#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kaq s LYS 3 N 0.00 3.89 -0.04 1.64 1.02 -1.26 -2.68 119.74 122.31 1kaq s LYS 3 Ca 0.00 1.82 0.07 0.00 0.02 0.00 0.00 55.97 57.88 1kaq s LYS 3 Cb 0.00 -4.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 1kaq s LYS 3 CO 0.00 -1.18 -0.25 0.42 -0.92 0.00 0.00 175.35 173.42 1kaq s ILE 4 N 4.95 1.99 -0.40 2.17 1.01 0.27 -0.05 121.20 131.14 1kaq s ILE 4 Ca 0.73 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 1kaq s ILE 4 Cb -0.27 -1.67 0.08 0.00 0.01 0.00 0.00 42.46 40.60 1kaq s ILE 4 CO 0.29 0.56 0.21 -0.83 0.00 0.00 0.00 174.94 175.17 1kaq s GLY 5 N -0.32 1.94 -0.28 6.18 0.00 -0.81 -0.28 107.32 113.76 1kaq s GLY 5 Ca 0.02 -2.12 -0.29 0.00 0.00 0.00 0.00 44.72 42.32 1kaq s GLY 5 CO 0.02 0.93 1.31 -0.42 0.00 0.00 0.00 173.10 174.94 1kaq s ILE 6 N 1.37 4.15 -0.77 0.90 1.01 0.39 -1.15 121.20 127.10 1kaq s ILE 6 Ca 0.03 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.01 1kaq s ILE 6 Cb -0.22 -4.12 0.26 0.00 0.01 0.00 0.00 42.46 38.38 1kaq s ILE 6 CO 0.01 -0.43 0.91 0.33 0.00 0.00 0.00 174.94 175.77 1kaq n PHE 7 N 7.53 3.35 -2.46 3.97 7.35 0.58 -0.94 117.46 136.84 1kaq n PHE 7 Ca 0.15 -3.79 -0.34 0.00 -0.76 0.00 0.00 57.45 52.71 1kaq n PHE 7 Cb 0.46 -0.78 -0.02 0.00 0.35 0.00 0.00 39.48 39.49 1kaq n PHE 7 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1kaq s GLY 8 N -2.07 2.55 -0.18 7.13 0.00 -1.26 -2.51 107.32 110.98 1kaq s GLY 8 Ca 0.36 0.68 -0.35 0.00 0.00 0.00 0.00 44.72 45.40 1kaq s GLY 8 CO -0.00 1.01 1.36 -0.32 0.00 0.00 0.00 173.10 175.15 1kaq s GLY 9 N -1.90 -0.33 0.16 0.20 0.00 -0.90 -4.88 107.32 99.65 1kaq s GLY 9 Ca 0.69 1.43 0.24 0.00 0.00 0.00 0.00 44.72 47.07 1kaq s GLY 9 CO 0.22 0.42 1.31 -0.91 0.00 0.00 0.00 173.10 174.14 1kaq h THR 10 N 2.00 0.00 -5.65 0.90 1.35 -1.95 -2.86 112.91 106.71 1kaq h THR 10 Ca -0.16 -0.61 -0.32 0.00 -0.55 0.00 0.00 66.41 64.77 1kaq h THR 10 Cb 1.16 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1kaq h THR 10 CO 0.24 0.00 -0.88 0.49 -0.25 0.00 0.00 175.52 175.12 1kaq n PHE 11 N -2.27 -1.83 -3.39 4.73 3.01 -1.26 -4.73 117.46 111.72 1kaq n PHE 11 Ca 0.03 0.77 -0.26 0.00 1.01 0.00 0.00 57.45 58.99 1kaq n PHE 11 Cb 0.46 -1.50 -0.09 0.00 -0.01 0.00 0.00 39.48 38.35 1kaq n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1kaq n ASP 12 N -0.45 0.90 -5.01 4.37 2.03 -1.26 -3.87 116.55 113.27 1kaq n ASP 12 Ca -0.12 -2.77 -0.17 0.00 0.52 0.00 0.00 54.79 52.24 1kaq n ASP 12 Cb 0.51 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.29 1kaq n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1kaq s PRO 13 N -1.02 2.78 0.75 -0.67 0.04 -1.26 -4.74 135.00 130.89 1kaq s PRO 13 Ca 0.34 -1.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.04 1kaq s PRO 13 Cb 0.09 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1kaq s PRO 13 CO -0.13 -0.33 1.08 -2.14 0.04 0.00 0.00 177.00 175.52 1kaq s PRO 14 N -4.40 2.46 0.16 0.56 0.02 -1.25 -4.59 135.00 127.96 1kaq s PRO 14 Ca 0.55 0.85 -0.17 0.00 0.02 0.00 0.00 61.00 62.25 1kaq s PRO 14 Cb -0.10 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.51 1kaq s PRO 14 CO 0.34 -1.41 0.47 -3.38 -0.33 0.00 0.00 177.00 172.69 1kaq s HIS 15 N -3.07 -0.16 0.56 6.54 -3.43 -1.26 -4.84 115.29 109.63 1kaq s HIS 15 Ca 0.60 -0.17 0.33 0.00 -0.80 0.00 0.00 55.06 55.02 1kaq s HIS 15 Cb -0.15 0.33 1.46 0.00 -1.43 0.00 0.00 32.58 32.80 1kaq s HIS 15 CO 0.55 -0.82 1.78 -0.91 -2.00 0.00 0.00 174.74 173.33 1kaq h ASN 16 N 2.26 0.00 -0.23 7.38 2.35 -1.46 0.13 115.58 126.02 1kaq h ASN 16 Ca -0.31 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1kaq h ASN 16 Cb 1.26 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.57 1kaq h ASN 16 CO 0.41 0.00 -0.16 1.23 -1.65 0.00 0.00 177.43 177.27 1kaq h GLY 17 N 0.00 0.00 0.77 2.83 0.00 -1.88 0.14 103.07 104.93 1kaq h GLY 17 Ca 0.46 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 1kaq h GLY 17 CO -0.00 -0.16 -0.37 0.45 0.00 0.00 0.00 176.54 176.46 1kaq h HIS 18 N -0.15 -0.98 -0.96 5.60 3.86 -1.10 -1.72 115.15 119.70 1kaq h HIS 18 Ca 0.13 -0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.63 1kaq h HIS 18 Cb 0.34 0.36 -0.15 0.00 1.06 0.00 0.00 27.41 29.03 1kaq h HIS 18 CO -0.32 -0.54 0.44 -0.07 0.86 0.00 0.00 177.93 178.29 1kaq h LEU 19 N -0.86 0.30 0.57 2.43 3.38 -1.17 0.16 115.31 120.11 1kaq h LEU 19 Ca -0.06 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1kaq h LEU 19 Cb 0.72 0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1kaq h LEU 19 CO 0.03 -0.16 -0.27 -0.07 0.09 0.00 0.00 178.44 178.05 1kaq h LEU 20 N 0.26 -0.65 -0.62 1.67 4.07 -0.46 -1.83 115.31 117.76 1kaq h LEU 20 Ca 0.67 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.74 1kaq h LEU 20 Cb 1.49 0.17 -0.09 0.00 1.08 0.00 0.00 40.66 43.31 1kaq h LEU 20 CO -0.64 -0.26 -0.27 0.23 -1.08 0.00 0.00 178.44 176.42 1kaq n MET 21 N -5.19 -0.17 0.00 1.13 2.81 -0.07 0.15 117.12 115.77 1kaq n MET 21 Ca -0.09 0.95 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 1kaq n MET 21 Cb 0.30 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1kaq n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kaq n ALA 22 N -3.64 -0.46 0.24 3.04 0.00 0.36 -0.48 120.51 119.56 1kaq n ALA 22 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1kaq n ALA 22 Cb 0.23 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.09 1kaq n ALA 22 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1kaq h ASN 23 N 0.00 0.00 0.02 0.00 -0.73 -0.17 0.15 115.58 114.85 1kaq h ASN 23 Ca 0.00 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.82 1kaq h ASN 23 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 1kaq h ASN 23 CO 0.00 0.00 -1.93 -0.62 -0.37 0.00 0.00 177.43 174.51 1kaq n GLU 24 N -2.84 0.61 -0.32 6.67 -0.58 0.12 -4.36 120.64 119.95 1kaq n GLU 24 Ca 0.03 0.39 0.13 0.00 -0.42 0.00 0.00 57.16 57.28 1kaq n GLU 24 Cb 0.82 -1.63 0.31 0.00 -0.57 0.00 0.00 31.44 30.37 1kaq n GLU 24 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1kaq h VAL 25 N -0.77 0.57 0.00 2.62 2.07 0.19 -2.30 116.25 118.64 1kaq h VAL 25 Ca -0.51 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1kaq h VAL 25 Cb 1.56 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1kaq h VAL 25 CO -0.24 0.10 0.00 -0.11 0.02 0.00 0.00 177.57 177.34 1kaq n LEU 26 N -4.93 0.00 0.00 2.57 7.94 -0.40 -1.73 117.00 120.45 1kaq n LEU 26 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1kaq n LEU 26 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1kaq n LEU 26 CO 0.17 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.23 1kaq n TYR 27 N 0.00 0.00 0.31 1.96 4.02 -1.21 0.26 117.16 122.50 1kaq n TYR 27 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.09 1kaq n TYR 27 Cb 0.00 -0.46 0.99 0.00 -0.02 0.00 0.00 39.34 39.85 1kaq n TYR 27 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1kaq h GLN 28 N 0.00 0.00 -0.32 -0.72 5.75 -1.50 -0.43 115.11 117.89 1kaq h GLN 28 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1kaq h GLN 28 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1kaq h GLN 28 CO 0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 1kaq n ALA 29 N -2.03 2.28 -3.03 3.38 0.00 0.73 -4.99 120.51 116.85 1kaq n ALA 29 Ca -0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 53.44 52.19 1kaq n ALA 29 Cb 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1kaq n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kaq n GLY 30 N 0.73 -0.50 3.89 0.00 0.00 -0.17 -4.97 105.19 104.17 1kaq n GLY 30 Ca 0.12 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1kaq n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kaq s LEU 31 N -6.31 2.90 -0.20 0.99 1.43 -1.24 -4.92 118.68 111.33 1kaq s LEU 31 Ca 0.27 1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 1kaq s LEU 31 Cb -0.14 -3.89 -0.20 0.00 0.03 0.00 0.00 46.19 42.00 1kaq s LEU 31 CO 0.33 -1.35 0.13 0.47 0.23 0.00 0.00 176.35 176.16 1kaq n ASP 32 N -3.01 1.95 -3.91 2.29 8.00 0.93 -4.68 116.55 118.13 1kaq n ASP 32 Ca 0.07 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.80 1kaq n ASP 32 Cb 0.57 -0.88 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1kaq n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kaq s GLU 33 N -2.44 0.72 -0.13 -1.24 2.02 -1.21 -4.93 118.70 111.49 1kaq s GLU 33 Ca -0.29 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 1kaq s GLU 33 Cb 0.08 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.58 1kaq s GLU 33 CO 0.62 -0.20 -0.11 0.42 0.02 0.00 0.00 175.26 176.00 1kaq s ILE 34 N -3.34 3.21 -0.26 -1.63 -1.09 -1.17 -1.92 121.20 115.00 1kaq s ILE 34 Ca 0.01 -0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1kaq s ILE 34 Cb 0.03 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 1kaq s ILE 34 CO -0.08 0.52 0.07 0.26 -1.23 0.00 0.00 174.94 174.48 1kaq s TRP 35 N 0.29 3.09 -0.72 3.97 0.51 -0.30 -4.32 118.94 121.47 1kaq s TRP 35 Ca -0.09 -0.59 -0.24 0.00 -2.12 0.00 0.00 56.10 53.06 1kaq s TRP 35 Cb -0.15 -2.24 0.05 0.00 -0.81 0.00 0.00 33.47 30.32 1kaq s TRP 35 CO 0.05 -0.43 1.12 -0.06 -0.51 0.00 0.00 176.95 177.13 1kaq s PHE 36 N 1.58 2.52 -0.89 -1.98 0.40 -0.70 -0.30 117.98 118.61 1kaq s PHE 36 Ca 0.05 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 1kaq s PHE 36 Cb -0.16 -4.45 0.19 0.00 0.51 0.00 0.00 43.02 39.11 1kaq s PHE 36 CO 0.03 -1.84 0.94 1.41 0.70 0.00 0.00 175.22 176.46 1kaq s MET 37 N 4.76 3.66 0.38 0.44 1.75 -1.04 -3.04 119.30 126.20 1kaq s MET 37 Ca 0.29 -2.27 -0.27 0.00 -1.25 0.00 0.00 55.69 52.18 1kaq s MET 37 Cb -0.12 -4.63 -0.10 0.00 2.84 0.00 0.00 34.83 32.82 1kaq s MET 37 CO 0.11 -1.47 1.39 -2.14 -0.65 0.00 0.00 175.02 172.25 1kaq s PRO 38 N 0.99 4.10 0.00 4.11 0.02 -1.25 -2.12 135.00 140.85 1kaq s PRO 38 Ca 0.25 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1kaq s PRO 38 Cb -0.08 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1kaq s PRO 38 CO -0.09 -0.46 0.00 0.09 -0.33 0.00 0.00 177.00 176.21 1kaq n ASN 39 N 0.40 0.00 0.00 2.53 3.02 -1.08 -4.54 115.26 115.60 1kaq n ASN 39 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1kaq n ASN 39 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1kaq n ASN 39 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1kaq n GLN 40 N 0.00 0.00 -3.74 3.52 7.27 -1.26 -4.58 117.38 118.59 1kaq n GLN 40 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1kaq n GLN 40 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 1kaq n GLN 40 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1kaq s ILE 41 N 0.63 3.76 -2.00 1.69 2.07 -1.26 -4.87 121.20 121.22 1kaq s ILE 41 Ca 0.00 -1.26 0.08 0.00 -1.41 0.00 0.00 60.65 58.06 1kaq s ILE 41 Cb 0.00 -3.19 0.23 0.00 0.13 0.00 0.00 42.46 39.62 1kaq s ILE 41 CO 0.00 -0.26 1.00 0.47 -1.91 0.00 0.00 174.94 174.24 1kaq n ASP 52 N 4.80 0.00 0.00 4.50 8.00 -1.26 -5.13 116.55 127.45 1kaq n ASP 52 Ca -0.11 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1kaq n ASP 52 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1kaq n ASP 52 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1kaq n SER 53 N -0.70 0.00 -0.33 -2.24 3.41 -1.26 -4.63 113.62 107.87 1kaq n SER 53 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.63 1kaq n SER 53 Cb 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.06 1kaq n SER 53 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1kaq h PHE 54 N 0.00 1.21 0.00 7.33 3.57 -2.00 -1.26 116.94 125.79 1kaq h PHE 54 Ca 0.00 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 1kaq h PHE 54 Cb 0.00 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1kaq h PHE 54 CO 0.00 0.84 -0.57 0.45 -2.23 0.00 0.00 178.31 176.80 1kaq h HIS 55 N 1.23 0.00 -0.26 0.41 3.86 -1.99 -1.90 115.15 116.50 1kaq h HIS 55 Ca 0.31 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.39 