#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxx n SER 10 N 0.00 1.81 -3.21 1.67 7.64 -1.26 -5.00 113.62 115.27 1dxx n SER 10 Ca 0.00 0.37 -0.14 0.00 1.01 0.00 0.00 58.87 60.11 1dxx n SER 10 Cb 0.00 -0.75 0.07 0.00 -1.01 0.00 0.00 64.21 62.52 1dxx n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dxx n TYR 11 N -4.38 -2.45 -3.48 1.43 0.18 -1.26 -4.97 117.16 102.23 1dxx n TYR 11 Ca -0.12 0.86 -0.43 0.00 1.88 0.00 0.00 57.90 60.09 1dxx n TYR 11 Cb 0.45 -4.10 -0.08 0.00 -0.38 0.00 0.00 39.34 35.23 1dxx n TYR 11 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1dxx s GLU 12 N -4.30 2.75 -0.72 -3.48 0.41 -1.26 -5.04 118.70 107.06 1dxx s GLU 12 Ca 0.43 -1.56 -0.17 0.00 -0.41 0.00 0.00 54.97 53.26 1dxx s GLU 12 Cb -0.06 -4.01 0.15 0.00 -1.78 0.00 0.00 34.13 28.43 1dxx s GLU 12 CO 0.73 -1.11 0.76 1.03 -0.49 0.00 0.00 175.26 176.18 1dxx s ARG 13 N 1.50 3.33 0.49 1.61 1.81 -1.26 -4.93 118.95 121.50 1dxx s ARG 13 Ca 0.04 -1.87 0.17 0.00 -1.72 0.00 0.00 55.73 52.35 1dxx s ARG 13 Cb -0.26 -4.44 1.21 0.00 -0.45 0.00 0.00 34.95 31.02 1dxx s ARG 13 CO 0.03 -1.45 2.09 0.93 -0.68 0.00 0.00 175.30 176.21 1dxx h GLU 14 N 8.57 0.00 -0.27 3.54 5.08 -1.98 0.13 114.58 129.64 1dxx h GLU 14 Ca -0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1dxx h GLU 14 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1dxx h GLU 14 CO 0.97 0.09 -0.35 0.38 -1.00 0.00 0.00 179.01 179.09 1dxx h ASP 15 N 0.00 0.78 -0.20 1.42 2.03 -2.00 -1.20 116.42 117.26 1dxx h ASP 15 Ca -0.00 -0.50 -0.11 0.00 -0.73 0.00 0.00 57.03 55.69 1dxx h ASP 15 Cb 0.16 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1dxx h ASP 15 CO 0.01 1.13 -0.29 0.58 -1.03 0.00 0.00 179.24 179.64 1dxx h VAL 16 N 0.46 1.33 -0.68 4.15 2.07 -1.68 -3.11 116.25 118.79 1dxx h VAL 16 Ca 0.03 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.09 1dxx h VAL 16 Cb 0.94 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1dxx h VAL 16 CO 0.08 0.46 0.45 1.56 0.02 0.00 0.00 177.57 180.14 1dxx h GLN 17 N 0.22 0.80 -0.56 1.57 4.20 -0.71 -0.61 115.11 120.02 1dxx h GLN 17 Ca 0.02 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.77 1dxx h GLN 17 Cb 0.87 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 1dxx h GLN 17 CO 0.07 0.53 0.18 -0.22 -0.67 0.00 0.00 178.83 178.72 1dxx h LYS 18 N 0.82 0.34 0.23 1.46 3.64 -1.16 0.36 116.57 122.27 1dxx h LYS 18 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1dxx h LYS 18 Cb 0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1dxx h LYS 18 CO -0.07 0.22 -0.11 0.87 -2.27 0.00 0.00 179.45 178.09 1dxx h LYS 19 N 0.35 -0.30 -0.44 1.90 1.57 -1.25 -2.75 116.57 115.65 1dxx h LYS 19 Ca 0.28 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1dxx h LYS 19 Cb 0.35 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1dxx h LYS 19 CO -0.31 0.07 -0.07 1.79 -0.57 0.00 0.00 179.45 180.37 1dxx h THR 20 N -0.86 1.27 -0.67 -0.16 1.35 -0.93 0.27 112.91 113.19 1dxx h THR 20 Ca -0.03 -1.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1dxx h THR 20 Cb 0.51 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 1dxx h THR 20 CO 0.05 0.40 0.40 -0.26 -0.25 0.00 0.00 175.52 175.86 1dxx h PHE 21 N 0.67 0.87 -0.44 4.73 -1.00 -1.08 0.25 116.94 120.94 1dxx h PHE 21 Ca 0.12 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.83 1dxx h PHE 21 Cb 0.60 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1dxx h PHE 21 CO 0.05 0.58 -0.00 1.15 -1.61 0.00 0.00 178.31 178.47 1dxx h THR 22 N 0.91 1.26 -0.76 -1.55 2.02 -1.12 -0.21 112.91 113.46 1dxx h THR 22 Ca 0.24 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1dxx h THR 22 Cb -0.04 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1dxx h THR 22 CO -0.05 0.36 0.49 0.11 0.37 0.00 0.00 175.52 176.80 1dxx h LYS 23 N 0.61 0.95 0.48 6.66 1.57 0.22 0.27 116.57 127.34 1dxx h LYS 23 Ca 0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1dxx h LYS 23 Cb 0.49 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1dxx h LYS 23 CO 0.02 0.63 -0.23 2.35 -0.57 0.00 0.00 179.45 181.65 1dxx h TRP 24 N 0.98 -0.60 -0.47 -1.35 7.01 -0.30 0.52 115.95 121.74 1dxx h TRP 24 Ca 0.29 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.34 1dxx h TRP 24 Cb -0.04 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 1dxx h TRP 24 CO -0.03 -0.35 0.17 0.28 -2.79 0.00 0.00 178.44 175.72 1dxx h VAL 25 N -0.70 0.84 -0.51 2.65 2.07 -0.72 -2.09 116.25 117.79 1dxx h VAL 25 Ca -0.07 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1dxx h VAL 25 Cb 0.52 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1dxx h VAL 25 CO 0.11 0.06 0.18 0.78 0.02 0.00 0.00 177.57 178.72 1dxx h ASN 26 N 0.34 0.68 -0.39 0.57 2.35 -0.21 -1.22 115.58 117.71 1dxx h ASN 26 Ca 0.23 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1dxx h ASN 26 Cb 0.23 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1dxx h ASN 26 CO -0.23 0.63 0.20 0.00 -1.65 0.00 0.00 177.43 176.39 1dxx h ALA 27 N 1.47 1.55 -0.03 -0.83 0.00 -0.24 0.24 119.26 121.41 1dxx h ALA 27 Ca 0.17 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 1dxx h ALA 27 Cb 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dxx h ALA 27 CO -0.01 0.36 -0.99 1.96 0.00 0.00 0.00 179.25 180.57 1dxx h GLN 28 N 0.60 0.72 -0.91 0.00 1.08 -0.77 -1.57 115.11 114.27 1dxx h GLN 28 Ca 0.15 -0.73 0.02 0.00 -1.45 0.00 0.00 58.65 56.65 1dxx h GLN 28 Cb 0.07 0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 1dxx h GLN 28 CO -0.02 1.31 0.60 0.74 -0.95 0.00 0.00 178.83 180.50 1dxx h PHE 29 N 0.43 1.12 0.04 2.96 0.04 -0.67 -1.08 116.94 119.78 1dxx h PHE 29 Ca -0.11 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.71 1dxx h PHE 29 Cb 1.63 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.37 1dxx h PHE 29 CO 0.10 0.68 -0.23 0.77 -0.60 0.00 0.00 178.31 179.03 1dxx h SER 30 N 1.19 -0.65 -0.37 2.17 0.02 -0.38 0.47 113.55 116.00 1dxx h SER 30 Ca 0.35 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.49 1dxx h SER 30 Cb -0.07 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1dxx h SER 30 CO -0.10 -0.30 0.33 0.11 -1.14 0.00 0.00 176.83 175.73 1dxx h LYS 31 N -0.38 0.00 -0.42 3.45 1.57 -0.22 0.56 116.57 121.14 1dxx h LYS 31 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dxx h LYS 31 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1dxx h LYS 31 CO -0.18 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.89 1dxx n PHE 32 N -4.02 0.97 -3.43 -1.35 3.72 -0.52 -4.98 117.46 107.84 1dxx n PHE 32 Ca 0.06 -0.66 -0.17 0.00 -0.05 0.00 0.00 57.45 56.63 1dxx n PHE 32 Cb 0.50 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1dxx n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxx n GLY 33 N 0.37 -1.11 3.17 1.37 0.00 0.19 -5.00 105.19 104.18 1dxx n GLY 33 Ca 0.19 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 1dxx n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxx s LYS 34 N -3.78 0.84 0.67 1.61 1.02 0.14 -4.99 119.74 115.25 1dxx s LYS 34 Ca 0.07 -1.32 -0.17 0.00 0.02 0.00 0.00 55.97 54.57 1dxx s LYS 34 Cb -0.01 -0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1dxx s LYS 34 CO 0.83 -0.01 1.21 0.94 -0.92 0.00 0.00 175.35 177.41 1dxx n GLN 35 N 0.02 0.92 -2.36 1.68 7.27 -1.26 -4.29 117.38 119.36 1dxx n GLN 35 Ca -0.13 0.37 -0.28 0.00 0.07 0.00 0.00 57.00 57.04 1dxx n GLN 35 Cb 0.60 -2.45 0.01 0.00 2.41 0.00 0.00 30.24 30.82 1dxx n GLN 35 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1dxx s HIS 36 N -1.52 3.49 0.27 3.69 3.76 -1.26 -4.88 115.29 118.84 1dxx s HIS 36 Ca 0.80 0.89 0.07 0.00 -0.15 0.00 0.00 55.06 56.68 1dxx s HIS 36 Cb -0.37 -2.54 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 1dxx s HIS 36 CO 0.43 -0.55 0.20 0.96 -0.85 0.00 0.00 174.74 174.93 1dxx s ILE 37 N -2.94 4.15 -0.07 0.60 -4.36 -1.26 -5.05 121.20 112.27 1dxx s ILE 37 Ca 0.51 -1.44 -0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1dxx s ILE 37 Cb -0.11 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1dxx s ILE 37 CO 0.47 -0.31 -0.07 -0.62 0.24 0.00 0.00 174.94 174.65 1dxx n GLU 38 N -1.20 0.17 -3.92 0.37 -0.58 -1.26 -4.97 120.64 109.25 1dxx n GLU 38 Ca -0.06 0.05 -0.35 0.00 -0.42 0.00 0.00 57.16 56.38 1dxx n GLU 38 Cb 0.58 -1.03 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 1dxx n GLU 38 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1dxx s ASN 39 N -4.98 4.42 0.53 1.62 2.47 -1.26 -4.96 114.94 112.78 1dxx s ASN 39 Ca -0.10 -0.79 0.30 0.00 0.42 0.00 