#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1esj s ARG -10 N 0.00 3.82 0.00 3.17 3.52 -1.23 -4.43 118.95 123.80 1esj s ARG -10 Ca 0.00 -1.95 0.00 0.00 -0.13 0.00 0.00 55.73 53.65 1esj s ARG -10 Cb 0.00 -5.14 0.00 0.00 -1.56 0.00 0.00 34.95 28.25 1esj s ARG -10 CO 0.00 -1.92 0.00 0.41 -0.81 0.00 0.00 175.30 172.98 1esj n GLY -9 N 5.28 0.74 2.98 8.12 0.00 -0.89 -4.58 105.19 116.84 1esj n GLY -9 Ca 0.33 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1esj n GLY -9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1esj s SER -8 N -1.00 4.13 0.00 1.61 0.15 -1.26 -0.49 113.70 116.84 1esj s SER -8 Ca 0.00 -1.36 0.21 0.00 0.70 0.00 0.00 55.95 55.50 1esj s SER -8 Cb 0.00 -1.32 0.30 0.00 -1.71 0.00 0.00 66.02 63.29 1esj s SER -8 CO 0.00 -0.24 1.27 1.41 1.20 0.00 0.00 173.24 176.88 1esj n HIS -7 N 4.56 0.28 -3.59 3.44 8.25 -1.26 -4.98 115.22 121.91 1esj n HIS -7 Ca -0.11 -0.16 -0.08 0.00 -0.26 0.00 0.00 57.72 57.12 1esj n HIS -7 Cb 0.43 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 1esj n HIS -7 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1esj s HIS -6 N -1.54 -0.27 -0.02 4.41 5.65 -1.26 -4.83 115.29 117.43 1esj s HIS -6 Ca 0.31 0.45 -0.04 0.00 0.25 0.00 0.00 55.06 56.03 1esj s HIS -6 Cb 0.19 0.47 0.01 0.00 -1.18 0.00 0.00 32.58 32.07 1esj s HIS -6 CO 0.28 -0.26 0.10 -1.58 -0.65 0.00 0.00 174.74 172.63 1esj s HIS -5 N -1.17 -0.04 0.49 3.88 2.46 -1.26 -4.98 115.29 114.67 1esj s HIS -5 Ca 0.02 0.11 0.40 0.00 0.47 0.00 0.00 55.06 56.06 1esj s HIS -5 Cb -0.01 -0.00 2.06 0.00 -0.13 0.00 0.00 32.58 34.50 1esj s HIS -5 CO -0.01 -0.12 2.24 0.45 -2.47 0.00 0.00 174.74 174.83 1esj h HIS -4 N 5.48 0.00 0.00 3.88 3.86 -1.97 -1.11 115.15 125.28 1esj h HIS -4 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1esj h HIS -4 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1esj h HIS -4 CO 0.47 0.01 0.00 0.72 0.86 0.00 0.00 177.93 179.99 1esj n HIS -3 N -3.15 0.55 0.16 2.45 8.25 -1.26 -1.20 115.22 121.01 1esj n HIS -3 Ca -0.02 0.24 0.07 0.00 -0.26 0.00 0.00 57.72 57.75 1esj n HIS -3 Cb 0.15 -0.88 0.13 0.00 1.12 0.00 0.00 29.99 30.50 1esj n HIS -3 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1esj n HIS -2 N -2.02 0.30 0.00 4.41 -0.00 -0.42 -5.09 115.22 112.40 1esj n HIS -2 Ca 0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.47 1esj n HIS -2 Cb 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1esj n HIS -2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1esj n GLY -1 N 0.76 0.57 3.80 -1.41 0.00 -0.34 -5.03 105.19 103.54 1esj n GLY -1 Ca 0.11 -2.32 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1esj n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1esj s SER 0 N -1.38 6.15 0.30 1.61 0.01 -1.26 -4.06 113.70 115.07 1esj s SER 0 Ca 0.00 1.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.90 1esj s SER 0 Cb 0.00 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.55 1esj s SER 0 CO 0.00 -0.91 1.39 0.80 0.41 0.00 0.00 173.24 174.93 1esj n MET 1 N -1.22 2.20 -3.59 12.44 1.56 -1.26 -4.96 117.12 122.30 1esj n MET 1 Ca 0.09 0.78 -0.14 0.00 -0.27 0.00 0.00 57.70 58.16 1esj n MET 1 Cb 0.52 -2.43 -0.05 0.00 2.15 0.00 0.00 33.22 33.41 1esj n MET 1 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1esj n ASP 2 N 1.50 -0.53 -0.13 6.12 3.85 -1.26 -4.87 116.55 121.23 1esj n ASP 2 Ca 0.08 -2.56 -0.00 0.00 -0.71 0.00 0.00 54.79 51.60 1esj n ASP 2 Cb 0.34 1.23 0.26 0.00 -1.35 0.00 0.00 41.12 41.61 1esj n ASP 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1esj h ALA 3 N 1.77 1.41 0.18 2.12 0.00 -1.88 -1.39 119.26 121.47 1esj h ALA 3 Ca -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1esj h ALA 3 