1kaq h HIS 55 Cb 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1kaq h HIS 55 CO 0.01 0.57 -0.35 0.00 0.86 0.00 0.00 177.93 179.02 1kaq h ARG 56 N 0.00 0.70 -0.16 2.45 3.08 -1.69 0.70 114.38 119.46 1kaq h ARG 56 Ca -0.01 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 1kaq h ARG 56 Cb 1.11 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1kaq h ARG 56 CO 0.07 1.02 -0.40 0.28 -1.07 0.00 0.00 179.97 179.87 1kaq h VAL 57 N 0.43 1.31 0.15 2.04 2.07 -1.20 0.66 116.25 121.70 1kaq h VAL 57 Ca 0.03 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1kaq h VAL 57 Cb 0.93 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1kaq h VAL 57 CO 0.08 0.47 -0.07 -0.33 0.02 0.00 0.00 177.57 177.74 1kaq h GLU 58 N 0.31 -0.20 -0.77 1.57 4.39 -1.21 -1.51 114.58 117.17 1kaq h GLU 58 Ca 0.03 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1kaq h GLU 58 Cb 0.85 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1kaq h GLU 58 CO 0.07 0.16 0.51 0.52 -1.16 0.00 0.00 179.01 179.11 1kaq h MET 59 N -0.60 0.96 -0.64 2.33 2.86 -0.80 -2.26 114.93 116.78 1kaq h MET 59 Ca -0.02 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1kaq h MET 59 Cb 0.45 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1kaq h MET 59 CO 0.03 0.64 0.19 1.25 1.06 0.00 0.00 176.91 180.09 1kaq h LEU 60 N 0.99 0.93 -0.09 1.22 6.46 -0.74 -1.76 115.31 122.33 1kaq h LEU 60 Ca 0.30 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1kaq h LEU 60 Cb -0.03 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1kaq h LEU 60 CO -0.08 0.90 0.05 0.11 -0.62 0.00 0.00 178.44 178.80 1kaq h LYS 61 N 0.92 0.12 -0.55 1.25 1.57 -0.76 -2.21 116.57 116.91 1kaq h LYS 61 Ca 0.20 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1kaq h LYS 61 Cb 0.30 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1kaq h LYS 61 CO -0.01 0.17 0.16 -0.07 -0.57 0.00 0.00 179.45 179.14 1kaq h LEU 62 N 0.04 0.11 -1.15 2.94 3.38 -1.29 0.20 115.31 119.53 1kaq h LEU 62 Ca 0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1kaq h LEU 62 Cb 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1kaq h LEU 62 CO -0.00 0.08 0.10 0.00 0.09 0.00 0.00 178.44 178.70 1kaq h ALA 63 N 1.40 1.31 -0.01 1.53 0.00 -1.02 -3.24 119.26 119.23 1kaq h ALA 63 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1kaq h ALA 63 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kaq h ALA 63 CO -0.32 0.48 -0.27 0.44 0.00 0.00 0.00 179.25 179.58 1kaq n ILE 64 N -4.29 0.00 -0.15 0.00 -5.35 -0.86 -4.64 119.36 104.07 1kaq n ILE 64 Ca 0.03 -0.36 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 1kaq n ILE 64 Cb 0.22 1.24 -0.02 0.00 -1.74 0.00 0.00 39.64 39.34 1kaq n ILE 64 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 1kaq h GLN 65 N 2.26 -0.24 0.00 6.28 3.07 -0.99 -0.40 115.11 125.09 1kaq h GLN 65 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1kaq h GLN 65 Cb 0.62 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.23 1kaq h GLN 65 CO 0.00 -0.16 0.05 -1.13 0.09 0.00 0.00 178.83 177.68 1kaq n SER 66 N -5.42 0.00 -4.39 0.06 3.41 -1.26 -4.56 113.62 101.46 1kaq n SER 66 Ca 0.02 0.31 -0.37 0.00 -0.26 0.00 0.00 58.87 58.57 1kaq n SER 66 Cb 0.35 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1kaq n SER 66 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1kaq s ASN 67 N -2.59 5.06 0.60 4.04 3.04 -0.16 -4.97 114.94 119.96 1kaq s ASN 67 Ca 0.00 -0.45 0.29 0.00 0.04 0.00 0.00 52.86 52.74 1kaq s ASN 67 Cb 0.00 -1.89 1.59 0.00 -1.54 0.00 0.00 41.25 39.41 1kaq s ASN 67 CO 0.00 -0.11 1.88 1.55 -3.04 0.00 0.00 177.10 177.38 1kaq h PRO 68 N 8.23 0.00 -0.48 0.43 0.13 -1.85 0.15 132.00 138.61 1kaq h PRO 68 Ca -0.35 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.50 1kaq h PRO 68 Cb 1.15 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 1kaq h PRO 68 CO 0.59 0.00 -0.03 0.43 -0.23 0.00 0.00 178.00 178.77 1kaq n SER 69 N -2.76 3.07 0.00 1.44 7.64 -1.26 -4.85 113.62 116.89 1kaq n SER 69 Ca -0.02 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1kaq n SER 69 Cb 0.31 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1kaq n SER 69 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1kaq n PHE 70 N -1.08 0.00 -2.33 1.43 -0.00 0.54 -3.04 117.46 112.98 1kaq n PHE 70 Ca 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.81 1kaq n PHE 70 Cb 1.07 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.53 1kaq n PHE 70 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1kaq n LYS 71 N -0.32 -4.54 0.00 3.97 4.01 -1.26 -4.22 118.16 115.79 1kaq n LYS 71 Ca 0.00 3.38 0.00 0.00 -0.51 0.00 0.00 58.31 61.18 1kaq n LYS 71 Cb 0.00 -4.49 0.00 0.00 -0.51 0.00 0.00 35.03 30.03 1kaq n LYS 71 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1kaq n LEU 72 N 1.62 0.00 0.00 -0.35 4.77 -1.26 -1.71 117.00 120.07 1kaq n LEU 72 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1kaq n LEU 72 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1kaq n LEU 72 CO 0.14 -0.06 0.00 1.21 -1.33 0.00 0.00 177.39 177.35 1kaq n GLU 73 N 0.00 0.00 -0.82 3.23 4.07 -1.17 -4.04 120.64 121.91 1kaq n GLU 73 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1kaq n GLU 73 Cb 0.00 0.00 0.30 0.00 -0.06 0.00 0.00 31.44 31.68 1kaq n GLU 73 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1kaq n LEU 74 N 0.00 5.24 0.02 4.31 4.77 -1.26 -3.88 117.00 126.21 1kaq n LEU 74 Ca 0.00 -2.69 0.19 0.00 -0.03 0.00 0.00 56.01 53.47 1kaq n LEU 74 Cb 0.00 -0.69 0.68 0.00 -2.33 0.00 0.00 43.42 41.09 1kaq n LEU 74 CO 0.00 0.66 1.17 1.62 -1.33 0.00 0.00 177.39 179.51 1kaq h VAL 75 N 2.77 0.76 0.00 4.08 3.04 -1.97 0.25 116.25 125.18 1kaq h VAL 75 Ca 0.12 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1kaq h VAL 75 Cb 1.93 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1kaq h VAL 75 CO 0.53 0.00 -0.07 -0.08 -1.01 0.00 0.00 177.57 176.95 1kaq h GLU 