0.00 52.86 52.69 1dxx s ASN 39 Cb 0.03 -1.70 1.44 0.00 -1.45 0.00 0.00 41.25 39.56 1dxx s ASN 39 CO 0.16 -0.12 2.04 0.25 -3.72 0.00 0.00 177.10 175.70 1dxx h LEU 40 N 8.06 0.00 -0.36 3.21 5.85 -1.93 0.68 115.31 130.82 1dxx h LEU 40 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1dxx h LEU 40 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1dxx h LEU 40 CO 0.58 0.11 -0.19 0.49 -0.34 0.00 0.00 178.44 179.09 1dxx n PHE 41 N -3.43 0.00 0.00 1.25 3.72 -1.26 -4.32 117.46 113.42 1dxx n PHE 41 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1dxx n PHE 41 Cb 0.27 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1dxx n PHE 41 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1dxx n SER 42 N -0.82 1.66 0.00 4.37 3.41 -1.05 -4.75 113.62 116.44 1dxx n SER 42 Ca 0.13 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1dxx n SER 42 Cb 0.31 0.23 0.24 0.00 -0.26 0.00 0.00 64.21 64.73 1dxx n SER 42 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dxx n ASP 43 N -0.79 0.00 -0.43 4.04 8.00 0.21 -1.78 116.55 125.79 1dxx n ASP 43 Ca 0.00 0.35 0.09 0.00 0.71 0.00 0.00 54.79 55.94 1dxx n ASP 43 Cb 0.10 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1dxx n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1dxx n LEU 44 N -1.41 1.81 0.04 0.64 4.77 -1.26 -4.68 117.00 116.90 1dxx n LEU 44 Ca 0.03 -0.79 0.03 0.00 -0.03 0.00 0.00 56.01 55.25 1dxx n LEU 44 Cb 0.10 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 1dxx n LEU 44 CO 0.09 0.34 1.04 1.56 -1.33 0.00 0.00 177.39 179.09 1dxx h GLN 45 N 2.12 0.44 -0.00 3.23 4.20 -1.56 -2.94 115.11 120.59 1dxx h GLN 45 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dxx h GLN 45 Cb 0.61 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1dxx h GLN 45 CO 0.00 0.39 -0.39 -0.40 -0.67 0.00 0.00 178.83 177.76 1dxx n ASP 46 N -4.39 0.64 0.00 1.46 5.68 -1.26 -4.30 116.55 114.38 1dxx n ASP 46 Ca 0.01 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1dxx n ASP 46 Cb 0.15 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1dxx n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dxx n GLY 47 N 1.44 1.49 0.06 6.12 0.00 -1.11 -4.07 105.19 109.12 1dxx n GLY 47 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1dxx n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dxx h ARG 48 N 3.06 0.06 -0.49 1.61 3.08 -1.91 -2.64 114.38 117.14 1dxx h ARG 48 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1dxx h ARG 48 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1dxx h ARG 48 CO 0.00 0.28 -0.02 0.00 -1.07 0.00 0.00 179.97 179.16 1dxx h ARG 49 N -0.17 0.84 -0.14 0.04 2.47 -1.90 -1.39 114.38 114.12 1dxx h ARG 49 Ca 0.01 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1dxx h ARG 49 Cb 0.25 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1dxx h ARG 49 CO 0.00 0.85 0.06 -0.07 0.56 0.00 0.00 179.97 181.38 1dxx h LEU 50 N 0.77 0.09 -0.43 3.04 3.38 -1.85 0.27 115.31 120.59 1dxx h LEU 50 Ca 0.15 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1dxx h LEU 50 Cb 0.49 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1dxx h LEU 50 CO 0.02 0.08 0.06 -0.07 0.09 0.00 0.00 178.44 178.62 1dxx h LEU 51 N 0.14 -0.05 -1.21 1.67 3.38 -1.04 -0.54 115.31 117.66 1dxx h LEU 51 Ca 0.06 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1dxx h LEU 51 Cb 0.02 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1dxx h LEU 51 CO -0.04 0.01 0.56 0.44 0.09 0.00 0.00 178.44 179.49 1dxx h ASP 52 N 0.18 0.86 -0.38 -0.43 3.32 -0.59 0.34 116.42 119.73 1dxx h ASP 52 Ca 0.21 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1dxx h ASP 52 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1dxx h ASP 52 CO -0.30 0.56 -0.12 0.25 -1.72 0.00 0.00 179.24 177.92 1dxx h LEU 53 N 0.98 0.82 -1.20 1.55 5.85 0.98 -2.84 115.31 121.45 1dxx h LEU 53 Ca 0.36 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1dxx h LEU 53 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1dxx h LEU 53 CO -0.12 0.95 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.63 1dxx h LEU 54 N 0.75 0.26 0.69 2.25 3.38 0.20 -1.76 115.31 121.08 1dxx h LEU 54 Ca 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1dxx h LEU 54 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dxx h LEU 54 CO 0.04 0.50 -0.40 -0.33 0.09 0.00 0.00 178.44 178.34 1dxx h GLU 55 N 0.24 -0.98 -0.41 1.13 5.08 -0.75 0.52 114.58 119.41 1dxx h GLU 55 Ca 0.04 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1dxx h GLU 55 Cb 0.54 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1dxx h GLU 55 CO 0.04 -0.66 0.27 0.78 -1.00 0.00 0.00 179.01 178.44 1dxx h GLY 56 N -1.02 0.56 0.46 -3.84 0.00 -1.41 0.25 103.07 98.06 1dxx h GLY 56 Ca -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1dxx h GLY 56 CO 0.10 0.20 -0.09 1.41 0.00 0.00 0.00 176.54 178.16 1dxx h LEU 57 N 0.53 -0.20 0.11 3.11 3.38 -0.76 -3.39 115.31 118.08 1dxx h LEU 57 Ca 0.15 -0.33 -0.30 0.00 0.09 0.00 0.00 57.88 57.50 1dxx h LEU 57 Cb -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dxx h LEU 57 CO -0.03 0.29 -1.50 0.71 0.09 0.00 0.00 178.44 178.00 1dxx h THR 58 N -0.79 1.18 0.00 0.22 1.35 0.38 -3.49 112.91 111.77 1dxx h THR 58 Ca -0.02 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.00 1dxx h THR 58 Cb 0.52 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1dxx h THR 58 CO 0.04 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1dxx n GLY 59 N 1.64 3.24 3.69 5.82 0.00 0.04 -5.07 105.19 114.56 1dxx n GLY 59 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1dxx n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dxx s GLN 60 N -0.64 0.83 -0.19 1.61 -0.21 -1.26 -5.01 119.66 114.78 1dxx s GLN 60 Ca 0.00 0.69 -0.04 0.00 0.02 0.00 0.00 55.36 56.03 1dxx s GLN 60 Cb 0.00 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 1dxx s GLN 60 CO 0.00 -2.50 -0.03 -1.59 -2.12 0.00 0.00 175.29 169.05 1dxx s LYS 61 N -4.93 3.55 -0.49 2.91 0.00 -1.26 -4.59 119.74 114.92 1dxx s LYS 61 Ca 0.64 -0.56 0.01 0.00 0.00 0.00 0.00 55.97 56.07 1dxx s LYS 61 Cb -0.18 -3.00 0.13 0.00 0.00 0.00 0.00 37.83 34.78 1dxx s LYS 61 CO 0.57 0.02 0.26 -0.51 0.00 0.00 0.00 175.35 175.69 1dxx s LEU 62 N 0.95 4.82 0.28 2.77 1.43 -1.26 -5.07 118.68 122.60 1dxx s LEU 62 Ca 0.00 -2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 50.17 1dxx s LEU 62 Cb -0.14 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.22 1dxx s LEU 62 CO 0.01 -0.35 1.29 -2.65 0.23 0.00 0.00 176.35 174.88 1dxx n PRO 63 N 3.69 1.91 -4.77 1.29 -0.02 -1.26 -4.93 135.00 130.91 1dxx n PRO 63 Ca 0.04 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 1dxx n PRO 63 Cb 0.37 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 1dxx n PRO 63 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1dxx s LYS 64 N -1.11 2.48 0.50 -0.52 -2.85 -1.26 -5.04 119.74 111.95 1dxx s LYS 64 Ca 0.62 -0.72 -0.19 0.00 -1.00 0.00 0.00 55.97 54.69 1dxx s LYS 64 Cb -0.64 -2.40 -0.08 0.00 -2.06 0.00 0.00 37.83 32.66 1dxx s LYS 64 CO 0.56 0.62 1.02 -1.21 0.10 0.00 0.00 175.35 176.44 1dxx s GLU 65 N -0.92 3.79 0.00 1.78 2.02 -1.26 -5.03 118.70 119.08 1dxx s GLU 65 Ca 0.13 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1dxx s GLU 65 Cb -0.11 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1dxx s GLU 65 CO 0.02 -0.42 0.00 1.63 0.02 0.00 0.00 175.26 176.51 1dxx n LYS 66 N -1.17 0.00 -0.95 1.61 4.76 -1.26 -4.96 118.16 116.19 1dxx n LYS 66 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1dxx n LYS 66 Cb 0.53 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1dxx n LYS 66 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dxx n GLY 67 N 0.00 0.00 0.00 0.72 0.00 -1.26 -4.88 105.19 99.77 1dxx n GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1dxx n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dxx n SER 68 N -0.33 0.87 -4.85 1.61 3.41 -1.26 -4.90 113.62 108.17 1dxx n SER 68 Ca 0.00 -0.48 -0.35 0.00 -0.26 0.00 0.00 58.87 57.78 1dxx n SER 68 Cb 0.00 1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.92 1dxx n SER 68 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1dxx s THR 69 N -1.48 4.98 0.19 6.66 2.01 -1.26 -4.98 115.64 121.76 1dxx s THR 69 Ca 0.01 0.68 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 1dxx s THR 69 Cb 0.03 -3.70 0.16 0.00 0.01 0.00 0.00 72.50 69.00 1dxx s THR 69 CO 0.14 0.32 1.63 -0.09 -0.69 0.00 0.00 174.62 175.93 1dxx h ARG 70 N 3.81 -0.05 -0.63 4.92 2.43 -1.99 -1.43 114.38 121.45 1dxx h ARG 70 Ca -0.49 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1dxx h ARG 70 Cb 1.20 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1dxx h ARG 70 CO 0.65 -0.03 -0.40 0.28 -1.51 0.00 0.00 179.97 178.96 1dxx h VAL 71 N -0.05 0.11 -0.83 0.20 2.07 -1.99 0.34 116.25 116.09 1dxx h VAL 71 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1dxx h VAL 71 Cb 0.43 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1dxx h VAL 71 CO -0.56 0.00 0.53 0.45 0.02 0.00 0.00 177.57 178.01 1dxx h HIS 72 N -0.18 1.07 -0.02 1.57 3.86 -1.76 -1.48 115.15 118.22 1dxx h HIS 72 Ca 0.21 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 1dxx h HIS 72 Cb 0.56 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1dxx h HIS 72 CO -0.70 0.70 -0.22 0.00 0.86 0.00 0.00 177.93 178.56 1dxx h ALA 73 N 1.44 -0.27 -0.24 2.45 0.00 0.59 -0.56 119.26 122.67 1dxx h ALA 73 Ca 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1dxx h ALA 73 Cb -0.09 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dxx h ALA 73 CO -0.06 -0.71 0.02 -0.07 0.00 0.00 0.00 179.25 178.43 1dxx h LEU 74 N -0.34 0.31 -0.06 0.00 3.38 -0.68 -0.36 115.31 117.57 1dxx h LEU 74 Ca 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1dxx h LEU 74 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dxx h LEU 74 CO -0.22 0.36 -0.03 0.78 0.09 0.00 0.00 178.44 179.42 1dxx h ASN 75 N 0.34 0.13 -1.00 -0.43 2.35 -0.40 0.18 115.58 116.75 1dxx h ASN 75 Ca 0.08 -0.43 0.22 0.00 -0.55 0.00 0.00 56.30 55.62 1dxx h ASN 75 Cb 0.20 -0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.43 1dxx h ASN 75 CO 0.00 0.52 0.62 0.78 -1.65 0.00 0.00 177.43 177.70 1dxx h ASN 76 N -0.27 0.67 0.48 5.81 2.35 -0.87 0.14 115.58 123.89 1dxx h ASN 76 Ca 0.01 0.10 -0.30 0.00 -0.55 0.00 0.00 56.30 55.56 1dxx h ASN 76 Cb 0.48 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1dxx h ASN 76 CO 0.01 0.19 -1.48 0.58 -1.65 0.00 0.00 177.43 175.08 1dxx h VAL 77 N 0.63 1.21 -0.70 2.81 2.07 -0.81 -2.86 116.25 118.60 1dxx h VAL 77 Ca 0.59 -2.84 0.02 0.00 0.82 0.00 0.00 66.70 65.28 1dxx h VAL 77 Cb 1.10 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.63 1dxx h VAL 77 CO -0.37 0.83 0.46 0.78 0.02 0.00 0.00 177.57 179.29 1dxx h ASN 78 N 0.07 0.78 -0.23 0.57 2.35 0.03 0.44 115.58 119.58 1dxx h ASN 78 Ca -0.22 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 1dxx h ASN 78 Cb 2.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.18 1dxx h ASN 78 CO 0.17 0.55 -0.33 0.50 -1.65 0.00 0.00 177.43 176.67 1dxx h LYS 79 N 0.91 0.75 -0.06 0.81 1.63 -1.02 0.55 116.57 120.14 1dxx h LYS 79 Ca 0.26 -0.36 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 1dxx h LYS 79 Cb -0.05 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1dxx h LYS 79 CO -0.06 0.97 -0.58 0.00 -3.45 0.00 0.00 179.45 176.33 1dxx h ALA 80 N 0.99 0.91 -0.34 5.00 0.00 -1.06 -0.26 119.26 124.49 1dxx h ALA 80 Ca 0.07 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1dxx h ALA 80 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1dxx h ALA 80 CO 0.08 0.72 -0.34 -0.07 0.00 0.00 0.00 179.25 179.63 1dxx h LEU 81 N 0.14 0.81 -0.53 0.00 3.38 0.38 0.27 115.31 119.77 1dxx h LEU 81 Ca -0.00 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1dxx h LEU 81 Cb 1.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1dxx h LEU 81 CO 0.09 1.08 0.15 0.03 0.09 0.00 0.00 178.44 179.87 1dxx h ARG 82 N 0.65 0.84 -0.38 1.13 3.08 -0.50 0.48 114.38 119.68 1dxx h ARG 82 Ca 0.07 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1dxx h ARG 82 Cb 0.88 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1dxx h ARG 82 CO 0.08 0.78 0.23 0.28 -1.07 0.00 0.00 179.97 180.27 1dxx h VAL 83 N 0.74 1.05 -0.36 2.04 2.07 -0.79 0.23 116.25 121.24 1dxx h VAL 83 Ca 0.17 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1dxx h VAL 83 Cb 0.31 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1dxx h VAL 83 CO -0.00 0.09 0.17 -0.07 0.02 0.00 0.00 177.57 177.78 1dxx h LEU 84 N 0.47 0.47 -1.19 2.57 3.38 0.18 -1.68 115.31 119.51 1dxx h LEU 84 Ca 0.15 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1dxx h LEU 84 Cb -0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1dxx h LEU 84 CO -0.06 0.46 0.59 -0.61 0.09 0.00 0.00 178.44 178.90 1dxx h GLN 85 N 0.44 0.82 0.00 1.13 4.15 0.67 0.76 115.11 123.08 1dxx h GLN 85 Ca 0.12 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1dxx h GLN 85 Cb 0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1dxx h GLN 85 CO -0.02 0.54 -0.27 -0.91 -1.93 0.00 0.00 178.83 176.25 1dxx h ASN 86 N 0.84 0.00 -0.17 -0.69 2.35 0.27 -1.47 115.58 116.71 1dxx h ASN 86 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1dxx h ASN 86 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1dxx h ASN 86 CO -0.20 0.27 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 1dxx n ASN 87 N -3.60 1.64 -0.93 5.81 3.02 0.18 -4.92 115.26 116.45 1dxx n ASN 87 Ca -0.01 -1.71 -0.09 0.00 -0.03 0.00 0.00 54.58 52.74 1dxx n ASN 87 Cb 0.40 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1dxx n ASN 87 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dxx n ASN 88 N 0.31 -3.24 -4.74 6.41 3.02 -0.55 -5.00 115.26 111.47 1dxx n ASN 88 Ca 0.16 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 1dxx n ASN 88 Cb 0.32 -2.34 -0.05 0.00 -0.61 0.00 0.00 39.78 37.11 1dxx n ASN 88 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dxx s VAL 89 N -2.41 4.45 0.13 2.41 1.01 -0.94 -4.98 120.40 120.07 1dxx s VAL 89 Ca 0.00 1.98 -0.32 0.00 0.00 0.00 0.00 61.98 63.64 1dxx s VAL 89 Cb 0.00 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 1dxx s VAL 89 CO 0.00 0.37 1.77 -0.67 0.00 0.00 0.00 175.10 176.57 1dxx n ASP 90 N 2.49 3.82 -0.04 3.32 2.03 -1.26 -4.67 116.55 122.25 1dxx n ASP 90 Ca 0.00 1.02 0.01 0.00 0.52 0.00 0.00 54.79 56.34 1dxx n ASP 90 Cb 0.49 -1.52 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 1dxx n ASP 90 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dxx n LEU 91 N 4.98 0.99 -4.64 -2.67 4.77 -1.26 -4.87 117.00 114.31 1dxx n LEU 91 Ca 0.18 -1.10 -0.48 0.00 -0.03 0.00 0.00 56.01 54.58 1dxx n LEU 91 Cb 0.35 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1dxx n LEU 91 CO 0.66 0.27 1.06 0.52 -1.33 0.00 0.00 177.39 178.57 1dxx n VAL 92 N -0.30 0.16 -1.30 4.08 0.31 -1.26 -0.58 118.33 119.43 1dxx n VAL 92 Ca 0.01 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1dxx n VAL 92 Cb 0.42 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.03 1dxx n VAL 92 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1dxx n ASN 93 N 2.92 -4.74 -4.19 4.52 3.02 -1.26 -5.00 115.26 110.53 1dxx n ASN 93 Ca 0.17 0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.61 1dxx n ASN 93 Cb 0.26 -3.16 -0.12 0.00 -0.61 0.00 0.00 39.78 36.15 1dxx n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dxx s ILE 94 N -2.23 3.46 0.47 2.41 1.01 0.25 -5.05 121.20 121.53 1dxx s ILE 94 Ca 0.00 -1.58 0.08 0.00 0.00 0.00 0.00 60.65 59.15 1dxx s ILE 94 Cb 0.00 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1dxx s ILE 94 CO 0.00 -0.40 0.55 -0.83 0.00 0.00 0.00 174.94 174.26 1dxx s GLY 95 N 1.64 2.01 0.42 6.18 0.00 -1.26 -4.99 107.32 111.31 1dxx s GLY 95 Ca 0.02 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.11 1dxx s GLY 95 CO -0.01 -1.66 1.88 1.48 0.00 0.00 0.00 173.10 174.79 1dxx h SER 96 N 0.65 0.00 -0.62 1.64 4.64 -1.94 -2.89 113.55 115.04 1dxx h SER 96 Ca -0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1dxx h SER 96 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1dxx h SER 96 CO 0.49 0.29 0.13 0.71 -0.87 0.00 0.00 176.83 177.58 1dxx h THR 97 N 0.00 1.26 -0.88 2.95 1.35 -1.96 0.40 112.91 116.02 1dxx h THR 97 Ca -0.00 -0.96 0.08 0.00 -0.55 0.00 0.00 66.41 64.98 1dxx h THR 97 Cb 0.60 0.69 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 1dxx h THR 97 CO 0.04 0.36 0.57 0.44 -0.25 0.00 0.00 175.52 176.68 1dxx h ASP 98 N 0.91 0.83 0.14 5.36 3.32 -1.91 0.92 116.42 125.99 1dxx h ASP 98 Ca 0.19 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.00 1dxx h ASP 98 Cb 0.39 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.79 1dxx h ASP 98 CO 0.01 0.51 -1.24 0.40 -1.72 0.00 0.00 179.24 177.20 1dxx h ILE 99 N 0.93 1.21 -0.42 0.35 1.08 -1.10 -1.26 117.51 118.30 1dxx h ILE 99 Ca 0.40 -2.48 -0.13 0.00 -0.39 0.00 0.00 64.86 62.26 1dxx h ILE 99 Cb 0.32 2.