#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 0.49 -0.51 1.43 4.20 -1.92 -2.67 115.11 116.13 1xfr h GLN 2 Ca 0.00 -0.16 0.10 0.00 0.06 0.00 0.00 58.65 58.66 1xfr h GLN 2 Cb 0.00 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.64 1xfr h GLN 2 CO 0.00 0.65 -0.15 1.49 -0.67 0.00 0.00 178.83 180.15 1xfr h GLU 3 N 0.45 -0.02 0.14 1.46 4.81 -2.00 0.76 114.58 120.17 1xfr h GLU 3 Ca 0.08 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.01 1xfr h GLU 3 Cb 0.55 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.97 1xfr h GLU 3 CO 0.04 -0.01 -1.27 -0.24 -0.73 0.00 0.00 179.01 176.80 1xfr h VAL 4 N -0.02 1.32 -0.53 0.32 3.04 -1.89 -2.99 116.25 115.50 1xfr h VAL 4 Ca 0.25 -2.57 0.07 0.00 -1.01 0.00 0.00 66.70 63.44 1xfr h VAL 4 Cb 0.40 2.76 -0.06 0.00 -2.01 0.00 0.00 31.29 32.38 1xfr h VAL 4 CO -0.54 0.78 0.19 -0.03 -1.01 0.00 0.00 177.57 176.95 1xfr h MET 5 N 0.23 0.35 -0.35 4.17 4.05 -1.03 0.17 114.93 122.52 1xfr h MET 5 Ca -0.19 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1xfr h MET 5 Cb 1.94 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.65 1xfr h MET 5 CO 0.24 0.23 0.21 0.87 0.23 0.00 0.00 176.91 178.69 1xfr h LYS 6 N 0.36 0.48 -0.23 0.39 1.57 -0.92 -0.78 116.57 117.44 1xfr h LYS 6 Ca 0.26 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1xfr h LYS 6 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xfr h LYS 6 CO -0.26 0.37 -0.20 -0.97 -0.57 0.00 0.00 179.45 177.82 1xfr h ASN 7 N 0.45 0.41 0.27 0.86 -1.24 -1.18 -1.04 115.58 114.11 1xfr h ASN 7 Ca 0.13 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1xfr h ASN 7 Cb 0.01 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1xfr h ASN 7 CO -0.02 0.62 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.54 1xfr h LEU 8 N 0.38 -0.31 0.00 0.34 3.38 -0.46 0.62 115.31 119.25 1xfr h LEU 8 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xfr h LEU 8 Cb 0.56 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xfr h LEU 8 CO 0.04 -0.14 0.00 -0.24 0.09 0.00 0.00 178.44 178.18 1xfr n SER 9 N -5.21 0.00 -0.09 -0.43 2.88 -0.32 -0.75 113.62 109.70 1xfr n SER 9 Ca -0.10 -0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 57.07 1xfr n SER 9 Cb 0.19 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.59 1xfr n SER 9 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xfr n LEU 10 N -1.02 1.87 0.24 2.46 7.94 -0.42 -4.30 117.00 123.77 1xfr n LEU 10 Ca 0.06 0.32 0.09 0.00 -1.11 0.00 0.00 56.01 55.37 1xfr n LEU 10 Cb 0.03 -0.73 0.61 0.00 0.53 0.00 0.00 43.42 43.86 1xfr n LEU 10 CO 0.05 -0.09 0.94 0.78 -1.11 0.00 0.00 177.39 177.95 1xfr h ASN 11 N -0.94 0.00 0.14 1.96 2.35 -0.71 -0.74 115.58 117.64 1xfr h ASN 11 Ca -0.16 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1xfr h ASN 11 Cb 1.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 1xfr h ASN 11 CO -0.10 0.15 -0.17 0.15 -1.65 0.00 0.00 177.43 175.82 1xfr h PHE 12 N 0.00 -0.44 0.00 1.19 3.57 -1.16 -2.76 116.94 117.34 1xfr h PHE 12 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xfr h PHE 12 Cb 0.32 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1xfr h PHE 12 CO 0.00 -0.25 0.00 0.41 -2.23 0.00 0.00 178.31 176.24 1xfr n GLY 13 N -1.29 1.85 0.17 2.40 0.00 -0.32 -4.35 105.19 103.66 1xfr n GLY 13 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1xfr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfr h LYS 14 N 0.00 -0.40 -2.03 1.61 1.79 -1.16 -3.33 116.57 113.05 1xfr h LYS 14 Ca 0.00 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.41 1xfr h LYS 14 Cb 0.85 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 1xfr h LYS 14 CO 0.00 -0.27 -0.16 0.00 -1.08 0.00 0.00 179.45 177.94 1xfr n ALA 15 N -2.34 4.90 0.14 3.86 0.00 -1.26 -4.44 120.51 121.36 1xfr n ALA 15 Ca -0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 1xfr n ALA 15 Cb 0.17 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 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 4.05 -0.34 -1.34 0.00 5.85 -1.89 -1.47 115.31 120.18 1xfr h LEU 16 Ca 0.09 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1xfr h LEU 16 Cb 1.17 