#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3haj s SER 18 N 0.00 4.09 0.55 1.67 0.15 -1.26 -4.89 113.70 114.01 3haj s SER 18 Ca 0.00 2.43 0.23 0.00 0.70 0.00 0.00 55.95 59.31 3haj s SER 18 Cb 0.00 -2.60 1.45 0.00 -1.71 0.00 0.00 66.02 63.16 3haj s SER 18 CO 0.00 -2.34 2.09 0.15 1.20 0.00 0.00 173.24 174.34 3haj h PHE 19 N -0.29 0.00 0.00 3.44 3.57 -2.02 -2.73 116.94 118.91 3haj h PHE 19 Ca -0.48 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.94 3haj h PHE 19 Cb 1.31 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3haj h PHE 19 CO 0.45 0.00 -0.37 -1.49 -2.23 0.00 0.00 178.31 174.67 3haj h TRP 20 N 0.00 0.00 -3.93 0.41 4.06 -1.93 -3.34 115.95 111.22 3haj h TRP 20 Ca 0.11 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.54 3haj h TRP 20 Cb 0.50 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 28.74 3haj h TRP 20 CO 0.00 0.37 0.65 -1.21 -3.56 0.00 0.00 178.44 174.69 3haj s GLU 21 N -3.11 4.11 0.26 0.49 2.02 -1.03 -4.88 118.70 116.55 3haj s GLU 21 Ca 0.04 2.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.97 3haj s GLU 21 Cb 0.08 -2.89 -0.13 0.00 0.10 0.00 0.00 34.13 31.28 3haj s GLU 21 CO 0.72 -0.41 1.33 1.33 0.02 0.00 0.00 175.26 178.24 3haj n VAL 22 N 0.39 1.26 -0.84 2.63 0.24 -1.26 -1.89 118.33 118.85 3haj n VAL 22 Ca 0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3haj n VAL 22 Cb 0.42 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 3haj n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3haj n GLY 23 N 1.77 1.22 0.08 7.63 0.00 -1.26 -4.86 105.19 109.76 3haj n GLY 23 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3haj n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3haj n ASN 24 N 0.00 0.66 0.24 1.61 3.02 -0.79 -3.06 115.26 116.94 3haj n ASN 24 Ca 0.00 0.44 0.16 0.00 -0.03 0.00 0.00 54.58 55.16 3haj n ASN 24 Cb 0.00 -0.52 0.83 0.00 -0.61 0.00 0.00 39.78 39.48 3haj n ASN 24 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3haj h TYR 25 N 0.00 0.00 -0.30 3.10 -0.00 -1.79 -2.67 116.97 115.32 3haj h TYR 25 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.73 58.82 3haj h TYR 25 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.41 3haj h TYR 25 CO 0.00 0.00 0.30 1.57 -0.00 0.00 0.00 178.16 180.03 3haj h LYS 26 N 0.00 0.00 -0.50 0.10 2.10 -1.92 -0.52 116.57 115.82 3haj h LYS 26 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3haj h LYS 26 Cb 0.10 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 3haj h LYS 26 CO 0.00 0.00 0.33 -0.09 -2.00 0.00 0.00 179.45 177.69 3haj h ARG 27 N 0.00 0.66 0.00 0.07 9.65 -1.75 0.44 114.38 123.45 3haj h ARG 27 Ca 0.14 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.84 3haj h ARG 27 Cb 0.74 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 3haj h ARG 27 CO -0.00 0.44 -0.70 1.79 2.80 0.00 0.00 179.97 184.30 3haj h THR 28 N 0.68 1.45 -0.27 0.20 1.35 -1.35 -2.90 112.91 112.08 3haj h THR 28 Ca 0.19 -2.44 -0.18 0.00 -0.55 0.00 0.00 66.41 63.43 3haj h THR 28 Cb -0.08 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3haj h THR 28 CO -0.04 0.69 -0.54 0.58 -0.25 0.00 0.00 175.52 175.95 3haj h VAL 29 N 0.00 1.28 0.00 6.82 2.07 -0.96 -2.43 116.25 123.03 3haj h VAL 29 Ca -0.01 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 3haj h VAL 29 Cb 1.28 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3haj h VAL 29 CO 0.09 0.56 -0.01 0.50 0.02 0.00 0.00 177.57 178.73 3haj h LYS 30 N 0.62 0.00 0.00 1.57 1.63 -0.02 -2.17 116.57 118.19 3haj h LYS 30 Ca 0.01 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 3haj h LYS 30 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3haj h LYS 30 CO 0.12 0.01 -0.19 -0.09 -3.45 0.00 0.00 179.45 175.84 3haj h ARG 31 N 0.00 0.00 -0.12 1.90 2.43 -1.23 -2.65 114.38 114.71 3haj h ARG 31 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3haj h ARG 31 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3haj h ARG 31 CO 0.00 0.19 -0.39 0.82 -1.51 0.00 0.00 179.97 179.09 3haj h ILE 32 N 0.00 1.37 -0.68 1.20 2.04 -1.50 -1.76 117.51 118.18 3haj h ILE 32 Ca -0.00 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 3haj h ILE 32 Cb 0.50 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 3haj h ILE 32 CO 0.03 0.51 0.29 0.44 0.00 0.00 0.00 178.15 179.41 3haj h ASP 33 N 0.07 0.90 -0.15 1.72 3.45 -1.66 -2.59 116.42 118.15 3haj h ASP 33 Ca -0.01 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 3haj h ASP 33 Cb 1.01 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 3haj h ASP 33 CO 0.08 0.79 -0.14 0.44 -1.57 0.00 0.00 179.24 178.84 3haj h ASP 34 N 0.97 0.53 -0.91 6.45 3.32 -1.38 -2.62 116.42 122.78 3haj h ASP 34 Ca 0.23 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3haj h ASP 34 Cb 0.16 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3haj h ASP 34 CO -0.02 0.70 0.60 1.23 -1.72 0.00 0.00 179.24 180.02 3haj h GLY 35 N 0.95 1.32 1.01 2.75 0.00 -0.91 -1.14 103.07 107.04 3haj h GLY 35 Ca 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 3haj h GLY 35 CO 0.03 0.41 -0.12 0.84 0.00 0.00 0.00 176.54 177.70 3haj h HIS 36 N 1.17 0.93 -0.41 5.60 -0.00 -1.39 -2.65 115.15 118.41 3haj h HIS 36 Ca 0.36 -0.21 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3haj h HIS 36 Cb -0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.12 3haj h HIS 36 CO -0.01 0.95 0.26 -0.09 -0.00 0.00 0.00 177.93 179.04 3haj h ARG 37 N 0.65 0.52 -0.47 5.26 2.43 -1.12 -2.76 114.38 118.87 3haj h ARG 37 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3haj h ARG 37 Cb 0.66 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3haj h ARG 37 CO 0.05 0.34 0.22 -0.07 -1.51 0.00 0.00 179.97 179.00 3haj h LEU 38 N 0.53 0.59 -0.92 3.80 3.38 -1.12 0.21 115.31 121.79 3haj h LEU 38 Ca 0.15 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3haj h LEU 38 Cb -0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3haj h LEU 38 CO -0.05 0.51 0.61 0.00 0.09 0.00 0.00 178.44 179.61 3haj h SER 40 N 1.25 1.02 0.03 0.00 0.02 -0.66 -1.83 113.55 113.37 3haj h SER 40 Ca 0.34 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3haj h SER 40 Cb -0.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.12 3haj h SER 40 CO -0.08 1.21 -0.01 0.44 -1.14 0.00 0.00 176.83 177.25 3haj h ASP 41 N 0.83 -0.03 -0.92 3.07 3.32 -0.31 -0.41 116.42 121.97 3haj h ASP 41 Ca 0.10 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.02 3haj h ASP 41 Cb 0.86 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 3haj h ASP 41 CO 0.08 0.18 0.58 0.25 -1.72 0.00 0.00 179.24 178.60 3haj h LEU 42 N -0.24 0.91 -0.25 1.55 5.85 -1.03 0.38 115.31 122.48 3haj h LEU 42 Ca -0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3haj h LEU 42 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3haj h LEU 42 CO 0.01 0.58 0.10 0.24 -0.34 0.00 0.00 178.44 179.02 3haj h MET 43 N 1.04 0.21 -0.46 1.25 2.86 -1.02 -1.19 114.93 117.63 3haj h MET 43 Ca 0.40 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.92 3haj h MET 43 Cb 0.18 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3haj h MET 43 CO -0.18 0.14 -0.13 -0.91 1.06 0.00 0.00 176.91 176.89 3haj h ASN 44 N 0.22 0.86 -0.35 1.22 -0.26 -0.42 -2.22 115.58 114.63 3haj h ASN 44 Ca 0.11 -0.28 0.01 0.00 -0.56 0.00 0.00 56.30 55.58 3haj h ASN 44 Cb 0.06 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 3haj h ASN 44 CO -0.10 1.00 0.21 0.00 -1.06 0.00 0.00 177.43 177.48 3haj h LEU 46 N 0.43 0.67 -0.23 0.00 3.38 -1.17 -2.88 115.31 115.50 3haj h LEU 46 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3haj h LEU 46 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3haj h LEU 46 CO -0.06 0.90 0.12 -0.74 0.09 0.00 0.00 178.44 178.75 3haj h HIS 47 N 0.57 0.33 0.00 1.13 2.76 -1.06 -0.22 115.15 118.65 3haj h HIS 47 Ca 0.08 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3haj h HIS 47 Cb 0.74 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3haj h HIS 47 CO 0.03 0.30 -0.18 0.93 -1.30 0.00 0.00 177.93 177.72 3haj h GLU 48 N 0.26 0.00 -0.10 5.26 5.08 -1.39 -0.51 114.58 123.18 3haj h GLU 48 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3haj h GLU 48 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3haj h GLU 48 CO -0.01 0.18 -0.29 -0.09 -1.00 0.00 0.00 179.01 177.79 3haj h ARG 49 N 0.00 0.38 -0.24 2.33 9.65 -1.21 -2.43 114.38 122.86 3haj h ARG 49 Ca -0.00 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.58 3haj h ARG 49 Cb 0.50 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3haj h ARG 49 CO 0.02 0.89 0.01 0.00 2.80 0.00 0.00 179.97 183.69 3haj h ALA 50 N 0.49 1.59 -0.12 2.80 0.00 -0.44 -1.27 119.26 122.30 3haj h ALA 50 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3haj h ALA 50 Cb 0.91 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3haj h ALA 50 CO 0.06 0.31 -0.65 0.00 0.00 0.00 0.00 179.25 178.97 3haj h ARG 51 N 0.34 0.47 -0.35 0.00 3.08 -1.10 -2.11 114.38 114.71 3haj h ARG 51 Ca 0.08 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3haj h ARG 51 Cb 0.21 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3haj h ARG 51 CO 0.00 0.96 0.13 0.82 -1.07 0.00 0.00 179.97 180.81 3haj h ILE 52 N 0.34 1.20 -0.97 2.04 2.04 -0.90 -1.56 117.51 119.70 3haj h ILE 52 Ca -0.01 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.30 3haj h ILE 52 Cb 1.21 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 3haj h ILE 52 CO 0.12 0.22 0.62 -0.33 0.00 0.00 0.00 178.15 178.78 3haj h GLU 53 N 0.42 1.04 -0.10 2.37 4.39 -1.13 -2.18 114.58 119.39 3haj h GLU 53 Ca 0.12 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3haj h GLU 53 Cb 0.22 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3haj h GLU 53 CO -0.01 0.69 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.28 3haj h LYS 54 N 1.07 0.20 -0.73 2.33 3.11 -1.12 -1.88 116.57 119.54 3haj h LYS 54 Ca 0.44 -0.08 0.07 0.00 -2.81 0.00 0.00 60.65 58.26 3haj h LYS 54 Cb 0.28 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.44 3haj h LYS 54 CO -0.19 0.52 0.42 0.00 -2.81 0.00 0.00 179.45 177.40 3haj h ALA 55 N 0.67 1.00 0.01 5.00 0.00 -0.98 0.21 119.26 125.18 3haj h ALA 55 