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 1dxx h ILE 99 CO -0.16 0.73 -0.23 0.58 -0.69 0.00 0.00 178.15 178.38 1dxx h VAL 100 N -0.26 1.28 -0.02 1.67 2.07 0.28 -2.74 116.25 118.53 1dxx h VAL 100 Ca -0.25 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1dxx h VAL 100 Cb 1.78 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1dxx h VAL 100 CO 0.12 0.47 0.00 0.47 0.02 0.00 0.00 177.57 178.65 1dxx n ASP 101 N -4.17 0.31 -3.07 0.57 8.00 0.31 -4.86 116.55 113.64 1dxx n ASP 101 Ca -0.01 -2.01 -0.01 0.00 0.71 0.00 0.00 54.79 53.47 1dxx n ASP 101 Cb 0.46 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1dxx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dxx n GLY 102 N 0.43 -1.24 3.35 0.44 0.00 -1.03 -4.96 105.19 102.17 1dxx n GLY 102 Ca 0.01 0.53 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 1dxx n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxx s ASN 103 N -2.97 5.96 0.34 1.61 3.84 -0.48 -4.95 114.94 118.29 1dxx s ASN 103 Ca 0.02 -1.38 0.06 0.00 0.21 0.00 0.00 52.86 51.76 1dxx s ASN 103 Cb -0.00 -2.11 0.62 0.00 -0.55 0.00 0.00 41.25 39.20 1dxx s ASN 103 CO 0.76 -0.60 1.86 1.12 -2.79 0.00 0.00 177.10 177.44 1dxx h HIS 104 N 8.63 0.45 0.20 0.43 2.07 -1.93 0.01 115.15 125.01 1dxx h HIS 104 Ca -0.26 -0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.19 1dxx h HIS 104 Cb 1.10 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.96 1dxx h HIS 104 CO 0.63 0.51 -0.10 -0.22 -3.07 0.00 0.00 177.93 175.69 1dxx h LYS 105 N 0.40 -0.26 0.00 5.12 3.64 -1.97 0.17 116.57 123.68 1dxx h LYS 105 Ca 0.08 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1dxx h LYS 105 Cb 0.41 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1dxx h LYS 105 CO 0.02 -0.05 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.68 1dxx h LEU 106 N -0.43 0.00 -0.20 5.20 3.38 -1.90 -0.28 115.31 121.08 1dxx h LEU 106 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1dxx h LEU 106 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1dxx h LEU 106 CO 0.04 0.41 -0.22 0.74 0.09 0.00 0.00 178.44 179.50 1dxx h THR 107 N 0.00 1.33 -0.61 0.22 2.02 -0.75 0.52 112.91 115.65 1dxx h THR 107 Ca -0.00 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 1dxx h THR 107 Cb 0.83 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1dxx h THR 107 CO 0.05 0.43 0.35 -0.07 0.37 0.00 0.00 175.52 176.65 1dxx h LEU 108 N 0.16 0.74 -0.55 2.58 3.38 -0.19 -2.03 115.31 119.40 1dxx h LEU 108 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1dxx h LEU 108 Cb 0.78 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1dxx h LEU 108 CO 0.05 0.59 0.18 1.23 0.09 0.00 0.00 178.44 180.58 1dxx h GLY 109 N 0.90 0.91 0.86 0.83 0.00 -0.73 0.18 103.07 106.01 1dxx h GLY 109 Ca 0.22 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1dxx h GLY 109 CO -0.04 0.50 -0.12 -2.00 0.00 0.00 0.00 176.54 174.88 1dxx h LEU 110 N 0.76 -0.28 -0.77 3.11 5.85 -0.64 0.23 115.31 123.57 1dxx h LEU 110 Ca 0.18 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1dxx h LEU 110 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1dxx h LEU 110 CO -0.01 -0.07 0.50 0.40 -0.34 0.00 0.00 178.44 178.92 1dxx h ILE 111 N -0.47 1.15 -0.64 4.05 1.08 -1.25 -0.03 117.51 121.39 1dxx h ILE 111 Ca -0.03 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1dxx h ILE 111 Cb 0.36 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1dxx h ILE 111 CO 0.05 0.18 0.40 -0.25 -0.69 0.00 0.00 178.15 177.85 1dxx h TRP 112 N 1.00 0.76 -0.51 1.37 -0.00 -0.23 -0.25 115.95 118.08 1dxx h TRP 112 Ca 0.30 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.17 1dxx h TRP 112 Cb -0.05 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 28.84 1dxx h TRP 112 CO -0.03 0.44 0.16 -0.91 -0.00 0.00 0.00 178.44 178.11 1dxx h ASN 113 N 0.80 0.69 -0.50 2.65 2.35 0.12 0.76 115.58 122.44 1dxx h ASN 113 Ca 0.26 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1dxx h ASN 113 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1dxx h ASN 113 CO -0.10 0.65 -0.19 0.40 -1.65 0.00 0.00 177.43 176.54 1dxx h ILE 114 N 0.73 1.27 -0.39 2.81 2.04 -0.57 -1.37 117.51 122.03 1dxx h ILE 114 Ca 0.17 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1dxx h ILE 114 Cb 0.21 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1dxx h ILE 114 CO -0.01 0.47 0.16 0.40 0.00 0.00 0.00 178.15 179.17 1dxx h ILE 115 N 0.88 1.19 -0.27 -0.67 2.04 -0.43 -1.51 117.51 118.74 1dxx h ILE 115 Ca 0.12 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1dxx h ILE 115 Cb 0.77 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1dxx h ILE 115 CO 0.06 0.21 0.16 0.25 0.00 0.00 0.00 178.15 178.84 1dxx h LEU 116 N 0.48 0.27 0.45 1.44 5.85 -0.76 0.56 115.31 123.60 1dxx h LEU 116 Ca 0.13 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1dxx h LEU 116 Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1dxx h LEU 116 CO -0.01 0.20 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.16 1dxx h HIS 117 N 0.34 -1.06 -0.01 1.25 2.76 -1.11 0.21 115.15 117.53 1dxx h HIS 117 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1dxx h HIS 117 Cb -0.01 0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1dxx h HIS 117 CO -0.07 -0.53 0.00 0.91 -1.30 0.00 0.00 177.93 176.94 1dxx n TRP 118 N -4.77 0.00 0.00 5.26 8.01 -0.58 -4.26 117.44 121.10 1dxx n TRP 118 Ca -0.10 -0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1dxx n TRP 118 Cb 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 1dxx n TRP 118 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1dxx n GLN 119 N -0.24 0.00 -0.24 -0.99 7.27 0.13 -4.85 117.38 118.47 1dxx n GLN 119 Ca 0.21 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.45 1dxx n GLN 119 Cb 0.27 -0.00 0.48 0.00 2.41 0.00 0.00 30.24 33.40 1dxx n GLN 119 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1dxx h VAL 120 N 0.00 0.73 -0.23 1.69 2.07 -1.40 0.59 116.25 119.70 1dxx h VAL 120 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1dxx h VAL 120 Cb 0.00 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1dxx h VAL 120 CO 0.00 0.09 0.00 0.29 0.02 0.00 0.00 177.57 177.97 1dxx n LYS 121 N -4.53 1.94 0.15 1.57 5.02 0.74 -3.29 118.16 119.76 1dxx n LYS 121 Ca 0.18 -1.00 0.07 0.00 -2.02 0.00 0.00 58.31 55.54 1dxx n LYS 121 Cb 0.62 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 34.23 1dxx n LYS 121 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1dxx h ASN 122 N 1.46 0.00 0.28 4.39 2.35 -0.06 -2.88 115.58 121.11 1dxx h ASN 122 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dxx h ASN 122 Cb 0.65 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 1dxx h ASN 122 CO 0.08 0.26 -0.48 0.58 -1.65 0.00 0.00 177.43 176.21 1dxx h VAL 123 N 0.00 0.06 -0.13 2.81 2.07 -1.70 0.33 116.25 119.70 1dxx h VAL 123 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1dxx h VAL 123 Cb 1.22 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1dxx h VAL 123 CO 0.03 0.00 -0.08 -0.03 0.02 0.00 0.00 177.57 177.51 1dxx h MET 124 N -0.83 0.19 -0.18 1.57 1.85 -1.81 -2.35 114.93 113.37 1dxx h MET 124 Ca -0.02 -0.03 -0.17 0.00 -0.61 0.00 0.00 59.70 58.86 1dxx h MET 124 Cb 0.78 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.78 1dxx h MET 124 CO -0.18 0.28 -0.60 0.87 -0.40 0.00 0.00 176.91 176.88 1dxx h LYS 125 N 0.18 0.59 -0.08 0.39 1.57 -1.11 -2.72 116.57 115.39 1dxx h LYS 125 Ca 0.04 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 1dxx h LYS 125 Cb 0.26 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1dxx h LYS 125 CO 0.01 1.01 -0.41 -0.91 -0.57 0.00 0.00 179.45 178.59 1dxx h ASN 126 N 0.44 0.18 0.48 0.86 4.21 0.07 -2.04 115.58 119.78 1dxx h ASN 126 Ca -0.00 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.41 1dxx h ASN 126 Cb 1.16 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1dxx h ASN 126 CO 0.11 0.57 -0.23 0.40 -1.29 0.00 0.00 177.43 177.00 1dxx h ILE 127 N 0.14 0.44 -0.98 2.81 1.08 -1.41 -1.67 117.51 117.92 1dxx h ILE 127 Ca 0.01 -0.40 0.16 0.00 -0.39 0.00 0.00 64.86 64.23 1dxx h ILE 127 Cb 0.79 0.59 -0.10 0.00 -3.07 0.00 0.00 36.82 35.03 1dxx h ILE 127 CO 0.06 0.06 0.60 0.24 -0.69 0.00 0.00 178.15 178.42 1dxx h MET 128 N -0.91 0.82 0.00 2.37 2.86 -1.45 0.49 114.93 119.11 1dxx h MET 128 Ca -0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1dxx h MET 128 Cb 0.59 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1dxx h MET 128 CO 0.11 0.54 -0.07 0.00 1.06 0.00 0.00 176.91 178.55 1dxx h ALA 129 N 1.59 