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1xfr h LEU 16 CO 0.12 0.10 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.26 1xfr h ASP 17 N -0.88 0.00 0.00 1.25 1.82 -1.91 0.26 116.42 116.97 1xfr h ASP 17 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1xfr h ASP 17 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1xfr h ASP 17 CO 0.07 0.28 0.00 -0.62 -1.61 0.00 0.00 179.24 177.36 1xfr n GLU 18 N -3.72 0.00 0.14 0.28 -0.58 -1.24 -1.79 120.64 113.74 1xfr n GLU 18 Ca -0.01 0.51 0.18 0.00 -0.42 0.00 0.00 57.16 57.42 1xfr n GLU 18 Cb 0.39 -1.38 0.77 0.00 -0.57 0.00 0.00 31.44 30.65 1xfr n GLU 18 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xfr h LYS 20 N 0.00 0.07 -0.09 0.00 1.57 -0.47 -2.63 116.57 115.01 1xfr h LYS 20 Ca 0.14 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 1xfr h LYS 20 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1xfr h LYS 20 CO -0.00 0.19 -0.66 -0.22 -0.57 0.00 0.00 179.45 178.19 1xfr h LYS 21 N -0.07 0.35 -0.66 3.15 3.11 0.02 0.17 116.57 122.64 1xfr h LYS 21 Ca 0.02 -0.26 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1xfr h LYS 21 Cb 0.15 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.39 1xfr h LYS 21 CO -0.00 0.89 0.43 0.93 -2.81 0.00 0.00 179.45 178.88 1xfr h GLU 22 N 0.25 0.83 0.00 1.90 4.39 -0.61 -3.31 114.58 118.04 1xfr h GLU 22 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1xfr h GLU 22 Cb 1.20 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1xfr h GLU 22 CO 0.11 0.55 0.00 -1.33 -1.16 0.00 0.00 179.01 177.18 1xfr n MET 23 N -4.66 1.76 -3.33 2.33 2.81 -1.00 -5.04 117.12 110.00 1xfr n MET 23 Ca 0.06 -1.17 -0.25 0.00 -1.81 0.00 0.00 57.70 54.53 1xfr n MET 23 Cb 0.05 -0.97 0.02 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.34 -6.40 -4.94 2.03 -1.04 -0.10 -5.03 114.28 98.46 1xfr n THR 24 Ca 0.00 0.27 -0.32 0.00 -2.04 0.00 0.00 64.05 61.96 1xfr n THR 24 Cb 0.19 -4.81 -0.13 0.00 -1.82 0.00 0.00 70.33 63.76 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 -3.00 2.65 0.00 -4.42 1.43 -0.33 -5.03 118.68 109.98 1xfr s LEU 25 Ca 0.26 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1xfr s LEU 25 Cb -0.04 -1.53 0.16 0.00 0.03 0.00 0.00 46.19 44.81 1xfr s LEU 25 CO 0.84 0.34 0.94 0.35 0.23 0.00 0.00 176.35 179.05 1xfr n THR 26 N 2.30 0.00 0.27 5.49 -2.24 -1.26 -4.73 114.28 114.11 1xfr n THR 26 Ca -0.17 -0.80 0.16 0.00 -2.27 0.00 0.00 64.05 60.97 1xfr n THR 26 Cb 0.52 -1.53 0.55 0.00 -2.10 0.00 0.00 70.33 67.77 1xfr n THR 26 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xfr h ASP 27 N -1.14 0.00 0.32 3.42 2.03 -2.01 -3.33 116.42 115.72 1xfr h ASP 27 Ca -0.30 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.98 1xfr h ASP 27 Cb 0.88 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1xfr h ASP 27 CO 0.23 0.00 -0.10 0.00 -1.03 0.00 0.00 179.24 178.34 1xfr h ALA 28 N 2.02 1.31 0.00 4.15 0.00 -2.01 0.18 119.26 124.90 1xfr h ALA 28 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xfr h ALA 28 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xfr h ALA 28 CO 0.00 0.13 -0.19 -0.84 0.00 0.00 0.00 179.25 178.35 1xfr h ILE 29 N 0.00 0.59 0.00 0.00 3.07 -1.96 -1.38 117.51 117.82 1xfr h ILE 29 Ca -0.00 -0.87 -0.06 0.00 1.55 0.00 0.00 64.86 65.49 1xfr h ILE 29 Cb 0.29 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 1xfr h ILE 29 CO 0.01 0.18 -0.26 0.78 -1.05 0.00 0.00 178.15 177.81 1xfr h ASN 30 N 0.00 0.00 -0.12 2.16 2.35 -0.87 0.15 115.58 119.25 1xfr h ASN 30 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1xfr h ASN 30 Cb 0.56 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1xfr h ASN 30 CO 0.02 0.26 -0.81 -0.33 -1.65 0.00 0.00 177.43 174.93 1xfr h GLU 31 N 0.00 0.76 -0.48 0.81 5.08 -1.32 -1.69 114.58 117.74 1xfr h GLU 31 Ca -0.00 -0.66 -0.07 0.00 -1.00 0.00 0.00 59.36 57.63 1xfr h GLU 31 Cb 0.55 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1xfr h GLU 31 CO 0.03 1.26 0.03 -0.44 -1.00 0.00 0.00 179.01 178.89 1xfr h ASP 32 N 0.47 0.80 0.56 1.42 3.32 -0.83 0.73 116.42 122.89 1xfr h ASP 32 Ca -0.07 -0.29 -0.18 0.00 0.02 0.00 0.00 57.03 56.51 1xfr h ASP 32 Cb 1.