118.68 112.64 1xfr s LEU 25 Ca 0.22 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1xfr s LEU 25 Cb -0.03 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.49 1xfr s LEU 25 CO 0.57 0.14 1.22 0.42 0.23 0.00 0.00 176.35 178.93 1xfr s THR 26 N -1.43 2.03 -1.60 5.49 -4.23 -1.26 -4.70 115.64 109.94 1xfr s THR 26 Ca 0.24 -0.05 0.25 0.00 -1.18 0.00 0.00 61.69 60.94 1xfr s THR 26 Cb -0.10 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1xfr s THR 26 CO 0.15 0.00 1.43 -0.67 -0.54 0.00 0.00 174.62 174.99 1xfr n ASP 27 N -3.46 1.06 0.28 3.99 2.03 -1.26 -3.53 116.55 115.66 1xfr n ASP 27 Ca 0.12 -0.86 0.14 0.00 0.52 0.00 0.00 54.79 54.70 1xfr n ASP 27 Cb 0.60 0.26 0.84 0.00 -0.72 0.00 0.00 41.12 42.10 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xfr h ALA 28 N 3.53 1.68 -0.00 -1.67 0.00 -1.99 -1.56 119.26 119.25 1xfr h ALA 28 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1xfr h ALA 28 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xfr h ALA 28 CO 0.00 -0.03 -0.85 -0.84 0.00 0.00 0.00 179.25 177.53 1xfr h ILE 29 N 0.00 1.50 -0.82 0.00 3.07 -1.96 -2.55 117.51 116.75 1xfr h ILE 29 Ca 0.01 -2.60 0.14 0.00 1.55 0.00 0.00 64.86 63.96 1xfr h ILE 29 Cb 0.05 2.44 -0.06 0.00 -0.27 0.00 0.00 36.82 38.98 1xfr h ILE 29 CO -0.00 0.76 0.54 -1.13 -1.05 0.00 0.00 178.15 177.26 1xfr h ASN 30 N 0.10 0.54 0.86 2.16 -1.24 -1.48 0.30 115.58 116.81 1xfr h ASN 30 Ca -0.04 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1xfr h ASN 30 Cb 1.47 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1xfr h ASN 30 CO 0.13 0.28 0.00 -0.62 -1.29 0.00 0.00 177.43 175.93 1xfr n GLU 31 N -4.52 0.08 0.00 6.67 1.02 -0.98 -1.46 120.64 121.45 1xfr n GLU 31 Ca 0.16 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1xfr n GLU 31 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1xfr n GLU 31 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xfr n ASP 32 N -1.77 0.00 -0.31 1.62 -0.08 -0.08 -3.88 116.55 112.06 1xfr n ASP 32 Ca 0.05 0.43 0.15 0.00 -1.51 0.00 0.00 54.79 53.91 1xfr n ASP 32 Cb 0.28 -0.39 0.32 0.00 2.34 0.00 0.00 41.12 43.66 1xfr n ASP 32 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1xfr h PHE 33 N 0.00 0.37 0.31 -0.67 0.04 -1.05 0.30 116.94 116.24 1xfr h PHE 33 Ca 0.00 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1xfr h PHE 33 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1xfr h PHE 33 CO 0.01 -0.25 -0.23 -0.92 -0.60 0.00 0.00 178.31 176.31 1xfr h TYR 34 N 0.18 -0.62 -0.46 -0.55 3.20 -1.49 -3.22 116.97 114.00 1xfr h TYR 34 Ca 0.59 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.46 1xfr h TYR 34 Cb 1.23 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.73 1xfr h TYR 34 CO -0.26 -0.35 0.00 0.09 -1.64 0.00 0.00 178.16 175.99 1xfr n ASN 35 N -5.36 2.75 -0.01 -2.11 3.02 0.59 -4.57 115.26 109.57 1xfr n ASN 35 Ca -0.09 -1.96 0.21 0.00 -0.03 0.00 0.00 54.58 52.71 1xfr n ASN 35 Cb 0.27 -0.31 0.71 0.00 -0.61 0.00 0.00 39.78 39.84 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 3.14 0.00 -0.54 3.10 3.57 -0.59 -0.15 116.94 125.47 1xfr h PHE 36 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1xfr h PHE 36 Cb 0.71 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.35 1xfr h PHE 36 CO 0.31 0.00 0.15 0.91 -2.23 0.00 0.00 178.31 177.44 1xfr n TRP 37 N -4.27 1.78 -0.99 0.41 5.03 -1.26 -4.92 117.44 113.22 1xfr n TRP 37 Ca 0.10 -1.26 -0.30 0.00 3.03 0.00 0.00 57.50 59.07 1xfr n TRP 37 Cb 0.65 -0.56 0.15 0.00 -1.03 0.00 0.00 31.31 30.51 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1xfr s LYS 38 N -3.04 1.24 0.00 -0.99 1.02 -0.07 -4.95 119.74 112.95 1xfr s LYS 38 Ca 0.49 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1xfr s LYS 38 Cb 0.41 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1xfr s LYS 38 CO 0.09 -2.35 0.62 -0.85 -0.92 0.00 0.00 175.35 171.94 1xfr n GLU 39 N -4.00 0.86 0.00 1.68 0.28 -1.26 -3.76 120.64 114.44 1xfr n GLU 39 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1xfr n GLU 39 Cb 0.53 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.14 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 0.29 0.00 3.70 -1.84 0.00 -1.26 -5.14 105.19 100.94 1xfr n GLY 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.05 0.21 1.61 6.14 -1.25 -5.04 117.35 122.07 1xfr s TYR 41 Ca 0.00 0.95 0.04 0.00 0.64 0.00 0.00 57.07 58.71 1xfr s TYR 41 Cb 0.00 -3.61 -0.03 0.00 0.42 0.00 0.00 41.96 38.74 1xfr s TYR 41 CO 0.00 -2.15 0.30 -1.21 0.64 0.00 0.00 175.55 173.13 1xfr s GLU 42 N 1.93 3.34 -0.21 4.97 8.01 -1.26 -4.98 118.70 130.49 1xfr s GLU 42 Ca 0.62 -0.75 -0.01 0.00 0.01 0.00 0.00 54.97 54.85 1xfr s GLU 42 Cb -0.31 -2.86 0.06 0.00 -4.31 0.00 0.00 34.13 26.71 1xfr s GLU 42 CO 0.27 0.46 -0.02 0.42 0.01 0.00 0.00 175.26 176.40 1xfr s ILE 43 N -1.91 1.14 0.00 -1.63 1.01 -1.26 -5.01 121.20 113.54 1xfr s ILE 43 Ca 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1xfr s ILE 43 Cb -0.10 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1xfr s ILE 43 CO 0.28 -0.12 0.00 0.29 0.00 0.00 0.00 174.94 175.39 1xfr n LYS 44 N 4.82 1.70 -2.52 2.79 4.76 -1.26 -4.99 118.16 123.46 1xfr n LYS 44 Ca -0.11 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.90 1xfr n LYS 44 Cb 0.45 -0.85 -0.02 0.00 -1.84 0.00 0.00 35.03 32.78 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 -1.57 6.57 0.64 4.39 -0.87 -1.26 -4.90 114.94 117.95 1xfr s ASN 45 Ca 0.00 0.64 0.37 0.00 -1.57 0.00 0.00 52.86 52.30 1xfr s ASN 45 Cb 0.00 -2.55 2.06 0.00 -0.02 0.00 0.00 41.25 40.74 1xfr s ASN 45 CO 0.00 -1.27 2.22 0.08 -2.57 0.00 0.00 177.10 175.56 1xfr h ARG 46 N 9.57 0.00 -0.49 -0.60 0.11 -1.94 -0.12 114.38 120.91 1xfr h ARG 46 Ca -0.24 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.91 1xfr h ARG 46 Cb 1.07 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 1xfr h ARG 46 CO 1.11 0.00 0.33 0.93 0.10 0.00 0.00 179.97 182.43 1xfr h GLU 47 N 0.00 0.36 -0.25 0.08 5.08 -1.91 -0.47 114.58 117.47 1xfr h GLU 47 Ca 0.02 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1xfr h GLU 47 Cb 0.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xfr h GLU 47 CO -0.00 0.24 -0.41 1.79 -1.00 0.00 0.00 179.01 179.62 1xfr h THR 48 N 0.37 1.30 -0.50 1.13 1.35 -1.39 -0.54 112.91 114.63 1xfr h THR 48 Ca 0.22 -1.61 0.10 0.00 -0.55 0.00 0.00 66.41 64.57 1xfr h THR 48 Cb 0.39 1.72 -0.10 0.00 -1.73 0.00 0.00 68.15 68.43 1xfr h THR 48 CO -0.05 0.51 -0.14 1.23 -0.25 0.00 0.00 175.52 176.82 1xfr h GLY 49 N 0.45 0.33 1.95 5.82 0.00 -1.40 0.18 103.07 110.41 1xfr h GLY 49 Ca 0.02 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1xfr h GLY 49 CO 0.09 -0.19 -0.54 0.00 0.00 0.00 0.00 176.54 