1.36 0.00 6.32 0.00 -1.29 -2.72 119.26 124.52 1dxx h ALA 129 Ca 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1dxx h ALA 129 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1dxx h ALA 129 CO -0.33 0.08 -0.01 0.78 0.00 0.00 0.00 179.25 179.77 1dxx h GLY 130 N 0.50 0.01 -0.91 0.00 0.00 0.92 -3.27 103.07 100.31 1dxx h GLY 130 Ca -0.00 -0.01 0.29 0.00 0.00 0.00 0.00 47.33 47.60 1dxx h GLY 130 CO 0.01 0.01 0.13 1.41 0.00 0.00 0.00 176.54 178.10 1dxx h LEU 131 N -0.89 -0.31 -2.23 3.11 3.38 -1.06 0.26 115.31 117.57 1dxx h LEU 131 Ca -0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1dxx h LEU 131 Cb 0.91 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1dxx h LEU 131 CO 0.00 -0.35 0.00 1.56 0.09 0.00 0.00 178.44 179.74 1dxx h GLN 132 N 0.03 0.00 -0.05 1.13 1.08 -1.54 0.15 115.11 115.91 1dxx h GLN 132 Ca 0.63 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.83 1dxx h GLN 132 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1dxx h GLN 132 CO -0.87 0.00 0.00 0.94 -0.95 0.00 0.00 178.83 177.95 1dxx n GLN 133 N -2.96 1.73 -5.02 1.46 0.00 0.91 -4.91 117.38 108.59 1dxx n GLN 133 Ca -0.01 -1.06 -0.30 0.00 -0.00 0.00 0.00 57.00 55.63 1dxx n GLN 133 Cb 0.15 -1.46 -0.15 0.00 0.00 0.00 0.00 30.24 28.78 1dxx n GLN 133 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1dxx s THR 134 N -1.96 1.99 0.51 1.69 -1.32 0.53 -5.13 115.64 111.96 1dxx s THR 134 Ca 0.36 -1.22 0.09 0.00 -1.21 0.00 0.00 61.69 59.72 1dxx s THR 134 Cb 0.20 -1.69 0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1dxx s THR 134 CO 0.32 0.43 0.68 0.54 -2.21 0.00 0.00 174.62 174.38 1dxx s ASN 135 N -0.94 5.27 0.17 8.08 4.22 -1.26 -4.92 114.94 125.55 1dxx s ASN 135 Ca 0.10 -0.72 -0.10 0.00 -2.14 0.00 0.00 52.86 50.00 1dxx s ASN 135 Cb -0.10 -0.06 0.04 0.00 1.28 0.00 0.00 41.25 42.41 1dxx s ASN 135 CO 0.01 -1.10 1.61 0.28 -2.04 0.00 0.00 177.10 175.86 1dxx h SER 136 N 0.40 1.01 -0.09 3.54 0.02 -1.99 -2.45 113.55 113.99 1dxx h SER 136 Ca -0.34 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.32 1dxx h SER 136 Cb 1.29 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 1dxx h SER 136 CO 0.44 1.10 -0.36 -0.08 -1.14 0.00 0.00 176.83 176.78 1dxx h GLU 137 N 0.90 -0.45 -0.87 3.45 4.81 -1.98 0.34 114.58 120.77 1dxx h GLU 137 Ca 0.15 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1dxx h GLU 137 Cb 0.61 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1dxx h GLU 137 CO 0.04 -0.30 0.45 0.87 -0.73 0.00 0.00 179.01 179.34 1dxx h LYS 138 N -0.46 1.23 -0.43 1.92 6.56 -1.97 0.20 116.57 123.62 1dxx h LYS 138 Ca 0.08 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.45 1dxx h LYS 138 Cb 0.59 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 1dxx h LYS 138 CO -0.35 0.92 0.06 0.82 -2.06 0.00 0.00 179.45 178.85 1dxx h ILE 139 N 1.23 1.25 -0.04 1.86 2.04 -0.69 -1.85 117.51 121.30 1dxx h ILE 139 Ca 0.30 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1dxx h ILE 139 Cb 0.07 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1dxx h ILE 139 CO -0.04 0.31 -0.09 0.25 0.00 0.00 0.00 178.15 178.58 1dxx h LEU 140 N 0.58 -0.27 -0.34 1.44 5.85 0.44 0.05 115.31 123.06 1dxx h LEU 140 Ca 0.13 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1dxx h LEU 140 Cb 0.39 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1dxx h LEU 140 CO 0.01 -0.13 -0.14 0.25 -0.34 0.00 0.00 178.44 178.10 1dxx h LEU 141 N -0.13 -0.47 -0.47 2.25 5.85 -0.50 0.14 115.31 121.99 1dxx h LEU 141 Ca 0.05 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1dxx h LEU 141 Cb 0.20 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1dxx h LEU 141 CO -0.12 -0.17 0.25 0.28 -0.34 0.00 0.00 178.44 178.33 1dxx h SER 142 N -0.07 0.37 -0.79 1.25 0.02 -0.83 -0.78 113.55 112.71 1dxx h SER 142 Ca 0.17 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1dxx h SER 142 Cb 0.33 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1dxx h SER 142 CO -0.39 0.26 0.47 -0.25 -1.14 0.00 0.00 176.83 175.78 1dxx h TRP 143 N 0.49 1.05 -0.02 3.45 7.01 0.29 0.58 115.95 128.80 1dxx h TRP 143 Ca 0.20 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1dxx h TRP 143 Cb 0.08 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 1dxx h TRP 143 CO -0.09 0.70 0.01 0.28 -2.79 0.00 0.00 178.44 176.55 1dxx h VAL 144 N 1.10 1.10 -0.30 2.65 2.07 0.64 0.11 116.25 123.63 1dxx h VAL 144 Ca 0.29 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1dxx h VAL 144 Cb -0.03 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1dxx h VAL 144 CO -0.05 0.08 0.18 0.03 0.02 0.00 0.00 177.57 177.83 1dxx h ARG 145 N -0.09 0.36 -0.01 1.57 3.08 -1.16 0.22 114.38 118.35 1dxx h ARG 145 Ca 0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1dxx h ARG 145 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1dxx h ARG 145 CO -0.00 0.24 0.00 1.96 -1.07 0.00 0.00 179.97 181.10 1dxx h GLN 146 N 0.37 0.01 -0.97 0.04 4.20 -0.71 -1.09 115.11 116.96 1dxx h GLN 146 Ca 0.11 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.00 1dxx h GLN 146 Cb -0.01 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.68 1dxx h GLN 146 CO -0.05 0.27 0.61 0.77 -0.67 0.00 0.00 178.83 179.76 1dxx h SER 147 N -0.24 0.68 -0.68 1.46 0.02 -0.42 -2.69 113.55 111.68 1dxx h SER 147 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1dxx h SER 147 Cb 0.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1dxx h SER 147 CO 0.00 0.28 0.00 0.35 -1.14 0.00 0.00 176.83 176.32 1dxx n THR 148 N -4.65 1.35 -0.15 -2.27 -2.24 0.73 -4.61 114.28 102.43 1dxx n THR 148 Ca 0.21 -1.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.09 1dxx n THR 148 Cb 0.58 0.30 0.49 0.00 -2.10 0.00 0.00 70.33 69.60 1dxx n THR 148 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1dxx h ARG 149 N 4.11 0.43 -0.65 -0.78 3.08 -0.85 -2.17 114.38 117.55 1dxx h ARG 149 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dxx h ARG 149 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1dxx h ARG 149 CO 0.11 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.38 1dxx n ASN 150 N -4.48 3.36 -4.03 7.04 3.02 -1.26 -4.69 115.26 114.22 1dxx n ASN 150 Ca 0.13 -2.37 -0.33 0.00 -0.03 0.00 0.00 54.58 51.98 1dxx n ASN 150 Cb 0.48 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 1dxx n ASN 150 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1dxx s TYR 151 N -1.84 3.42 0.47 3.10 1.51 -0.82 -4.99 117.35 118.20 1dxx s TYR 151 Ca 0.32 -2.89 0.41 0.00 -1.01 0.00 0.00 57.07 53.90 1dxx s TYR 151 Cb 0.22 -3.02 2.08 0.00 -0.11 0.00 0.00 41.96 41.13 1dxx s TYR 151 CO 0.13 -0.84 2.24 -1.00 -1.11 0.00 0.00 175.55 174.97 1dxx h PRO 152 N 7.09 0.00 0.00 -1.71 0.13 -1.83 -2.01 132.00 133.67 1dxx h PRO 152 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1dxx h PRO 152 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1dxx h PRO 152 CO 0.67 0.00 -0.10 1.04 -0.23 0.00 0.00 178.00 179.38 1dxx n GLN 153 N -3.06 0.06 -4.26 0.86 3.00 -1.26 -4.79 117.38 107.93 1dxx n GLN 153 Ca -0.02 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1dxx n GLN 153 Cb 0.14 -1.56 -0.11 0.00 0.00 0.00 0.00 30.24 28.71 1dxx n GLN 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1dxx s VAL 154 N -3.02 4.26 -0.34 5.09 1.01 -0.76 -4.92 120.40 121.72 1dxx s VAL 154 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1dxx s VAL 154 Cb 0.17 -2.88 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1dxx s VAL 154 CO 0.57 0.49 0.21 0.21 0.00 0.00 0.00 175.10 176.59 1dxx s ASN 155 N 0.23 2.91 -0.24 3.32 3.04 -1.26 -4.87 114.94 118.07 1dxx s ASN 155 Ca 0.00 -1.98 -0.26 0.00 0.04 0.00 0.00 52.86 50.66 1dxx s ASN 155 Cb -0.13 -0.31 -0.00 0.00 -1.54 0.00 0.00 41.25 39.27 1dxx s ASN 155 CO 0.02 -0.33 0.88 -0.69 -3.04 0.00 0.00 177.10 173.94 1dxx s VAL 156 N 1.28 4.79 0.00 -5.21 1.01 -1.26 -4.87 120.40 116.14 1dxx s VAL 156 Ca 0.16 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1dxx s VAL 156 Cb -0.21 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1dxx s VAL 156 CO -0.06 -0.11 0.47 2.30 0.00 0.00 0.00 175.10 177.70 1dxx n ILE 157 N 5.29 0.20 -3.80 2.22 -5.35 -1.26 -4.81 119.36 111.84 1dxx n ILE 157 Ca 0.07 -0.41 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 1dxx n ILE 157 Cb 0.47 1.16 0.01 0.00 -1.74 0.00 0.00 39.64 39.54 1dxx n ILE 157 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1dxx n ASN 158 N -0.10 -1.84 -1.25 7.28 0.23 -1.26 -5.01 115.26 113.31 1dxx n ASN 158 Ca 