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1xfr h ASP 32 CO 0.17 0.89 -0.79 -0.26 -1.72 0.00 0.00 179.24 177.52 1xfr h PHE 33 N 0.69 0.25 0.57 4.55 0.04 -0.84 -0.46 116.94 121.74 1xfr h PHE 33 Ca 0.14 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1xfr h PHE 33 Cb 0.46 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.59 1xfr h PHE 33 CO 0.03 0.90 -0.28 -0.92 -0.60 0.00 0.00 178.31 177.45 1xfr h TYR 34 N 0.11 -0.71 0.00 -0.55 3.20 -1.19 -3.25 116.97 114.58 1xfr h TYR 34 Ca -0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1xfr h TYR 34 Cb 1.39 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.89 1xfr h TYR 34 CO 0.02 -0.44 0.00 0.09 -1.64 0.00 0.00 178.16 176.19 1xfr n ASN 35 N -4.61 0.00 -0.20 -2.11 3.02 0.24 -4.31 115.26 107.30 1xfr n ASN 35 Ca -0.10 -0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.18 1xfr n ASN 35 Cb 0.30 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 0.00 -1.44 0.00 3.10 3.57 -1.11 -0.16 116.94 120.90 1xfr h PHE 36 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xfr h PHE 36 Cb 0.09 0.70 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1xfr h PHE 36 CO 0.00 -0.36 0.00 0.91 -2.23 0.00 0.00 178.31 176.63 1xfr n TRP 37 N -4.84 0.00 -0.70 0.41 5.03 -1.26 -4.68 117.44 111.39 1xfr n TRP 37 Ca -0.01 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.20 1xfr n TRP 37 Cb 0.25 -0.04 0.16 0.00 -1.03 0.00 0.00 31.31 30.65 1xfr n TRP 37 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1xfr n LYS 38 N -0.02 -0.68 -1.59 -0.99 5.02 -0.07 -4.94 118.16 114.89 1xfr n LYS 38 Ca 0.00 -0.15 -0.44 0.00 -2.02 0.00 0.00 58.31 55.70 1xfr n LYS 38 Cb 0.11 -2.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 1xfr n LYS 38 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1xfr n GLU 39 N -3.19 2.00 -0.28 1.97 2.13 -1.26 -4.11 120.64 117.89 1xfr n GLU 39 Ca 0.08 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1xfr n GLU 39 Cb 0.54 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 29.13 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xfr n GLY 40 N 5.65 2.24 3.61 8.31 0.00 -1.26 -4.97 105.19 118.77 1xfr n GLY 40 Ca 0.30 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.83 1xfr n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfr n TYR 41 N -2.00 1.66 -4.05 1.61 4.19 -1.26 -4.98 117.16 112.33 1xfr n TYR 41 Ca 0.00 0.56 -0.36 0.00 3.31 0.00 0.00 57.90 61.41 1xfr n TYR 41 Cb 0.00 -2.37 -0.07 0.00 0.49 0.00 0.00 39.34 37.39 1xfr n TYR 41 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1xfr s GLU 42 N 0.15 3.26 -0.21 2.98 8.01 -1.26 -5.03 118.70 126.60 1xfr s GLU 42 Ca 0.77 -0.27 -0.03 0.00 0.01 0.00 0.00 54.97 55.46 1xfr s GLU 42 Cb -0.83 -3.03 -0.00 0.00 -4.31 0.00 0.00 34.13 25.96 1xfr s GLU 42 CO 0.47 0.73 -0.07 0.42 0.01 0.00 0.00 175.26 176.83 1xfr s ILE 43 N -1.03 3.16 0.00 -1.63 1.01 -1.26 -4.96 121.20 116.49 1xfr s ILE 43 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1xfr s ILE 43 Cb -0.12 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1xfr s ILE 43 CO 0.06 0.44 0.00 0.29 0.00 0.00 0.00 174.94 175.73 1xfr n LYS 44 N 4.75 2.60 -1.58 2.79 4.01 -1.26 -4.96 118.16 124.51 1xfr n LYS 44 Ca -0.19 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.22 1xfr n LYS 44 Cb 0.51 -0.77 -0.03 0.00 -0.51 0.00 0.00 35.03 34.23 1xfr n LYS 44 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1xfr n ASN 45 N -1.17 2.80 0.12 4.39 3.02 -1.26 -4.81 115.26 118.35 1xfr n ASN 45 Ca 0.00 -0.15 0.20 0.00 -0.03 0.00 0.00 54.58 54.59 1xfr n ASN 45 Cb 0.00 -1.57 0.76 0.00 -0.61 0.00 0.00 39.78 38.36 1xfr n ASN 45 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1xfr h ARG 46 N 17.36 0.00 -0.42 3.52 0.11 -1.93 -0.92 114.38 132.10 1xfr h ARG 46 Ca -0.33 0.00 0.05 0.00 0.10 0.00 0.00 59.98 59.81 1xfr h ARG 46 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1xfr h ARG 46 CO 1.06 0.00 0.28 0.93 0.10 0.00 0.00 179.97 182.34 1xfr h GLU 47 N 0.00 0.34 -0.18 0.08 4.39 -1.87 -0.33 114.58 117.01 1xfr h GLU 47 Ca 0.17 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1xfr h GLU 47 