#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 0.12 0.08 1.43 4.20 -1.85 -3.35 115.11 115.74 1xfr h GLN 2 Ca 0.00 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1xfr h GLN 2 Cb 0.00 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 1xfr h GLN 2 CO 0.00 0.84 -0.52 1.49 -0.67 0.00 0.00 178.83 179.97 1xfr h GLU 3 N 0.03 -0.69 -0.44 1.46 4.81 -2.00 -0.88 114.58 116.88 1xfr h GLU 3 Ca -0.30 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1xfr h GLU 3 Cb 2.01 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.52 1xfr h GLU 3 CO 0.10 -0.46 0.22 -0.24 -0.73 0.00 0.00 179.01 177.90 1xfr h VAL 4 N -0.72 1.17 -0.96 0.32 3.04 -1.89 -3.00 116.25 114.22 1xfr h VAL 4 Ca 0.01 -0.47 0.20 0.00 -1.01 0.00 0.00 66.70 65.43 1xfr h VAL 4 Cb 0.74 0.68 -0.08 0.00 -2.01 0.00 0.00 31.29 30.62 1xfr h VAL 4 CO -0.31 0.18 0.61 -0.03 -1.01 0.00 0.00 177.57 177.02 1xfr h MET 5 N 0.57 0.53 0.02 4.17 4.05 -1.47 0.10 114.93 122.89 1xfr h MET 5 Ca 0.15 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1xfr h MET 5 Cb 0.09 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1xfr h MET 5 CO -0.02 0.35 -0.01 0.87 0.23 0.00 0.00 176.91 178.33 1xfr h LYS 6 N 0.54 -0.02 -0.99 0.39 1.57 -1.04 -2.23 116.57 114.78 1xfr h LYS 6 Ca 0.52 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.42 1xfr h LYS 6 Cb 1.10 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 1xfr h LYS 6 CO -0.26 0.08 0.63 -0.97 -0.57 0.00 0.00 179.45 178.36 1xfr h ASN 7 N -0.12 0.91 0.55 0.86 -1.24 -0.89 0.58 115.58 116.22 1xfr h ASN 7 Ca -0.00 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1xfr h ASN 7 Cb 0.11 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.03 1xfr h ASN 7 CO 0.00 0.49 -0.26 -0.07 -1.29 0.00 0.00 177.43 176.30 1xfr h LEU 8 N 0.98 -0.62 -1.68 0.34 4.07 -0.80 -0.05 115.31 117.55 1xfr h LEU 8 Ca 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.45 1xfr h LEU 8 Cb 0.48 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1xfr h LEU 8 CO -0.25 -0.43 0.12 -1.28 -1.08 0.00 0.00 178.44 175.52 1xfr h SER 9 N -0.76 0.29 0.31 -0.43 0.87 -0.81 0.56 113.55 113.58 1xfr h SER 9 Ca -0.07 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1xfr h SER 9 Cb 0.57 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1xfr h SER 9 CO 0.12 0.25 -0.15 0.25 -0.53 0.00 0.00 176.83 176.77 1xfr h LEU 10 N 0.34 -0.36 -0.33 2.23 5.85 -0.67 -1.88 115.31 120.49 1xfr h LEU 10 Ca 0.09 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1xfr h LEU 10 Cb 0.03 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1xfr h LEU 10 CO -0.01 0.03 -0.34 0.78 -0.34 0.00 0.00 178.44 178.55 1xfr h ASN 11 N -0.80 0.00 0.51 1.25 2.35 -0.76 -2.64 115.58 115.49 1xfr h ASN 11 Ca -0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1xfr h ASN 11 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1xfr h ASN 11 CO 0.07 0.34 -0.35 0.15 -1.65 0.00 0.00 177.43 175.99 1xfr h PHE 12 N 0.00 -0.94 0.00 1.19 3.57 -0.91 -3.17 116.94 116.68 1xfr h PHE 12 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xfr h PHE 12 Cb 1.14 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1xfr h PHE 12 CO 0.00 -0.53 0.00 0.41 -2.23 0.00 0.00 178.31 175.96 1xfr n GLY 13 N -1.48 2.08 0.02 2.40 0.00 -0.71 -4.11 105.19 103.39 1xfr n GLY 13 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.06 0.00 -0.22 1.61 1.79 -1.55 -3.39 116.57 115.86 1xfr h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xfr h LYS 14 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1xfr h LYS 14 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1xfr n ALA 15 N -2.34 1.87 -0.12 3.86 0.00 -1.26 -4.15 120.51 118.39 1xfr n ALA 15 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1xfr n ALA 15 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.23 0.44 -1.09 0.00 5.85 -1.85 -2.47 115.31 116.42 1xfr h LEU 16 Ca 0.00 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1xfr h LEU 16 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1xfr h LEU 16 CO 0.00 0.38 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.24 1xfr h ASP 17 N 0.47 0.00 0.92 1.25 3.58 -1.92 0.11 116.42 120.84 1xfr h ASP 17 Ca 0.13 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1xfr h ASP 17 Cb 0.