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1esj h ALA 3 CO 0.25 0.47 -0.08 0.37 0.00 0.00 0.00 179.25 180.25 1esj h GLN 4 N 0.81 -0.23 -0.37 0.00 4.15 -1.88 -0.57 115.11 117.02 1esj h GLN 4 Ca 0.20 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1esj h GLN 4 Cb 0.07 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1esj h GLN 4 CO -0.03 -0.09 -0.06 0.77 -1.93 0.00 0.00 178.83 177.49 1esj h SER 5 N -0.31 0.59 -0.42 -0.69 0.02 -1.85 -2.07 113.55 108.83 1esj h SER 5 Ca -0.02 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1esj h SER 5 Cb 0.24 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1esj h SER 5 CO 0.04 0.70 0.23 0.00 -1.14 0.00 0.00 176.83 176.66 1esj h ALA 6 N 1.36 0.53 -0.65 3.77 0.00 -1.03 -1.76 119.26 121.49 1esj h ALA 6 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1esj h ALA 6 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1esj h ALA 6 CO 0.02 0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.69 1esj h ALA 7 N 1.08 1.40 -0.77 0.00 0.00 -0.76 -2.09 119.26 118.12 1esj h ALA 7 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1esj h ALA 7 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1esj h ALA 7 CO -0.02 0.49 0.34 0.87 0.00 0.00 0.00 179.25 180.93 1esj h LYS 8 N 0.91 1.13 -0.67 0.00 1.79 -0.80 -2.19 116.57 116.74 1esj h LYS 8 Ca 0.23 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 1esj h LYS 8 Cb 0.02 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 1esj h LYS 8 CO -0.04 0.90 0.10 0.00 -1.08 0.00 0.00 179.45 179.34 1esj h LEU 10 N 1.04 0.37 -0.78 0.00 5.85 -0.99 -1.01 115.31 119.79 1esj h LEU 10 Ca 0.20 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1esj h LEU 10 Cb 0.45 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1esj h LEU 10 CO 0.01 0.26 0.48 0.74 -0.34 0.00 0.00 178.44 179.59 1esj h THR 11 N 0.49 1.07 -0.92 1.05 2.02 -1.08 -2.18 112.91 113.37 1esj h THR 11 Ca 0.21 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1esj h THR 11 Cb 0.11 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1esj h THR 11 CO -0.14 0.17 0.56 0.00 0.37 0.00 0.00 175.52 176.47 1esj h ALA 12 N 1.35 1.25 -0.17 6.16 0.00 -0.52 0.92 119.26 128.25 1esj h ALA 12 Ca 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1esj h ALA 12 Cb 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1esj h ALA 12 CO -0.14 0.65 0.10 0.28 0.00 0.00 0.00 179.25 180.14 1esj h VAL 13 N 1.27 1.09 -0.60 0.00 2.07 -0.62 -0.56 116.25 118.89 1esj h VAL 13 Ca 0.33 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1esj h VAL 13 Cb -0.06 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1esj h VAL 13 CO -0.06 0.08 0.35 0.03 0.02 0.00 0.00 177.57 177.99 1esj h ARG 14 N 0.19 0.83 -0.37 1.57 -0.00 -0.97 0.16 114.38 115.79 1esj h ARG 14 Ca 0.06 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 1esj h ARG 14 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 29.83 1esj h ARG 14 CO -0.01 0.62 0.19 -0.09 0.00 0.00 0.00 179.97 180.67 1esj h ARG 15 N 0.82 0.52 0.00 0.04 2.43 -0.55 -3.29 114.38 114.36 1esj h ARG 15 Ca 0.21 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1esj h ARG 15 Cb 0.01 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1esj h ARG 15 CO -0.04 0.45 -0.92 0.72 -1.51 0.00 0.00 179.97 178.68 1esj n HIS 16 N -4.73 0.05 -4.04 2.20 8.25 -0.24 -5.01 115.22 111.70 1esj n HIS 16 Ca -0.00 0.02 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1esj n HIS 16 Cb 0.10 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.05 1esj n HIS 16 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1esj n SER 17 N -1.63 -4.25 -4.70 0.41 2.88 0.54 -4.80 113.62 102.07 1esj n SER 17 Ca 0.04 -1.25 -0.41 0.00 -1.33 0.00 0.00 58.87 55.91 1esj n SER 