0.00 -2.53 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 1dxx n ASN 158 Cb 0.18 3.14 0.25 0.00 -2.08 0.00 0.00 39.78 41.27 1dxx n ASN 158 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1dxx n PHE 159 N -0.50 1.37 0.00 -2.53 3.72 -1.26 -4.48 117.46 113.78 1dxx n PHE 159 Ca -0.06 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.14 1dxx n PHE 159 Cb 0.54 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1dxx n PHE 159 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dxx n THR 160 N -0.66 0.00 0.33 4.37 -2.24 -1.26 -4.18 114.28 110.63 1dxx n THR 160 Ca 0.30 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.27 1dxx n THR 160 Cb 1.07 0.00 0.96 0.00 -2.10 0.00 0.00 70.33 70.26 1dxx n THR 160 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1dxx h THR 161 N 0.00 0.02 0.00 4.28 1.35 -1.89 -0.98 112.91 115.69 1dxx h THR 161 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dxx h THR 161 Cb 0.00 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1dxx h THR 161 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 1dxx n SER 162 N -3.00 0.00 -0.13 5.36 7.64 -1.26 -2.84 113.62 119.38 1dxx n SER 162 Ca -0.02 -0.20 0.02 0.00 1.01 0.00 0.00 58.87 59.68 1dxx n SER 162 Cb 0.27 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1dxx n SER 162 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1dxx n TRP 163 N -1.10 0.00 0.08 1.43 7.02 -0.37 -4.66 117.44 119.84 1dxx n TRP 163 Ca 0.08 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.44 1dxx n TRP 163 Cb 0.06 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 1dxx n TRP 163 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1dxx h SER 164 N 0.66 -0.46 0.00 -0.99 0.02 -1.67 -1.96 113.55 109.14 1dxx h SER 164 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1dxx h SER 164 Cb 0.16 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1dxx h SER 164 CO 0.00 -0.23 0.00 -0.90 -1.14 0.00 0.00 176.83 174.56 1dxx n ASP 165 N -5.29 0.00 0.00 3.07 5.68 -1.26 -4.41 116.55 114.34 1dxx n ASP 165 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1dxx n ASP 165 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1dxx n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dxx n GLY 166 N -0.93 2.55 0.07 6.12 0.00 -0.74 -4.63 105.19 107.63 1dxx n GLY 166 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1dxx n GLY 166 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dxx h LEU 167 N 0.00 -0.03 -0.60 0.99 3.38 -1.88 -2.94 115.31 114.23 1dxx h LEU 167 Ca 0.00 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.53 1dxx h LEU 167 Cb 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1dxx h LEU 167 CO 0.00 0.51 0.28 0.00 0.09 0.00 0.00 178.44 179.31 1dxx h ALA 168 N 0.37 0.79 -0.43 1.53 0.00 -1.88 1.30 119.26 120.94 1dxx h ALA 168 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dxx h ALA 168 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dxx h ALA 168 CO 0.01 -0.11 0.28 1.25 0.00 0.00 0.00 179.25 180.68 1dxx h LEU 169 N 0.50 0.49 -0.14 0.00 5.85 -1.88 0.26 115.31 120.39 1dxx h LEU 169 Ca 0.29 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1dxx h LEU 169 Cb 0.28 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1dxx h LEU 169 CO -0.24 0.35 -0.08 0.78 -0.34 0.00 0.00 178.44 178.92 1dxx h ASN 170 N 0.58 0.31 -0.58 1.25 2.35 -1.07 -2.67 115.58 115.74 1dxx h ASN 170 Ca 0.16 -0.42 0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1dxx h ASN 170 Cb -0.06 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.14 1dxx h ASN 170 CO -0.04 0.66 0.13 0.00 -1.65 0.00 0.00 177.43 176.53 1dxx h ALA 171 N 0.66 0.69 -0.82 -0.83 0.00 0.18 0.22 119.26 119.35 1dxx h ALA 171 Ca 0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dxx h ALA 171 Cb 0.55 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1dxx h ALA 171 CO 0.02 -0.30 0.54 1.25 0.00 0.00 0.00 179.25 180.77 1dxx h LEU 172 N 0.26 0.94 -0.44 0.00 5.85 -0.84 0.35 115.31 121.42 1dxx h LEU 172 Ca 0.30 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 1dxx h LEU 172 Cb 0.44 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1dxx h LEU 172 CO -0.39 0.68 -0.36 0.40 -0.34 0.00 0.00 178.44 178.43 1dxx h ILE 173 N 1.11 1.27 -0.52 4.05 2.04 -0.86 -3.22 117.51 121.38 1dxx h ILE 173 Ca 0.30 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1dxx h ILE 173 Cb -0.12 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1dxx h ILE 173 CO -0.07 0.51 0.30 -0.74 0.00 0.00 0.00 178.15 178.16 1dxx h HIS 174 N 0.75 0.69 -0.81 1.37 2.76 -0.14 0.31 115.15 120.08 1dxx h HIS 174 Ca 0.07 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1dxx h HIS 174 Cb 0.94 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 1dxx h HIS 174 CO 0.06 0.49 0.53 0.66 -1.30 0.00 0.00 177.93 178.37 1dxx h SER 175 N 0.70 0.69 0.37 3.26 4.64 -0.39 -1.84 113.55 120.96 1dxx h SER 175 Ca 0.19 0.02 -0.32 0.00 -0.47 0.00 0.00 61.79 61.20 1dxx h SER 175 Cb 0.01 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1dxx h SER 175 CO -0.03 0.41 -1.76 0.45 -0.87 0.00 0.00 176.83 175.03 1dxx h HIS 176 N 0.76 0.26 -2.43 4.77 3.86 -1.31 -3.42 115.15 117.64 1dxx h HIS 176 Ca 0.37 -0.19 -0.60 0.00 -1.16 0.00 0.00 60.37 58.79 1dxx h HIS 176 Cb 0.43 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 28.48 1dxx h HIS 176 CO -0.00 1.35 -0.76 0.54 0.86 0.00 0.00 177.93 179.92 1dxx n ARG 177 N -3.29 1.56 0.27 2.45 5.12 0.98 -4.89 116.66 118.86 1dxx n ARG 177 Ca -0.22 -4.06 0.18 0.00 -1.93 0.00 0.00 57.85 51.82 1dxx n ARG 177 Cb 1.05 -1.95 0.86 0.00 -1.16 0.00 0.00 32.46 31.26 1dxx n ARG 177 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1dxx h PRO 178 N 4.73 0.00 0.00 5.56 0.13 -1.58 -1.67 132.00 139.17 1dxx h PRO 178 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1dxx h PRO 178 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dxx h PRO 178 CO 0.65 0.00 -0.13 0.38 -0.23 0.00 0.00 178.00 178.67 1dxx h ASP 179 N 0.00 0.00 1.73 1.44 3.04 -1.90 -3.29 116.42 117.44 1dxx h ASP 179 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1dxx h ASP 179 Cb 0.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.54 1dxx h ASP 179 CO 0.00 0.13 -0.23 -0.07 -2.04 0.00 0.00 179.24 177.03 1dxx h LEU 180 N 0.00 0.00 0.00 0.15 3.38 -1.69 -3.48 115.31 113.67 1dxx h LEU 180 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1dxx h LEU 180 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1dxx h LEU 180 CO 0.02 0.23 0.45 2.22 0.09 0.00 0.00 178.44 181.45 1dxx n PHE 181 N -3.16 -0.59 -3.78 1.13 -1.74 -1.24 -5.14 117.46 102.94 1dxx n PHE 181 Ca 0.03 -0.55 -0.36 0.00 -0.56 0.00 0.00 57.45 56.00 1dxx n PHE 181 Cb 0.61 0.26 -0.13 0.00 1.52 0.00 0.00 39.48 41.75 1dxx n PHE 181 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1dxx s ASP 182 N -2.57 4.98 0.17 5.98 2.15 -1.26 -4.92 116.67 121.21 1dxx s ASP 182 Ca 0.16 -0.28 -0.20 0.00 0.43 0.00 0.00 52.55 52.66 1dxx s ASP 182 Cb -0.01 -1.89 0.10 0.00 -0.30 0.00 0.00 42.92 40.82 1dxx s ASP 182 CO 0.01 -0.05 1.62 -0.25 -0.17 0.00 0.00 175.17 176.34 1dxx h TRP 183 N 8.22 -0.60 -0.48 -5.34 -0.00 -2.00 -0.53 115.95 115.21 1dxx h TRP 183 Ca -0.38 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 58.56 1dxx h TRP 183 Cb 1.17 0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 30.63 1dxx h TRP 183 CO 0.65 -0.31 0.32 -0.91 -0.00 0.00 0.00 178.44 178.19 1dxx h ASN 184 N -0.16 0.54 0.62 2.65 2.35 -1.99 -1.07 115.58 118.54 1dxx h ASN 184 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1dxx h ASN 184 Cb 0.47 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1dxx h ASN 184 CO -0.51 0.39 0.00 -1.54 -1.65 0.00 0.00 177.43 174.12 1dxx n SER 185 N -4.47 0.04 0.01 5.81 3.41 -0.21 -1.11 113.62 117.11 1dxx n SER 185 Ca 0.04 0.51 -0.21 0.00 -0.26 0.00 0.00 58.87 58.95 1dxx n SER 185 Cb 0.06 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 1dxx n SER 185 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1dxx h VAL 186 N 0.00 0.66 -0.22 -3.33 2.07 -1.19 -3.31 116.25 110.94 1dxx h VAL 186 Ca 0.00 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 1dxx h VAL 186 Cb 0.31 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1dxx h VAL 186 CO 0.00 0.88 0.08 0.58 0.02 0.00 0.00 177.57 179.13 1dxx h VAL 187 N 0.07 1.10 -0.02 2.57 2.07 -0.39 -1.89 116.25 119.76 1dxx h VAL 187 Ca -0.41 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1dxx h VAL 187 Cb 2.04 