175.90 1xfr h ALA 51 N 1.41 -0.29 -0.73 0.00 0.00 -0.11 -1.67 119.26 117.86 1xfr h ALA 51 Ca -0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1xfr h ALA 51 Cb 0.97 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1xfr h ALA 51 CO 0.07 -0.69 0.21 0.82 0.00 0.00 0.00 179.25 179.67 1xfr h ILE 52 N -0.33 0.56 -0.11 0.00 2.04 -0.68 0.24 117.51 119.23 1xfr h ILE 52 Ca 0.01 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xfr h ILE 52 Cb 0.33 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1xfr h ILE 52 CO -0.07 0.06 0.06 -0.03 0.00 0.00 0.00 178.15 178.17 1xfr h MET 53 N 0.32 0.15 0.39 2.37 4.05 -1.38 -0.72 114.93 120.11 1xfr h MET 53 Ca 0.41 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.81 1xfr h MET 53 Cb 0.68 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 1xfr h MET 53 CO -0.47 0.18 -0.38 0.00 0.23 0.00 0.00 176.91 176.47 1xfr h LEU 55 N -0.79 -0.09 -0.12 0.00 -0.00 -0.69 -0.73 115.31 112.89 1xfr h LEU 55 Ca -0.03 0.14 0.05 0.00 -0.00 0.00 0.00 57.88 58.04 1xfr h LEU 55 Cb 0.71 0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.53 1xfr h LEU 55 CO -0.06 -0.06 -0.23 0.28 -0.00 0.00 0.00 178.44 178.37 1xfr h SER 56 N 0.21 -0.72 -0.36 -0.43 0.02 -0.64 -1.82 113.55 109.82 1xfr h SER 56 Ca 0.37 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.51 1xfr h SER 56 Cb 0.61 0.32 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 1xfr h SER 56 CO -0.50 -0.28 -0.23 0.74 -1.14 0.00 0.00 176.83 175.41 1xfr h THR 57 N -0.30 0.37 0.00 -2.27 2.02 -0.35 0.36 112.91 112.74 1xfr h THR 57 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1xfr h THR 57 Cb 0.44 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1xfr h THR 57 CO -0.29 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.89 1xfr n LYS 58 N -5.39 0.16 -0.30 6.66 4.76 -0.36 -0.55 118.16 123.15 1xfr n LYS 58 Ca 0.01 0.55 0.09 0.00 -2.87 0.00 0.00 58.31 56.10 1xfr n LYS 58 Cb 0.30 -1.91 0.26 0.00 -1.84 0.00 0.00 35.03 31.83 1xfr n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xfr n LEU 59 N -2.23 3.56 -3.21 -0.35 4.77 -0.76 -4.95 117.00 113.82 1xfr n LEU 59 Ca -0.00 -2.00 -0.23 0.00 -0.03 0.00 0.00 56.01 53.74 1xfr n LEU 59 Cb 0.11 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1xfr n LEU 59 CO 0.13 0.89 0.05 -3.20 -1.33 0.00 0.00 177.39 173.93 1xfr n ASN 60 N 1.21 -5.88 -0.16 -1.43 5.15 0.29 -4.92 115.26 109.52 1xfr n ASN 60 Ca 0.20 -0.37 0.13 0.00 -0.60 0.00 0.00 54.58 53.93 1xfr n ASN 60 Cb 0.55 -4.73 0.37 0.00 -0.53 0.00 0.00 39.78 35.44 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 -4.23 0.58 -4.11 1.20 2.81 0.04 -4.79 117.12 108.62 1xfr n MET 61 Ca -0.07 -0.32 -0.35 0.00 -1.81 0.00 0.00 57.70 55.15 1xfr n MET 61 Cb 0.60 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.64 3.96 0.00 4.03 1.43 -1.25 -1.34 118.68 122.86 1xfr s LEU 62 Ca 0.21 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1xfr s LEU 62 Cb 0.19 -2.10 0.16 0.00 0.03 0.00 0.00 46.19 44.47 1xfr s LEU 62 CO 0.56 0.34 1.01 -0.90 0.23 0.00 0.00 176.35 177.59 1xfr n ASP 63 N 1.66 0.38 -1.75 2.29 5.75 -0.06 -4.74 116.55 120.08 1xfr n ASP 63 Ca -0.16 -1.55 -0.08 0.00 -0.01 0.00 0.00 54.79 52.99 1xfr n ASP 63 Cb 0.54 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1xfr n PRO 64 N -3.07 1.46 0.00 0.11 -0.04 -1.26 -2.86 135.00 