Cb 0.96 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1xfr h GLU 47 CO -0.00 0.23 -0.03 1.79 -1.16 0.00 0.00 179.01 179.84 1xfr h THR 48 N 0.35 1.28 -0.22 1.13 1.35 -1.52 0.01 112.91 115.29 1xfr h THR 48 Ca 0.18 -0.96 0.06 0.00 -0.55 0.00 0.00 66.41 65.14 1xfr h THR 48 Cb 0.28 1.54 -0.07 0.00 -1.73 0.00 0.00 68.15 68.17 1xfr h THR 48 CO -0.04 0.29 -0.35 1.23 -0.25 0.00 0.00 175.52 176.40 1xfr h GLY 49 N 0.07 -0.44 1.02 5.82 0.00 -1.28 0.20 103.07 108.46 1xfr h GLY 49 Ca 0.05 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1xfr h GLY 49 CO 0.01 -0.22 0.55 0.00 0.00 0.00 0.00 176.54 176.89 1xfr h ALA 51 N 1.30 -0.94 -0.76 0.00 0.00 -0.13 -1.84 119.26 116.89 1xfr h ALA 51 Ca 0.32 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1xfr h ALA 51 Cb -0.07 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 1xfr h ALA 51 CO -0.06 -1.04 0.17 0.82 0.00 0.00 0.00 179.25 179.14 1xfr h ILE 52 N -0.93 0.47 0.24 0.00 2.04 -0.42 0.21 117.51 119.13 1xfr h ILE 52 Ca -0.08 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xfr h ILE 52 Cb 0.74 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1xfr h ILE 52 CO 0.10 0.04 -0.21 -0.03 0.00 0.00 0.00 178.15 178.05 1xfr h MET 53 N 0.25 -0.46 -0.86 2.37 4.05 -0.88 0.56 114.93 119.95 1xfr h MET 53 Ca 0.44 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 1xfr h MET 53 Cb 0.77 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.63 1xfr h MET 53 CO -0.55 -0.31 0.54 0.00 0.23 0.00 0.00 176.91 176.83 1xfr h LEU 55 N 1.18 -0.25 -0.58 0.00 3.38 -0.24 -0.78 115.31 118.02 1xfr h LEU 55 Ca 0.31 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.39 1xfr h LEU 55 Cb -0.08 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1xfr h LEU 55 CO -0.06 -0.16 -0.02 -1.28 0.09 0.00 0.00 178.44 177.01 1xfr h SER 56 N -0.32 -0.30 -0.03 -0.43 0.87 -0.44 -1.00 113.55 111.90 1xfr h SER 56 Ca -0.03 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1xfr h SER 56 Cb 0.25 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1xfr h SER 56 CO 0.05 -0.12 -0.37 0.74 -0.53 0.00 0.00 176.83 176.61 1xfr h THR 57 N 0.10 0.23 0.00 2.23 2.02 -0.58 -1.63 112.91 115.28 1xfr h THR 57 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1xfr h THR 57 Cb 0.47 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1xfr h THR 57 CO -0.51 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.49 1xfr h LYS 58 N -0.50 0.00 -0.09 6.66 1.57 0.16 0.11 116.57 124.48 1xfr h LYS 58 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xfr h LYS 58 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1xfr h LYS 58 CO -0.31 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.85 1xfr n LEU 59 N -2.57 0.62 -1.64 2.94 7.99 -0.81 -4.88 117.00 118.64 1xfr n LEU 59 Ca 0.01 -0.28 -0.18 0.00 -0.01 0.00 0.00 56.01 55.55 1xfr n LEU 59 Cb 0.20 -0.06 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1xfr n LEU 59 CO 0.20 0.14 -0.19 -3.20 -1.51 0.00 0.00 177.39 172.83 1xfr n ASN 60 N -0.29 -5.16 -0.02 -1.43 5.15 0.39 -4.91 115.26 108.98 1xfr n ASN 60 Ca 0.10 0.25 0.15 0.00 -0.60 0.00 0.00 54.58 54.48 1xfr n ASN 60 Cb 0.14 -4.23 0.74 0.00 -0.53 0.00 0.00 39.78 35.89 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 -2.58 0.50 -4.05 1.20 2.81 -0.64 -4.75 117.12 109.61 1xfr n MET 61 Ca -0.19 -0.04 -0.35 0.00 -1.81 0.00 0.00 57.70 55.31 1xfr n MET 61 Cb 0.62 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.53 2.85 1.26 4.03 1.02 -1.25 -0.46 118.68 123.60 1xfr s LEU 62 Ca 0.29 -0.38 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 1xfr s LEU 62 Cb 0.20 -1.71 0.28 0.00 0.02 0.00 0.00 46.19 44.98 1xfr s LEU 62 CO 0.46 0.01 0.66 -0.67 0.02 0.00 0.00 176.35 176.84 1xfr n ASP 63 N 4.56 -3.12 -1.74 2.29 2.03 -0.53 -4.74 116.55 115.30 1xfr n ASP 63 Ca -0.18 -0.50 -0.04 0.00 0.52 0.00 0.00 54.79 54.59 1xfr n ASP 63 Cb 0.51 -1.01 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 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 -4.24 1.21 0.10 -0.67 -0.04 -1.26 -2.11 135.00 127.99 1xfr n PRO 64 Ca 0.07 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1xfr n PRO 