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1xfr h ASP 17 CO -0.02 0.46 -0.44 -0.33 -2.88 0.00 0.00 179.24 176.02 1xfr h GLU 18 N 0.00 -1.19 -0.96 0.28 4.39 -1.84 -2.53 114.58 112.73 1xfr h GLU 18 Ca -0.00 0.08 0.17 0.00 0.34 0.00 0.00 59.36 59.95 1xfr h GLU 18 Cb 0.81 0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 1xfr h GLU 18 CO 0.06 -0.79 0.61 0.00 -1.16 0.00 0.00 179.01 177.73 1xfr h LYS 20 N 0.70 -0.70 -0.77 0.00 1.57 -0.72 -0.44 116.57 116.20 1xfr h LYS 20 Ca 0.52 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.30 1xfr h LYS 20 Cb 0.88 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1xfr h LYS 20 CO -0.28 -0.47 0.32 -0.22 -0.57 0.00 0.00 179.45 178.23 1xfr h LYS 21 N -0.73 1.15 0.13 3.15 3.11 -0.91 -0.34 116.57 122.13 1xfr h LYS 21 Ca -0.04 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1xfr h LYS 21 Cb 0.62 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1xfr h LYS 21 CO 0.01 0.93 -0.08 0.93 -2.81 0.00 0.00 179.45 178.43 1xfr h GLU 22 N 1.11 -0.20 -0.12 1.90 5.08 -0.75 -3.33 114.58 118.28 1xfr h GLU 22 Ca 0.26 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1xfr h GLU 22 Cb 0.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xfr h GLU 22 CO -0.02 -0.13 0.00 -1.33 -1.00 0.00 0.00 179.01 176.53 1xfr n MET 23 N -5.19 1.41 -3.20 2.33 2.81 -0.19 -5.00 117.12 110.10 1xfr n MET 23 Ca -0.08 -1.55 -0.18 0.00 -1.81 0.00 0.00 57.70 54.08 1xfr n MET 23 Cb 0.11 -1.29 0.02 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.80 -7.88 -4.73 2.03 -1.04 -0.25 -5.04 114.28 98.18 1xfr n THR 24 Ca 0.10 0.36 -0.33 0.00 -2.04 0.00 0.00 64.05 62.13 1xfr n THR 24 Cb 0.38 -5.60 -0.13 0.00 -1.82 0.00 0.00 70.33 63.17 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 -3.07 2.92 0.93 -4.42 1.43 -0.55 -5.04 118.68 110.87 1xfr s LEU 25 Ca 0.22 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 1xfr s LEU 25 Cb -0.04 -1.63 0.15 0.00 0.03 0.00 0.00 46.19 44.69 1xfr s LEU 25 CO 0.81 0.29 1.12 0.42 0.23 0.00 0.00 176.35 179.22 1xfr s THR 26 N -0.36 2.08 -0.11 5.49 -4.23 -1.26 -4.79 115.64 112.46 1xfr s THR 26 Ca 0.04 0.03 0.29 0.00 -1.18 0.00 0.00 61.69 60.88 1xfr s THR 26 Cb -0.12 -2.71 0.32 0.00 1.34 0.00 0.00 72.50 71.32 1xfr s THR 26 CO 0.02 -0.04 1.88 0.44 -0.54 0.00 0.00 174.62 176.39 1xfr h ASP 27 N -1.57 0.00 0.34 3.99 5.19 -2.01 -3.25 116.42 119.11 1xfr h ASP 27 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1xfr h ASP 27 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1xfr h ASP 27 CO 0.61 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.73 1xfr n ALA 28 N -1.92 1.44 0.14 3.45 0.00 -1.26 -1.18 120.51 121.17 1xfr n ALA 28 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1xfr n ALA 28 Cb 0.22 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 0.73 -0.94 0.00 3.07 -1.96 -3.12 117.51 115.29 1xfr h ILE 29 Ca 0.00 -2.05 0.08 0.00 1.55 0.00 0.00 64.86 64.44 1xfr h ILE 29 Cb 0.17 2.35 -0.07 0.00 -0.27 0.00 0.00 36.82 39.00 1xfr h ILE 29 CO 0.00 0.42 0.59 0.78 -1.05 0.00 0.00 178.15 178.89 1xfr h ASN 30 N 0.00 0.92 0.66 2.16 2.35 -1.41 -1.67 115.58 118.58 1xfr h ASN 30 Ca -0.01 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1xfr h ASN 30 Cb 1.34 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1xfr h ASN 30 CO 0.06 0.56 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.74 1xfr h GLU 31 N 1.03 -0.86 -0.25 0.81 3.07 -1.67 0.09 114.58 116.79 1xfr h GLU 31 Ca 0.43 0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.40 1xfr h GLU 31 Cb 0.26 0.20 -0.08 0.00 -0.84 0.00 0.00 28.75 28.29 1xfr h GLU 31 CO -0.20 -0.58 -0.40 0.22 -1.40 0.00 0.00 179.01 176.65 1xfr h ASP 32 N -0.90 -1.30 0.06 1.42 1.82 -1.52 0.21 116.42 116.21 1xfr h ASP 32 Ca -0.09 0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1xfr h ASP 32 Cb 0.69 0.55 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 1xfr h ASP 32 CO 0.14 -0.39 -0.03 -0.26 -1.61 0.00 0.00 179.24 177.09 1xfr h PHE 33 N -0.40 0.00 0.15 0.28 0.04 -1.16 0.57 116.94 116.42 1xfr h PHE 33 Ca 0.11 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.65 1xfr h PHE 33 Cb 0.59 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.76 1xfr h PHE 33 CO -0.53 0.03 -1.03 -0.92 -0.60 0.00 0.00 178.31 175.26 1xfr h TYR 34 N 0.00 0.59 -0.18 -0.55 3.20 0.43 -3.37 116.97 117.08 1xfr h TYR 34 Ca -0.00 -0.43 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1xfr h TYR 34 Cb 0.07 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1xfr h TYR 34 CO 0.00 1.40 0.00 0.27 -1.64 0.00 0.00 178.16 178.19 1xfr n ASN 35 N -4.03 2.55 -0.32 -2.11 0.23 0.59 -4.56 115.26 107.62 1xfr n ASN 35 Ca -0.17 -1.84 0.15 0.00 -0.53 0.00 0.00 54.58 52.19 1xfr n ASN 35 Cb 0.88 -0.11 0.34 0.00 -2.08 0.00 0.00 39.78 38.81 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1xfr h PHE 36 N 3.58 0.80 -0.86 -2.53 3.57 -0.04 -1.26 116.94 120.21 1xfr h PHE 36 Ca 0.00 0.04 -0.44 0.00 3.53 0.00 0.00 57.97 61.10 1xfr h PHE 36 Cb 0.78 -0.21 -0.16 0.00 2.79 0.00 0.00 35.95 39.15 1xfr h PHE 36 CO 0.11 -0.00 0.37 0.91 -2.23 0.00 0.00 178.31 177.47 1xfr n TRP 37 N -4.98 1.53 -3.15 0.41 7.02 -1.26 -4.90 117.44 112.10 1xfr n TRP 37 Ca 0.24 -1.94 -0.20 0.00 -1.02 0.00 0.00 57.50 54.58 1xfr n TRP 37 Cb 0.70 -1.28 0.01 0.00 -2.42 0.00 0.00 31.31 28.32 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1xfr s LYS 38 N -1.64 2.96 -0.24 -0.99 3.01 -0.48 -5.04 119.74 117.33 1xfr s LYS 38 Ca 0.52 -0.92 0.08 0.00 -1.01 0.00 0.00 55.97 54.64 1xfr s LYS 38 Cb 0.34 -2.71 0.57 0.00 -1.01 0.00 0.00 37.83 35.03 1xfr s LYS 38 CO -0.15 -0.19 1.53 -0.85 0.51 0.00 0.00 175.35 176.20 1xfr n GLU 39 N -1.88 3.19 0.00 1.68 0.28 -1.26 -4.13 120.64 118.53 1xfr n GLU 39 Ca 0.03 -2.32 0.00 0.00 -0.16 0.00 0.00 57.16 54.71 1xfr n GLU 39 Cb 0.58 -2.01 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 0.02 0.00 3.83 -1.84 0.00 -1.26 -5.14 105.19 100.80 1xfr n GLY 40 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 3.71 -0.03 1.61 6.14 -1.26 -5.09 117.35 122.43 1xfr s TYR 41 Ca 0.00 1.08 0.05 0.00 0.64 0.00 0.00 57.07 58.84 1xfr s TYR 41 Cb 0.00 -2.36 -0.01 0.00 0.42 0.00 0.00 41.96 40.01 1xfr s TYR 41 CO 0.00 0.56 -0.17 -2.00 0.64 0.00 0.00 175.55 174.58 1xfr s GLU 42 N -1.40 1.59 -0.48 4.97 2.12 -1.26 -4.99 118.70 119.25 1xfr s GLU 42 Ca 0.30 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.88 1xfr s GLU 42 Cb -0.17 -1.44 0.08 0.00 0.26 0.00 0.00 34.13 32.86 1xfr s GLU 42 CO 0.17 0.30 0.40 0.42 -0.54 0.00 0.00 175.26 176.01 1xfr s ILE 43 N -0.16 5.10 0.00 -3.70 1.01 -1.26 -4.90 121.20 117.29 1xfr s ILE 43 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1xfr s ILE 43 Cb -0.09 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1xfr s ILE 43 CO 0.01 -0.62 0.15 0.29 0.00 0.00 0.00 174.94 174.77 1xfr n LYS 44 N 5.17 3.06 -2.33 2.79 4.76 -1.26 -4.94 118.16 125.41 1xfr n LYS 44 Ca -0.12 -0.15 -0.42 0.00 -2.87 0.00 0.00 58.31 54.74 1xfr n LYS 44 Cb 0.43 -0.58 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1xfr s ASN 45 N -0.48 6.20 0.56 4.39 3.84 -1.26 -4.87 114.94 123.32 1xfr s ASN 45 Ca 0.00 0.66 0.29 0.00 0.21 0.00 0.00 52.86 54.02 1xfr s ASN 45 Cb 0.00 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.63 1xfr s ASN 45 CO 0.00 -1.57 1.93 -0.09 -2.79 0.00 0.00 177.10 174.57 1xfr h ARG 46 N 11.10 0.00 0.00 0.43 2.43 -1.95 -0.82 114.38 125.58 1xfr h ARG 46 Ca -0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1xfr h ARG 46 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1xfr h ARG 46 CO 1.12 0.00 -0.18 0.93 -1.51 0.00 0.00 179.97 180.33 1xfr h GLU 47 N 0.00 0.00 -0.35 0.20 5.08 -1.93 -2.33 114.58 115.26 1xfr h GLU 47 Ca 0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 1xfr h GLU 47 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1xfr h GLU 47 CO -0.00 0.18 -0.34 1.79 -1.00 0.00 0.00 179.01 179.64 1xfr h THR 48 N 0.00 1.28 -0.46 1.13 1.35 -1.53 0.46 112.91 115.14 1xfr h THR 48 Ca -0.00 -1.51 0.08 0.00 -0.55 0.00 0.00 66.41 64.42 1xfr