129.34 1xfr n PRO 64 Ca 0.14 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1xfr n PRO 64 Cb 0.47 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfr n GLU 65 N 1.23 0.00 0.00 0.54 1.02 -1.26 -5.05 120.64 117.11 1xfr n GLU 65 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1xfr n GLU 65 Cb 0.58 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 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 -0.05 0.51 3.84 0.62 0.00 -1.13 -5.14 105.19 103.83 1xfr n GLY 66 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 4.75 0.05 1.61 0.01 -1.26 -4.65 114.94 115.31 1xfr s ASN 67 Ca 0.00 1.18 -0.32 0.00 -0.71 0.00 0.00 52.86 53.01 1xfr s ASN 67 Cb 0.00 -1.91 -0.11 0.00 0.41 0.00 0.00 41.25 39.64 1xfr s ASN 67 CO 0.00 -1.79 1.84 -0.11 -1.51 0.00 0.00 177.10 175.53 1xfr n LEU 68 N -3.30 3.78 -4.50 0.60 7.94 -1.26 -0.88 117.00 119.37 1xfr n LEU 68 Ca 0.07 0.98 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 1xfr n LEU 68 Cb 0.57 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 1xfr n LEU 68 CO 0.57 0.06 1.16 -2.28 -1.11 0.00 0.00 177.39 175.78 1xfr s HIS 69 N 3.18 2.72 0.43 1.96 5.65 -0.45 -4.75 115.29 124.03 1xfr s HIS 69 Ca 0.86 -0.89 0.21 0.00 0.25 0.00 0.00 55.06 55.49 1xfr s HIS 69 Cb -0.56 -4.49 1.17 0.00 -1.18 0.00 0.00 32.58 27.53 1xfr s HIS 69 CO 0.42 -1.76 1.82 0.45 -0.65 0.00 0.00 174.74 175.03 1xfr h HIS 70 N 9.46 0.49 0.00 3.88 -0.00 -1.91 0.06 115.15 127.13 1xfr h HIS 70 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1xfr h HIS 70 Cb 1.03 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1xfr h HIS 70 CO 1.17 0.09 0.00 0.41 -0.00 0.00 0.00 177.93 179.60 1xfr n GLY 71 N -1.54 -2.41 0.33 2.45 0.00 -1.26 -2.23 105.19 100.53 1xfr n GLY 71 Ca 0.22 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 0.36 -0.37 1.61 -0.73 -1.76 0.16 115.58 114.85 1xfr h ASN 72 Ca 0.00 0.18 0.08 0.00 1.87 0.00 0.00 56.30 58.43 1xfr h ASN 72 Cb 0.00 0.16 -0.07 0.00 0.27 0.00 0.00 38.32 38.68 1xfr h ASN 72 CO 0.00 -0.10 -0.11 0.00 -0.37 0.00 0.00 177.43 176.85 1xfr h ALA 73 N 1.80 0.21 -0.01 1.57 0.00 -1.03 0.82 119.26 122.62 1xfr h ALA 73 Ca 0.65 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.54 1xfr h ALA 73 Cb 1.37 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1xfr h ALA 73 CO -0.60 -0.48 -0.74 1.98 0.00 0.00 0.00 179.25 179.42 1xfr h MET 74 N -0.03 0.06 0.11 0.00 1.85 -0.45 -2.80 114.93 113.66 1xfr h MET 74 Ca 0.18 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1xfr h MET 74 Cb 0.31 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1xfr h MET 74 CO -0.40 0.77 -0.13 0.93 -0.40 0.00 0.00 176.91 177.69 1xfr h GLU 75 N 0.04 -0.26 -0.70 0.39 5.08 0.01 -1.02 114.58 118.12 1xfr h GLU 75 Ca -0.01 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1xfr h GLU 75 Cb 1.30 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.50 1xfr h GLU 75 CO 0.10 -0.17 0.12 0.35 -1.00 0.00 0.00 179.01 178.41 1xfr h PHE 76 N -0.27 0.18 0.49 4.33 3.04 -0.85 0.25 116.94 124.10 1xfr h PHE 76 Ca 0.01 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1xfr h PHE 76 Cb 0.27 0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1xfr h PHE 76 CO -0.13 -0.11 -0.23 0.00 -2.02 0.00 0.00 178.31 175.81 1xfr h ALA 77 N 1.60 -1.16 -0.89 2.41 0.00 -1.16 -1.74 119.26 118.31 1xfr h ALA 77 Ca 0.39 