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3haj h ALA 55 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3haj h ALA 55 CO 0.01 0.10 -0.00 -0.92 0.00 0.00 0.00 179.25 178.44 3haj h TYR 56 N 0.76 -0.01 -0.86 0.00 3.20 -1.36 0.14 116.97 118.83 3haj h TYR 56 Ca 0.33 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.32 3haj h TYR 56 Cb 0.21 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 3haj h TYR 56 CO -0.07 0.28 0.49 0.00 -1.64 0.00 0.00 178.16 177.22 3haj h ALA 57 N 0.69 1.27 0.26 1.82 0.00 -0.99 -0.90 119.26 121.41 3haj h ALA 57 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3haj h ALA 57 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3haj h ALA 57 CO 0.00 0.06 -0.13 0.37 0.00 0.00 0.00 179.25 179.56 3haj h GLN 58 N 0.78 -0.34 -0.70 0.00 4.15 -0.34 -2.67 115.11 115.99 3haj h GLN 58 Ca 0.43 0.02 0.14 0.00 0.77 0.00 0.00 58.65 60.02 3haj h GLN 58 Cb 0.47 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 3haj h GLN 58 CO -0.28 -0.08 0.17 1.96 -1.93 0.00 0.00 178.83 178.67 3haj h GLN 59 N -0.57 0.28 -0.69 1.69 4.20 -0.66 -0.21 115.11 119.14 3haj h GLN 59 Ca -0.04 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.78 3haj h GLN 59 Cb 0.42 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3haj h GLN 59 CO 0.06 0.18 0.46 -0.07 -0.67 0.00 0.00 178.83 178.79 3haj h LEU 60 N 0.28 0.40 0.09 1.46 -0.00 -0.97 -0.86 115.31 115.73 3haj h LEU 60 Ca 0.39 0.02 -0.33 0.00 -0.00 0.00 0.00 57.88 57.95 3haj h LEU 60 Cb 0.63 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 3haj h LEU 60 CO -0.47 0.23 -1.80 0.71 -0.00 0.00 0.00 178.44 177.11 3haj h THR 61 N 0.44 0.82 -0.74 0.22 1.35 -0.77 -1.60 112.91 112.64 3haj h THR 61 Ca 0.33 -2.55 0.11 0.00 -0.55 0.00 0.00 66.41 63.74 3haj h THR 61 Cb 0.68 2.55 -0.08 0.00 -1.73 0.00 0.00 68.15 69.57 3haj h THR 61 CO -0.10 0.77 0.36 -0.33 -0.25 0.00 0.00 175.52 175.96 3haj h GLU 62 N 0.05 0.57 0.38 4.72 4.39 -0.89 -0.85 114.58 122.95 3haj h GLU 62 Ca -0.34 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 3haj h GLU 62 Cb 2.03 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 3haj h GLU 62 CO 0.11 0.37 -0.18 2.35 -1.16 0.00 0.00 179.01 180.50 3haj h TRP 63 N 0.58 -0.47 -0.63 4.33 7.01 -1.20 -1.36 115.95 124.21 3haj h TRP 63 Ca 0.38 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.48 3haj h TRP 63 Cb 0.45 0.16 -0.09 0.00 -2.10 0.00 0.00 29.16 27.57 3haj h TRP 63 CO -0.11 -0.17 0.15 0.00 -2.79 0.00 0.00 178.44 175.51 3haj h ALA 64 N -0.26 0.76 -0.34 2.65 0.00 -1.10 -1.07 119.26 119.91 3haj h ALA 64 Ca -0.05 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3haj h ALA 64 Cb 0.52 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3haj h ALA 64 CO 0.09 -0.30 0.09 -0.09 0.00 0.00 0.00 179.25 179.04 3haj h ARG 65 N 0.28 0.54 -0.64 0.00 2.43 -1.14 -1.42 114.38 114.43 3haj h ARG 65 Ca 0.33 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3haj h ARG 65 Cb 0.50 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 3haj h ARG 65 CO -0.41 0.59 0.38 -0.09 -1.51 0.00 0.00 179.97 178.92 3haj h ARG 66 N 0.39 0.70 0.00 0.20 2.43 -0.20 -2.77 114.38 115.13 3haj h ARG 66 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3haj h ARG 66 Cb 0.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3haj h ARG 66 CO -0.00 0.46 -0.82 -1.49 -1.51 0.00 0.00 179.97 176.61 3haj h TRP 67 N 0.72 0.00 -0.25 2.20 4.06 -1.20 -2.69 115.95 118.78 3haj h TRP 67 Ca 0.27 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.12 3haj h TRP 67 Cb 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 3haj h TRP 67 CO -0.06 0.00 -0.28 -0.09 -3.56 0.00 0.00 178.44 174.45 3haj h ARG 68 N 0.00 0.51 -0.14 0.49 2.43 -1.14 -2.15 114.38 114.38 3haj h ARG 68 Ca 0.00 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3haj h ARG 68 Cb 0.99 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3haj h ARG 68 CO 0.00 0.74 -0.05 0.37 -1.51 0.00 0.00 179.97 179.52 3haj h GLN 69 N 0.44 0.28 -0.40 0.20 5.75 -1.42 -2.78 115.11 117.19 3haj h GLN 69 Ca 0.06 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 3haj h GLN 69 Cb 0.72 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3haj h GLN 69 CO 0.05 0.59 -0.23 -0.07 -2.65 0.00 0.00 178.83 176.52 3haj h LEU 70 N -0.04 0.82 -0.43 -2.39 -0.00 -1.39 -0.89 115.31 111.00 3haj h LEU 70 Ca 0.03 -0.30 -0.17 0.00 -0.00 0.00 0.00 57.88 57.45 3haj h LEU 70 Cb 0.49 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 3haj h LEU 70 CO 0.02 1.02 -0.79 0.58 -0.00 0.00 0.00 178.44 179.27 3haj h VAL 71 N 0.70 1.56 0.08 1.22 2.07 -1.47 -2.27 116.25 118.13 3haj h VAL 71 Ca 0.09 -2.67 -0.27 0.00 0.82 0.00 0.00 66.70 64.67 3haj h VAL 71 Cb 0.75 2.44 0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3haj h VAL 71 CO 0.06 0.76 -1.15 -0.33 0.02 0.00 0.00 177.57 176.94 3haj h GLU 72 N 0.01 0.51 -0.06 1.57 5.08 -1.24 -3.15 114.58 117.30 3haj h GLU 72 Ca -0.01 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3haj h GLU 72 Cb 1.39 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.85 3haj h GLU 72 CO 0.10 1.27 0.00 1.63 -1.00 0.00 0.00 179.01 181.02 3haj n LYS 73 N -3.74 1.45 -2.16 2.33 4.76 -0.36 -4.91 118.16 115.53 3haj n LYS 73 Ca -0.11 -0.66 -0.18 0.00 -2.87 0.00 0.00 58.31 54.49 3haj n LYS 73 Cb 0.94 -1.41 0.09 0.00 -1.84 0.00 0.00 35.03 32.81 3haj n LYS 73 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3haj n GLY 74 N 1.05 0.79 0.22 0.72 0.00 -0.85 -5.02 105.19 102.10 3haj n GLY 74 Ca 0.18 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.27 3haj n GLY 74 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3haj h PRO 75 N 0.00 0.00 -6.20 1.61 0.11 -1.87 -3.45 132.00 122.20 3haj h PRO 75 Ca -0.25 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.30 3haj h PRO 75 Cb 0.95 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3haj h PRO 75 CO 0.28 0.16 0.98 -1.14 -0.21 0.00 0.00 178.00 178.07 3haj s GLN 76 N -3.41 4.18 0.23 1.05 2.00 -1.26 -5.01 119.66 117.44 3haj s GLN 76 Ca 0.03 1.84 0.04 0.00 -2.00 0.00 0.00 55.36 55.27 3haj s GLN 76 Cb 0.08 -3.86 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 3haj s GLN 76 CO 0.64 -0.80 -0.01 0.71 -0.50 0.00 0.00 175.29 175.34 3haj s TYR 77 N 3.81 1.58 0.00 1.67 1.51 -1.26 -4.69 117.35 119.97 3haj s TYR 77 Ca 0.62 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3haj s TYR 77 Cb -0.26 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 3haj s TYR 77 CO 0.21 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 3haj n GLY 78 N -0.43 -0.24 0.28 0.71 0.00 -1.26 -4.05 105.19 100.21 3haj n GLY 78 Ca -0.05 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 3haj n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3haj h THR 79 N 0.00 1.27 -0.64 2.61 1.35 -1.92 -2.88 112.91 112.69 3haj h THR 79 Ca 0.00 -1.42 -0.06 0.00 -0.55 0.00 0.00 66.41 64.38 3haj h THR 79 Cb 0.00 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 3haj h THR 79 CO 0.00 0.49 0.18 0.58 -0.25 0.00 0.00 175.52 176.51 3haj h VAL 80 N 0.84 1.25 -0.99 6.82 2.07 -1.89 0.34 116.25 124.70 3haj h VAL 80 Ca 0.10 -0.90 0.16 0.00 0.82 0.00 0.00 66.70 66.88 3haj h VAL 80 Cb 0.84 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 3haj h VAL 80 CO 0.07 0.34 0.62 -0.08 0.02 0.00 0.00 177.57 178.54 3haj h GLU 81 N 0.94 0.80 0.05 1.57 4.81 -1.68 -0.84 114.58 120.22 3haj h GLU 81 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3haj h GLU 81 Cb 0.33 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3haj h GLU 81 CO -0.00 0.53 -0.02 0.87 -0.73 0.00 0.00 179.01 179.65 3haj h LYS 82 N 0.82 -0.06 -1.00 1.92 1.57 -1.05 -2.32 116.57 116.45 3haj h LYS 82 Ca 0.53 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.52 3haj h LYS 82 Cb 0.75 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.96 3haj h LYS 82 CO -0.30 0.49 0.61 0.00 -0.57 0.00 0.00 179.45 179.68 3haj h ALA 83 N 0.23 1.77 0.00 3.86 0.00 -0.65 0.71 119.26 125.17 3haj h ALA 83 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3haj h ALA 83 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3haj h ALA 83 CO 0.01 -0.16 -0.37 2.35 0.00 0.00 0.00 179.25 181.08 3haj h TRP 84 N 0.69 0.00 0.17 0.00 2.91 -1.12 -3.28 115.95 115.32 3haj h TRP 84 Ca 0.59 0.00 -0.30 0.00 1.13 0.00 0.00 58.89 60.30 3haj h TRP 84 Cb 1.02 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.68 3haj h TRP 84 CO -0.00 0.37 -1.47 1.98 -1.03 0.00 0.00 178.44 178.29 3haj h MET 85 N 0.00 0.37 0.00 2.65 4.05 0.87 -2.93 114.93 119.93 3haj h MET 85 Ca -0.00 -0.62 0.00 0.00 -0.28 0.00 0.00 59.70 58.79 3haj h MET 85 Cb 0.66 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3haj h MET 85 CO 0.05 1.30 0.23 0.00 0.23 0.00 0.00 176.91 178.71 3haj n ALA 86 N -2.84 0.61 0.04 0.39 0.00 0.34 -0.70 120.51 118.35 3haj n ALA 86 Ca -0.22 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 3haj n ALA 86 Cb 0.99 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 3haj n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3haj h PHE 87 N 0.00 0.50 0.00 0.00 3.04 -1.58 -2.51 116.94 116.39 3haj h PHE 87 Ca 0.00 -0.36 -0.01 0.00 3.98 0.00 0.00 57.97 61.57 3haj h PHE 87 Cb 0.45 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 3haj h PHE 87 CO 0.00 1.28 -0.07 0.52 -2.02 0.00 0.00 178.31 178.02 3haj h MET 88 N -0.41 0.00 -0.03 1.11 2.86 -1.00 -2.78 114.93 114.67 3haj h MET 88 Ca -0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3haj h MET 88 Cb 1.