76 N 0.00 0.00 0.03 4.17 4.81 -1.81 -3.32 114.58 118.47 1kaq h GLU 76 Ca 0.23 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.20 1kaq h GLU 76 Cb 0.91 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1kaq h GLU 76 CO -0.00 0.00 -1.33 0.52 -0.73 0.00 0.00 179.01 177.47 1kaq h MET 77 N 0.00 0.07 0.00 1.92 2.86 -0.74 -3.40 114.93 115.63 1kaq h MET 77 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1kaq h MET 77 Cb 0.75 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1kaq h MET 77 CO 0.00 0.89 0.00 0.39 1.06 0.00 0.00 176.91 179.25 1kaq n GLU 78 N -3.30 0.00 -0.08 1.72 1.02 -1.18 -4.00 120.64 114.83 1kaq n GLU 78 Ca -0.09 0.51 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1kaq n GLU 78 Cb 1.00 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 31.36 1kaq n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1kaq n ARG 79 N -1.14 -0.08 -1.67 3.49 1.74 -1.26 -5.02 116.66 112.71 1kaq n ARG 79 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1kaq n ARG 79 Cb 0.00 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1kaq n ARG 79 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1kaq n GLU 80 N -3.28 -2.70 0.00 5.56 4.07 -1.26 -5.04 120.64 117.99 1kaq n GLU 80 Ca 0.00 2.20 0.00 0.00 -0.06 0.00 0.00 57.16 59.30 1kaq n GLU 80 Cb 0.05 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 28.77 1kaq n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1kaq n GLY 81 N 0.95 -0.58 0.00 8.31 0.00 -1.26 -5.07 105.19 107.54 1kaq n GLY 81 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1kaq n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kaq n PRO 82 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.33 135.00 130.98 1kaq n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1kaq n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1kaq n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kaq n SER 83 N 0.00 0.00 -4.34 3.54 2.88 -1.26 -4.79 113.62 109.66 1kaq n SER 83 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1kaq n SER 83 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1kaq n SER 83 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1kaq n TYR 84 N 0.00 -1.86 0.00 0.66 4.01 -1.26 -4.85 117.16 113.86 1kaq n TYR 84 Ca 0.00 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1kaq n TYR 84 Cb 0.00 -1.70 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 1kaq n TYR 84 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1kaq n THR 85 N -3.63 0.00 0.00 -0.72 -1.04 -1.26 -3.37 114.28 104.27 1kaq n THR 85 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1kaq n THR 85 Cb 0.56 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 1kaq n THR 85 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1kaq n PHE 86 N 0.00 0.00 -0.17 -1.42 7.35 -1.26 0.25 117.46 122.21 1kaq n PHE 86 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1kaq n PHE 86 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 1kaq n PHE 86 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1kaq h ASP 87 N 0.00 -0.51 0.38 -2.13 3.45 -1.91 1.25 116.42 116.96 1kaq h ASP 87 Ca 0.00 0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1kaq h ASP 87 Cb 0.00 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1kaq h ASP 87 CO 0.00 -0.18 -0.18 0.74 -1.57 0.00 0.00 179.24 178.05 1kaq h THR 88 N -0.01 0.54 -0.83 0.35 2.02 -0.26 -2.37 112.91 112.35 1kaq h THR 88 Ca 0.26 -0.56 0.19 0.00 0.77 0.00 0.00 66.41 67.07 1kaq h THR 88 Cb 0.40 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1kaq h THR 88 CO -0.55 0.09 0.56 0.58 0.37 0.00 0.00 175.52 176.57 1kaq h VAL 89 N -0.87 0.70 0.22 3.16 2.07 -1.55 0.32 116.25 120.30 1kaq h VAL 89 Ca -0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1kaq h VAL 89 Cb 0.54 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1kaq h VAL 89 CO 0.09 0.06 -0.11 0.28 0.02 0.00 0.00 177.57 177.91 1kaq h SER 90 N 0.34 -0.25 -0.65 0.57 0.02 0.17 1.10 113.55 114.86 1kaq h SER 90 Ca 0.42 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1kaq h SER 90 Cb 1.12 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1kaq h SER 90 CO -0.13 -0.11 0.26 0.25 -1.14 0.00 0.00 176.83 175.96 1kaq h LEU 91 N -0.37 0.91 -0.05 5.07 5.85 -0.37 -1.89 115.31 124.47 1kaq h LEU 91 Ca -0.03 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1kaq h LEU 91 Cb 0.28 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1kaq h LEU 91 CO 0.05 0.82 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.78 1kaq h LEU 92 N 0.97 0.20 -1.18 2.25 3.38 -0.19 1.29 115.31 122.04 1kaq h LEU 92 Ca 0.23 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1kaq h LEU 92 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1kaq h LEU 92 CO -0.02 0.75 0.12 0.29 0.09 0.00 0.00 178.44 179.67 1kaq n LYS 93 N -4.64 0.12 -0.09 1.13 5.02 0.38 0.22 118.16 120.30 1kaq n LYS 93 Ca -0.08 0.60 -0.15 0.00 -2.02 0.00 0.00 58.31 56.67 1kaq n LYS 93 Cb 0.37 -2.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.25 1kaq n LYS 93 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1kaq n GLN 94 N -2.15 0.68 0.15 1.97 7.27 -0.72 -3.83 117.38 120.75 1kaq n GLN 94 Ca -0.01 0.12 0.03 0.00 0.07 0.00 0.00 57.00 57.21 1kaq n GLN 94 Cb 0.14 -1.57 0.11 0.00 2.41 0.00 0.00 30.24 31.34 1kaq n GLN 94 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kaq h ARG 95 N 0.01 0.00 -2.32 3.69 3.08 0.89 -3.38 114.38 116.36 1kaq h ARG 95 Ca -0.52 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 58.94 1kaq h ARG 95 Cb 2.05 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.71 1kaq h ARG 95 CO -0.01 0.48 -0.95 0.66 -1.07 0.00 0.00 179.97 179.08 1kaq n TYR 96 N -3.31 -0.05 0.57 3.04 4.02 0.60 -4.96 117.16 117.08 1kaq n TYR 96 Ca 0.01 -3.54 0.12 0.00 -0.01 0.00 0.00 57.90 54.48 1kaq n TYR 96 Cb 0.68 -0.06 0.45 0.00 -0.02 0.00 0.00 39.34 40.39 1kaq n TYR 96 