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1xfr h ALA 77 Cb 0.66 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1xfr h ALA 77 CO -0.52 -1.12 0.58 0.87 0.00 0.00 0.00 179.25 179.06 1xfr h LYS 78 N -0.66 0.90 0.24 0.00 6.56 -0.88 -0.05 116.57 122.67 1xfr h LYS 78 Ca -0.07 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.48 1xfr h LYS 78 Cb 0.50 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 31.92 1xfr h LYS 78 CO 0.11 0.60 -0.43 -0.22 -2.06 0.00 0.00 179.45 177.45 1xfr h LYS 79 N 0.93 -0.71 0.00 3.15 3.64 -0.48 -2.83 116.57 120.26 1xfr h LYS 79 Ca 0.41 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1xfr h LYS 79 Cb 0.34 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1xfr h LYS 79 CO -0.17 -0.47 0.00 0.72 -2.27 0.00 0.00 179.45 177.26 1xfr n HIS 80 N -5.48 0.00 0.00 1.91 8.25 -0.66 -4.79 115.22 114.44 1xfr n HIS 80 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1xfr n HIS 80 Cb 0.39 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 0.51 1.21 3.82 -1.41 0.00 -1.07 -4.80 105.19 103.46 1xfr n GLY 81 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 0.56 4.61 0.00 -0.09 -4.86 121.76 122.78 1xfr s ALA 82 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1xfr s ALA 82 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1xfr s ALA 82 CO 0.00 -0.82 0.88 -0.51 0.00 0.00 0.00 175.76 175.31 1xfr s ASP 83 N -3.23 5.91 0.05 0.00 1.01 -1.26 -4.24 116.67 114.91 1xfr s ASP 83 Ca 0.61 0.89 -0.34 0.00 0.71 0.00 0.00 52.55 54.41 1xfr s ASP 83 Cb -0.14 -2.00 -0.19 0.00 1.01 0.00 0.00 42.92 41.59 1xfr s ASP 83 CO 0.42 -0.87 1.48 -0.08 0.21 0.00 0.00 175.17 176.33 1xfr h GLU 84 N -0.05 -1.13 -0.04 8.23 4.22 -1.98 0.59 114.58 124.41 1xfr h GLU 84 Ca -0.46 0.08 -0.11 0.00 0.08 0.00 0.00 59.36 58.95 1xfr h GLU 84 Cb 1.23 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1xfr h GLU 84 CO 0.61 -0.75 -0.47 1.15 -2.18 0.00 0.00 179.01 177.38 1xfr h THR 85 N -1.25 1.34 0.54 0.32 2.02 -1.99 -1.15 112.91 112.74 1xfr h THR 85 Ca -0.12 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.42 1xfr h THR 85 Cb 0.91 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1xfr h THR 85 CO 0.20 0.47 -0.49 -0.03 0.37 0.00 0.00 175.52 176.04 1xfr h MET 86 N 0.08 -0.98 -0.28 6.66 1.85 -1.94 -1.04 114.93 119.26 1xfr h MET 86 Ca 0.00 0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1xfr h MET 86 Cb 0.86 0.22 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 1xfr h MET 86 CO 0.06 -0.66 0.09 0.00 -0.40 0.00 0.00 176.91 176.01 1xfr h ALA 87 N -0.86 1.63 -0.26 0.39 0.00 -0.40 -0.20 119.26 119.56 1xfr h ALA 87 Ca -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xfr h ALA 87 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xfr h ALA 87 CO -0.03 0.29 0.12 0.37 0.00 0.00 0.00 179.25 179.99 1xfr h GLN 88 N 0.40 0.38 -0.03 0.00 5.75 -1.11 -2.47 115.11 118.04 1xfr h GLN 88 Ca 0.10 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1xfr h GLN 88 Cb 0.12 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1xfr h GLN 88 CO -0.01 0.39 -0.53 1.96 -2.65 0.00 0.00 178.83 178.00 1xfr h GLN 89 N 0.28 -0.62 -0.61 1.69 4.20 0.29 0.27 115.11 120.62 1xfr h GLN 89 Ca 0.09 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.96 1xfr h GLN 89 Cb 0.14 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 