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.24 3haj h MET 88 CO 0.14 0.07 0.01 0.77 1.06 0.00 0.00 176.91 178.95 3haj h SER 89 N 0.00 0.05 -0.69 1.22 0.02 -1.38 -2.11 113.55 110.65 3haj h SER 89 Ca -0.00 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3haj h SER 89 Cb 0.13 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3haj h SER 89 CO 0.01 0.29 0.46 1.05 -1.14 0.00 0.00 176.83 177.50 3haj h GLU 90 N -0.20 0.64 -0.22 3.45 -0.00 -1.19 0.26 114.58 117.33 3haj h GLU 90 Ca 0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.36 59.26 3haj h GLU 90 Cb 0.26 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 28.86 3haj h GLU 90 CO 0.00 0.43 -0.18 0.00 -0.00 0.00 0.00 179.01 179.26 3haj h ALA 91 N 1.63 1.29 0.02 1.06 0.00 -1.30 -0.00 119.26 121.97 3haj h ALA 91 Ca 0.31 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3haj h ALA 91 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3haj h ALA 91 CO -0.10 0.47 -0.93 0.93 0.00 0.00 0.00 179.25 179.62 3haj h GLU 92 N 0.35 0.21 -0.17 0.00 5.08 -0.06 -2.23 114.58 117.76 3haj h GLU 92 Ca 0.06 -0.25 -0.22 0.00 -1.00 0.00 0.00 59.36 57.95 3haj h GLU 92 Cb 0.52 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3haj h GLU 92 CO 0.03 1.00 -0.76 0.00 -1.00 0.00 0.00 179.01 178.28 3haj h ARG 93 N 0.11 0.81 -0.42 2.33 2.47 -0.33 -2.74 114.38 116.61 3haj h ARG 93 Ca -0.05 -0.65 -0.05 0.00 -1.26 0.00 0.00 59.98 57.96 3haj h ARG 93 Cb 1.58 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 30.02 3haj h ARG 93 CO 0.14 1.26 0.05 0.28 0.56 0.00 0.00 179.97 182.26 3haj h VAL 94 N 0.56 1.25 -0.50 2.04 2.07 -1.07 -2.99 116.25 117.60 3haj h VAL 94 Ca -0.05 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.65 3haj h VAL 94 Cb 1.39 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3haj h VAL 94 CO 0.16 0.32 -0.04 -1.28 0.02 0.00 0.00 177.57 176.75 3haj h SER 95 N 0.56 -0.30 -0.63 0.57 0.87 -1.40 -2.40 113.55 110.82 3haj h SER 95 Ca 0.13 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3haj h SER 95 Cb 0.41 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3haj h SER 95 CO 0.01 -0.11 0.41 -0.08 -0.53 0.00 0.00 176.83 176.54 3haj h GLU 96 N 0.07 0.81 -0.87 2.24 4.81 -1.37 -2.23 114.58 118.04 3haj h GLU 96 Ca 0.25 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3haj h GLU 96 Cb 0.38 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3haj h GLU 96 CO -0.45 0.54 0.57 -0.07 -0.73 0.00 0.00 179.01 178.87 3haj h LEU 97 N 0.84 0.89 -0.55 1.64 3.38 -1.30 -1.05 115.31 119.15 3haj h LEU 97 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3haj h LEU 97 Cb -0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3haj h LEU 97 CO -0.06 0.58 -0.05 0.45 0.09 0.00 0.00 178.44 179.46 3haj h HIS 98 N 1.01 0.00 0.00 1.13 3.86 -1.12 -1.79 115.15 118.25 3haj h HIS 98 Ca 0.37 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.43 3haj h HIS 98 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3haj h HIS 98 CO -0.00 0.05 -0.70 -0.07 0.86 0.00 0.00 177.93 178.07 3haj h LEU 99 N 0.00 0.00 -0.23 2.43 3.38 -0.71 -2.04 115.31 118.13 3haj h LEU 99 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3haj h LEU 99 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3haj h LEU 99 CO 0.01 0.70 -0.00 -0.33 0.09 0.00 0.00 178.44 178.90 3haj h GLU 100 N 0.00 0.41 -0.34 1.13 5.08 -0.61 0.80 114.58 121.05 3haj h GLU 100 Ca -0.01 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3haj h GLU 100 Cb 1.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3haj h GLU 100 CO 0.09 0.60 0.16 0.28 -1.00 0.00 0.00 179.01 179.13 3haj h VAL 101 N 0.18 0.96 -0.61 3.13 2.07 -1.34 0.87 116.25 121.51 3haj h VAL 101 Ca 0.07 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3haj h VAL 101 Cb 0.41 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3haj h VAL 101 CO 0.01 0.06 0.35 0.50 0.02 0.00 0.00 177.57 178.51 3haj h LYS 102 N 0.33 0.64 0.12 1.57 3.64 -1.27 -1.64 116.57 119.95 3haj h LYS 102 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3haj h LYS 102 Cb 0.07 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3haj h LYS 102 CO -0.11 0.42 -0.06 0.00 -2.27 0.00 0.00 179.45 177.43 3haj h ALA 103 N 1.31 -0.16 -0.98 5.00 0.00 -0.25 -2.79 119.26 121.38 3haj h ALA 103 Ca 0.27 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3haj h ALA 103 Cb 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3haj h ALA 103 CO -0.15 -0.49 0.64 0.77 0.00 0.00 0.00 179.25 180.01 3haj h SER 104 N -0.35 1.02 -0.01 0.00 0.02 -0.69 0.16 113.55 113.70 3haj h SER 104 Ca -0.02 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 3haj h SER 104 Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3haj h SER 104 CO 0.03 0.66 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.11 3haj h LEU 105 N 1.16 0.36 0.03 5.07 3.38 -1.22 -1.80 115.31 122.29 3haj h LEU 105 Ca 0.42 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 57.93 3haj h LEU 105 Cb 0.15 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3haj h LEU 105 CO -0.16 0.57 -2.21 0.23 0.09 0.00 0.00 178.44 176.96 3haj n MET 106 N -4.18 0.68 0.07 1.13 2.81 -0.86 -0.42 117.12 116.34 3haj n MET 106 Ca -0.00 0.16 -0.14 0.00 -1.81 0.00 0.00 57.70 55.90 3haj n MET 106 Cb 0.34 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.10 3haj n MET 106 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3haj h ASN 107 N 0.02 0.30 0.00 7.83 2.35 -0.79 -3.21 115.58 122.08 3haj h ASN 107 Ca -0.48 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 3haj h ASN 107 Cb 2.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.32 3haj h ASN 107 CO 0.01 1.31 -0.06 0.47 -1.65 0.00 0.00 177.43 177.52 3haj n ASP 108 N -3.42 0.12 -0.14 5.81 8.00 -0.70 -4.37 116.55 121.85 3haj n ASP 108 Ca -0.12 0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 3haj n ASP 108 Cb 1.02 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 3haj n ASP 108 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3haj h ASP 109 N -0.06 0.76 -0.00 -2.24 3.32 -1.55 0.11 116.42 116.76 3haj h ASP 109 Ca 0.00 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3haj h ASP 109 Cb 0.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3haj h ASP 109 CO 0.00 0.93 -0.00 0.15 -1.72 0.00 0.00 179.24 178.60 3haj h PHE 110 N 0.58 0.01 -0.59 4.55 3.57 -0.90 -2.50 116.94 121.66 3haj h PHE 110 Ca 0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3haj h PHE 110 Cb 0.58 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3haj h PHE 110 CO 0.05 0.36 0.34 0.93 -2.23 0.00 0.00 178.31 177.76 3haj h GLU 111 N -0.34 0.80 0.11 1.11 4.39 -1.57 -1.41 114.58 117.66 3haj h GLU 111 Ca 0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3haj h GLU 111 Cb 0.35 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3haj h GLU 111 CO 0.00 0.57 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.14 3haj h LYS 112 N 0.81 -0.16 -0.37 2.33 3.64 -0.61 -1.19 116.57 121.02 3haj h LYS 112 Ca 0.21 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3haj h LYS 112 Cb -0.01 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3haj h LYS 112 CO -0.04 -0.10 -0.22 0.82 -2.27 0.00 0.00 179.45 177.64 3haj h ILE 113 N -0.16 1.27 -0.89 2.00 2.04 -1.31 -2.49 117.51 117.97 3haj h ILE 113 Ca -0.01 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.57 3haj h ILE 113 Cb 0.13 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3haj h ILE 113 CO 0.01 0.43 0.58 0.50 0.00 0.00 0.00 178.15 179.68 3haj h LYS 114 N 0.64 1.12 -0.09 2.37 3.64 -0.95 -2.04 116.57 121.26 3haj h LYS 114 Ca 0.09 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 3haj h LYS 114 Cb 0.71 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3haj h LYS 114 CO 0.05 0.74 -0.70 -0.91 -2.27 0.00 0.00 179.45 176.36 3haj h ASN 115 N 1.15 0.77 -0.30 4.20 4.21 -1.09 -3.18 115.58 121.34 3haj h ASN 115 Ca 0.35 -0.67 -0.02 0.00 1.21 0.00 0.00 56.30 57.17 3haj h ASN 115 Cb -0.05 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 36.91 3haj h ASN 115 CO -0.10 1.32 0.15 -0.25 -1.29 0.00 0.00 177.43 177.26 3haj h TRP 116 N 0.27 0.47 0.00 1.19 7.01 -1.25 -0.40 115.95 123.24 3haj h TRP 116 Ca -0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.93 3haj h TRP 116 Cb 1.35 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 3haj h TRP 116 CO 0.11 0.37 0.00 0.94 -2.79 0.00 0.00 178.44 177.07 3haj n GLN 117 N -4.41 0.21 0.05 2.65 7.27 -0.78 -1.67 117.38 120.70 3haj n GLN 117 Ca 0.02 0.30 0.09 0.00 0.07 0.00 0.00 57.00 57.48 3haj n GLN 117 Cb 0.13 -1.81 -0.07 0.00 2.41 0.00 0.00 30.24 30.90 3haj n GLN 117 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3haj n LYS 118 N -2.19 0.63 0.00 3.69 4.81 -0.20 -3.28 118.16 121.62 3haj n LYS 118 Ca 0.04 0.04 0.07 0.00 -0.87 0.00 0.00 58.31 57.59 3haj n LYS 118 Cb 0.32 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 33.65 3haj n LYS 118 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3haj n GLU 119 N -2.59 1.77 -0.11 1.64 1.02 -0.95 -4.49 120.64 116.93 3haj n GLU 119 Ca -0.04 -0.76 -0.19 0.00 -0.02 0.00 0.00 57.16 56.14 3haj n GLU 119 Cb 0.63 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.70 3haj n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3haj n ALA 120 N -0.14 1.33 -3.03 0.62 0.00 -0.67 -4.95 120.51 113.67 3haj n ALA 120 Ca 0.06 -1.