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1kaq n PRO 97 N 2.19 0.17 -0.17 -0.72 -0.02 -1.25 -3.25 135.00 131.95 1kaq n PRO 97 Ca 0.26 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1kaq n PRO 97 Cb 0.48 -1.75 0.15 0.00 -0.02 0.00 0.00 33.50 32.35 1kaq n PRO 97 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1kaq n ASN 98 N -2.06 2.90 -4.64 2.55 4.13 -1.26 -4.97 115.26 111.91 1kaq n ASN 98 Ca 0.04 -1.99 -0.33 0.00 1.68 0.00 0.00 54.58 53.98 1kaq n ASN 98 Cb 0.31 -0.22 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 1kaq n ASN 98 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1kaq s ASP 99 N -1.00 4.92 -0.30 6.41 1.01 -1.20 -4.30 116.67 122.21 1kaq s ASP 99 Ca 0.23 -0.05 -0.23 0.00 0.71 0.00 0.00 52.55 53.21 1kaq s ASP 99 Cb 0.12 -1.24 -0.00 0.00 1.01 0.00 0.00 42.92 42.81 1kaq s ASP 99 CO 0.15 0.29 0.75 -1.58 0.21 0.00 0.00 175.17 175.00 1kaq s GLN 100 N -1.42 3.95 0.01 8.23 0.74 -1.09 -4.96 119.66 125.13 1kaq s GLN 100 Ca 0.18 0.53 0.02 0.00 0.05 0.00 0.00 55.36 56.13 1kaq s GLN 100 Cb -0.11 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 1kaq s GLN 100 CO 0.08 -0.65 0.01 -0.51 -0.55 0.00 0.00 175.29 173.68 1kaq s LEU 101 N 2.87 3.56 -0.01 3.68 1.43 -1.26 0.96 118.68 129.92 1kaq s LEU 101 Ca 0.31 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1kaq s LEU 101 Cb -0.14 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1kaq s LEU 101 CO 0.12 0.27 -0.00 -0.36 0.23 0.00 0.00 176.35 176.60 1kaq s PHE 102 N -1.13 0.12 0.11 0.29 0.40 0.62 -4.06 117.98 114.33 1kaq s PHE 102 Ca 0.21 0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 1kaq s PHE 102 Cb -0.12 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.24 1kaq s PHE 102 CO 0.12 -0.03 0.32 0.12 0.70 0.00 0.00 175.22 176.45 1kaq s PHE 103 N 0.24 3.49 -0.06 0.36 5.36 0.18 0.15 117.98 127.70 1kaq s PHE 103 Ca -0.02 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.44 1kaq s PHE 103 Cb -0.04 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 1kaq s PHE 103 CO -0.01 0.49 -0.16 0.42 -1.46 0.00 0.00 175.22 174.51 1kaq s ILE 104 N -1.59 1.39 0.02 3.12 1.01 -0.12 -0.37 121.20 124.66 1kaq s ILE 104 Ca 0.38 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1kaq s ILE 104 Cb -0.12 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1kaq s ILE 104 CO 0.25 0.41 0.11 0.27 0.00 0.00 0.00 174.94 175.98 1kaq s ILE 105 N 0.36 0.11 0.49 2.92 -4.36 -0.70 -4.52 121.20 115.50 1kaq s ILE 105 Ca -0.11 -0.89 0.08 0.00 -0.26 0.00 0.00 60.65 59.47 1kaq s ILE 105 Cb -0.14 -0.64 0.04 0.00 1.25 0.00 0.00 42.46 42.96 1kaq s ILE 105 CO 0.04 -0.49 0.63 -0.83 0.24 0.00 0.00 174.94 174.53 1kaq s GLY 106 N -1.75 1.91 0.23 6.27 0.00 -1.26 -2.63 107.32 110.08 1kaq s GLY 106 Ca -0.10 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.63 1kaq s GLY 106 CO -0.02 -1.62 1.42 0.00 0.00 0.00 0.00 173.10 172.89 1kaq n ALA 107 N -1.97 0.00 -0.16 3.20 0.00 -1.26 -1.69 120.51 118.64 1kaq n ALA 107 Ca 0.10 0.95 -0.04 0.00 0.00 0.00 0.00 53.44 54.44 1kaq n ALA 107 Cb 0.61 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1kaq n ALA 107 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kaq n ASP 108 N -5.40 -0.40 0.15 0.00 2.03 -1.26 -1.02 116.55 110.65 1kaq n ASP 108 Ca 0.11 1.23 0.04 0.00 0.52 0.00 0.00 54.79 56.70 1kaq n ASP 108 Cb 0.40 -0.37 0.45 0.00 -0.72 0.00 0.00 41.12 40.88 1kaq n ASP 108 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1kaq h MET 109 N 0.00 0.19 -0.60 -0.67 2.86 -1.70 -2.43 114.93 112.57 1kaq h MET 109 Ca 0.06 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1kaq h MET 109 Cb 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1kaq h MET 109 CO -0.35 0.28 0.40 0.82 1.06 0.00 0.00 176.91 179.12 1kaq h ILE 110 N 0.18 0.92 0.00 -1.22 2.04 -0.37 0.66 117.51 119.72 1kaq h ILE 110 Ca 0.04 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1kaq h ILE 110 Cb 0.27 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1kaq h ILE 110 CO 0.01 0.08 -0.30 -0.33 0.00 0.00 0.00 178.15 177.62 1kaq h GLU 111 N 0.46 0.00 0.01 2.37 5.08 -0.90 -3.37 114.58 118.23 1kaq h GLU 111 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1kaq h GLU 111 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1kaq h GLU 111 CO -0.08 0.30 -0.01 1.88 -1.00 0.00 0.00 179.01 180.10 1kaq h TYR 112 N 0.00 -0.02 0.00 4.33 0.99 -0.94 -3.49 116.97 117.84 1kaq h TYR 112 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1kaq h TYR 112 Cb 0.65 0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.38 1kaq h TYR 112 CO 0.00 -0.01 0.00 -0.11 -0.00 0.00 0.00 178.16 178.04 1kaq n LEU 113 N -2.59 0.00 0.00 3.88 7.94 -1.15 -4.60 117.00 120.47 1kaq n LEU 113 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kaq n LEU 113 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1kaq n LEU 113 CO 0.01 0.00 0.00 -0.81 -1.11 0.00 0.00 177.39 175.48 1kaq n PRO 114 N 0.00 0.00 0.00 1.96 -0.04 -1.26 -3.19 135.00 132.47 1kaq n PRO 114 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1kaq n PRO 114 Cb 0.00 0.00 0.39 0.00 -0.04 0.00 0.00 33.50 33.85 1kaq n PRO 114 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kaq n LYS 115 N 0.00 0.74 0.00 0.54 3.00 -1.26 -4.46 118.16 116.72 1kaq n LYS 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1kaq n LYS 115 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 33.75 1kaq n LYS 115 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1kaq n TRP 116 N -0.78 0.00 -1.33 5.64 -0.00 -1.19 -4.78 117.44 115.00 1kaq n TRP 116 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.58 1kaq n TRP 116 Cb 0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 31.31 31.16 1kaq n TRP 116 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1kaq n TYR 117 N 1.70 -0.09 -0.44 5.87 0.53 -1.26 -4.46 117.16 119.01 1kaq n TYR 117 Ca 0.00 0.04 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 