h THR 48 Cb 0.44 1.46 -0.10 0.00 -1.73 0.00 0.00 68.15 68.23 1xfr h THR 48 CO 0.02 0.50 -0.42 1.23 -0.25 0.00 0.00 175.52 176.60 1xfr h GLY 49 N 0.63 -0.49 1.56 5.82 0.00 -1.54 0.12 103.07 109.17 1xfr h GLY 49 Ca 0.06 0.54 -0.13 0.00 0.00 0.00 0.00 47.33 47.80 1xfr h GLY 49 CO 0.08 -0.18 -0.40 0.00 0.00 0.00 0.00 176.54 176.04 1xfr h ALA 51 N 1.17 0.15 -0.16 0.00 0.00 -0.32 -0.27 119.26 119.84 1xfr h ALA 51 Ca 0.04 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xfr h ALA 51 Cb 0.88 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1xfr h ALA 51 CO 0.07 -0.39 -0.24 0.82 0.00 0.00 0.00 179.25 179.52 1xfr h ILE 52 N 0.13 0.42 -0.94 0.00 2.04 -0.92 -0.12 117.51 118.11 1xfr h ILE 52 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1xfr h ILE 52 Cb 0.02 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1xfr h ILE 52 CO -0.04 0.00 0.61 -0.03 0.00 0.00 0.00 178.15 178.69 1xfr h MET 53 N -0.29 1.15 -0.31 2.37 4.05 -0.95 0.11 114.93 121.07 1xfr h MET 53 Ca 0.11 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1xfr h MET 53 Cb 0.45 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1xfr h MET 53 CO -0.32 0.76 0.13 0.00 0.23 0.00 0.00 176.91 177.70 1xfr h LEU 55 N 0.35 -0.10 -0.50 0.00 3.38 -0.23 0.04 115.31 118.25 1xfr h LEU 55 Ca 0.10 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1xfr h LEU 55 Cb 0.18 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1xfr h LEU 55 CO -0.01 -0.04 -0.10 0.28 0.09 0.00 0.00 178.44 178.66 1xfr h SER 56 N -0.02 -0.41 -0.15 -0.43 0.02 -0.64 0.15 113.55 112.06 1xfr h SER 56 Ca 0.04 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1xfr h SER 56 Cb 0.08 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1xfr h SER 56 CO -0.09 -0.15 -0.22 0.74 -1.14 0.00 0.00 176.83 175.97 1xfr h THR 57 N 0.02 0.45 0.00 -2.27 2.02 -0.89 -0.31 112.91 111.93 1xfr h THR 57 Ca 0.24 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 1xfr h THR 57 Cb 0.37 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1xfr h THR 57 CO -0.49 0.00 -0.25 0.11 0.37 0.00 0.00 175.52 175.25 1xfr h LYS 58 N -0.27 0.00 -0.18 6.66 1.79 1.00 0.51 116.57 126.08 1xfr h LYS 58 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1xfr h LYS 58 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1xfr h LYS 58 CO -0.31 0.25 0.00 1.28 -1.08 0.00 0.00 179.45 179.59 1xfr n LEU 59 N -4.19 1.54 -1.90 2.94 4.77 0.32 -4.94 117.00 115.53 1xfr n LEU 59 Ca -0.02 -0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 55.17 1xfr n LEU 59 Cb 0.31 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1xfr n LEU 59 CO 0.37 0.33 0.07 -3.20 -1.33 0.00 0.00 177.39 173.64 1xfr n ASN 60 N 0.25 -4.09 -1.30 -1.43 5.15 0.17 -4.95 115.26 109.06 1xfr n ASN 60 Ca 0.15 -0.22 0.05 0.00 -0.60 0.00 0.00 54.58 53.96 1xfr n ASN 60 Cb 0.30 -2.80 0.26 0.00 -0.53 0.00 0.00 39.78 37.00 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 -2.64 3.25 -4.12 1.20 2.81 -0.20 -4.79 117.12 112.64 1xfr n MET 61 Ca -0.02 -2.00 -0.33 0.00 -1.81 0.00 0.00 57.70 53.54 1xfr n MET 61 Cb 0.54 -1.87 -0.16 0.00 -0.71 0.00 0.00 33.22 31.02 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 -1.63 2.16 1.17 4.03 1.43 -1.26 -0.37 118.68 124.21 1xfr s LEU 62 Ca 0.35 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1xfr s LEU 62 Cb 0.25 -1.49 0.27 0.00 0.03 0.00 0.00 46.19 45.25 1xfr s LEU 62 CO 0.13 0.00 1.06 1.51 0.23 0.00 0.00 176.35 179.28 1xfr s ASP 63 N 1.29 1.11 0.02 2.29 -4.77 -1.26 -4.64 116.67 110.71 1xfr s ASP 63 Ca 0.05 0.96 0.07 0.00 -3.30 0.00 0.00 52.55 50.33 1xfr s ASP 63 Cb -0.13 -1.44 0.31 0.00 -1.09 0.00 0.00 42.92 40.57 1xfr s ASP 63 CO -0.12 -4.04 1.22 -0.81 0.70 0.00 0.00 175.17 172.12 1xfr n PRO 64 N -4.75 0.01 -0.02 2.11 -0.04 -1.26 -2.94 135.00 128.11 1xfr n PRO 64 Ca 0.09 0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 63.95 1xfr n PRO 64 Cb 0.58 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.56 0.65 -1.86 0.54 -0.58 -1.26 -4.98 120.64 111.61 1xfr n GLU 65 Ca 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1xfr n GLU 65 Cb 