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.14 3haj n ALA 120 Cb 0.30 -0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 3haj n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3haj s PHE 121 N -2.52 2.85 -0.08 0.00 0.08 -1.21 -4.94 117.98 112.16 3haj s PHE 121 Ca -0.33 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.21 3haj s PHE 121 Cb 0.09 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3haj s PHE 121 CO 0.62 -0.16 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.35 3haj s HIS 122 N 0.30 2.55 -0.31 0.36 3.76 -1.26 -4.64 115.29 116.05 3haj s HIS 122 Ca -0.09 -0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 53.86 3haj s HIS 122 Cb -0.15 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 3haj s HIS 122 CO 0.05 -0.24 0.61 0.15 -0.85 0.00 0.00 174.74 174.46 3haj s LYS 123 N 0.01 3.87 0.88 1.40 1.02 -1.26 -0.65 119.74 125.01 3haj s LYS 123 Ca -0.08 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 3haj s LYS 123 Cb -0.15 -3.74 0.13 0.00 -0.52 0.00 0.00 37.83 33.55 3haj s LYS 123 CO 0.05 -0.58 1.15 -0.65 -0.92 0.00 0.00 175.35 174.41 3haj s GLN 124 N 2.57 1.25 0.32 1.68 -0.21 -1.19 -4.90 119.66 119.19 3haj s GLN 124 Ca 0.24 1.56 0.11 0.00 0.02 0.00 0.00 55.36 57.30 3haj s GLN 124 Cb -0.15 -1.75 0.54 0.00 1.00 0.00 0.00 33.01 32.64 3haj s GLN 124 CO 0.12 -2.46 1.72 0.52 -2.12 0.00 0.00 175.29 173.07 3haj h MET 125 N -1.60 0.02 0.16 2.91 2.86 -1.96 -3.28 114.93 114.05 3haj h MET 125 Ca -0.44 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 56.92 3haj h MET 125 Cb 1.27 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.95 3haj h MET 125 CO 0.43 0.50 -1.26 0.52 1.06 0.00 0.00 176.91 178.16 3haj h MET 126 N 0.02 0.35 0.00 1.72 2.86 -2.03 -3.50 114.93 114.35 3haj h MET 126 Ca -0.00 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3haj h MET 126 Cb 0.86 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3haj h MET 126 CO 0.06 1.28 0.00 0.41 1.06 0.00 0.00 176.91 179.73 3haj n GLY 127 N 1.73 1.46 7.00 8.32 0.00 -1.24 -5.15 105.19 117.31 3haj n GLY 127 Ca -0.19 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3haj n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haj n GLY 128 N -0.95 1.29 3.37 -0.02 0.00 -1.26 -4.24 105.19 103.38 3haj n GLY 128 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 3haj n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3haj s PHE 129 N 0.00 1.77 0.34 1.61 0.40 -1.26 -3.15 117.98 117.70 3haj s PHE 129 Ca 0.00 -0.68 0.10 0.00 -0.60 0.00 0.00 56.93 55.75 3haj s PHE 129 Cb 0.00 -0.93 0.62 0.00 0.51 0.00 0.00 43.02 43.22 3haj s PHE 129 CO 0.00 0.26 1.78 -0.22 0.70 0.00 0.00 175.22 177.74 3haj h LYS 130 N 2.44 0.10 0.11 0.44 3.64 -1.20 -1.90 116.57 120.20 3haj h LYS 130 Ca -0.39 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 58.66 3haj h LYS 130 Cb 1.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3haj h LYS 130 CO 0.65 0.46 -1.41 1.05 -2.27 0.00 0.00 179.45 177.93 3haj h GLU 131 N 0.09 0.23 0.12 1.90 9.09 -1.92 -1.90 114.58 122.19 3haj h GLU 131 Ca 0.01 -0.40 -0.01 0.00 0.05 0.00 0.00 59.36 59.02 3haj h GLU 131 Cb 0.70 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 3haj h GLU 131 CO 0.05 1.12 -0.06 1.15 0.05 0.00 0.00 179.01 181.32 3haj h THR 132 N 0.06 1.00 -0.81 -1.06 2.02 -1.91 -1.89 112.91 110.32 3haj h THR 132 Ca -0.19 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.55 3haj h THR 132 Cb 1.99 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.64 3haj h THR 132 CO 0.17 0.12 0.51 0.50 0.37 0.00 0.00 175.52 177.18 3haj h LYS 133 N -0.39 0.94 -0.86 6.66 1.63 -1.46 -2.28 116.57 120.81 3haj h LYS 133 Ca -0.02 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3haj h LYS 133 Cb 0.32 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 3haj h LYS 133 CO 0.03 0.62 0.49 1.49 -3.45 0.00 0.00 179.45 178.63 3haj h GLU 134 N 0.97 1.18 -0.15 1.90 4.81 -1.22 -2.41 114.58 119.66 3haj h GLU 134 Ca 0.34 -0.12 -0.22 0.00 -0.13 0.00 0.00 59.36 59.23 3haj h GLU 134 Cb 0.08 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.23 3haj h GLU 134 CO -0.14 0.85 -0.76 0.00 -0.73 0.00 0.00 179.01 178.23 3haj h ALA 135 N 1.35 0.29 -0.05 2.92 0.00 -1.02 -2.69 119.26 120.06 3haj h ALA 135 Ca 0.31 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3haj h ALA 135 Cb -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3haj h ALA 135 CO -0.05 0.65 0.03 1.49 0.00 0.00 0.00 179.25 181.37 3haj h GLU 136 N 0.50 0.07 -0.65 0.00 4.81 -1.18 -0.99 114.58 117.13 3haj h GLU 136 Ca -0.05 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3haj h GLU 136 Cb 1.39 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 3haj h GLU 136 CO 0.16 0.08 0.36 -0.44 -0.73 0.00 0.00 179.01 178.43 3haj h ASP 137 N 0.04 0.53 -0.19 1.04 3.32 -1.52 -0.92 116.42 118.72 3haj h ASP 137 Ca 0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.15 3haj h ASP 137 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3haj h ASP 137 CO -0.00 0.34 0.14 1.23 -1.72 0.00 0.00 179.24 179.23 3haj h GLY 138 N 0.66 0.00 1.66 2.75 0.00 -1.05 -1.35 103.07 105.74 3haj h GLY 138 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.38 3haj h GLY 138 CO -0.18 0.00 -1.24 0.74 0.00 0.00 0.00 176.54 175.86 3haj h PHE 139 N 0.00 0.12 0.20 5.60 0.04 0.08 -3.12 116.94 119.86 3haj h PHE 139 Ca 0.09 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3haj h PHE 139 Cb 0.37 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3haj h PHE 139 CO 0.00 1.09 -0.10 0.00 -0.60 0.00 0.00 178.31 178.70 3haj h ARG 140 N 0.02 -0.26 -0.54 1.51 -0.00 -0.25 -2.05 114.38 112.80 3haj h ARG 140 Ca -0.11 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.48 3haj h ARG 140 Cb 1.87 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 31.87 3haj h ARG 140 CO 0.13 0.10 0.37 -0.22 0.00 0.00 0.00 179.97 180.35 3haj h LYS 141 N -0.69 0.34 0.00 0.04 3.64 -1.44 0.50 116.57 118.96 3haj h LYS 141 Ca -0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3haj h LYS 141 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3haj h LYS 141 CO 0.05 0.23 -0.39 0.00 -2.27 0.00 0.00 179.45 177.06 3haj h ALA 142 N 1.72 0.92 0.00 5.00 0.00 -1.48 -3.34 119.26 122.08 3haj h ALA 142 Ca 0.25 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 3haj h ALA 142 Cb 0.52 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3haj h ALA 142 CO -0.06 0.49 -2.38 0.94 0.00 0.00 0.00 179.25 178.24 3haj n GLN 143 N -3.45 0.73 -0.29 0.00 7.27 0.05 -4.62 117.38 117.07 3haj n GLN 143 Ca 0.00 0.05 0.08 0.00 0.07 0.00 0.00 57.00 57.20 3haj n GLN 143 Cb 0.55 -1.50 0.19 0.00 2.41 0.00 0.00 30.24 31.89 3haj n GLN 143 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3haj h LYS 144 N 0.00 0.06 -0.63 3.69 3.64 -0.25 0.23 116.57 123.31 3haj h LYS 144 Ca -0.54 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 58.94 3haj h LYS 144 Cb 2.09 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.81 3haj h LYS 144 CO -0.01 0.04 0.19 -1.35 -2.27 0.00 0.00 179.45 176.05 3haj h PRO 145 N 0.06 0.33 0.00 1.90 0.11 -1.82 -1.89 132.00 130.69 3haj h PRO 145 Ca 0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.46 3haj h PRO 145 Cb 0.86 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3haj h PRO 145 CO -0.79 0.22 -0.69 2.35 -0.21 0.00 0.00 178.00 178.88 3haj h TRP 146 N 0.34 0.00 -0.19 0.65 2.91 -1.18 -3.31 115.95 115.17 3haj h TRP 146 Ca 0.33 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.22 3haj h TRP 146 Cb 0.47 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 3haj h TRP 146 CO -0.20 0.43 -0.44 0.00 -1.03 0.00 0.00 178.44 177.19 3haj h ALA 147 N 1.57 0.88 -0.05 2.65 0.00 -0.01 -1.97 119.26 122.34 3haj h ALA 147 Ca -0.04 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 3haj h ALA 147 Cb 1.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3haj h ALA 147 CO 0.05 0.65 -0.67 1.57 0.00 0.00 0.00 179.25 180.85 3haj h LYS 148 N 0.39 0.21 -0.09 0.00 2.10 -1.46 -2.87 116.57 114.84 3haj h LYS 148 Ca 0.03 -0.16 -0.07 0.00 -2.00 0.00 0.00 60.65 58.45 3haj h LYS 148 Cb 0.93 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3haj h LYS 148 CO 0.08 0.80 -0.21 0.87 -2.00 0.00 0.00 179.45 178.98 3haj h LYS 149 N 0.14 0.30 -0.01 0.07 6.56 -1.61 -2.84 116.57 119.18 3haj h LYS 149 Ca -0.01 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 3haj h LYS 149 Cb 1.20 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3haj h LYS 149 CO 0.10 0.81 0.03 1.25 -2.06 0.00 0.00 179.45 179.58 3haj h LEU 150 N -0.16 0.00 -0.63 2.94 7.12 -1.40 0.11 115.31 123.29 3haj h LEU 150 Ca -0.00 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.86 3haj h LEU 150 Cb 0.82 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 3haj h LEU 150 CO 0.05 0.00 -0.60 0.50 -0.13 0.00 0.00 178.44 178.25 3haj h LYS 151 N 0.00 0.28 -0.00 1.25 1.63 -1.27 -1.11 116.57 117.35 3haj h LYS 151 Ca 0.01 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 3haj h LYS 151 Cb 0.06 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3haj h LYS 151 CO -0.00 0.80 -0.05 0.93 -3.45 0.00 0.00 179.45 177.68 3haj h GLU 152 N 0.21 0.04 -0.68 1.90 5.08 -0.65 -3.02 114.58 117.46 3haj h GLU 152 Ca -0.01 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3haj h GLU 152 Cb 1.11 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3haj h GLU 152 CO 0.10 0.79 0.45 0.28 -1.00 0.00 0.00 179.01 179.63 3haj h VAL 153 N -0.70 1.07 0.00 3.13 2.07 -1.46 -1.18 116.25 119.18 3haj h VAL 153 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3haj h VAL 153 Cb 0.81 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3haj h VAL 153 CO 0.01 0.14 -0.08 -0.08 0.02 0.00 0.00 177.57 177.59 3haj h GLU 154 N 0.79 0.00 0.19 1.57 4.57 -1.17 -0.23 114.58 120.29 3haj h GLU 154 Ca 0.28 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.14 3haj h GLU 154 Cb 0.12 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3haj h GLU 154 CO -0.08 0.08 -1.56 0.00 -1.18 0.00 0.00 179.01 176.27 3haj h ALA 155 N 1.92 0.07 -0.98 2.92 0.00 -1.17 -3.30 119.26 118.71 3haj h ALA 155 Ca -0.00 -1.03 0.06 0.00 0.00 0.00 0.00 54.91 53.93 3haj h ALA 155 Cb 0.14 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3haj h ALA 155 CO 0.01 0.86 0.64 0.00 0.00 0.00 0.00 179.25 180.76 3haj h ALA 156 N 0.09 1.35 -0.07 0.00 0.00 -0.51 0.44 119.26 120.56 3haj h ALA 156 Ca -0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3haj h ALA 156 Cb 2.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3haj h ALA 156 CO 0.18 0.46 -0.02 -0.22 0.00 0.00 0.00 179.25 179.64 3haj h LYS 157 N 1.18 0.10 0.01 0.00 3.64 -1.20 -1.29 116.57 119.01 3haj h LYS 157 Ca 0.42 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.64 3haj h LYS 157 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3haj h LYS 157 CO -0.16 0.13 -0.78 -0.22 -2.27 0.00 0.00 179.45 176.16 3haj h LYS 158 N 0.10 0.03 -0.72 1.90 3.64 -0.92 -2.99 116.57 117.60 3haj h LYS 158 Ca 0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3haj h LYS 158 Cb 0.11 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3haj h LYS 158 CO 0.00 1.02 0.34 0.00 -2.27 0.00 0.00 179.45 178.55 3haj h ALA 159 N -0.25 1.25 -0.23 5.00 0.00 -0.24 0.24 119.26 125.04 3haj h ALA 159 Ca -0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3haj h ALA 159 Cb 1.24 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3haj h ALA 159 CO -0.10 0.58 -0.18 1.25 0.00 0.00 0.00 179.25 180.80 3haj h HIS 160 N 1.02 0.63 0.00 0.00 -0.00 -1.40 0.74 115.15 116.14 3haj h HIS 160 Ca 0.