1kaq n TYR 117 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 39.34 37.99 1kaq n TYR 117 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1kaq n LYS 118 N 0.64 -1.18 0.00 -0.72 4.81 -1.26 -4.91 118.16 115.53 1kaq n LYS 118 Ca -0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1kaq n LYS 118 Cb 0.15 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1kaq n LYS 118 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1kaq n LEU 119 N -1.67 0.00 0.00 3.14 -0.00 -1.26 -4.86 117.00 112.35 1kaq n LEU 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1kaq n LEU 119 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1kaq n LEU 119 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.49 1kaq n ASP 120 N -0.82 0.00 0.09 1.96 5.68 -1.26 0.23 116.55 122.43 1kaq n ASP 120 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1kaq n ASP 120 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1kaq n ASP 120 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1kaq h GLU 121 N 0.00 -0.25 -0.99 0.11 4.81 -1.99 -3.22 114.58 113.05 1kaq h GLU 121 Ca 0.00 0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.60 1kaq h GLU 121 Cb 0.00 0.06 -0.18 0.00 0.63 0.00 0.00 28.75 29.26 1kaq h GLU 121 CO 0.00 -0.16 0.34 1.25 -0.73 0.00 0.00 179.01 179.70 1kaq h LEU 122 N -0.45 0.02 -1.72 1.64 5.85 0.25 0.98 115.31 121.88 1kaq h LEU 122 Ca -0.03 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1kaq h LEU 122 Cb 0.20 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1kaq h LEU 122 CO 0.04 -0.37 0.05 -0.07 -0.34 0.00 0.00 178.44 177.75 1kaq h LEU 123 N 0.04 0.20 0.00 2.25 3.38 -1.34 0.39 115.31 120.23 1kaq h LEU 123 Ca 0.73 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.69 1kaq h LEU 123 Cb 1.77 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1kaq h LEU 123 CO -0.81 0.20 0.00 -3.20 0.09 0.00 0.00 178.44 174.73 1kaq n ASN 124 N -4.45 0.00 0.00 -0.43 5.15 0.34 -3.47 115.26 112.41 1kaq n ASN 124 Ca -0.01 -1.18 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 1kaq n ASN 124 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1kaq n ASN 124 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1kaq n LEU 125 N -0.79 1.81 -4.38 1.20 4.77 0.97 -5.10 117.00 115.49 1kaq n LEU 125 Ca 0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 1kaq n LEU 125 Cb 0.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1kaq n LEU 125 CO 0.08 0.29 -0.25 -0.51 -1.33 0.00 0.00 177.39 175.68 1kaq s ILE 126 N -1.95 0.73 0.02 -0.08 2.07 0.92 -4.95 121.20 117.95 1kaq s ILE 126 Ca 0.00 -2.00 0.08 0.00 -1.41 0.00 0.00 60.65 57.32 1kaq s ILE 126 Cb 0.00 -2.65 -0.02 0.00 0.13 0.00 0.00 42.46 39.92 1kaq s ILE 126 CO 0.00 0.00 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.69 1kaq s GLN 127 N -3.94 1.73 -0.03 3.50 -0.21 -1.26 -4.41 119.66 115.05 1kaq s GLN 127 Ca 0.36 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.77 1kaq s GLN 127 Cb 0.07 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 1kaq s GLN 127 CO 0.15 0.47 0.17 -0.06 -2.12 0.00 0.00 175.29 173.90 1kaq s PHE 128 N -0.69 3.54 -0.12 0.91 0.40 -1.26 0.52 117.98 121.29 1kaq s PHE 128 Ca 0.09 0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1kaq s PHE 128 Cb -0.09 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.61 1kaq s PHE 128 CO 0.01 0.66 -0.18 0.42 0.70 0.00 0.00 175.22 176.82 1kaq s ILE 129 N -1.26 1.71 0.01 0.64 1.01 0.50 -0.92 121.20 122.89 1kaq s ILE 129 Ca 0.25 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1kaq s ILE 129 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1kaq s ILE 129 CO 0.16 0.48 0.07 -0.83 0.00 0.00 0.00 174.94 174.82 1kaq s GLY 130 N 0.85 2.00 0.00 6.18 0.00 0.11 -1.71 107.32 114.74 1kaq s GLY 130 Ca -0.08 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 43.83 1kaq s GLY 130 CO -0.00 -0.81 0.94 -0.62 0.00 0.00 0.00 173.10 172.61 1kaq n VAL 131 N 1.07 0.26 0.00 1.40 0.31 -1.08 -1.81 118.33 118.47 1kaq n VAL 131 Ca -0.12 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1kaq n VAL 131 Cb 0.52 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 1kaq n VAL 131 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1kaq n VAL 138 N 0.56 0.00 0.00 2.52 3.14 -1.26 -4.56 118.33 118.73 1kaq n VAL 138 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1kaq n VAL 138 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 1kaq n VAL 138 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1kaq n GLU 139 N -1.74 0.00 0.00 1.45 0.28 -1.26 -5.13 120.64 114.24 1kaq n GLU 139 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1kaq n GLU 139 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1kaq n GLU 139 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1kaq n THR 140 N -0.07 0.00 0.15 3.84 -2.24 -1.26 -4.86 114.28 109.84 1kaq n THR 140 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1kaq n THR 140 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 1kaq n THR 140 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1kaq n PRO 141 N 0.00 2.83 -4.19 -0.78 -0.04 -1.26 -4.92 135.00 126.64 1kaq n PRO 141 Ca 0.00 -1.76 -0.28 0.00 -0.04 0.00 0.00 63.50 61.43 1kaq n PRO 141 Cb 0.00 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 1kaq n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kaq s TYR 142 N -1.81 2.87 -0.32 0.54 2.02 -1.26 -5.06 117.35 114.32 1kaq s TYR 142 Ca 0.31 -0.12 -0.28 0.00 -0.37 0.00 0.00 57.07 56.62 1kaq s TYR 142 Cb 0.21 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 1kaq s TYR 142 CO 0.13 0.50 1.97 -1.25 -1.57 0.00 0.00 175.55 175.33 1kaq s PRO 143 N -2.73 3.14 -0.09 -1.71 0.04 -1.26 -4.94 135.00 127.45 1kaq s PRO 143 Ca 0.26 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1kaq s PRO 143 Cb -0.10 -4.29 0.04 0.00 0.04 0.00 0.00 34.50 30.19 1kaq s PRO 143 CO 0.18 -2.09 0.20 -1.17 0.04 0.00 0.00 177.00 