0.07 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.31 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 1.48 0.35 0.93 0.62 0.00 -1.15 -4.98 105.19 102.44 1xfr n GLY 66 Ca -0.16 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 1.78 2.33 -1.75 1.61 3.02 -1.26 -4.99 115.26 116.00 1xfr n ASN 67 Ca -0.01 -3.86 0.00 0.00 -0.03 0.00 0.00 54.58 50.67 1xfr n ASN 67 Cb 0.43 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xfr n LEU 68 N -1.08 -5.58 -4.30 3.41 0.00 -1.26 -4.75 117.00 103.44 1xfr n LEU 68 Ca 0.26 2.79 -0.36 0.00 0.00 0.00 0.00 56.01 58.69 1xfr n LEU 68 Cb 0.81 -2.73 -0.04 0.00 0.00 0.00 0.00 43.42 41.46 1xfr n LEU 68 CO 0.08 -1.18 1.87 1.57 0.00 0.00 0.00 177.39 179.73 1xfr n HIS 69 N 1.20 3.14 -0.10 1.96 -0.00 0.50 -4.53 115.22 117.40 1xfr n HIS 69 Ca 0.00 -2.04 0.13 0.00 -0.00 0.00 0.00 57.72 55.81 1xfr n HIS 69 Cb 0.00 -2.44 0.51 0.00 -0.00 0.00 0.00 29.99 28.06 1xfr n HIS 69 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xfr h HIS 70 N 8.41 0.43 -0.19 1.57 -0.00 -1.85 0.10 115.15 123.63 1xfr h HIS 70 Ca 0.35 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.77 1xfr h HIS 70 Cb 0.84 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 28.05 1xfr h HIS 70 CO 1.30 0.20 -0.48 0.78 -0.00 0.00 0.00 177.93 179.73 1xfr h GLY 71 N 0.40 -1.15 1.90 2.45 0.00 -1.97 -1.63 103.07 103.06 1xfr h GLY 71 Ca 0.30 0.70 -0.17 0.00 0.00 0.00 0.00 47.33 48.16 1xfr h GLY 71 CO -0.08 -0.24 -0.77 -0.57 0.00 0.00 0.00 176.54 174.89 1xfr h ASN 72 N -0.46 0.12 -0.92 0.19 -1.24 -1.39 -2.69 115.58 109.19 1xfr h ASN 72 Ca 0.04 -0.09 0.14 0.00 0.71 0.00 0.00 56.30 57.10 1xfr h ASN 72 Cb 0.57 -0.04 -0.09 0.00 0.73 0.00 0.00 38.32 39.49 1xfr h ASN 72 CO -0.42 0.84 0.53 0.00 -1.29 0.00 0.00 177.43 177.09 1xfr h ALA 73 N 1.16 1.40 -0.42 1.57 0.00 -0.85 -0.52 119.26 121.60 1xfr h ALA 73 Ca -0.02 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1xfr h ALA 73 Cb 1.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xfr h ALA 73 CO 0.11 0.04 -0.33 1.98 0.00 0.00 0.00 179.25 181.05 1xfr h MET 74 N 0.79 0.96 -0.49 0.00 1.85 -0.98 -2.67 114.93 114.39 1xfr h MET 74 Ca 0.48 -0.48 0.06 0.00 -0.61 0.00 0.00 59.70 59.16 1xfr h MET 74 Cb 0.60 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.58 1xfr h MET 74 CO -0.32 1.14 0.21 0.93 -0.40 0.00 0.00 176.91 178.47 1xfr h GLU 75 N 0.80 0.40 -0.78 0.39 5.08 -1.12 -1.91 114.58 117.43 1xfr h GLU 75 Ca 0.08 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1xfr h GLU 75 Cb 0.92 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 1xfr h GLU 75 CO 0.09 0.26 0.44 0.35 -1.00 0.00 0.00 179.01 179.15 1xfr h PHE 76 N 0.41 0.79 0.81 4.33 3.57 -0.90 0.31 116.94 126.27 1xfr h PHE 76 Ca 0.23 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1xfr h PHE 76 Cb 0.20 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.71 1xfr h PHE 76 CO -0.13 0.33 -0.39 0.00 -2.23 0.00 0.00 178.31 175.89 1xfr h ALA 77 N 1.43 -1.16 -0.45 2.41 0.00 -1.10 -2.22 119.26 118.18 1xfr h ALA 77 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xfr h ALA 77 Cb 0.33 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1xfr h ALA 77 CO -0.24 -1.08 0.23 0.87 0.00 0.00 0.00 179.25 179.03 1xfr h LYS 78 N -1.21 0.62 -0.75 0.00 6.56 -1.03 -0.36 116.57 120.39 1xfr h LYS 78 Ca -0.11 -0.06 0.08 0.00 -1.06 0.00 0.00 60.65 59.50 1xfr h LYS 78 Cb 0.83 -0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.32 1xfr h LYS 78 CO 0.18 0.47 0.49 -0.22 -2.06 0.00 0.00 179.45 178.31 1xfr h LYS 79 N 0.62 0.70 -0.01 3.15 3.64 -0.34 -1.56 116.57 122.77 1xfr h LYS 79 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xfr h LYS 79 Cb 0.