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3haj h HIS 160 Cb 0.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3haj h HIS 160 CO 0.01 0.84 -0.04 0.45 -0.00 0.00 0.00 177.93 179.19 3haj h HIS 161 N 0.23 0.00 0.10 5.26 -0.00 -1.31 0.12 115.15 119.56 3haj h HIS 161 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.14 3haj h HIS 161 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 3haj h HIS 161 CO 0.07 0.04 -1.32 0.00 -0.00 0.00 0.00 177.93 176.72 3haj h ALA 162 N 1.96 0.22 -0.20 2.45 0.00 -0.08 -2.05 119.26 121.56 3haj h ALA 162 Ca -0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 54.91 53.79 3haj h ALA 162 Cb 0.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3haj h ALA 162 CO 0.01 1.10 -0.39 0.00 0.00 0.00 0.00 179.25 179.96 3haj h ALA 163 N 0.64 0.32 -0.03 0.00 0.00 0.15 0.16 119.26 120.50 3haj h ALA 163 Ca -0.16 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3haj h ALA 163 Cb 1.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3haj h ALA 163 CO 0.17 0.42 -0.38 0.00 0.00 0.00 0.00 179.25 179.46 3haj h LYS 165 N 0.06 0.53 0.00 0.00 1.63 -1.20 -2.87 116.57 114.72 3haj h LYS 165 Ca 0.00 -0.41 -0.06 0.00 -0.85 0.00 0.00 60.65 59.34 3haj h LYS 165 Cb 0.71 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 3haj h LYS 165 CO 0.05 1.03 -0.28 1.49 -3.45 0.00 0.00 179.45 178.30 3haj h GLU 166 N 0.14 0.00 0.07 1.90 4.57 -0.53 -3.15 114.58 117.59 3haj h GLU 166 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3haj h GLU 166 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3haj h GLU 166 CO 0.10 0.28 -0.04 1.49 -1.18 0.00 0.00 179.01 179.66 3haj h GLU 167 N 0.00 -0.10 0.00 1.92 4.22 -0.76 -2.79 114.58 117.07 3haj h GLU 167 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3haj h GLU 167 Cb 0.87 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3haj h GLU 167 CO 0.04 0.46 0.00 -0.22 -2.18 0.00 0.00 179.01 177.10 3haj h LYS 168 N -0.77 0.00 0.14 1.92 3.64 -1.59 -2.11 116.57 117.81 3haj h LYS 168 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3haj h LYS 168 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3haj h LYS 168 CO 0.02 0.00 -0.07 1.25 -2.27 0.00 0.00 179.45 178.38 3haj h LEU 169 N 0.00 -0.16 -0.72 5.20 7.12 -1.48 -1.15 115.31 124.12 3haj h LEU 169 Ca 0.00 -0.32 -0.09 0.00 0.13 0.00 0.00 57.88 57.60 3haj h LEU 169 Cb 0.20 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 3haj h LEU 169 CO 0.00 0.26 -0.04 0.00 -0.13 0.00 0.00 178.44 178.53 3haj h ALA 170 N 0.15 0.92 -0.19 1.25 0.00 -1.12 0.11 119.26 120.37 3haj h ALA 170 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3haj h ALA 170 Cb 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3haj h ALA 170 CO 0.03 0.64 -0.09 0.82 0.00 0.00 0.00 179.25 180.65 3haj h ILE 171 N 0.86 1.31 -0.82 0.00 2.04 -1.52 -0.75 117.51 118.63 3haj h ILE 171 Ca 0.15 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.92 3haj h ILE 171 Cb 0.57 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3haj h ILE 171 CO 0.03 0.35 0.53 0.28 0.00 0.00 0.00 178.15 179.34 3haj h SER 172 N 0.09 0.78 0.31 1.72 0.02 -1.04 0.17 113.55 115.59 3haj h SER 172 Ca 0.04 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 3haj h SER 172 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3haj h SER 172 CO 0.03 0.50 -0.58 0.03 -1.14 0.00 0.00 176.83 175.67 3haj h ARG 173 N 0.88 0.28 0.02 3.45 -0.00 -0.40 1.64 114.38 120.25 3haj h ARG 173 Ca 0.35 -0.18 -0.23 0.00 -0.50 0.00 0.00 59.98 59.42 3haj h ARG 173 Cb 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.21 3haj h ARG 173 CO -0.13 0.77 -1.14 1.49 0.00 0.00 0.00 179.97 180.97 3haj h GLU 174 N 0.21 0.05 -0.16 0.04 4.81 -0.79 -1.48 114.58 117.25 3haj h GLU 174 Ca -0.00 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3haj h GLU 174 Cb 1.07 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.49 3haj h GLU 174 CO 0.09 0.97 -0.54 0.00 -0.73 0.00 0.00 179.01 178.80 3haj h ALA 175 N 0.92 0.29 0.00 2.92 0.00 -0.44 0.29 119.26 123.23 3haj h ALA 175 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3haj h ALA 175 Cb 1.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3haj h ALA 175 CO 0.13 0.50 0.00 -0.91 0.00 0.00 0.00 179.25 178.97 3haj h ASN 176 N 0.34 0.00 -0.65 0.00 4.21 0.24 0.38 115.58 120.10 3haj h ASN 176 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3haj h ASN 176 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 3haj h ASN 176 CO 0.12 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 176.02 3haj n SER 177 N -2.84 4.06 0.11 5.81 2.88 -0.56 -4.34 113.62 118.75 3haj n SER 177 Ca -0.01 -2.16 -0.18 0.00 -1.33 0.00 0.00 58.87 55.19 3haj n SER 177 Cb 0.16 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 3haj n SER 177 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3haj h LYS 178 N 3.87 0.37 0.04 -1.46 2.10 0.18 -3.37 116.57 118.30 3haj h LYS 178 Ca 0.00 -0.60 -0.36 0.00 -2.00 0.00 0.00 60.65 57.69 3haj h LYS 178 Cb 1.11 0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.61 3haj h LYS 178 CO 0.07 1.28 -2.17 0.00 -2.00 0.00 0.00 179.45 176.63 3haj n ALA 179 N -2.59 1.26 -1.92 0.07 0.00 -1.26 -4.92 120.51 111.16 3haj n ALA 179 Ca -0.11 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 3haj n ALA 179 Cb 1.03 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3haj n ALA 179 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3haj s ASP 180 N -6.47 6.61 1.08 0.00 1.47 -1.26 -5.00 116.67 113.11 3haj s ASP 180 Ca -0.22 2.39 -0.07 0.00 1.18 0.00 0.00 52.55 55.83 3haj s ASP 180 Cb 0.08 -2.54 0.11 0.00 -0.34 0.00 0.00 42.92 40.22 3haj s ASP 180 CO 0.73 -0.94 0.40 -2.65 0.68 0.00 0.00 175.17 173.39 3haj n PRO 181 N 6.80 -1.65 -0.73 2.11 -0.02 -1.26 -4.94 135.00 135.32 3haj n PRO 181 Ca 0.17 -0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 60.70 3haj n PRO 181 Cb 0.42 -0.58 0.15 0.00 -0.02 0.00 0.00 33.50 33.47 3haj n PRO 181 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3haj n SER 182 N -3.63 -1.25 -4.76 2.55 3.41 -1.26 -4.69 113.62 103.98 3haj n SER 182 Ca 0.05 0.30 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 3haj n SER 182 Cb 0.21 -1.29 0.12 0.00 -0.26 0.00 0.00 64.21 62.99 3haj n SER 182 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3haj s LEU 183 N -3.34 2.36 0.35 1.04 1.43 -1.26 -5.16 118.68 114.10 3haj s LEU 183 Ca 0.61 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 3haj s LEU 183 Cb -0.21 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.20 3haj s LEU 183 CO 0.64 -2.34 0.64 0.54 0.23 0.00 0.00 176.35 176.06 3haj s ASN 184 N -3.70 0.30 0.05 2.29 6.03 -1.26 -5.04 114.94 113.61 3haj s ASN 184 Ca 0.62 -1.20 -0.10 0.00 -1.03 0.00 0.00 52.86 51.15 3haj s ASN 184 Cb -0.16 0.75 -0.32 0.00 -3.03 0.00 0.00 41.25 38.49 3haj s ASN 184 CO 0.55 -1.47 1.07 1.55 -2.03 0.00 0.00 177.10 176.78 3haj h PRO 185 N 2.06 0.42 0.00 3.55 0.13 -2.01 -3.32 132.00 132.83 3haj h PRO 185 Ca -0.29 -0.71 -0.12 0.00 -0.87 0.00 0.00 66.00 64.01 3haj h PRO 185 Cb 1.25 0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 3haj h PRO 185 CO 0.38 1.34 -0.60 1.49 -0.23 0.00 0.00 178.00 180.37 3haj h GLU 186 N 0.12 0.00 0.00 0.86 4.57 -2.02 -3.20 114.58 114.90 3haj h GLU 186 Ca -0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3haj h GLU 186 Cb 2.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.66 3haj h GLU 186 CO 0.24 0.54 -0.05 0.37 -1.18 0.00 0.00 179.01 178.93 3haj h GLN 187 N 0.00 0.00 0.02 1.92 5.75 -1.97 -3.16 115.11 117.67 3haj h GLN 187 Ca -0.01 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3haj h GLN 187 Cb 1.43 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.99 3haj h GLN 187 CO 0.07 0.05 -0.24 1.25 -2.65 0.00 0.00 178.83 177.31 3haj h LEU 188 N 0.00 0.18 -1.77 -2.39 6.46 -1.65 -2.77 115.31 113.37 3haj h LEU 188 Ca -0.00 -0.85 0.20 0.00 -0.12 0.00 0.00 57.88 57.11 3haj h LEU 188 Cb 0.27 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 3haj h LEU 188 CO 0.01 1.01 0.54 0.50 -0.62 0.00 0.00 178.44 179.88 3haj h LYS 189 N -0.62 0.20 -0.17 1.25 1.63 -1.70 0.93 116.57 118.09 3haj h LYS 189 Ca -0.03 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.58 3haj h LYS 189 Cb 1.06 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.65 3haj h LYS 189 CO 0.05 0.13 -0.58 -0.22 -3.45 0.00 0.00 179.45 175.38 3haj h LYS 190 N 0.21 0.69 -0.26 1.90 1.63 -1.61 -1.65 116.57 117.48 3haj h LYS 190 Ca 0.39 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3haj h LYS 190 Cb 1.22 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3haj h LYS 190 CO -0.08 1.14 0.00 1.28 -3.45 0.00 0.00 179.45 178.34 3haj n LEU 191 N -4.10 1.36 -0.04 5.20 7.99 0.85 -2.28 117.00 125.97 3haj n LEU 191 Ca -0.07 -0.68 -0.04 0.00 -0.01 0.00 0.00 56.01 55.21 3haj n LEU 191 Cb 0.64 -0.18 -0.08 0.00 -0.11 0.00 0.00 43.42 43.70 3haj n LEU 191 CO 0.49 0.33 -0.80 1.67 -1.51 0.00 0.00 177.39 177.57 3haj n GLN 192 N 0.23 2.25 0.01 3.23 7.27 0.29 -4.52 117.38 126.14 3haj n GLN 192 Ca 0.08 -0.01 -0.14 0.00 0.07 0.00 0.00 57.00 57.00 3haj n GLN 192 Cb 0.22 -1.25 -0.14 0.00 2.41 0.00 0.00 30.24 31.48 3haj n GLN 192 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3haj h ASP 193 N 0.00 0.21 -1.01 1.69 3.32 -1.28 -3.34 116.42 116.02 3haj h ASP 193 Ca -0.24 -0.40 0.23 0.00 0.02 0.00 0.00 57.03 56.64 3haj h ASP 193 Cb 1.52 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.89 3haj h ASP 193 CO 0.01 1.35 0.62 0.11 -1.72 0.00 0.00 179.24 179.61 3haj h LYS 194 N 0.04 0.56 -0.10 3.56 1.57 -1.69 -0.61 116.57 119.89 3haj h LYS 194 Ca -0.30 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.21 3haj h LYS 194 Cb 2.01 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 34.20 3haj h LYS 194 CO 0.10 0.37 -0.86 0.97 -0.57 0.00 0.00 179.45 179.47 3haj h ILE 195 N 0.58 1.29 -0.46 1.86 -0.00 -1.79 -3.14 117.51 115.85 3haj h ILE 195 Ca 0.60 -2.09 -0.02 0.00 -0.00 0.00 0.00 64.86 63.36 3haj h ILE 195 Cb 1.20 2.12 -0.02 0.00 -0.00 0.00 0.00 36.82 40.12 3haj h ILE 195 CO -0.38 0.65 0.22 -0.08 -0.00 0.00 0.00 