174.16 1kaq s LEU 144 N 7.82 0.60 0.33 -3.56 0.20 -1.26 -4.57 118.68 118.25 1kaq s LEU 144 Ca 0.86 0.42 -0.08 0.00 0.69 0.00 0.00 54.13 56.02 1kaq s LEU 144 Cb -0.25 0.57 -0.06 0.00 -0.43 0.00 0.00 46.19 46.02 1kaq s LEU 144 CO 0.33 -0.15 0.65 -0.76 -0.29 0.00 0.00 176.35 176.13 1kaq s LEU 145 N 1.15 3.97 0.21 -0.68 1.43 -0.10 -4.88 118.68 119.78 1kaq s LEU 145 Ca -0.09 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.05 1kaq s LEU 145 Cb -0.10 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1kaq s LEU 145 CO -0.07 -0.27 -0.16 -0.36 0.23 0.00 0.00 176.35 175.72 1kaq s PHE 146 N -2.17 2.45 -0.08 0.29 0.08 -1.26 0.07 117.98 117.36 1kaq s PHE 146 Ca 0.48 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1kaq s PHE 146 Cb -0.11 -1.17 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1kaq s PHE 146 CO 0.29 0.55 0.06 0.00 -0.10 0.00 0.00 175.22 176.02 1kaq s ALA 147 N -1.88 0.38 0.06 5.36 0.00 -0.75 -4.90 121.76 120.04 1kaq s ALA 147 Ca 0.25 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 1kaq s ALA 147 Cb -0.08 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 1kaq s ALA 147 CO 0.13 -0.66 1.92 -0.51 0.00 0.00 0.00 175.76 176.65 1kaq s ASP 148 N 2.12 6.44 -0.00 0.00 1.11 -1.26 -4.53 116.67 120.55 1kaq s ASP 148 Ca 0.04 2.69 -0.17 0.00 0.18 0.00 0.00 52.55 55.29 1kaq s ASP 148 Cb -0.13 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.35 1kaq s ASP 148 CO -0.05 -1.04 0.36 -0.69 1.18 0.00 0.00 175.17 174.93 1kaq s VAL 149 N 3.97 0.05 0.78 -1.27 1.01 -1.26 -4.89 120.40 118.79 1kaq s VAL 149 Ca 0.86 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1kaq s VAL 149 Cb -0.43 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.06 1kaq s VAL 149 CO 0.40 -0.25 -0.94 -0.81 0.00 0.00 0.00 175.10 173.50 1kaq n PRO 150 N 1.03 0.00 -3.79 2.72 -0.04 -1.26 -4.98 135.00 128.68 1kaq n PRO 150 Ca -0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 1kaq n PRO 150 Cb 0.57 -0.78 -0.12 0.00 -0.04 0.00 0.00 33.50 33.13 1kaq n PRO 150 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1kaq s GLU 151 N -1.55 1.85 0.27 0.54 -6.30 -1.26 -5.05 118.70 107.20 1kaq s GLU 151 Ca 0.29 -2.70 0.06 0.00 -2.50 0.00 0.00 54.97 50.13 1kaq s GLU 151 Cb -0.02 -2.85 -0.03 0.00 0.00 0.00 0.00 34.13 31.23 1kaq s GLU 151 CO 0.57 -1.23 0.29 0.12 0.02 0.00 0.00 175.26 175.03 1kaq s PHE 152 N -0.56 3.21 -0.55 5.30 5.99 -1.26 -5.08 117.98 125.03 1kaq s PHE 152 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 56.93 57.10 1kaq s PHE 152 Cb -0.12 -1.56 0.20 0.00 0.00 0.00 0.00 43.02 41.53 1kaq s PHE 152 CO -0.10 0.40 0.49 -1.91 -0.00 0.00 0.00 175.22 174.11 1kaq n GLU 153 N -1.33 1.22 -3.75 10.12 2.13 -1.26 -5.07 120.64 122.70 1kaq n GLU 153 Ca -0.07 -3.88 -0.12 0.00 0.66 0.00 0.00 57.16 53.75 1kaq n GLU 153 Cb 0.58 -1.90 -0.12 0.00 0.27 0.00 0.00 31.44 30.27 1kaq n GLU 153 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1kaq s VAL 154 N -1.08 -0.01 0.05 6.31 0.11 -1.26 -5.14 120.40 119.38 1kaq s VAL 154 Ca 0.32 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1kaq s VAL 154 Cb 0.05 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1kaq s VAL 154 CO -0.14 0.02 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.66 1kaq s SER 155 N 0.61 0.57 0.17 3.54 1.04 -1.26 -4.83 113.70 113.55 1kaq s SER 155 Ca -0.04 -0.77 -0.14 0.00 0.48 0.00 0.00 55.95 55.49 1kaq s SER 155 Cb -0.05 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.26 1kaq s SER 155 CO -0.04 -0.42 1.83 0.77 0.98 0.00 0.00 173.24 176.36 1kaq h SER 156 N 3.82 0.63 0.00 7.02 4.64 -1.90 -1.29 113.55 126.47 1kaq h SER 156 Ca -0.34 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1kaq h SER 156 Cb 1.18 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1kaq h SER 156 CO 0.54 0.48 0.27 0.74 -0.87 0.00 0.00 176.83 177.98 1kaq h THR 157 N 0.73 0.00 0.28 2.95 2.02 -1.93 0.37 112.91 117.33 1kaq h THR 157 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1kaq h THR 157 Cb -0.06 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1kaq h THR 157 CO -0.04 0.00 -0.13 -0.03 0.37 0.00 0.00 175.52 175.69 1kaq h MET 158 N 0.00 -0.36 -0.22 6.66 -1.53 -1.65 -3.21 114.93 114.63 1kaq h MET 158 Ca 0.00 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.34 1kaq h MET 158 Cb 0.54 0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.59 1kaq h MET 158 CO 0.00 -0.23 -0.39 0.82 0.14 0.00 0.00 176.91 177.25 1kaq h ILE 159 N -1.10 0.17 -0.94 1.77 1.08 -0.34 0.67 117.51 118.82 1kaq h ILE 159 Ca -0.04 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.71 1kaq h ILE 159 Cb 0.29 0.17 -0.15 0.00 -3.07 0.00 0.00 36.82 34.06 1kaq h ILE 159 CO 0.06 0.00 0.34 0.03 -0.69 0.00 0.00 178.15 177.89 1kaq h ARG 160 N -0.41 0.20 0.12 2.37 3.08 -1.06 3.17 114.38 121.85 1kaq h ARG 160 Ca 0.10 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 1kaq h ARG 160 Cb 0.59 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.62 1kaq h ARG 160 CO -0.44 0.13 -1.11 0.93 -1.07 0.00 0.00 179.97 178.41 1kaq h GLU 161 N 0.21 0.53 0.07 0.04 5.08 -1.29 -3.09 114.58 116.13 1kaq h GLU 161 Ca 0.64 -0.74 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1kaq h GLU 161 Cb 1.38 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 1kaq h GLU 161 CO -0.67 1.33 -0.53 -0.09 -1.00 0.00 0.00 179.01 178.04 1kaq h ARG 162 N 0.09 -0.69 -0.15 2.33 9.65 0.66 0.19 114.38 126.46 1kaq h ARG 162 Ca -0.17 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1kaq h ARG 162 Cb 1.81 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.55 1kaq h ARG 162 CO 0.21 -0.46 0.00 1.19 2.80 0.00 0.00 179.97 183.71 1kaq n PHE 163 N -5.43 0.00 -3.07 2.20 3.72 0.99 -1.14 117.46 114.73 1kaq n PHE 163 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1kaq n PHE 163 Cb 0.40 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1kaq n PHE 163 