1xfr h GLN 89 CO -0.01 -0.41 0.10 -0.07 -0.67 0.00 0.00 178.83 177.77 1xfr h LEU 90 N -0.64 -0.07 -0.55 1.46 -0.00 -1.19 0.31 115.31 114.62 1xfr h LEU 90 Ca 0.02 0.13 -0.13 0.00 -0.00 0.00 0.00 57.88 57.89 1xfr h LEU 90 Cb 0.70 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.53 1xfr h LEU 90 CO -0.37 -0.03 -0.23 0.40 -0.00 0.00 0.00 178.44 178.21 1xfr h ILE 91 N 0.22 1.27 -0.62 1.22 5.03 -1.16 -0.65 117.51 122.82 1xfr h ILE 91 Ca 0.33 -1.39 0.00 0.00 -0.12 0.00 0.00 64.86 63.68 1xfr h ILE 91 Cb 0.51 1.17 -0.03 0.00 -3.03 0.00 0.00 36.82 35.44 1xfr h ILE 91 CO -0.44 0.47 0.40 -0.78 -0.68 0.00 0.00 178.15 177.12 1xfr h ASP 92 N 0.79 0.72 -0.08 1.72 1.82 0.59 0.27 116.42 122.25 1xfr h ASP 92 Ca 0.10 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1xfr h ASP 92 Cb 0.79 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1xfr h ASP 92 CO 0.07 0.54 -0.12 0.40 -1.61 0.00 0.00 179.24 178.52 1xfr h ILE 93 N 0.84 1.39 0.93 2.25 2.04 -0.92 -0.50 117.51 123.52 1xfr h ILE 93 Ca 0.23 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1xfr h ILE 93 Cb -0.07 2.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1xfr h ILE 93 CO -0.05 0.38 -0.45 0.58 0.00 0.00 0.00 178.15 178.61 1xfr h VAL 94 N -0.23 0.00 -0.59 1.67 2.07 -0.96 0.36 116.25 118.57 1xfr h VAL 94 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1xfr h VAL 94 Cb 0.66 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1xfr h VAL 94 CO 0.03 0.00 0.40 -0.74 0.02 0.00 0.00 177.57 177.27 1xfr h HIS 95 N -1.25 0.44 0.22 1.57 6.17 -0.56 0.08 115.15 121.82 1xfr h HIS 95 Ca -0.13 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 60.95 1xfr h HIS 95 Cb 0.96 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.75 1xfr h HIS 95 CO 0.01 0.21 -0.11 0.78 0.71 0.00 0.00 177.93 179.54 1xfr h GLY 96 N 0.42 -0.31 -0.15 5.26 0.00 -0.85 -3.19 103.07 104.24 1xfr h GLY 96 Ca 0.27 0.12 0.27 0.00 0.00 0.00 0.00 47.33 47.99 1xfr h GLY 96 CO -0.07 -0.11 0.68 0.00 0.00 0.00 0.00 176.54 177.03 1xfr n GLU 98 N -4.61 0.07 0.00 0.00 1.02 -0.03 -0.62 120.64 116.48 1xfr n GLU 98 Ca 0.25 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1xfr n GLU 98 Cb 0.90 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1xfr n GLU 98 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xfr n LYS 99 N -1.89 0.00 -0.31 3.49 4.01 -0.10 -4.81 118.16 118.55 1xfr n LYS 99 Ca -0.01 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.91 1xfr n LYS 99 Cb 0.13 -0.80 0.35 0.00 -0.51 0.00 0.00 35.03 34.20 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 0.00 0.72 -2.92 4.39 0.02 -0.57 -3.38 113.55 111.82 1xfr h SER 100 Ca 0.00 0.06 -0.57 0.00 -0.84 0.00 0.00 61.79 60.44 1xfr h SER 100 Cb 0.90 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 1xfr h SER 100 CO 0.00 0.34 0.89 -0.89 -1.14 0.00 0.00 176.83 176.03 1xfr s THR 101 N -5.76 4.26 0.33 -2.27 2.01 0.21 -4.99 115.64 109.44 1xfr s THR 101 Ca -0.10 1.53 -0.24 0.00 0.31 0.00 0.00 61.69 63.19 1xfr s THR 101 Cb 0.23 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1xfr s THR 101 CO 0.80 -0.13 0.90 -2.16 -0.69 0.00 0.00 174.62 173.34 1xfr s PRO 102 N 3.42 4.44 0.18 4.92 0.04 -1.26 -4.89 135.00 141.83 1xfr s PRO 102 Ca 0.55 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1xfr s PRO 102 Cb -0.22 