178.15 178.56 3haj h GLU 196 N 0.46 0.66 -0.05 2.19 4.57 -1.24 -0.76 114.58 120.42 3haj h GLU 196 Ca -0.07 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 3haj h GLU 196 Cb 1.49 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 3haj h GLU 196 CO 0.17 0.57 -0.15 0.87 -1.18 0.00 0.00 179.01 179.29 3haj h LYS 197 N 0.60 0.07 -0.18 1.92 1.79 -1.53 -2.39 116.57 116.85 3haj h LYS 197 Ca 0.16 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 3haj h LYS 197 Cb 0.13 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3haj h LYS 197 CO -0.02 0.23 -0.33 0.00 -1.08 0.00 0.00 179.45 178.24 3haj n LYS 199 N -4.33 0.14 0.05 0.00 4.81 -0.39 -2.36 118.16 116.09 3haj n LYS 199 Ca -0.06 0.42 -0.22 0.00 -0.87 0.00 0.00 58.31 57.58 3haj n LYS 199 Cb 0.49 -1.80 -0.14 0.00 0.02 0.00 0.00 35.03 33.60 3haj n LYS 199 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3haj h GLN 200 N 0.00 0.34 -0.71 1.64 1.08 -0.89 -3.34 115.11 113.22 3haj h GLN 200 Ca 0.00 -0.57 -0.06 0.00 -1.45 0.00 0.00 58.65 56.57 3haj h GLN 200 Cb 0.28 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 3haj h GLN 200 CO 0.00 1.27 0.22 -0.44 -0.95 0.00 0.00 178.83 178.93 3haj h ASP 201 N -0.09 1.04 0.46 1.46 3.32 -0.59 -0.03 116.42 122.00 3haj h ASP 201 Ca -0.31 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 3haj h ASP 201 Cb 1.94 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 3haj h ASP 201 CO 0.13 0.97 -0.07 0.58 -1.72 0.00 0.00 179.24 179.13 3haj h VAL 202 N 1.05 0.33 0.00 -1.35 2.07 -1.68 0.76 116.25 117.43 3haj h VAL 202 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3haj h VAL 202 Cb 0.31 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3haj h VAL 202 CO -0.01 0.07 -1.04 -0.11 0.02 0.00 0.00 177.57 176.50 3haj n LEU 203 N -3.40 0.70 -0.11 2.57 0.00 -0.90 -3.67 117.00 112.19 3haj n LEU 203 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 56.01 55.58 3haj n LEU 203 Cb 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 43.51 3haj n LEU 203 CO 0.28 0.14 -0.93 2.29 0.00 0.00 0.00 177.39 179.17 3haj n LYS 204 N -1.72 0.55 0.08 1.96 -0.00 -0.07 -4.06 118.16 114.89 3haj n LYS 204 Ca 0.03 0.32 0.01 0.00 -0.00 0.00 0.00 58.31 58.66 3haj n LYS 204 Cb 0.39 -1.53 0.33 0.00 -0.00 0.00 0.00 35.03 34.22 3haj n LYS 204 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3haj h THR 205 N -1.00 1.20 -0.72 0.58 2.02 0.23 0.63 112.91 115.85 3haj h THR 205 Ca -0.33 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.00 3haj h THR 205 Cb 1.23 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3haj h THR 205 CO -0.20 0.29 0.47 0.50 0.37 0.00 0.00 175.52 176.95 3haj h LYS 206 N 0.31 0.75 -0.35 6.66 3.11 -1.68 0.11 116.57 125.48 3haj h LYS 206 Ca 0.06 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 3haj h LYS 206 Cb 0.44 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 3haj h LYS 206 CO 0.03 0.50 0.14 1.49 -2.81 0.00 0.00 179.45 178.79 3haj h GLU 207 N 0.78 0.52 -0.24 1.90 4.22 -1.02 0.12 114.58 120.86 3haj h GLU 207 Ca 0.30 -0.10 -0.17 0.00 0.08 0.00 0.00 59.36 59.48 3haj h GLU 207 Cb 0.21 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3haj h GLU 207 CO -0.10 0.52 -0.54 0.87 -2.18 0.00 0.00 179.01 177.58 3haj h LYS 208 N 0.42 0.71 -0.77 1.92 1.57 -1.15 -0.88 116.57 118.39 3haj h LYS 208 Ca 0.12 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3haj h LYS 208 Cb 0.19 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3haj h LYS 208 CO -0.01 1.07 0.30 -0.92 -0.57 0.00 0.00 179.45 179.31 3haj h TYR 209 N 0.55 1.18 -0.27 -1.35 3.20 -0.64 -1.84 116.97 117.80 3haj h TYR 209 Ca 0.01 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 3haj h TYR 209 Cb 1.11 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3haj h TYR 209 CO 0.06 0.90 -0.33 0.93 -1.64 0.00 0.00 178.16 178.08 3haj h GLU 210 N 1.13 0.58 -0.34 1.82 4.39 -0.64 -2.92 114.58 118.60 3haj h GLU 210 Ca 0.26 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3haj h GLU 210 Cb 0.23 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3haj h GLU 210 CO -0.02 0.83 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.28 3haj h LYS 211 N 0.49 0.70 -0.20 2.33 3.64 -0.62 -2.99 116.57 119.92 3haj h LYS 211 Ca 0.06 -0.31 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 3haj h LYS 211 Cb 0.81 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3haj h LYS 211 CO 0.07 0.91 -0.52 0.77 -2.27 0.00 0.00 179.45 178.40 3haj h SER 212 N 0.48 0.64 -0.83 4.20 0.02 -1.41 0.16 113.55 116.81 3haj h SER 212 Ca 0.07 -0.33 0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3haj h SER 212 Cb 0.70 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 3haj h SER 212 CO 0.05 1.05 0.44 -0.07 -1.14 0.00 0.00 176.83 177.16 3haj h LEU 213 N 0.45 0.58 0.00 5.07 -0.00 -1.44 0.18 115.31 120.16 3haj h LEU 213 Ca 0.01 0.07 -0.19 0.00 -0.00 0.00 0.00 57.88 57.77 3haj h LEU 213 Cb 1.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 3haj h LEU 213 CO 0.10 0.29 -1.15 0.11 -0.00 0.00 0.00 178.44 177.79 3haj h LYS 214 N 0.69 0.00 0.00 1.13 1.79 -1.43 -3.14 116.57 115.61 3haj h LYS 214 Ca 0.43 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.87 3haj h LYS 214 Cb 0.51 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 3haj h LYS 214 CO -0.31 0.58 -0.13 1.49 -1.08 0.00 0.00 179.45 180.00 3haj h GLU 215 N 0.00 0.00 0.08 3.15 4.81 0.46 -2.47 114.58 120.62 3haj h GLU 215 Ca -0.11 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 3haj h GLU 215 Cb 1.68 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.08 3haj h GLU 215 CO 0.08 0.13 -0.76 -0.07 -0.73 0.00 0.00 179.01 177.66 3haj h LEU 216 N 0.00 0.54 0.00 1.64 3.38 -0.76 -3.29 115.31 116.82 3haj h LEU 216 Ca -0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3haj h LEU 216 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3haj h LEU 216 CO 0.02 1.34 0.00 0.47 0.09 0.00 0.00 178.44 180.36 3haj n ASP 217 N -4.13 0.00 -0.00 -0.43 8.00 -0.94 0.08 116.55 119.12 3haj n ASP 217 Ca -0.12 0.27 0.08 0.00 0.71 0.00 0.00 54.79 55.73 3haj n ASP 217 Cb 0.77 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 3haj n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3haj n GLN 218 N -1.32 1.38 0.00 -1.24 6.02 -1.14 -4.21 117.38 116.87 3haj n GLN 218 Ca 0.02 -0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 3haj n GLN 218 Cb 0.03 -1.30 0.03 0.00 1.02 0.00 0.00 30.24 30.02 3haj n GLN 218 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3haj n GLY 219 N 1.41 -0.31 0.11 1.08 0.00 0.11 -4.63 105.19 102.96 3haj n GLY 219 Ca 0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 3haj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3haj h THR 220 N 1.80 1.43 -0.36 2.61 1.03 -0.53 -3.12 112.91 115.77 3haj h THR 220 Ca 0.00 -2.98 -0.07 0.00 -0.01 0.00 0.00 66.41 63.35 3haj h THR 220 Cb 0.41 2.94 -0.02 0.00 -1.07 0.00 0.00 68.15 70.42 3haj h THR 220 CO 0.00 0.87 -0.08 1.55 -0.01 0.00 0.00 175.52 177.85 3haj h PRO 221 N 0.09 0.60 0.00 0.00 0.13 -1.82 -0.90 132.00 130.10 3haj h PRO 221 Ca -0.17 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3haj h PRO 221 Cb 2.01 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 33.07 3haj h PRO 221 CO 0.21 0.68 0.00 0.94 -0.23 0.00 0.00 178.00 179.60 3haj n GLN 222 N -4.21 0.12 0.02 0.86 -0.06 -1.25 -2.89 117.38 109.97 3haj n GLN 222 Ca 0.01 0.18 -0.18 0.00 -2.00 0.00 0.00 57.00 55.01 3haj n GLN 222 Cb 0.31 -1.67 -0.12 0.00 -4.06 0.00 0.00 30.24 24.70 3haj n GLN 222 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 3haj h TYR 223 N 0.00 0.56 -0.29 3.69 3.20 -1.10 -3.16 116.97 119.87 3haj h TYR 223 Ca 0.00 -0.34 -0.15 0.00 3.14 0.00 0.00 58.73 61.38 3haj h TYR 223 Cb 0.53 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3haj h TYR 223 CO 0.00 1.20 -0.41 0.52 -1.64 0.00 0.00 178.16 177.83 3haj h MET 224 N -0.23 0.71 -0.59 1.82 2.86 -1.46 -2.17 114.93 115.86 3haj h MET 224 Ca -0.10 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.18 3haj h MET 224 Cb 1.42 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.06 3haj h MET 224 CO 0.13 0.99 0.38 1.49 1.06 0.00 0.00 176.91 180.96 3haj h GLU 225 N 0.58 0.75 -0.13 1.72 4.81 -1.64 0.79 114.58 121.46 3haj h GLU 225 Ca 0.05 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3haj h GLU 225 Cb 0.95 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3haj h GLU 225 CO 0.09 0.50 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.31 3haj h ASN 226 N 0.77 0.57 -0.24 1.04 4.21 -1.54 -2.54 115.58 117.85 3haj h ASN 226 Ca 0.22 -0.34 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 3haj h ASN 226 Cb -0.06 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 3haj h ASN 226 CO -0.06 1.06 -0.15 -0.03 -1.29 0.00 0.00 177.43 176.96 3haj h MET 227 N 0.36 0.67 -0.06 0.81 4.05 -0.98 -2.73 114.93 117.04 3haj h MET 227 Ca -0.01 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.16 3haj h MET 227 Cb 1.21 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3haj h MET 227 CO 0.12 0.79 -0.03 1.49 0.23 0.00 0.00 176.91 179.50 3haj h GLU 228 N 0.60 0.14 -0.70 0.39 4.57 -0.81 -1.93 114.58 116.83 3haj h GLU 228 Ca 0.10 -0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.35 3haj h GLU 228 Cb 0.60 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3haj h GLU 228 CO 0.04 0.52 0.47 1.96 -1.18 0.00 0.00 179.01 180.82 3haj h GLN 229 N -0.25 0.40 0.03 1.92 4.20 -1.36 0.14 115.11 120.19 3haj h GLN 229 Ca 0.01 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 3haj h GLN 229 Cb 0.48 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3haj h GLN 229 CO 0.01 0.26 -0.99 0.28 -0.67 0.00 0.00 178.83 177.72 3haj h VAL 230 N 0.41 1.59 -0.06 -0.54 2.07 -1.42 -3.19 116.25 115.11 3haj h VAL 230 Ca 0.34 -3.04 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 3haj h VAL 230 Cb 0.75 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3haj h VAL 230 CO -0.10 0.88 -0.06 0.15 0.02 0.00 0.00 177.57 178.46 3haj h PHE 231 N 0.04 0.18 -0.46 1.57 3.04 0.00 -2.83 116.94 118.48 3haj h PHE 231 Ca -0.05 -0.05 0.08 0.00 3.98 0.00 0.00 