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xfr h LYS 79 CO -0.02 0.46 -0.26 0.72 -2.27 0.00 0.00 179.45 178.07 1xfr n HIS 80 N -4.49 0.00 0.00 1.91 8.25 -0.60 -4.94 115.22 115.35 1xfr n HIS 80 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1xfr n HIS 80 Cb 0.29 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 1.35 1.00 3.76 -1.41 0.00 -0.59 -4.86 105.19 104.44 1xfr n GLY 81 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 2.56 0.98 4.61 0.00 -0.25 -4.94 121.76 122.72 1xfr s ALA 82 Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1xfr s ALA 82 Cb 0.00 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 19.85 1xfr s ALA 82 CO 0.00 -1.13 1.09 -0.51 0.00 0.00 0.00 175.76 175.21 1xfr s ASP 83 N -1.62 2.76 -0.02 0.00 1.01 -1.26 -4.48 116.67 113.06 1xfr s ASP 83 Ca 0.77 1.32 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 1xfr s ASP 83 Cb -0.30 -2.00 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 1xfr s ASP 83 CO 0.32 -3.06 0.73 -0.08 0.21 0.00 0.00 175.17 173.29 1xfr h GLU 84 N -1.84 -0.56 -0.00 8.23 4.22 -1.98 0.06 114.58 122.69 1xfr h GLU 84 Ca -0.53 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 58.92 1xfr h GLU 84 Cb 1.31 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 1xfr h GLU 84 CO 0.56 -0.38 -0.11 1.15 -2.18 0.00 0.00 179.01 178.06 1xfr h THR 85 N -1.03 1.08 0.38 0.32 2.02 -1.98 0.73 112.91 114.42 1xfr h THR 85 Ca -0.06 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1xfr h THR 85 Cb 0.45 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1xfr h THR 85 CO 0.10 0.10 -0.18 -0.03 0.37 0.00 0.00 175.52 175.88 1xfr h MET 86 N 0.00 -0.49 -0.86 6.66 1.85 -1.95 0.12 114.93 120.27 1xfr h MET 86 Ca -0.00 0.03 0.18 0.00 -0.61 0.00 0.00 59.70 59.31 1xfr h MET 86 Cb 0.19 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.27 1xfr h MET 86 CO 0.01 -0.33 0.57 0.00 -0.40 0.00 0.00 176.91 176.76 1xfr h ALA 87 N -1.76 2.16 -0.08 0.39 0.00 -0.17 0.82 119.26 120.62 1xfr h ALA 87 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xfr h ALA 87 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 87 CO 0.09 -0.42 0.02 0.37 0.00 0.00 0.00 179.25 179.31 1xfr h GLN 88 N 0.42 0.13 -0.27 0.00 -0.00 -0.84 -2.78 115.11 111.78 1xfr h GLN 88 Ca 0.44 -0.03 0.06 0.00 -0.00 0.00 0.00 58.65 59.12 1xfr h GLN 88 Cb 1.05 -0.02 -0.08 0.00 0.00 0.00 0.00 27.48 28.44 1xfr h GLN 88 CO -0.16 0.33 -0.29 1.96 0.00 0.00 0.00 178.83 180.67 1xfr h GLN 89 N -0.10 -0.28 -0.99 1.69 1.08 0.16 0.28 115.11 116.95 1xfr h GLN 89 Ca 0.02 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1xfr h GLN 89 Cb 0.26 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 1xfr h GLN 89 CO 0.00 -0.19 0.64 -0.07 -0.95 0.00 0.00 178.83 178.26 1xfr h LEU 90 N -0.29 1.01 -0.12 1.46 -0.00 -1.23 -0.52 115.31 115.63 1xfr h LEU 90 Ca 0.14 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1xfr h LEU 90 Cb 0.51 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1xfr h LEU 90 CO -0.43 0.63 -0.08 0.40 -0.00 0.00 0.00 178.44 178.96 1xfr h ILE 91 N 1.14 1.33 -0.61 1.22 5.03 -1.04 -1.63 117.51 122.96 1xfr h ILE 91 Ca 0.44 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1xfr h ILE 91 Cb 0.20 1.84 -0.03 0.00 -3.03 0.00 0.00 36.82 35.80 1xfr h ILE 91 CO -0.18 0.34 0.38 -0.78 -0.68 0.00 0.00 178.15 177.22 1xfr h ASP 92 N -0.09 0.71 -0.05 1.72 3.58 0.29 0.41 116.42 123.00 1xfr h ASP 92 Ca 0.02 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1xfr h ASP 92 Cb 0.57 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1xfr h ASP 92 CO 0.02 0.54 -0.17 0.40 -2.88 0.00 0.00 179.24 177.16 1xfr h ILE 93 N 0.83 1.46 0.52 2.25 2.04 -1.18 -0.83 117.51 122.60 1xfr h ILE 93 Ca 0.22 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1xfr h ILE 93 Cb -0.05 2.38 0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1xfr h ILE 93 CO -0.04 0.44 -0.25 0.58 0.00 0.00 0.00 178.15 178.88 1xfr h VAL 94 N -0.35 0.41 -0.97 1.67 2.07 -0.50 -1.36 116.25 117.21 1xfr h VAL 94 Ca -0.01 -0.33 0.19 0.00 0.82 0.00 0.00 66.70 67.36 1xfr h VAL 94 Cb 0.80 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 1xfr h VAL 94 CO 0.03 0.05 0.56 -0.74 0.02 0.00 0.00 177.57 177.50 1xfr h HIS 95 N -0.92 0.99 0.00 1.57 6.17 -0.35 0.19 115.15 122.79 1xfr h HIS 95 Ca -0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1xfr h HIS 95 Cb 0.61 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1xfr h HIS 95 CO 0.00 0.20 0.00 0.41 0.71 0.00 0.00 177.93 179.25 1xfr n GLY 