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.66 1xfr s PRO 102 CO 0.15 0.23 0.44 0.00 0.04 0.00 0.00 177.00 177.86 1xfr s ALA 103 N -1.73 -0.66 1.19 8.56 0.00 -1.26 -4.93 121.76 122.93 1xfr s ALA 103 Ca 0.52 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 1xfr s ALA 103 Cb -0.16 0.83 0.30 0.00 0.00 0.00 0.00 23.12 24.09 1xfr s ALA 103 CO 0.21 -0.74 1.02 0.54 0.00 0.00 0.00 175.76 176.79 1xfr s ASN 104 N -2.89 0.76 0.00 0.00 6.03 -1.26 -4.92 114.94 112.66 1xfr s ASN 104 Ca 0.11 1.48 0.00 0.00 -1.03 0.00 0.00 52.86 53.42 1xfr s ASN 104 Cb 0.01 -2.29 0.00 0.00 -3.03 0.00 0.00 41.25 35.93 1xfr s ASN 104 CO -0.03 -4.33 0.91 -0.67 -2.03 0.00 0.00 177.10 170.94 1xfr n ASP 105 N -5.00 0.00 -4.56 3.54 -0.08 -1.26 -4.51 116.55 104.68 1xfr n ASP 105 Ca 0.02 0.41 -0.27 0.00 -1.51 0.00 0.00 54.79 53.45 1xfr n ASP 105 Cb 0.54 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.54 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 -2.81 4.41 0.53 1.67 2.15 -1.26 -4.79 116.67 116.57 1xfr s ASP 106 Ca 0.00 0.38 0.25 0.00 0.43 0.00 0.00 52.55 53.61 1xfr s ASP 106 Cb 0.00 -2.53 1.40 0.00 -0.30 0.00 0.00 42.92 41.49 1xfr s ASP 106 CO 0.00 -3.19 2.00 0.11 -0.17 0.00 0.00 175.17 173.92 1xfr h LYS 107 N 15.38 0.00 0.66 4.34 1.79 -1.99 -0.25 116.57 136.50 1xfr h LYS 107 Ca -0.11 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1xfr h LYS 107 Cb 1.12 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1xfr h LYS 107 CO 1.12 0.00 -0.32 0.00 -1.08 0.00 0.00 179.45 179.17 1xfr h ILE 109 N -0.96 0.73 0.14 0.00 1.08 -1.42 -1.24 117.51 115.83 1xfr h ILE 109 Ca -0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1xfr h ILE 109 Cb 0.70 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1xfr h ILE 109 CO 0.15 0.00 -0.45 -0.25 -0.69 0.00 0.00 178.15 176.91 1xfr h TRP 110 N -0.04 -1.31 -0.38 1.37 7.01 -1.10 0.49 115.95 121.99 1xfr h TRP 110 Ca 0.11 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1xfr h TRP 110 Cb 0.20 0.55 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1xfr h TRP 110 CO -0.25 -0.52 0.10 1.15 -2.79 0.00 0.00 178.44 176.14 1xfr h THR 111 N -0.67 1.17 0.07 2.65 2.02 -0.87 0.19 112.91 117.47 1xfr h THR 111 Ca -0.01 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1xfr h THR 111 Cb 0.66 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1xfr h THR 111 CO -0.23 0.21 -0.12 0.25 0.37 0.00 0.00 175.52 176.01 1xfr h LEU 112 N 0.54 -0.32 -0.86 2.58 5.85 -1.04 -1.31 115.31 120.74 1xfr h LEU 112 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xfr h LEU 112 Cb 0.19 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1xfr h LEU 112 CO -0.01 -0.18 0.55 1.23 -0.34 0.00 0.00 178.44 179.70 1xfr h GLY 113 N -0.24 1.22 0.73 3.75 0.00 0.77 0.15 103.07 109.46 1xfr h GLY 113 Ca 0.02 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1xfr h GLY 113 CO -0.07 0.47 -0.10 -2.08 0.00 0.00 0.00 176.54 174.76 1xfr h VAL 114 N 1.17 0.74 -0.11 4.60 2.07 -0.93 -2.31 116.25 121.48 1xfr h VAL 114 Ca 0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 1xfr h VAL 114 Cb -0.10 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xfr h VAL 114 CO -0.06 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.50 1xfr h ALA 115 N 0.81 1.75 -0.07 1.67 0.00 -0.47 -1.89 119.26 121.07 1xfr h ALA 115 