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1kaq s LYS 164 N -1.16 0.75 0.00 -1.08 2.47 0.68 -4.68 119.74 116.71 1kaq s LYS 164 Ca 0.00 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1kaq s LYS 164 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1kaq s LYS 164 CO 0.00 -1.06 0.00 0.45 0.16 0.00 0.00 175.35 174.90 1kaq n SER 165 N 4.05 0.00 -2.79 1.43 2.88 -1.22 -4.68 113.62 113.28 1kaq n SER 165 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1kaq n SER 165 Cb 0.58 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1kaq n SER 165 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kaq n LYS 166 N 0.00 -0.75 -3.65 -1.46 0.00 -0.97 -4.98 118.16 106.35 1kaq n LYS 166 Ca 0.00 0.43 -0.21 0.00 -0.00 0.00 0.00 58.31 58.53 1kaq n LYS 166 Cb 0.00 -0.96 -0.03 0.00 -0.00 0.00 0.00 35.03 34.04 1kaq n LYS 166 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1kaq s LYS 167 N -2.64 2.72 0.00 -1.58 1.02 -0.29 -5.03 119.74 113.94 1kaq s LYS 167 Ca 0.06 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1kaq s LYS 167 Cb -0.01 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1kaq s LYS 167 CO 0.40 -0.02 0.36 -2.30 -0.92 0.00 0.00 175.35 172.87 1kaq n PRO 168 N -1.49 0.00 -0.13 -1.68 -0.02 -1.26 -4.62 135.00 125.80 1kaq n PRO 168 Ca 0.01 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1kaq n PRO 168 Cb 0.60 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 1kaq n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1kaq n THR 169 N -2.25 0.00 -2.53 3.45 5.66 -1.26 -4.97 114.28 112.39 1kaq n THR 169 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1kaq n THR 169 Cb 0.00 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 1kaq n THR 169 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1kaq s ASP 170 N -2.44 6.41 0.00 1.09 1.11 -1.26 -3.18 116.67 118.40 1kaq s ASP 170 Ca 0.00 1.97 0.00 0.00 0.18 0.00 0.00 52.55 54.70 1kaq s ASP 170 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1kaq s ASP 170 CO 0.00 -0.73 0.00 -1.22 1.18 0.00 0.00 175.17 174.40 1kaq n TYR 171 N -0.76 0.00 -0.09 4.23 4.02 -1.26 -4.70 117.16 118.60 1kaq n TYR 171 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.86 1kaq n TYR 171 Cb 0.52 -1.25 -0.09 0.00 -0.02 0.00 0.00 39.34 38.51 1kaq n TYR 171 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kaq n LEU 172 N 0.00 2.66 -4.25 7.72 4.77 -1.19 -4.94 117.00 121.77 1kaq n LEU 172 Ca 0.00 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 1kaq n LEU 172 Cb 0.22 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 1kaq n LEU 172 CO 0.00 0.75 -0.47 0.27 -1.33 0.00 0.00 177.39 176.61 1kaq s ILE 173 N -2.35 1.45 0.79 -0.08 -4.36 -1.23 -1.10 121.20 114.32 1kaq s ILE 173 Ca -0.22 -1.66 -0.15 0.00 -0.26 0.00 0.00 60.65 58.36 1kaq s ILE 173 Cb 0.06 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 42.27 1kaq s ILE 173 CO 0.43 -0.30 0.76 -2.65 0.24 0.00 0.00 174.94 173.41 1kaq n PRO 174 N 0.70 0.19 0.25 0.37 -0.02 -1.26 -4.81 135.00 130.43 1kaq n PRO 174 Ca -0.17 0.12 0.17 0.00 -2.02 0.00 0.00 63.50 61.60 1kaq n PRO 174 Cb 0.56 -2.06 0.72 0.00 -0.02 0.00 0.00 33.50 32.70 1kaq n PRO 174 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1kaq h ASP 175 N -0.72 0.00 0.04 2.55 1.82 -2.00 -2.45 116.42 115.66 1kaq h ASP 175 Ca -0.46 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 55.91 1kaq h ASP 175 Cb 1.32 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.35 1kaq h ASP 175 CO 0.43 0.00 -1.11 0.11 -1.61 0.00 0.00 179.24 177.06 1kaq h LYS 176 N 0.00 0.68 -0.33 0.28 1.79 -1.94 -2.90 116.57 114.15 1kaq h LYS 176 Ca 0.00 -0.78 -0.10 0.00 -2.18 0.00 0.00 60.65 57.58 1kaq h LYS 176 Cb 0.38 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1kaq h LYS 176 CO 0.00 1.35 -0.22 0.28 -1.08 0.00 0.00 179.45 179.77 1kaq h VAL 177 N 0.35 1.27 0.77 0.50 2.07 -1.78 -2.47 116.25 116.96 1kaq h VAL 177 Ca -0.15 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1kaq h VAL 177 Cb 1.77 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1kaq h VAL 177 CO 0.22 0.42 -0.37 0.50 0.02 0.00 0.00 177.57 178.36 1kaq h LYS 178 N 0.56 -0.99 -0.50 1.57 3.64 -1.52 -2.62 116.57 116.70 1kaq h LYS 178 Ca 0.08 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1kaq h LYS 178 Cb 0.69 0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.63 1kaq h LYS 178 CO 0.05 -0.65 -0.20 0.87 -2.27 0.00 0.00 179.45 177.25 1kaq h LYS 179 N -1.09 -0.08 -0.82 1.90 1.57 -1.47 -1.03 116.57 115.54 1kaq h LYS 179 Ca -0.11 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1kaq h LYS 179 Cb 0.80 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.04 1kaq h LYS 179 CO 0.17 -0.06 0.40 -0.92 -0.57 0.00 0.00 179.45 178.48 1kaq h TYR 180 N -0.09 0.70 -0.12 -1.35 3.20 -1.35 0.22 116.97 118.18 1kaq h TYR 180 Ca 0.24 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1kaq h TYR 180 Cb 0.45 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1kaq h TYR 180 CO -0.49 0.16 0.01 0.28 -1.64 0.00 0.00 178.16 176.48 1kaq h VAL 181 N 0.58 1.23 -0.71 1.81 2.07 -0.85 -0.58 116.25 119.80 1kaq h VAL 181 Ca 0.44 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1kaq h VAL 181 Cb 0.62 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1kaq h VAL 181 CO -0.36 0.22 0.46 -0.33 0.02 0.00 0.00 177.57 177.57 1kaq h GLU 182 N -0.03 0.88 0.36 1.57 5.08 -0.34 -3.23 114.58 118.87 1kaq h GLU 182 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1kaq h GLU 182 Cb 0.32 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1kaq h GLU 182 CO 0.00 0.58 -0.17 0.93 -1.00 0.00 0.00 179.01 179.35 1kaq h GLU 183 N 0.91 -0.47 -0.01 2.33 5.08 -0.51 -3.51 114.58 118.41 1kaq h GLU 183 Ca 0.28 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1kaq h GLU 183 Cb -0.03 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1kaq h GLU 183 CO -0.09 -0.16 0.00 -1.71 -1.00 0.00 0.00 179.01 176.05