64 Cb 0.54 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.92 0.00 0.00 0.54 -0.58 -1.26 -5.05 120.64 116.20 1xfr n GLU 65 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1xfr n GLU 65 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 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 -0.35 0.86 3.75 0.62 0.00 -0.90 -5.15 105.19 104.02 1xfr n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1xfr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfr s ASN 67 N -0.05 4.15 -0.38 1.61 2.20 -1.26 -4.68 114.94 116.52 1xfr s ASN 67 Ca 0.00 1.77 -0.28 0.00 -0.94 0.00 0.00 52.86 53.40 1xfr s ASN 67 Cb 0.00 -2.44 -0.01 0.00 -2.00 0.00 0.00 41.25 36.80 1xfr s ASN 67 CO 0.00 -2.26 1.65 -0.22 -2.94 0.00 0.00 177.10 173.34 1xfr s LEU 68 N -6.04 3.52 -0.83 3.54 1.98 -1.26 -1.45 118.68 118.13 1xfr s LEU 68 Ca 0.62 1.06 -0.25 0.00 -2.89 0.00 0.00 54.13 52.66 1xfr s LEU 68 Cb -0.18 -3.46 0.03 0.00 0.66 0.00 0.00 46.19 43.24 1xfr s LEU 68 CO 0.56 -1.64 1.42 -2.28 -1.89 0.00 0.00 176.35 172.52 1xfr s HIS 69 N 6.46 2.29 0.19 5.38 5.65 0.39 -4.90 115.29 130.74 1xfr s HIS 69 Ca 0.72 -0.21 -0.20 0.00 0.25 0.00 0.00 55.06 55.62 1xfr s HIS 69 Cb -0.19 -4.58 0.14 0.00 -1.18 0.00 0.00 32.58 26.78 1xfr s HIS 69 CO 0.32 -2.04 1.58 0.45 -0.65 0.00 0.00 174.74 174.41 1xfr h HIS 70 N 10.44 -0.96 0.17 3.88 -0.00 -1.92 -0.93 115.15 125.84 1xfr h HIS 70 Ca -0.10 0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1xfr h HIS 70 Cb 1.04 0.52 -0.02 0.00 -0.00 0.00 0.00 27.41 28.95 1xfr h HIS 70 CO 1.18 -0.39 -0.30 0.78 -0.00 0.00 0.00 177.93 179.20 1xfr h GLY 71 N -0.14 -1.12 1.39 2.45 0.00 -1.97 -0.47 103.07 103.21 1xfr h GLY 71 Ca 0.25 0.54 -0.05 0.00 0.00 0.00 0.00 47.33 48.06 1xfr h GLY 71 CO -0.72 -0.34 0.09 3.43 0.00 0.00 0.00 176.54 178.99 1xfr h ASN 72 N -0.51 0.71 -0.44 0.19 4.21 -1.82 0.05 115.58 117.96 1xfr h ASN 72 Ca -0.02 -0.13 0.06 0.00 1.21 0.00 0.00 56.30 57.42 1xfr h ASN 72 Cb 0.48 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.44 1xfr h ASN 72 CO -0.11 0.72 0.14 0.00 -1.29 0.00 0.00 177.43 176.90 1xfr h ALA 73 N 1.37 0.52 -0.39 -0.83 0.00 -1.04 -1.29 119.26 117.60 1xfr h ALA 73 Ca 0.16 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1xfr h ALA 73 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xfr h ALA 73 CO 0.00 -0.25 -0.33 1.98 0.00 0.00 0.00 179.25 180.65 1xfr h MET 74 N 0.30 0.91 -0.48 0.00 1.85 -0.19 -2.89 114.93 114.44 1xfr h MET 74 Ca 0.21 -0.46 0.02 0.00 -0.61 0.00 0.00 59.70 58.86 1xfr h MET 74 Cb 0.22 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 1xfr h MET 74 CO -0.23 1.11 0.29 0.93 -0.40 0.00 0.00 176.91 178.61 1xfr h GLU 75 N 0.73 0.56 -0.59 0.39 4.39 -0.86 -1.14 114.58 118.05 1xfr h GLU 75 Ca 0.07 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1xfr h GLU 75 Cb 0.92 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.37 1xfr h GLU 75 CO 0.09 0.37 0.19 0.35 -1.16 0.00 0.00 179.01 178.84 1xfr h PHE 76 N 0.57 0.33 0.63 4.33 3.57 -1.18 -0.36 116.94 124.83 1xfr h PHE 76 Ca 0.19 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1xfr h PHE 76 Cb 0.02 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1xfr h PHE 76 CO -0.07 0.06 -0.34 0.00 -2.23 0.00 0.00 178.31 175.73 1xfr h ALA 77 N 1.43 -1.21 -0.60 2.41 0.00 -1.17 -3.07 119.26 117.05 1xfr h ALA 77 Ca 0.30 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xfr h ALA 77 Cb 0.40 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1xfr h ALA 77 CO -0.33 -1.16 0.28 0.87 0.00 0.00 0.00 179.25 178.91 1xfr h LYS 78 N -0.89 0.49 -0.74 0.00 6.56 -0.99 -1.57 116.57 119.44 1xfr h LYS 78 Ca -0.09 -0.03 0.16 0.00 -1.06 0.00 0.00 60.65 59.63 1xfr h LYS 78 Cb 0.70 -0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 32.11 1xfr h LYS 78 CO 0.12 0.33 -0.11 -0.22 -2.06 0.00 0.00 179.45 177.51 1xfr h LYS 79 N 0.51 0.04 0.00 3.15 3.64 -1.11 -0.08 116.57 122.72 1xfr h LYS 79 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1xfr h LYS 79 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xfr h LYS 79 CO -0.24 0.02 0.00 0.72 -2.27 0.00 0.00 179.45 177.69 1xfr n HIS 80 N -5.43 0.31 0.00 1.91 8.25 -0.63 -4.82 115.22 114.81 1xfr n HIS 80 Ca 0.11 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1xfr n HIS 80 Cb 0.41 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 0.11 1.17 3.76 -1.41 0.00 -0.05 -4.87 105.19 103.90 1xfr n GLY 81 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr s ALA 82 N -2.00 2.47 0.76 4.61 0.00 -0.95 -4.97 121.76 121.69 1xfr s ALA 82 Ca 0.00 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 1xfr s ALA 82 Cb 0.00 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1xfr s ALA 82 CO 0.00 -1.25 1.09 -0.51 0.00 0.00 0.00 175.76 175.10 1xfr s ASP 83 N -1.99 4.55 0.09 0.00 1.11 -1.26 -4.43 116.67 114.74 1xfr s ASP 83 Ca 0.73 1.85 -0.24 0.00 0.18 0.00 0.00 52.55 55.07 1xfr s ASP 83 Cb -0.26 -2.53 -0.15 0.00 1.07 0.00 0.00 42.92 41.05 1xfr s ASP 83 CO 0.36 -2.00 1.73 -0.08 1.18 0.00 0.00 175.17 176.35 1xfr h GLU 84 N -1.00 -0.10 -0.27 8.23 4.81 -1.98 -0.16 114.58 124.11 1xfr h GLU 84 Ca -0.44 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1xfr h GLU 84 Cb 1.23 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1xfr h GLU 84 CO 0.51 -0.07 0.15 1.15 -0.73 0.00 0.00 179.01 180.02 1xfr h THR 85 N -0.11 1.12 0.12 0.32 2.02 -1.99 0.98 112.91 115.38 1xfr h THR 85 Ca -0.01 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1xfr h THR 85 Cb 0.09 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xfr h THR 85 CO 0.01 0.12 -0.30 -0.03 0.37 0.00 0.00 175.52 175.69 1xfr h MET 86 N 0.32 -0.50 -0.17 6.66 1.85 -1.94 0.40 114.93 121.54 1xfr h MET 86 Ca 0.09 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1xfr h MET 86 Cb 0.05 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 1xfr h MET 86 CO -0.02 -0.34 0.11 0.00 -0.40 0.00 0.00 176.91 176.27 1xfr h ALA 87 N 0.15 1.86 0.33 0.39 0.00 -0.45 0.14 119.26 121.68 1xfr h ALA 87 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 87 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xfr h ALA 87 CO -0.17 0.13 -0.16 0.37 0.00 0.00 0.00 179.25 179.42 1xfr h GLN 88 N 0.24 -0.42 -0.30 0.00 -0.00 -0.27 -2.64 115.11 111.71 1xfr h GLN 88 Ca 0.06 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.81 1xfr h GLN 88 Cb -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 27.48 27.48 1xfr h GLN 88 CO -0.01 -0.14 -0.38 1.96 0.00 0.00 0.00 178.83 180.26 1xfr h GLN 89 N -0.70 -0.34 -0.55 1.69 4.20 0.06 0.21 115.11 119.67 1xfr h GLN 89 Ca -0.04 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.79 1xfr h GLN 89 Cb 0.48 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 1xfr h GLN 89 CO 0.07 -0.23 -0.34 -0.07 -0.67 0.00 0.00 178.83 177.60 1xfr h LEU 90 N -0.35 -1.17 -0.52 1.46 4.07 -0.81 0.16 115.31 118.15 1xfr h LEU 90 Ca 0.13 0.22 -0.15 0.00 0.08 0.00 0.00 57.88 58.16 1xfr h LEU 90 Cb 0.58 0.57 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1xfr h LEU 90 CO -0.49 -0.31 -0.44 0.40 -1.08 0.00 0.00 178.44 176.52 1xfr h ILE 91 N -0.18 1.29 -0.29 1.22 5.03 -0.99 0.42 117.51 124.00 1xfr h ILE 91 Ca 0.22 -1.63 -0.05 0.00 -0.12 0.00 0.00 64.86 63.28 1xfr h ILE 91 Cb 0.55 1.55 -0.02 0.00 -3.03 0.00 0.00 36.82 35.87 1xfr h ILE 91 CO -0.65 0.52 -0.04 -0.78 -0.68 0.00 0.00 178.15 176.52 1xfr h ASP 92 N 0.57 0.44 0.00 1.72 3.58 0.67 0.35 116.42 123.75 1xfr h ASP 92 Ca 0.04 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1xfr h ASP 92 Cb 0.99 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1xfr h ASP 92 CO 0.09 0.53 -0.11 0.40 -2.88 0.00 0.00 179.24 177.28 1xfr h ILE 93 N 0.44 1.28 0.32 2.25 2.04 -0.66 -1.92 117.51 121.27 1xfr h ILE 93 Ca 0.09 -2.00 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 1xfr h ILE 93 Cb 0.36 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1xfr h ILE 93 CO 0.01 0.43 -0.31 0.58 0.00 0.00 0.00 178.15 178.87 1xfr h VAL 94 N -1.00 0.36 -0.65 1.67 2.07 -0.87 -1.27 116.25 116.55 1xfr h VAL 94 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1xfr h VAL 94 Cb 0.78 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1xfr h VAL 94 CO -0.02 0.00 0.43 -0.74 0.02 0.00 0.00 177.57 177.27 1xfr h HIS 95 N -0.65 0.78 -0.11 1.57 -0.00 -0.45 0.13 115.15 116.41 1xfr h HIS 95 Ca -0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1xfr h HIS 95 Cb 0.59 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1xfr h HIS 95 CO -0.18 0.47 0.03 0.41 -0.00 0.00 0.00 177.93 178.66 1xfr n GLY 96 N -1.44 1.92 1.51 5.26 0.00 -0.72 -3.40 105.19 108.32 1xfr n GLY 96 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.88 0.00 114.58 116.78 1xfr h GLU 98 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xfr h GLU 98 Cb 0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1xfr h GLU 98 CO 0.00 0.00 -0.83 1.63 -1.40 0.00 0.00 179.01 178.41 1xfr n LYS 99 N -4.01 2.55 -0.02 2.33 4.01 -1.25 -4.78 118.16 116.99 1xfr n LYS 99 Ca 0.39 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 58.15 1xfr n LYS 99 Cb 1.78 -0.92 0.19 0.00 -0.51 0.00 0.00 35.03 35.57 1xfr n LYS 99 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1xfr h SER 100 N 0.00 0.57 -2.59 4.39 0.87 -1.58 -3.41 113.55 111.81 1xfr h SER 100 Ca 0.00 -0.18 -0.54 0.00 -1.23 0.00 0.00 61.79 59.85 1xfr h SER 100 Cb 0.55 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1xfr h SER 100 CO 0.00 0.77 1.08 -0.89 -0.53 0.00 0.00 176.83 177.25 1xfr s THR 101 N -4.63 3.12 0.39 2.23 2.01 -0.08 -4.99 115.64 113.68 1xfr s THR 101 Ca -0.08 0.40 -0.24 0.00 0.31 0.00 0.00 61.69 62.08 1xfr s THR 101 Cb 0.14 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 1xfr s THR 101 CO 0.80 -0.02 1.06 -2.16 -0.69 0.00 0.00 174.62 173.61 1xfr s PRO 102 N 3.36 4.18 0.31 4.92 0.04 -1.26 -4.95 135.00 141.60 1xfr s PRO 102 Ca 0.77 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1xfr s PRO 102 Cb -0.39 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.58 1xfr s PRO 102 CO 0.34 -0.14 0.69 0.00 0.04 0.00 0.00 177.00 177.93 1xfr s ALA 103 N -1.60 -0.81 1.24 8.56 0.00 -1.26 -4.95 121.76 122.94 1xfr s ALA 103 Ca 0.57 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1xfr s ALA 103 Cb -0.23 0.85 0.30 0.00 0.00 0.00 0.00 23.12 24.04 1xfr s ALA 103 CO 0.29 -0.98 1.01 -0.80 0.00 0.00 0.00 175.76 175.28 1xfr s ASN 104 N -3.00 0.42 0.00 0.00 0.01 -1.26 -4.92 114.94 106.20 1xfr s ASN 104 Ca 0.15 1.10 0.15 0.00 -0.71 0.00 0.00 52.86 53.55 1xfr s ASN 104 Cb -0.05 -1.66 0.73 0.00 0.41 0.00 0.00 41.25 40.68 1xfr s ASN 104 CO 0.09 -4.49 1.40 -0.67 -1.51 0.00 0.00 177.10 171.93 1xfr n ASP 105 N -5.07 0.00 -4.55 -1.22 2.03 -1.26 -4.53 116.55 101.95 1xfr n ASP 105 Ca 0.08 0.09 -0.37 0.00 0.52 0.00 0.00 54.79 55.10 1xfr n ASP 105 Cb 0.57 -0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfr s ASP 106 N -2.58 4.85 0.46 1.67 -1.08 -1.26 -4.85 116.67 113.89 1xfr s ASP 106 Ca 0.14 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.17 1xfr s ASP 106 Cb 0.10 -2.51 1.31 0.00 -1.46 0.00 0.00 42.92 40.36 1xfr s ASP 106 CO 0.22 -2.62 1.78 0.11 0.52 0.00 0.00 175.17 175.18 1xfr h LYS 107 N 17.28 0.20 -0.21 4.34 6.56 -1.99 -0.76 116.57 141.99 1xfr h LYS 107 Ca -0.25 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.29 1xfr h LYS 107 Cb 1.22 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 1xfr h LYS 107 CO 1.18 0.13 -0.01 0.00 -2.06 0.00 0.00 179.45 178.70 1xfr h ILE 109 N 0.13 1.18 -0.06 0.00 1.08 -1.43 -2.19 117.51 116.22 1xfr h ILE 109 Ca 0.06 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1xfr h ILE 109 Cb 0.41 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1xfr h ILE 109 CO 0.01 0.17 -0.23 -0.25 -0.69 0.00 0.00 178.15 177.17 1xfr h TRP 110 N 0.10 -0.67 0.00 1.37 7.01 -1.20 -1.70 115.95 120.85 1xfr h TRP 110 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1xfr h TRP 110 Cb 0.22 0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1xfr h TRP 110 CO -0.00 -0.23 -0.07 1.15 -2.79 0.00 0.00 178.44 176.50 1xfr h THR 111 N -0.24 0.44 0.56 2.65 2.02 -1.32 -0.86 112.91 116.17 1xfr h THR 111 Ca 0.01 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1xfr h THR 111 Cb 0.28 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1xfr h THR 111 CO -0.18 0.07 -0.35 0.25 0.37 0.00 0.00 175.52 175.68 1xfr h LEU 112 N 0.00 -0.87 -0.88 2.58 6.46 -0.85 -0.74 115.31 121.01 1xfr h