57.97 61.94 3haj h PHE 231 Cb 1.69 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.14 3haj h PHE 231 CO 0.02 0.58 0.31 1.49 -2.02 0.00 0.00 178.31 178.70 3haj h GLU 232 N -0.29 0.25 -0.79 1.11 4.57 -1.13 0.37 114.58 118.67 3haj h GLU 232 Ca 0.01 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3haj h GLU 232 Cb 0.55 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 3haj h GLU 232 CO 0.01 0.16 0.32 0.37 -1.18 0.00 0.00 179.01 178.70 3haj h GLN 233 N 0.25 1.18 -0.14 1.92 5.75 -1.50 0.23 115.11 122.81 3haj h GLN 233 Ca 0.21 -0.21 -0.20 0.00 -0.15 0.00 0.00 58.65 58.29 3haj h GLN 233 Cb 0.50 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3haj h GLN 233 CO -0.04 0.95 -0.74 0.00 -2.65 0.00 0.00 178.83 176.36 3haj h GLN 235 N 0.45 0.56 -0.96 0.00 1.08 -0.74 0.34 115.11 115.85 3haj h GLN 235 Ca -0.04 -0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.29 3haj h GLN 235 Cb 1.34 -0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.55 3haj h GLN 235 CO 0.14 0.37 0.57 0.37 -0.95 0.00 0.00 178.83 179.33 3haj h GLN 236 N 0.58 0.77 0.10 1.46 5.75 -0.44 0.27 115.11 123.59 3haj h GLN 236 Ca 0.16 -0.05 -0.26 0.00 -0.15 0.00 0.00 58.65 58.35 3haj h GLN 236 Cb -0.06 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.32 3haj h GLN 236 CO -0.04 0.51 -1.17 0.35 -2.65 0.00 0.00 178.83 175.83 3haj h PHE 237 N 0.79 0.54 -0.02 3.99 3.04 -1.20 -3.23 116.94 120.84 3haj h PHE 237 Ca 0.52 -0.36 -0.12 0.00 3.98 0.00 0.00 57.97 61.99 3haj h PHE 237 Cb 0.72 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 3haj h PHE 237 CO -0.03 1.25 -0.55 1.49 -2.02 0.00 0.00 178.31 178.45 3haj h GLU 238 N 0.12 0.06 -0.38 1.11 4.57 0.17 -3.14 114.58 117.08 3haj h GLU 238 Ca -0.12 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 3haj h GLU 238 Cb 1.87 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.44 3haj h GLU 238 CO 0.19 0.60 0.09 1.49 -1.18 0.00 0.00 179.01 180.20 3haj h GLU 239 N 0.04 0.62 -0.53 1.92 4.81 -0.55 -1.02 114.58 119.87 3haj h GLU 239 Ca -0.00 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3haj h GLU 239 Cb 0.99 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 3haj h GLU 239 CO 0.08 0.65 0.29 0.87 -0.73 0.00 0.00 179.01 180.17 3haj h LYS 240 N 0.48 0.55 -0.44 1.92 1.57 -1.57 0.10 116.57 119.18 3haj h LYS 240 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3haj h LYS 240 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3haj h LYS 240 CO 0.00 0.36 0.16 -0.09 -0.57 0.00 0.00 179.45 179.31 3haj h ARG 241 N 0.56 0.68 -0.52 3.15 2.43 -1.46 -0.93 114.38 118.29 3haj h ARG 241 Ca 0.23 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3haj h ARG 241 Cb 0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3haj h ARG 241 CO -0.14 0.64 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.79 3haj h LEU 242 N 0.58 1.00 -1.02 3.80 3.38 -0.83 -1.58 115.31 120.63 3haj h LEU 242 Ca 0.15 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3haj h LEU 242 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3haj h LEU 242 CO -0.01 1.12 -0.29 0.03 0.09 0.00 0.00 178.44 179.38 3haj h ARG 243 N 0.86 0.35 -0.37 1.13 3.08 -0.72 -2.80 114.38 115.91 3haj h ARG 243 Ca 0.14 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3haj h ARG 243 Cb 0.67 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3haj h ARG 243 CO 0.05 0.61 -0.17 0.35 -1.07 0.00 0.00 179.97 179.73 3haj h PHE 244 N 0.31 0.88 -0.53 3.04 3.04 -0.82 -2.20 116.94 120.65 3haj h PHE 244 Ca 0.04 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.78 3haj h PHE 244 Cb 0.67 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 3haj h PHE 244 CO 0.02 0.95 0.33 0.74 -2.02 0.00 0.00 178.31 178.33 3haj h PHE 245 N 0.56 0.68 -0.37 0.41 -1.00 -1.21 -0.36 116.94 115.64 3haj h PHE 245 Ca 0.08 0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.93 3haj h PHE 245 Cb 0.72 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 40.00 3haj h PHE 245 CO 0.06 0.45 0.06 -0.09 -1.61 0.00 0.00 178.31 177.18 3haj h ARG 246 N 0.71 0.17 0.10 1.51 2.43 -1.43 -0.61 114.38 117.26 3haj h ARG 246 Ca 0.19 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3haj h ARG 246 Cb -0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3haj h ARG 246 CO -0.04 0.11 -0.17 1.49 -1.51 0.00 0.00 179.97 179.85 3haj h GLU 247 N 0.17 -0.32 -0.71 0.20 4.81 -0.76 -2.48 114.58 115.49 3haj h GLU 247 Ca 0.18 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3haj h GLU 247 Cb 0.22 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3haj h GLU 247 CO -0.25 -0.21 0.27 0.28 -0.73 0.00 0.00 179.01 178.37 3haj h VAL 248 N -0.33 1.25 -0.68 0.32 2.07 -0.87 -2.53 116.25 115.47 3haj h VAL 248 Ca 0.02 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3haj h VAL 248 Cb 0.35 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3haj h VAL 248 CO -0.09 0.32 0.45 -0.07 0.02 0.00 0.00 177.57 178.20 3haj h LEU 249 N 1.02 0.78 -1.10 2.57 3.38 -0.98 -0.41 115.31 120.58 3haj h LEU 249 Ca 0.24 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3haj h LEU 249 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3haj h LEU 249 CO -0.02 0.56 -0.19 -0.07 0.09 0.00 0.00 178.44 178.81 3haj h LEU 250 N 0.92 0.39 -0.59 1.67 3.38 -1.04 -1.09 115.31 118.96 3haj h LEU 250 Ca 0.25 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3haj h LEU 250 Cb -0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3haj h LEU 250 CO -0.05 0.60 -0.68 -0.33 0.09 0.00 0.00 178.44 178.07 3haj h GLU 251 N 0.37 0.13 -0.06 1.13 5.08 -0.80 -2.48 114.58 117.95 3haj h GLU 251 Ca 0.06 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3haj h GLU 251 Cb 0.55 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3haj h GLU 251 CO 0.04 0.76 -0.65 0.28 -1.00 0.00 0.00 179.01 178.44 3haj h VAL 252 N 0.09 1.36 -0.91 3.13 2.07 -0.87 -2.49 116.25 118.63 3haj h VAL 252 Ca -0.01 -1.99 0.09 0.00 0.82 0.00 0.00 66.70 65.61 3haj h VAL 252 Cb 1.21 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 33.24 3haj h VAL 252 CO 0.10 0.60 0.56 -0.61 0.02 0.00 0.00 177.57 178.24 3haj h GLN 253 N 0.14 0.92 -0.69 1.57 -0.00 -1.19 0.32 115.11 116.18 3haj h GLN 253 Ca -0.06 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 3haj h GLN 253 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 27.48 28.56 3haj h GLN 253 CO 0.13 0.61 0.29 -0.22 0.00 0.00 0.00 178.83 179.63 3haj h LYS 254 N 0.94 1.02 -0.10 1.69 3.64 -1.44 -2.27 116.57 120.05 3haj h LYS 254 Ca 0.43 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 3haj h LYS 254 Cb 0.34 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3haj h LYS 254 CO -0.23 0.84 -0.67 0.45 -2.27 0.00 0.00 179.45 177.57 3haj h HIS 255 N 0.97 0.57 0.00 1.91 3.86 -0.62 -2.96 115.15 118.88 3haj h HIS 255 Ca 0.23 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3haj h HIS 255 Cb 0.19 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 3haj h HIS 255 CO 0.01 0.98 -0.17 -0.07 0.86 0.00 0.00 177.93 179.54 3haj h LEU 256 N 0.31 0.00 -8.85 2.43 3.38 -0.36 -3.44 115.31 108.77 3haj h LEU 256 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 3haj h LEU 256 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3haj h LEU 256 CO 0.12 0.17 1.10 -0.62 0.09 0.00 0.00 178.44 179.29 3haj s ASP 257 N -6.08 6.32 -0.01 -0.43 -1.08 -0.86 -4.83 116.67 109.69 3haj s ASP 257 Ca 0.01 1.05 0.03 0.00 -0.52 0.00 0.00 52.55 53.13 3haj s ASP 257 Cb 0.10 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 39.10 3haj s ASP 257 CO 0.62 -1.41 1.06 0.18 0.52 0.00 0.00 175.17 176.14 3haj n LEU 258 N 8.85 2.21 0.19 -1.34 4.77 -1.26 -4.72 117.00 125.69 3haj n LEU 258 Ca 0.18 -2.09 0.14 0.00 -0.03 0.00 0.00 56.01 54.21 3haj n LEU 258 Cb 0.47 -0.07 0.43 0.00 -2.33 0.00 0.00 43.42 41.91 3haj n LEU 258 CO 0.68 0.56 0.89 0.77 -1.33 0.00 0.00 177.39 178.95 3haj h SER 259 N 0.37 0.00 -2.21 -1.43 4.64 -1.99 -3.37 113.55 109.56 3haj h SER 259 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3haj h SER 259 Cb 0.59 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.32 3haj h SER 259 CO 0.00 0.00 -0.89 0.21 -0.87 0.00 0.00 176.83 175.28 3haj s ASN 260 N -5.25 1.26 -0.08 4.97 3.04 -1.26 -5.09 114.94 112.53 3haj s ASN 260 Ca 0.06 -2.72 0.01 0.00 0.04 0.00 0.00 52.86 50.25 3haj s ASN 260 Cb 0.09 -0.10 0.02 0.00 -1.54 0.00 0.00 41.25 39.71 3haj s ASN 260 CO 0.56 -0.18 -0.08 -0.69 -3.04 0.00 0.00 177.10 173.67 3haj s VAL 261 N 0.36 0.91 0.14 -5.21 1.01 -1.26 -5.04 120.40 111.32 3haj s VAL 261 Ca 0.30 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3haj s VAL 261 Cb -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3haj s VAL 261 CO -0.15 0.32 1.71 0.00 0.00 0.00 0.00 175.10 176.99 3haj h ALA 262 N 7.48 0.25 0.00 5.51 0.00 -1.99 0.60 119.26 131.11 3haj h ALA 262 Ca -0.31 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3haj h ALA 262 Cb 1.16 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3haj h ALA 262 CO 0.44 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3haj n GLY 263 N -1.22 -0.74 0.11 0.00 0.00 -1.26 -1.98 105.19 100.09 3haj n GLY 263 Ca -0.00 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3haj n GLY 263 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3haj n TYR 264 N -1.67 0.82 -0.36 1.61 9.36 0.13 -3.90 117.16 123.13 3haj n TYR 264 Ca 0.01 0.35 0.05 0.00 3.32 0.00 0.00 57.90 61.64 3haj n TYR 264 Cb 0.06 -1.03 0.22 0.00 -0.63 0.00 0.00 39.34 37.96 3haj n TYR 264 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 3haj h LYS 265 N -1.00 1.03 -0.79 2.98 1.57 -1.24 -1.80 116.57 117.31 3haj h LYS 265 Ca -0.36 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3haj h LYS 265 Cb 1.26 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 3haj h LYS 265 CO -0.22 0.68 0.52 0.00 -0.57 0.00 0.00 179.45 179.87 3haj h ALA 266 N 1.51 2.07 -0.33 3.86 0.00 -1.56 0.99 119.26 125.79 3haj h ALA 266 Ca 0.47 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.44 3haj h ALA 266 Cb 0.36 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3haj h ALA 266 CO -0.23 -0.28 0.03 0.82 0.00 0.00 0.00 179.25 