96 N -1.33 -0.84 0.00 5.26 0.00 -0.32 -3.29 105.19 104.67 1xfr n GLY 96 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 4.39 -1.01 -0.48 114.58 117.48 1xfr h GLU 98 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xfr h GLU 98 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1xfr h GLU 98 CO 0.00 0.00 -0.85 1.63 -1.16 0.00 0.00 179.01 178.63 1xfr n LYS 99 N -3.06 0.00 -0.20 2.33 4.01 -1.26 -4.79 118.16 115.19 1xfr n LYS 99 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1xfr n LYS 99 Cb 0.51 -0.61 0.11 0.00 -0.51 0.00 0.00 35.03 34.53 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 0.14 -2.70 4.39 0.02 -1.75 -3.38 113.55 110.28 1xfr h SER 100 Ca 0.00 0.09 -0.56 0.00 -0.84 0.00 0.00 61.79 60.48 1xfr h SER 100 Cb 0.85 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1xfr h SER 100 CO 0.00 0.09 1.15 -0.89 -1.14 0.00 0.00 176.83 176.04 1xfr s THR 101 N -6.10 3.62 0.61 -2.27 2.01 -0.20 -4.99 115.64 108.33 1xfr s THR 101 Ca -0.13 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 1xfr s THR 101 Cb 0.17 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1xfr s THR 101 CO 0.74 -0.26 1.07 -2.16 -0.69 0.00 0.00 174.62 173.33 1xfr s PRO 102 N 4.74 3.19 0.29 4.92 0.04 -1.26 -4.88 135.00 142.03 1xfr s PRO 102 Ca 0.74 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 1xfr s PRO 102 Cb -0.26 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1xfr s PRO 102 CO 0.30 -0.92 0.73 0.00 0.04 0.00 0.00 177.00 177.16 1xfr s ALA 103 N -2.44 -1.18 1.04 8.56 0.00 -1.26 -4.85 121.76 121.63 1xfr s ALA 103 Ca 0.64 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1xfr s ALA 103 Cb -0.17 0.83 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1xfr s ALA 103 CO 0.38 -1.03 0.22 0.09 0.00 0.00 0.00 175.76 175.42 1xfr n ASN 104 N -0.56 -1.12 0.20 0.00 3.02 -1.26 -4.88 115.26 110.66 1xfr n ASN 104 Ca -0.05 -0.66 0.10 0.00 -0.03 0.00 0.00 54.58 53.94 1xfr n ASN 104 Cb 0.59 -0.19 0.52 0.00 -0.61 0.00 0.00 39.78 40.09 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1xfr h ASP 105 N -1.26 0.00 -1.17 6.41 1.82 -2.04 -3.41 116.42 116.77 1xfr h ASP 105 Ca -0.08 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.11 1xfr h ASP 105 Cb 0.24 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.19 1xfr h ASP 105 CO 0.05 0.00 1.10 -0.62 -1.61 0.00 0.00 179.24 178.16 1xfr s ASP 106 N -3.79 5.71 0.56 2.28 -1.08 -1.26 -4.83 116.67 114.26 1xfr s ASP 106 Ca -0.02 -0.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.50 1xfr s ASP 106 Cb 0.06 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.43 1xfr s ASP 106 CO 0.17 -2.20 1.98 0.11 0.52 0.00 0.00 175.17 175.76 1xfr h LYS 107 N 11.13 0.00 0.19 4.34 6.56 -1.99 -0.10 116.57 136.71 1xfr h LYS 107 Ca 0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1xfr h LYS 107 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1xfr h LYS 107 CO 1.29 0.00 -0.09 0.00 -2.06 0.00 0.00 179.45 178.59 1xfr h ILE 109 N -0.34 0.63 -0.10 0.00 1.08 -1.34 -1.98 117.51 115.46 1xfr h ILE 109 Ca -0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1xfr h ILE 109 Cb 0.26 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1xfr h ILE 109 CO 0.04 0.00 -0.17 -0.25 -0.69 0.00 0.00 178.15 177.08 1xfr h TRP 110 N -0.25 -0.52 -0.58 1.37 7.01 -1.15 -1.96 115.95 119.88 1xfr h TRP 110 Ca 0.05 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1xfr h TRP 110 Cb 0.31 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 1xfr h TRP 110 CO -0.21 -0.16 0.38 1.15 -2.79 0.00 0.00 178.44 176.82 1xfr h THR 111 N -0.14 1.07 -0.51 2.65 2.02 -1.33 -0.23 112.91 116.44 1xfr h THR 111 Ca 0.02 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.06 1xfr h THR 111 Cb 0.19 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1xfr h THR 111 CO -0.17 0.12 0.10 0.25 0.37 0.00 0.00 175.52 176.19 1xfr h LEU 112 N 0.67 -0.01 -0.45 2.58 5.85 -0.98 -0.13 115.31 122.83 1xfr h LEU 112 Ca 0.23 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 1xfr h LEU 112 Cb 0.09 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1xfr h