17 Cb 0.36 -1.63 0.01 0.00 -0.75 0.00 0.00 64.21 62.20 1esj n SER 17 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1esj n PRO 18 N -4.66 1.96 -2.66 -1.46 -0.04 -1.26 -3.92 135.00 122.96 1esj n PRO 18 Ca -0.15 0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1esj n PRO 18 Cb 0.59 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1esj n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1esj s LEU 19 N -1.71 4.16 -0.27 1.53 1.43 -1.26 -0.36 118.68 122.20 1esj s LEU 19 Ca 0.61 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1esj s LEU 19 Cb -0.51 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.21 1esj s LEU 19 CO 0.58 -0.58 -0.05 -0.69 0.23 0.00 0.00 176.35 175.84 1esj s VAL 20 N 2.74 2.75 -0.38 -1.59 1.01 -0.27 -0.16 120.40 124.50 1esj s VAL 20 Ca 0.46 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1esj s VAL 20 Cb -0.16 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1esj s VAL 20 CO 0.11 0.04 0.78 -2.28 0.00 0.00 0.00 175.10 173.75 1esj s HIS 21 N 1.25 3.10 -0.16 5.22 2.46 -0.04 -1.71 115.29 125.41 1esj s HIS 21 Ca -0.04 0.49 -0.00 0.00 0.47 0.00 0.00 55.06 55.98 1esj s HIS 21 Cb -0.18 -3.43 -0.00 0.00 -0.13 0.00 0.00 32.58 28.83 1esj s HIS 21 CO -0.04 -0.77 -0.14 -1.12 -2.47 0.00 0.00 174.74 170.21 1esj s SER 22 N 1.88 3.79 -0.55 9.88 0.01 -0.61 0.57 113.70 128.68 1esj s SER 22 Ca 0.31 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 1esj s SER 22 Cb -0.13 -1.59 0.14 0.00 0.21 0.00 0.00 66.02 64.65 1esj s SER 22 CO 0.18 0.09 0.35 -0.63 0.41 0.00 0.00 173.24 173.64 1esj s ILE 23 N 0.82 3.50 0.49 1.44 1.01 0.10 -4.43 121.20 124.13 1esj s ILE 23 Ca -0.05 -2.71 0.02 0.00 0.00 0.00 0.00 60.65 57.92 1esj s ILE 23 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1esj s ILE 23 CO 0.00 -0.81 0.02 0.28 0.00 0.00 0.00 174.94 174.43 1esj s THR 24 N 0.29 1.14 0.60 2.92 -1.32 -1.26 -1.52 115.64 116.49 1esj s THR 24 Ca 0.14 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.45 1esj s THR 24 Cb -0.21 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 1esj s THR 24 CO -0.03 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.02 1esj s ASN 25 N -3.83 5.49 0.00 8.08 2.20 -1.25 -4.87 114.94 120.76 1esj s ASN 25 Ca 0.10 2.02 0.05 0.00 -0.94 0.00 0.00 52.86 54.09 1esj s ASN 25 Cb 0.02 -2.56 0.31 0.00 -2.00 0.00 0.00 41.25 37.03 1esj s ASN 25 CO 0.06 -1.37 1.02 -0.46 -2.94 0.00 0.00 177.10 173.41 1esj n ASN 26 N -1.91 0.00 0.04 3.54 0.23 -1.26 -2.22 115.26 113.67 1esj n ASN 26 Ca 0.10 -1.45 0.11 0.00 -0.53 0.00 0.00 54.58 52.82 1esj n ASN 26 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 1esj n ASN 26 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1esj n VAL 27 N -0.60 0.25 -0.30 3.53 0.31 -1.26 -4.50 118.33 115.75 1esj n VAL 27 Ca 0.04 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1esj n VAL 27 Cb 0.02 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1esj n VAL 27 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1esj n VAL 28 N -2.42 0.61 0.07 2.52 0.24 -0.94 -4.84 118.33 113.56 1esj n VAL 28 Ca -0.02 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1esj n VAL 28 Cb 0.56 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 1esj n VAL 28 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1esj h THR 29 N 0.82 0.74 -0.28 3.34 1.35 -1.73 -0.19 112.91 116.96 1esj h THR 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1esj h THR 29 Cb 0.58 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1esj h THR 29 CO 0.00 0.00 0.19 -1.13 -0.25 0.00 0.00 175.52 174.33 1esj h ASN 30 N -0.20 0.33 -0.58 5.36 -0.73 -1.91 -1.45 115.58 116.40 1esj h ASN 30 Ca 0.03 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.13 