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1dxx h VAL 187 CO 0.10 0.12 -0.03 -1.54 0.02 0.00 0.00 177.57 176.24 1dxx n SER 188 N -4.43 1.72 -4.54 0.57 3.41 -0.26 -4.58 113.62 105.50 1dxx n SER 188 Ca 0.00 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 1dxx n SER 188 Cb 0.13 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1dxx n SER 188 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dxx s GLN 189 N -2.04 3.60 0.51 4.33 2.00 -0.71 -4.88 119.66 122.46 1dxx s GLN 189 Ca 0.35 -1.28 0.39 0.00 -2.00 0.00 0.00 55.36 52.82 1dxx s GLN 189 Cb 0.21 -5.26 1.56 0.00 0.80 0.00 0.00 33.01 30.32 1dxx s GLN 189 CO 0.35 -2.11 1.66 1.96 -0.50 0.00 0.00 175.29 176.65 1dxx h GLN 190 N 9.54 0.05 -6.35 1.67 4.20 -1.84 -3.41 115.11 118.97 1dxx h GLN 190 Ca 0.19 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.33 1dxx h GLN 190 Cb 1.01 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.73 1dxx h GLN 190 CO 1.36 0.03 0.97 0.45 -0.67 0.00 0.00 178.83 180.97 1dxx s SER 191 N -4.50 6.68 0.14 1.46 0.15 -1.26 -4.89 113.70 111.48 1dxx s SER 191 Ca -0.06 1.20 -0.14 0.00 0.70 0.00 0.00 55.95 57.65 1dxx s SER 191 Cb 0.26 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1dxx s SER 191 CO 0.85 -1.08 1.59 0.00 1.20 0.00 0.00 173.24 175.80 1dxx h ALA 192 N 9.26 0.60 -0.97 5.45 0.00 -1.82 0.59 119.26 132.36 1dxx h ALA 192 Ca -0.26 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.54 1dxx h ALA 192 Cb 1.10 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1dxx h ALA 192 CO 1.03 0.38 0.58 1.15 0.00 0.00 0.00 179.25 182.39 1dxx h THR 193 N 0.62 0.80 0.02 0.00 2.02 -1.90 0.26 112.91 114.74 1dxx h THR 193 Ca 0.13 -0.29 -0.22 0.00 0.77 0.00 0.00 66.41 66.81 1dxx h THR 193 Cb 0.47 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1dxx h THR 193 CO 0.02 0.15 -0.96 1.56 0.37 0.00 0.00 175.52 176.67 1dxx h GLN 194 N 0.83 0.25 -0.58 6.66 4.20 -1.79 -2.73 115.11 121.95 1dxx h GLN 194 Ca 0.52 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1dxx h GLN 194 Cb 0.67 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1dxx h GLN 194 CO -0.33 1.03 0.31 0.00 -0.67 0.00 0.00 178.83 179.18 1dxx h ARG 195 N 0.13 0.80 -0.03 1.46 3.08 0.11 -1.99 114.38 117.93 1dxx h ARG 195 Ca -0.06 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1dxx h ARG 195 Cb 1.61 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 1dxx h ARG 195 CO 0.15 0.59 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.56 1dxx h LEU 196 N 0.80 0.07 -1.08 3.04 3.38 -1.14 -0.24 115.31 120.14 1dxx h LEU 196 Ca 0.21 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1dxx h LEU 196 Cb 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1dxx h LEU 196 CO -0.03 0.46 0.32 -0.33 0.09 0.00 0.00 178.44 178.95 1dxx h GLU 197 N -0.32 0.97 0.33 1.13 5.08 -1.48 0.40 114.58 120.69 1dxx h GLU 197 Ca 0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dxx h GLU 197 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1dxx h GLU 197 CO 0.00 0.75 -0.22 1.25 -1.00 0.00 0.00 179.01 179.80 1dxx h HIS 198 N 0.96 -0.58 -0.53 4.33 2.76 -1.17 0.11 115.15 121.03 1dxx h HIS 198 Ca 0.24 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1dxx h HIS 198 Cb 0.11 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 1dxx h HIS 198 CO 0.01 -0.34 0.30 0.00 -1.30 0.00 0.00 177.93 176.61 1dxx h ALA 199 N 0.09 0.68 -0.95 5.26 0.00 -0.53 0.08 119.26 123.90 1dxx h ALA 199 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1dxx h ALA 199 Cb 0.46 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1dxx h ALA 199 CO 0.02 0.18 0.62 0.74 0.00 0.00 0.00 179.25 180.81 1dxx h PHE 200 N 0.71 1.14 -0.14 0.00 0.04 0.20 0.57 116.94 119.46 1dxx h PHE 200 Ca 0.19 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 1dxx h PHE 200 Cb 0.02 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 1dxx h PHE 200 CO -0.02 0.65 -0.11 -0.91 -0.60 0.00 0.00 178.31 177.32 1dxx h ASN 201 N 1.17 0.34 -0.48 2.17 2.35 -0.07 0.53 115.58 121.60 1dxx h ASN 201 Ca 0.38 -0.45 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1dxx h ASN 201 Cb 0.05 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1dxx h ASN 201 CO -0.13 0.72 0.17 0.40 -1.65 0.00 0.00 177.43 176.95 1dxx h ILE 202 N -0.03 0.85 -0.44 2.81 5.03 -0.64 0.53 117.51 125.62 1dxx h ILE 202 Ca 0.03 -0.12 -0.05 0.00 -0.12 0.00 0.00 64.86 64.60 1dxx h ILE 202 Cb 0.61 0.47 -0.02 0.00 -3.03 0.00 0.00 36.82 34.84 1dxx h ILE 202 CO 0.03 0.06 0.07 0.00 -0.68 0.00 0.00 178.15 177.64 1dxx h ALA 203 N 1.31 1.30 -0.02 1.87 0.00 0.47 0.47 119.26 124.67 1dxx h ALA 203 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1dxx h ALA 203 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1dxx h ALA 203 CO -0.22 0.48 -0.18 -0.09 0.00 0.00 0.00 179.25 179.24 1dxx h ARG 204 N 0.65 0.16 0.16 0.00 9.65 0.14 0.63 114.38 125.77 1dxx h ARG 204 Ca 0.14 -0.14 -0.36 0.00 -1.10 0.00 0.00 59.98 58.53 1dxx h ARG 204 Cb 0.30 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1dxx h ARG 204 CO 0.00 0.83 -1.83 1.88 2.80 0.00 0.00 179.97 183.65 1dxx h TYR 205 N -0.47 0.62 0.02 2.20 0.05 0.03 -2.17 116.97 117.25 1dxx h TYR 205 Ca -0.02 -0.45 -0.26 0.00 0.05 0.00 0.00 58.73 58.05 1dxx h TYR 205 Cb 0.87 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 1dxx h TYR 205 CO 0.16 1.70 -1.39 1.96 -1.05 0.00 0.00 178.16 179.54 1dxx h GLN 206 N 0.09 0.04 0.00 4.88 1.08 -0.17 -3.39 115.11 117.65 1dxx h GLN 206 Ca -0.37 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1dxx h GLN 206 Cb 2.08 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1dxx h GLN 206 CO 0.15 0.80 -0.76 1.28 -0.95 0.00 0.00 178.83 179.35 1dxx n LEU 207 N -3.24 0.66 0.00 1.46 4.77 -0.99 -4.98 117.00 114.69 1dxx n LEU 207 Ca -0.10 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1dxx n LEU 207 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1dxx n LEU 207 CO 0.47 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1dxx n GLY 208 N 1.37 0.75 3.65 -0.72 0.00 -0.75 -4.97 105.19 104.52 1dxx n GLY 208 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1dxx n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dxx s ILE 209 N -2.57 4.78 0.20 -0.61 -1.09 0.21 -4.92 121.20 117.21 1dxx s ILE 209 Ca 0.00 1.76 -0.31 0.00 -2.23 0.00 0.00 60.65 59.87 1dxx s ILE 209 Cb 0.00 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 1dxx s ILE 209 CO 0.00 -0.10 1.53 -0.70 -1.23 0.00 0.00 174.94 174.44 1dxx s GLU 210 N 2.90 4.22 -1.17 2.79 2.56 -1.26 -3.17 118.70 125.57 1dxx s GLU 210 Ca 0.39 2.37 -0.21 0.00 0.00 0.00 0.00 54.97 57.51 1dxx s GLU 210 Cb -0.15 -3.13 -0.02 0.00 2.00 0.00 0.00 34.13 32.83 1dxx s GLU 210 CO 0.07 -0.55 1.82 0.15 -0.56 0.00 0.00 175.26 176.20 1dxx s LYS 211 N 0.50 3.09 0.32 4.30 1.02 -1.26 -4.75 119.74 122.96 1dxx s LYS 211 Ca 0.66 -1.32 0.08 0.00 0.02 0.00 0.00 55.97 55.41 1dxx s LYS 211 Cb -0.44 -5.33 0.54 0.00 -0.52 0.00 0.00 37.83 32.09 1dxx s LYS 211 CO 0.37 -3.18 1.75 -0.07 -0.92 0.00 0.00 175.35 173.30 1dxx h LEU 212 N 15.60 0.21 -9.60 3.17 3.38 -1.98 -3.45 115.31 122.64 1dxx h LEU 212 Ca 0.28 -0.08 -0.65 0.00 0.09 0.00 0.00 57.88 57.52 1dxx h LEU 212 Cb 0.93 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 1dxx h LEU 212 CO 1.32 0.56 -0.58 -0.76 0.09 0.00 0.00 178.44 179.07 1dxx s LEU 213 N -8.33 3.89 0.10 1.67 1.43 -1.26 -5.13 118.68 111.05 1dxx s LEU 213 Ca -0.04 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1dxx s LEU 213 Cb 0.14 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1dxx s LEU 213 CO 0.76 0.24 0.10 -1.81 0.23 0.00 0.00 176.35 175.87 1dxx s ASP 214 N -1.95 5.56 0.36 2.29 1.01 -1.26 -5.00 116.67 117.68 1dxx s ASP 214 Ca 0.25 -0.03 0.10 0.00 0.71 0.00 0.00 52.55 53.59 1dxx s ASP 214 Cb -0.12 -1.49 0.86 0.00 1.01 0.00 0.00 42.92 43.17 1dxx s ASP 214 CO 0.17 0.15 1.85 -0.65 0.21 0.00 0.00 175.17 176.90 1dxx h PRO 215 N 3.06 0.63 0.00 8.23 0.11 -1.94 -0.23 132.00 141.86 1dxx h PRO 215 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dxx h PRO 215 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dxx h PRO 215 CO 0.66 0.42 0.00 1.05 -0.21 0.00 0.00 178.00 179.91 1dxx h GLU 216 N 0.65 0.00 0.00 1.05 9.09 -1.95 0.14 114.58 123.56 1dxx h GLU 216 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 1dxx h GLU 216 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1dxx h GLU 216 CO -0.23 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.39 1dxx h ASP 217 