LEU 112 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1xfr h LEU 112 Cb 0.24 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1xfr h LEU 112 CO 0.01 -0.54 0.19 1.23 -0.62 0.00 0.00 178.44 178.71 1xfr h GLY 113 N -0.86 1.09 0.68 3.75 0.00 -0.39 0.36 103.07 107.70 1xfr h GLY 113 Ca -0.07 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1xfr h GLY 113 CO 0.07 0.60 -0.32 -2.08 0.00 0.00 0.00 176.54 174.80 1xfr h VAL 114 N 0.98 0.34 -0.13 4.60 2.07 -1.14 -2.20 116.25 120.76 1xfr h VAL 114 Ca 0.21 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 1xfr h VAL 114 Cb 0.30 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1xfr h VAL 114 CO -0.01 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.24 1xfr h ALA 115 N -0.17 1.18 0.00 1.67 0.00 -0.85 -2.16 119.26 118.93 1xfr h ALA 115 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xfr h ALA 115 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xfr h ALA 115 CO -0.04 0.54 0.00 2.41 0.00 0.00 0.00 179.25 182.16 1xfr n THR 116 N -4.08 0.71 0.01 0.00 -1.04 0.09 0.42 114.28 110.39 1xfr n THR 116 Ca -0.01 0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.83 1xfr n THR 116 Cb 0.43 -0.91 -0.14 0.00 -1.82 0.00 0.00 70.33 67.89 1xfr n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xfr n PHE 118 N -4.08 0.67 0.09 0.00 7.35 -0.80 -1.97 117.46 118.73 1xfr n PHE 118 Ca -0.21 0.35 -0.05 0.00 -0.76 0.00 0.00 57.45 56.79 1xfr n PHE 118 Cb 0.83 -1.02 -0.02 0.00 0.35 0.00 0.00 39.48 39.62 1xfr n PHE 118 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xfr h LYS 119 N 0.00 -0.29 -0.74 -4.13 3.64 -0.14 -3.38 116.57 111.54 1xfr h LYS 119 Ca 0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1xfr h LYS 119 Cb 0.14 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1xfr h LYS 119 CO 0.00 -0.19 0.35 0.00 -2.27 0.00 0.00 179.45 177.34 1xfr h ALA 120 N -1.38 1.04 -0.88 5.00 0.00 -1.47 -1.15 119.26 120.42 1xfr h ALA 120 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1xfr h ALA 120 Cb 0.23 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1xfr h ALA 120 CO 0.05 -0.10 0.49 1.05 0.00 0.00 0.00 179.25 180.74 1xfr h GLU 121 N 0.56 0.73 -0.22 0.00 -0.00 -1.74 -1.66 114.58 112.25 1xfr h GLU 121 Ca 0.38 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.68 1xfr h GLU 121 Cb 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 1xfr h GLU 121 CO -0.32 0.48 0.06 0.82 -0.00 0.00 0.00 179.01 180.06 1xfr h ILE 122 N 0.75 1.19 -0.72 -1.06 1.08 -1.37 0.11 117.51 117.49 1xfr h ILE 122 Ca 0.46 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1xfr h ILE 122 Cb 0.55 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 1xfr h ILE 122 CO -0.31 0.20 0.43 0.45 -0.69 0.00 0.00 178.15 178.23 1xfr h HIS 123 N 0.18 0.80 -0.10 1.37 3.86 -1.43 0.62 115.15 120.44 1xfr h HIS 123 Ca 0.07 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1xfr h HIS 123 Cb 0.24 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1xfr h HIS 123 CO 0.00 0.41 0.02 0.87 0.86 0.00 0.00 177.93 180.10 1xfr h LYS 124 N 0.81 0.06 0.00 2.45 6.56 -0.35 -1.55 116.57 124.55 1xfr h LYS 124 Ca 0.31 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1xfr h LYS 124 Cb 0.12 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1xfr h LYS 124 CO -0.15 0.04 0.00 1.28 -2.06 0.00 0.00 179.45 178.56 1xfr n LEU 125 N -5.08 0.00 -3.40 2.94 4.77 0.29 -4.85 117.00 111.66 1xfr n LEU 125 Ca -0.05 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 1xfr n LEU 125 Cb 0.05 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1xfr n LEU 125 CO 0.31 -0.12 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.05 1xfr n ASN 126 N -1.15 -4.32 -0.41 -1.43 5.15 -0.22 -4.89 115.26 108.00 1xfr n ASN 126 Ca 0.04 -0.44 0.12 0.00 -0.60 0.00 0.00 54.58 53.70 1xfr n ASN 126 Cb 0.04 -3.53 0.50 0.00 -0.53 0.00 0.00 39.78 36.26 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 -4.17 0.09 -0.60 1.20 7.02 0.04 -4.93 117.44 116.10 1xfr n TRP 127 Ca -0.02 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1xfr n TRP 127 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67