179.59 3haj h ILE 267 N 0.47 0.79 0.00 0.00 2.04 -1.44 -0.57 117.51 118.80 3haj h ILE 267 Ca 0.39 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.21 3haj h ILE 267 Cb 0.85 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3haj h ILE 267 CO -0.14 0.02 -0.67 1.88 0.00 0.00 0.00 178.15 179.25 3haj h TYR 268 N 0.13 0.00 0.02 1.37 0.05 -1.46 -1.44 116.97 115.65 3haj h TYR 268 Ca 0.16 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.97 3haj h TYR 268 Cb 0.20 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 3haj h TYR 268 CO -0.21 0.00 -0.31 1.25 -1.05 0.00 0.00 178.16 177.84 3haj h HIS 269 N 0.00 -0.84 0.00 4.88 2.76 -0.24 -2.39 115.15 119.32 3haj h HIS 269 Ca 0.00 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 3haj h HIS 269 Cb 0.77 0.37 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 3haj h HIS 269 CO 0.00 -0.40 -0.96 -0.44 -1.30 0.00 0.00 177.93 174.82 3haj h ASP 270 N -0.47 0.00 0.17 3.26 5.19 -1.04 -3.20 116.42 120.34 3haj h ASP 270 Ca 0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3haj h ASP 270 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3haj h ASP 270 CO -0.24 0.78 -0.08 0.25 -3.12 0.00 0.00 179.24 176.83 3haj h LEU 271 N 0.00 -0.20 -0.93 1.55 6.46 -1.28 0.69 115.31 121.61 3haj h LEU 271 Ca -0.06 -0.19 0.09 0.00 -0.12 0.00 0.00 57.88 57.60 3haj h LEU 271 Cb 1.65 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.55 3haj h LEU 271 CO 0.09 0.09 0.57 -0.08 -0.62 0.00 0.00 178.44 178.50 3haj h GLU 272 N -0.49 0.94 0.00 1.25 4.81 -1.53 0.62 114.58 120.17 3haj h GLU 272 Ca -0.02 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3haj h GLU 272 Cb 0.38 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3haj h GLU 272 CO 0.04 0.62 -0.83 -0.56 -0.73 0.00 0.00 179.01 177.55 3haj h GLN 273 N 0.97 0.00 0.00 1.92 3.07 -1.53 -0.06 115.11 119.48 3haj h GLN 273 Ca 0.44 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.04 3haj h GLN 273 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 3haj h GLN 273 CO -0.23 0.83 -0.65 0.77 0.09 0.00 0.00 178.83 179.63 3haj h SER 274 N 0.00 0.00 0.06 0.06 0.02 -0.25 -1.71 113.55 111.73 3haj h SER 274 Ca -0.01 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 3haj h SER 274 Cb 1.58 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.14 3haj h SER 274 CO 0.11 0.65 -0.78 0.40 -1.14 0.00 0.00 176.83 176.07 3haj h ILE 275 N 0.00 1.42 0.00 3.27 2.04 -0.80 -3.23 117.51 120.21 3haj h ILE 275 Ca -0.01 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3haj h ILE 275 Cb 1.17 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3haj h ILE 275 CO 0.08 0.66 0.00 0.03 0.00 0.00 0.00 178.15 178.93 3haj h ARG 276 N -0.10 0.00 0.00 2.37 3.08 -0.98 -1.37 114.38 117.37 3haj h ARG 276 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3haj h ARG 276 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3haj h ARG 276 CO 0.15 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 3haj n ALA 277 N -1.91 2.07 -1.77 0.04 0.00 -0.65 -4.78 120.51 113.51 3haj n ALA 277 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3haj n ALA 277 Cb 0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3haj n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haj s ALA 278 N -2.58 3.51 -0.19 0.00 0.00 -0.52 -4.94 121.76 117.04 3haj s ALA 278 Ca 0.19 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 3haj s ALA 278 Cb 0.14 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.86 3haj s ALA 278 CO 0.31 -0.67 0.22 0.34 0.00 0.00 0.00 175.76 175.96 3haj s ASP 279 N -0.44 1.21 0.03 0.00 3.68 -1.26 -5.01 116.67 114.87 3haj s ASP 279 Ca 0.49 -0.09 -0.22 0.00 2.13 0.00 0.00 52.55 54.86 3haj s ASP 279 Cb -0.40 0.42 -0.16 0.00 -1.45 0.00 0.00 42.92 41.33 3haj s ASP 279 CO 0.53 -0.31 1.36 0.00 0.13 0.00 0.00 175.17 176.88 3haj h ALA 280 N 8.31 0.15 -0.95 3.66 0.00 -2.00 -2.85 119.26 125.59 3haj h ALA 280 Ca -0.17 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.57 3haj h ALA 280 Cb 1.15 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 3haj h ALA 280 CO 0.26 -0.05 0.59 0.28 0.00 0.00 0.00 179.25 180.32 3haj h VAL 281 N -0.14 0.97 -0.16 0.00 2.07 -1.99 -1.34 116.25 115.66 3haj h VAL 281 Ca 0.02 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3haj h VAL 281 Cb 0.55 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3haj h VAL 281 CO 0.02 0.18 -0.15 -0.08 0.02 0.00 0.00 177.57 177.56 3haj h GLU 282 N 0.98 0.38 -1.00 1.57 4.22 -1.99 -1.84 114.58 116.91 3haj h GLU 282 Ca 0.45 -0.20 0.03 0.00 0.08 0.00 0.00 59.36 59.72 3haj h GLU 282 Cb 0.35 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3haj h GLU 282 CO -0.23 0.75 0.66 -0.44 -2.18 0.00 0.00 179.01 177.57 3haj h ASP 283 N 0.02 1.11 -0.35 1.04 5.19 -1.20 -1.48 116.42 120.75 3haj h ASP 283 Ca 0.03 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 3haj h ASP 283 Cb 0.68 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3haj h ASP 283 CO 0.04 0.77 -0.29 -0.07 -3.12 0.00 0.00 179.24 176.57 3haj h LEU 284 N 1.29 0.86 -1.40 1.55 3.38 -1.21 -2.28 115.31 117.50 3haj h LEU 284 Ca 0.39 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3haj h LEU 284 Cb -0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3haj h LEU 284 CO -0.11 1.13 0.37 0.03 0.09 0.00 0.00 178.44 179.96 3haj h ARG 285 N 0.60 0.78 -0.34 1.13 3.08 -0.87 -1.51 114.38 117.24 3haj h ARG 285 Ca 0.06 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3haj h ARG 285 Cb 0.86 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3haj h ARG 285 CO 0.07 0.53 -0.29 2.35 -1.07 0.00 0.00 179.97 181.56 3haj h TRP 286 N 0.80 0.83 -0.18 3.04 7.01 -1.09 -3.03 115.95 123.32 3haj h TRP 286 Ca 0.21 -0.21 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 3haj h TRP 286 Cb -0.07 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3haj h TRP 286 CO 0.00 0.93 -0.29 0.35 -2.79 0.00 0.00 178.44 176.64 3haj h PHE 287 N 0.61 0.64 -0.65 2.65 3.04 -0.72 -1.67 116.94 120.84 3haj h PHE 287 Ca 0.07 -0.22 -0.06 0.00 3.98 0.00 0.00 57.97 61.74 3haj h PHE 287 Cb 0.81 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 3haj h PHE 287 CO 0.04 0.93 0.15 0.07 -2.02 0.00 0.00 178.31 177.48 3haj h ARG 288 N 0.17 1.03 -0.10 1.11 -0.00 -1.44 0.86 114.38 116.02 3haj h ARG 288 Ca 0.02 -0.24 -0.15 0.00 -0.00 0.00 0.00 59.98 59.61 3haj h ARG 288 Cb 0.87 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.69 3haj h ARG 288 CO 0.07 0.92 -0.58 0.00 -0.00 0.00 0.00 179.97 180.38 3haj h ALA 289 N 1.18 0.83 -0.01 0.08 0.00 -1.52 0.23 119.26 120.05 3haj h ALA 289 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3haj h ALA 289 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3haj h ALA 289 CO 0.00 0.71 -0.45 0.09 0.00 0.00 0.00 179.25 179.60 3haj n ASN 290 N -3.91 1.49 0.00 0.00 4.13 -0.63 -3.44 115.26 112.90 3haj n ASN 290 Ca -0.03 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 54.99 3haj n ASN 290 Cb 0.60 0.59 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 3haj n ASN 290 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3haj n HIS 291 N -0.39 0.00 -1.84 3.10 8.25 0.30 -5.01 115.22 119.63 3haj n HIS 291 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3haj n HIS 291 Cb 0.34 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3haj n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3haj n GLY 292 N 0.00 5.22 0.35 -1.41 0.00 0.66 -4.92 105.19 105.10 3haj n GLY 292 Ca 0.00 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.67 3haj n GLY 292 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3haj h PRO 293 N 0.00 0.00 0.00 1.61 0.11 -1.89 0.38 132.00 132.21 3haj h PRO 293 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3haj h PRO 293 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3haj h PRO 293 CO 0.00 0.00 -0.02 0.78 -0.21 0.00 0.00 178.00 178.55 3haj h GLY 294 N 0.00 0.00 -4.29 -0.55 0.00 -1.37 -3.42 103.07 93.44 3haj h GLY 294 Ca 0.12 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.92 3haj h GLY 294 CO -0.00 0.00 0.84 1.06 0.00 0.00 0.00 176.54 178.44 3haj s MET 295 N -4.77 4.18 0.61 4.80 -1.94 0.12 -4.84 119.30 117.46 3haj s MET 295 Ca -0.05 2.47 -0.10 0.00 -1.71 0.00 0.00 55.69 56.31 3haj s MET 295 Cb 0.16 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 3haj s MET 295 CO 0.60 -0.55 0.99 0.00 -0.01 0.00 0.00 175.02 176.04 3haj s ALA 296 N 0.05 3.13 0.05 3.03 0.00 -1.26 -5.02 121.76 121.74 3haj s ALA 296 Ca 0.62 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.35 3haj s ALA 296 Cb -0.45 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3haj s ALA 296 CO 0.45 -0.74 -0.14 1.41 0.00 0.00 0.00 175.76 176.75 3haj s MET 297 N -5.12 0.87 -1.19 0.00 0.00 -1.26 -5.05 119.30 107.55 3haj s MET 297 Ca 0.54 -0.85 -0.19 0.00 0.00 0.00 0.00 55.69 55.20 3haj s MET 297 Cb -0.11 -0.87 -0.03 0.00 0.00 0.00 0.00 34.83 33.82 3haj s MET 297 CO 0.51 0.20 1.97 0.09 0.00 0.00 0.00 175.02 177.79 3haj n ASN 298 N 1.60 3.63 -4.71 1.11 5.03 -1.26 -4.97 115.26 115.69 3haj n ASN 298 Ca -0.20 -2.79 -0.43 0.00 0.87 0.00 0.00 54.58 52.03 3haj n ASN 298 Cb 0.54 -1.56 -0.02 0.00 -1.02 0.00 0.00 39.78 37.73 3haj n ASN 298 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3haj n TRP 299 N 8.72 2.59 -1.73 3.10 7.02 -1.26 -4.88 117.44 130.99 3haj n TRP 299 Ca 0.49 0.29 -0.41 0.00 -1.02 0.00 0.00 57.50 56.85 3haj n TRP 299 Cb 0.43 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.76 3haj n TRP 299 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 3haj n PRO 300 N 2.38 2.23 -4.25 -0.99 -0.02 -1.26 -5.03 135.00 128.05 3haj n PRO 300 Ca 0.11 0.79 -0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3haj n PRO 300 Cb 0.34 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 3haj n PRO 300 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3haj s GLN 301 N -2.11 1.59 0.00 -0.52 -0.21 -1.26 -5.31 119.66 111.83 3haj s GLN 301 Ca 0.57 -1.89 0.16 0.00 0.02 0.00 0.00 55.36 54.22 3haj s GLN 301 Cb -0.51 0.31 0.95 0.00 1.00 0.00 0.00 33.01 34.76 3haj s GLN 301 CO 0.61 -0.57 1.36 1.97 -2.12 0.00 0.00 175.29 176.53