N 0.00 0.00 0.00 3.06 3.32 -1.42 -3.36 116.42 118.01 1dxx h ASP 217 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1dxx h ASP 217 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1dxx h ASP 217 CO 0.00 0.00 -1.44 0.52 -1.72 0.00 0.00 179.24 176.60 1dxx n VAL 218 N -3.04 1.25 -2.24 -1.35 0.31 -0.90 -3.67 118.33 108.69 1dxx n VAL 218 Ca 0.03 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 1dxx n VAL 218 Cb 0.42 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1dxx n VAL 218 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1dxx n ASP 219 N -4.03 4.33 -3.57 4.52 2.03 0.43 -4.24 116.55 116.01 1dxx n ASP 219 Ca -0.25 -2.86 -0.09 0.00 0.52 0.00 0.00 54.79 52.11 1dxx n ASP 219 Cb 0.58 -1.69 -0.04 0.00 -0.72 0.00 0.00 41.12 39.25 1dxx n ASP 219 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1dxx s THR 220 N 4.84 0.00 0.29 5.18 -1.32 -1.26 -4.68 115.64 118.69 1dxx s THR 220 Ca 0.54 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.00 1dxx s THR 220 Cb 0.06 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.31 1dxx s THR 220 CO 0.05 0.00 1.96 0.74 -2.21 0.00 0.00 174.62 175.16 1dxx h THR 221 N 2.40 1.22 -2.76 5.08 2.02 -1.94 -3.35 112.91 115.58 1dxx h THR 221 Ca -0.17 -0.42 -0.61 0.00 0.77 0.00 0.00 66.41 65.98 1dxx h THR 221 Cb 1.18 0.00 -0.42 0.00 -1.74 0.00 0.00 68.15 67.17 1dxx h THR 221 CO 0.30 0.21 -0.61 -1.22 0.37 0.00 0.00 175.52 174.57 1dxx n TYR 222 N -4.40 3.04 -2.01 3.16 4.01 -1.26 -4.92 117.16 114.78 1dxx n TYR 222 Ca 0.09 -4.19 -0.34 0.00 -0.16 0.00 0.00 57.90 53.30 1dxx n TYR 222 Cb 0.03 -0.55 0.02 0.00 -0.31 0.00 0.00 39.34 38.54 1dxx n TYR 222 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1dxx s PRO 223 N -1.67 3.09 -0.26 -0.72 0.02 -1.26 -4.97 135.00 129.23 1dxx s PRO 223 Ca 0.30 1.48 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1dxx s PRO 223 Cb 0.02 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 1dxx s PRO 223 CO -0.13 -1.04 0.85 0.34 -0.33 0.00 0.00 177.00 176.70 1dxx s ASP 224 N -2.22 6.82 0.08 2.53 2.15 -1.24 -4.84 116.67 119.94 1dxx s ASP 224 Ca 0.69 0.97 -0.31 0.00 0.43 0.00 0.00 52.55 54.33 1dxx s ASP 224 Cb -0.22 -2.44 -0.18 0.00 -0.30 0.00 0.00 42.92 39.78 1dxx s ASP 224 CO 0.34 -0.58 1.64 0.50 -0.17 0.00 0.00 175.17 176.91 1dxx h LYS 225 N 7.80 -0.73 -0.55 4.34 3.64 -1.94 -2.59 116.57 126.53 1dxx h LYS 225 Ca -0.23 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1dxx h LYS 225 Cb 1.09 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1dxx h LYS 225 CO 0.89 -0.48 0.26 0.87 -2.27 0.00 0.00 179.45 178.72 1dxx h LYS 226 N -0.75 0.49 -0.68 1.90 1.57 -1.94 0.09 116.57 117.25 1dxx h LYS 226 Ca -0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1dxx h LYS 226 Cb 0.59 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1dxx h LYS 226 CO 0.10 0.32 0.19 0.77 -0.57 0.00 0.00 179.45 180.26 1dxx h SER 227 N 0.50 1.00 -0.10 0.86 0.02 -1.92 -0.96 113.55 112.94 1dxx h SER 227 Ca 0.25 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1dxx h SER 227 Cb 0.20 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1dxx h SER 227 CO -0.20 0.95 -0.00 0.40 -1.14 0.00 0.00 176.83 176.84 1dxx h ILE 228 N 1.02 1.25 -0.49 3.27 2.04 -1.01 -0.17 117.51 123.42 1dxx h ILE 228 Ca 0.22 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.38 1dxx h ILE 228 Cb 0.32 1.59 -0.10 0.00 -0.74 0.00 0.00 36.82 37.89 1dxx h ILE 228 CO -0.00 0.23 -0.17 0.25 0.00 0.00 0.00 178.15 178.46 1dxx h LEU 229 N -0.09 -0.60 -0.01 1.44 5.85 -0.67 0.35 115.31 121.58 1dxx h LEU 229 Ca 0.03 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1dxx h LEU 229 Cb 0.35 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1dxx h LEU 229 CO 0.01 -0.21 -0.05 -0.03 -0.34 0.00 0.00 178.44 177.82 1dxx h MET 230 N -0.06 -0.08 -0.48 1.25 4.05 -1.14 -0.96 114.93 117.52 1dxx h MET 230 Ca 0.23 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1dxx h MET 230 Cb 0.42 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1dxx h MET 230 CO -0.53 -0.05 0.28 -0.92 0.23 0.00 0.00 176.91 175.91 1dxx h TYR 231 N -0.08 0.65 0.00 1.39 3.20 0.90 -2.17 116.97 120.86 1dxx h TYR 231 Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1dxx h TYR 231 Cb 0.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1dxx h TYR 231 CO -0.12 0.47 -0.26 0.82 -1.64 0.00 0.00 178.16 177.43 1dxx h ILE 232 N 0.64 1.12 -0.50 1.81 1.08 -0.16 -2.34 117.51 119.15 1dxx h ILE 232 Ca 0.17 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1dxx h ILE 232 Cb 0.02 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1dxx h ILE 232 CO -0.03 0.25 0.22 0.74 -0.69 0.00 0.00 178.15 178.64 1dxx h THR 233 N 0.00 1.20 -0.87 -0.27 2.02 -0.73 -0.82 112.91 113.44 1dxx h THR 233 Ca -0.00 -0.61 0.11 0.00 0.77 0.00 0.00 66.41 66.68 1dxx h THR 233 Cb 0.47 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1dxx h THR 233 CO 0.03 0.23 0.50 0.28 0.37 0.00 0.00 175.52 176.94 1dxx h SER 234 N 0.67 0.70 -0.51 4.18 0.02 -0.85 -0.49 113.55 117.27 1dxx h SER 234 Ca 0.17 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1dxx h SER 234 Cb 0.16 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1dxx h SER 234 CO -0.02 0.38 0.10 -0.07 -1.14 0.00 0.00 176.83 176.08 1dxx h LEU 235 N 0.80 0.80 -1.06 5.07 3.38 -1.19 -3.09 115.31 120.02 1dxx h LEU 235 Ca 0.43 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1dxx h LEU 235 Cb 0.45 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1dxx h LEU 235 CO -0.27 0.84 0.57 0.15 0.09 0.00 0.00 178.44 179.82 1dxx h PHE 236 N 0.72 1.16 0.00 1.13 3.04 -0.81 -0.14 116.94 122.04 1dxx h PHE 236 Ca 0.16 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1dxx h PHE 236 Cb 0.37 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1dxx h PHE 236 CO 0.03 0.75 0.00 1.96 -2.02 0.00 0.00 178.31 179.03 1dxx h GLN 237 N 1.23 0.00 0.00 1.11 4.20 -1.01 -3.19 115.11 117.45 1dxx h GLN 237 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1dxx h GLN 237 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1dxx h GLN 237 CO -0.07 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.42 1dxx n VAL 238 N -2.84 0.39 -4.15 -0.54 0.24 -0.13 -5.05 118.33 106.26 1dxx n VAL 238 Ca -0.02 -0.54 -0.23 0.00 -2.04 0.00 0.00 64.34 61.51 1dxx n VAL 238 Cb 0.10 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1dxx n VAL 238 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dxx s LEU 239 N -0.39 3.30 0.56 1.34 1.43 -0.82 -5.10 118.68 119.00 1dxx s LEU 239 Ca 0.00 -0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1dxx s LEU 239 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1dxx s LEU 239 CO 0.00 -0.19 1.35 -2.84 0.23 0.00 0.00 176.35 174.90 1dxx s PRO 240 N -3.80 3.06 -0.51 1.29 0.02 -1.26 -4.88 135.00 128.92 1dxx s PRO 240 Ca 0.36 2.22 0.05 0.00 0.02 0.00 0.00 61.00 63.64 1dxx s PRO 240 Cb -0.04 -2.20 0.38 0.00 0.02 0.00 0.00 34.50 32.66 1dxx s PRO 240 CO 0.22 -1.25 1.03 1.04 -0.33 0.00 0.00 177.00 177.72 1dxx n GLN 241 N -1.15 3.34 -2.54 5.54 6.02 -1.26 -5.02 117.38 122.31 1dxx n GLN 241 Ca 0.11 -4.68 -0.43 0.00 -0.01 0.00 0.00 57.00 51.99 1dxx n GLN 241 Cb 0.45 -2.25 -0.02 0.00 1.02 0.00 0.00 30.24 29.45 1dxx n GLN 241 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1dxx s GLN 242 N -3.51 4.25 0.39 -1.09 -1.52 -1.26 -5.02 119.66 111.90 1dxx s GLN 242 Ca 0.48 1.51 0.05 0.00 -1.95 0.00 0.00 55.36 55.45 1dxx s GLN 242 Cb 0.34 -3.70 -0.06 0.00 -0.22 0.00 0.00 33.01 29.38 1dxx s GLN 242 CO -0.17 -0.66 0.04 0.14 -0.25 0.00 0.00 175.29 174.39 1dxx s VAL 243 N 3.32 1.42 -0.03 1.09 -7.23 -1.26 -4.71 120.40 113.00 1dxx s VAL 243 Ca 0.49 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1dxx s VAL 243 Cb -0.18 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1dxx s VAL 243 CO 0.10 0.00 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.30 1dxx s SER 244 N -3.64 4.81 0.05 4.85 0.15 -1.26 -5.07 113.70 113.59 1dxx s SER 244 Ca 0.30 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1dxx s SER 244 Cb 0.07 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1dxx s SER 244 CO 0.14 0.32 -0.05 -0.63 1.20 0.00 0.00 173.24 174.22 1dxx s ILE 245 N -0.95 0.36 0.00 6.45 1.01 -1.26 -5.01 121.20 121.81 1dxx s ILE 245 Ca 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1dxx s ILE 245 Cb -0.11 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1dxx s ILE 245 CO 0.06 -0.66 0.00 -0.62 0.00 0.00 0.00 174.94 173.71