LEU 112 CO -0.06 0.02 -0.30 1.23 -0.34 0.00 0.00 178.44 178.99 1xfr h GLY 113 N 0.23 1.05 0.91 3.75 0.00 -0.31 -1.20 103.07 107.49 1xfr h GLY 113 Ca 0.26 -1.00 0.02 0.00 0.00 0.00 0.00 47.33 46.61 1xfr h GLY 113 CO -0.34 0.90 0.45 -2.08 0.00 0.00 0.00 176.54 175.47 1xfr h VAL 114 N 0.81 1.12 -0.62 4.60 2.07 -0.77 -1.18 116.25 122.28 1xfr h VAL 114 Ca 0.09 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1xfr h VAL 114 Cb 0.89 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xfr h VAL 114 CO 0.08 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.85 1xfr h ALA 115 N 1.29 0.86 -0.33 1.67 0.00 -0.93 -2.88 119.26 118.94 1xfr h ALA 115 Ca 0.27 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1xfr h ALA 115 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xfr h ALA 115 CO -0.09 0.67 -0.43 1.15 0.00 0.00 0.00 179.25 180.54 1xfr h THR 116 N 0.99 1.28 -0.00 0.00 2.02 -0.36 0.11 112.91 116.95 1xfr h THR 116 Ca 0.18 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 1xfr h THR 116 Cb 0.53 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1xfr h THR 116 CO 0.03 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.45 1xfr h PHE 118 N -0.29 0.38 -0.48 0.00 3.57 -1.38 -1.63 116.94 117.10 1xfr h PHE 118 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1xfr h PHE 118 Cb 0.29 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.85 1xfr h PHE 118 CO 0.02 0.10 -0.28 -0.22 -2.23 0.00 0.00 178.31 175.71 1xfr h LYS 119 N 0.40 -0.16 -0.93 1.11 3.64 -0.80 -1.41 116.57 118.42 1xfr h LYS 119 Ca 0.29 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 1xfr h LYS 119 Cb 0.34 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 1xfr h LYS 119 CO -0.29 -0.11 0.59 0.00 -2.27 0.00 0.00 179.45 177.38 1xfr h ALA 120 N 1.03 1.30 -0.76 5.00 0.00 -1.29 -0.90 119.26 123.64 1xfr h ALA 120 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1xfr h ALA 120 Cb 0.51 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1xfr h ALA 120 CO -0.58 0.35 0.48 0.93 0.00 0.00 0.00 179.25 180.43 1xfr h GLU 121 N 1.06 0.91 -0.85 0.00 4.39 -1.13 -1.15 114.58 117.82 1xfr h GLU 121 Ca 0.41 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.07 1xfr h GLU 121 Cb 0.19 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1xfr h GLU 121 CO -0.18 0.60 0.55 0.82 -1.16 0.00 0.00 179.01 179.64 1xfr h ILE 122 N 0.93 1.18 0.25 3.13 1.08 -0.64 0.37 117.51 123.81 1xfr h ILE 122 Ca 0.31 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1xfr h ILE 122 Cb 0.02 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1xfr h ILE 122 CO -0.11 0.20 -0.13 0.45 -0.69 0.00 0.00 178.15 177.87 1xfr h HIS 123 N 1.10 -0.34 -0.81 1.37 3.86 -0.74 -0.45 115.15 119.14 1xfr h HIS 123 Ca 0.32 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.64 1xfr h HIS 123 Cb -0.07 0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 1xfr h HIS 123 CO -0.02 -0.21 0.43 0.87 0.86 0.00 0.00 177.93 179.86 1xfr h LYS 124 N -0.35 0.66 0.00 2.45 6.56 -0.58 0.38 116.57 125.68 1xfr h LYS 124 Ca -0.03 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1xfr h LYS 124 Cb 0.28 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1xfr h LYS 124 CO 0.05 0.43 0.00 1.28 -2.06 0.00 0.00 179.45 179.15 1xfr n LEU 125 N -4.83 0.00 -4.06 2.94 4.77 0.06 -4.89 117.00 110.99 1xfr n LEU 125 Ca 0.14 0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 56.10 1xfr n LEU 125 Cb 0.34 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1xfr n LEU 125 CO 0.24 -0.11 -0.30 -3.20 -1.33 0.00 0.00 177.39 172.68 1xfr n ASN 126 N -1.25 -0.18 -0.78 -1.43 5.15 0.12 -4.89 115.26 112.00 1xfr n ASN 126 Ca 0.08 -1.10 0.12 0.00 -0.60 0.00 0.00 54.58 53.09 1xfr n ASN 126 Cb 0.12 -2.58 0.29 0.00 -0.53 0.00 0.00 39.78 37.09 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 -4.47 0.11 0.43 1.20 8.01 -0.22 -4.74 117.44 117.77 1xfr n TRP 127 Ca -0.31 -0.06 0.05 0.00 -1.31 0.00 0.00 57.50 55.88 1xfr n TRP 127 Cb 0.68 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 30.03 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68