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xfr h ALA 115 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xfr h ALA 115 CO -0.11 0.19 -0.04 1.15 0.00 0.00 0.00 179.25 180.44 1xfr h THR 116 N 0.16 1.34 -0.41 0.00 2.02 -0.47 0.22 112.91 115.77 1xfr h THR 116 Ca 0.04 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 1xfr h THR 116 Cb 0.16 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1xfr h THR 116 CO 0.01 0.30 -0.09 0.00 0.37 0.00 0.00 175.52 176.11 1xfr h PHE 118 N 0.61 -0.74 -0.70 0.00 3.57 -1.35 -3.02 116.94 115.31 1xfr h PHE 118 Ca 0.10 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1xfr h PHE 118 Cb 0.62 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.52 1xfr h PHE 118 CO 0.05 -0.43 -0.53 -0.22 -2.23 0.00 0.00 178.31 174.95 1xfr h LYS 119 N -0.69 -0.18 -0.07 1.11 3.64 -0.56 0.24 116.57 120.07 1xfr h LYS 119 Ca -0.05 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xfr h LYS 119 Cb 0.57 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1xfr h LYS 119 CO 0.04 -0.12 0.19 0.00 -2.27 0.00 0.00 179.45 177.28 1xfr h ALA 120 N 0.41 1.39 -0.00 5.00 0.00 -1.39 -0.89 119.26 123.79 1xfr h ALA 120 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1xfr h ALA 120 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xfr h ALA 120 CO -0.77 -0.22 -0.52 1.05 0.00 0.00 0.00 179.25 178.79 1xfr h GLU 121 N 0.00 0.36 -0.77 0.00 -0.00 -0.83 -2.97 114.58 110.37 1xfr h GLU 121 Ca 0.03 -0.38 0.03 0.00 -0.00 0.00 0.00 59.36 59.04 1xfr h GLU 121 Cb 0.41 0.11 -0.04 0.00 -0.00 0.00 0.00 28.75 29.22 1xfr h GLU 121 CO -0.00 1.06 0.51 0.82 -0.00 0.00 0.00 179.01 181.40 1xfr h ILE 122 N -0.19 1.13 0.06 -1.06 1.08 -0.99 -0.86 117.51 116.68 1xfr h ILE 122 Ca -0.06 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1xfr h ILE 122 Cb 1.24 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1xfr h ILE 122 CO 0.10 0.18 -0.05 0.45 -0.69 0.00 0.00 178.15 178.14 1xfr h HIS 123 N 0.96 -0.12 -0.33 1.37 3.86 -1.52 -0.76 115.15 118.61 1xfr h HIS 123 Ca 0.30 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 1xfr h HIS 123 Cb 0.02 0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.45 1xfr h HIS 123 CO -0.00 -0.07 -0.34 0.87 0.86 0.00 0.00 177.93 179.25 1xfr h LYS 124 N -0.11 -0.29 0.00 2.45 6.56 -1.01 -1.57 116.57 122.60 1xfr h LYS 124 Ca -0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1xfr h LYS 124 Cb 0.10 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1xfr h LYS 124 CO -0.00 -0.19 0.00 1.28 -2.06 0.00 0.00 179.45 178.48 1xfr n LEU 125 N -5.42 0.00 -1.77 2.94 4.77 -0.83 -4.86 117.00 111.84 1xfr n LEU 125 Ca -0.00 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 1xfr n LEU 125 Cb 0.34 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1xfr n LEU 125 CO 0.09 -0.08 -0.19 -3.20 -1.33 0.00 0.00 177.39 172.68 1xfr n ASN 126 N -1.15 -4.83 -0.10 -1.43 5.15 -0.59 -4.86 115.26 107.44 1xfr n ASN 126 Ca 0.09 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1xfr n ASN 126 Cb 0.09 -4.25 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 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 -2.63 0.00 -1.09 1.20 8.01 -0.39 -4.74 117.44 117.80 1xfr n TRP 127 Ca -0.19 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 1xfr n TRP 127 Cb 0.61 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68