1esj h ASN 30 Cb 0.23 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 1esj h ASN 30 CO -0.08 0.24 0.17 0.15 -0.37 0.00 0.00 177.43 177.54 1esj h PHE 31 N 0.39 0.98 0.07 0.67 3.57 -1.86 -1.15 116.94 119.60 1esj h PHE 31 Ca 0.10 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1esj h PHE 31 Cb -0.04 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1esj h PHE 31 CO -0.06 0.80 -0.03 1.15 -2.23 0.00 0.00 178.31 177.94 1esj h THR 32 N 0.92 0.99 -0.46 4.41 2.02 -0.76 0.54 112.91 120.57 1esj h THR 32 Ca 0.20 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1esj h THR 32 Cb 0.29 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1esj h THR 32 CO -0.00 0.05 0.30 0.00 0.37 0.00 0.00 175.52 176.23 1esj h ALA 33 N 0.76 0.58 -0.49 6.16 0.00 -1.04 -1.19 119.26 124.03 1esj h ALA 33 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1esj h ALA 33 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1esj h ALA 33 CO 0.02 0.02 -0.02 -0.91 0.00 0.00 0.00 179.25 178.35 1esj h ASN 34 N 0.61 0.81 -0.59 0.00 2.35 -1.08 -0.62 115.58 117.07 1esj h ASN 34 Ca 0.17 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1esj h ASN 34 Cb -0.06 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1esj h ASN 34 CO -0.04 0.89 0.12 1.23 -1.65 0.00 0.00 177.43 177.98 1esj h GLY 35 N 0.98 1.03 1.11 2.83 0.00 -0.57 0.11 103.07 108.56 1esj h GLY 35 Ca 0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1esj h GLY 35 CO 0.02 0.62 -0.18 1.41 0.00 0.00 0.00 176.54 178.41 1esj h LEU 36 N 0.86 1.04 -0.74 3.11 3.38 -0.98 -1.32 115.31 120.66 1esj h LEU 36 Ca 0.18 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1esj h LEU 36 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1esj h LEU 36 CO 0.01 1.19 0.15 -0.07 0.09 0.00 0.00 178.44 179.80 1esj h LEU 37 N 0.88 1.05 -0.32 1.67 3.38 -0.90 -0.06 115.31 121.01 1esj h LEU 37 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1esj h LEU 37 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1esj h LEU 37 CO 0.06 1.02 0.12 0.00 0.09 0.00 0.00 178.44 179.73 1esj h ALA 38 N 1.11 0.41 -0.73 1.53 0.00 -0.82 -2.89 119.26 117.88 1esj h ALA 38 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1esj h ALA 38 Cb 0.39 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1esj h ALA 38 CO 0.01 0.02 0.49 1.25 0.00 0.00 0.00 179.25 181.01 1esj h LEU 39 N 0.36 0.84 0.00 0.00 5.85 -0.97 -3.20 115.31 118.19 1esj h LEU 39 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1esj h LEU 39 Cb 0.20 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1esj h LEU 39 CO -0.01 0.61 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 1esj n GLY 40 N -1.42 0.83 3.94 3.75 0.00 -0.42 -4.66 105.19 107.20 1esj n GLY 40 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1esj n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1esj s ALA 41 N -1.81 2.87 -0.41 4.61 0.00 -0.17 -4.06 121.76 122.79 1esj s ALA 41 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1esj s ALA 41 Cb 0.00 -2.60 0.11 0.00 0.00 0.00 0.00 23.12 20.63 1esj s ALA 41 CO 0.00 -1.79 0.19 -1.12 0.00 0.00 0.00 175.76 173.04 1esj s SER 42 N -4.70 5.12 0.26 0.00 0.01 0.51 -4.10 113.70 110.81 1esj s SER 42 Ca 0.66 -2.13 -0.30 0.00 1.31 0.00 0.00 55.95 55.49 1esj s SER 42 Cb -0.07 -1.78 -0.09 0.00 0.21 0.00 0.00 66.02 64.28 1esj s SER 42 CO 0.48 -0.49 1.04 -2.16 0.41 0.00 0.00 173.24 172.52 1esj s PRO 43 N 0.98 4.72 -0.05 12.44 0.04 -1.26 -1.11 135.00 150.75 1esj s PRO 43 Ca 0.10 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1esj s PRO 43 Cb -0.22 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1esj s PRO 43 CO -0.05 0.32 -0.08 0.14 0.04 0.00 0.00 177.00 177.37 1esj s VAL 44 N -1.09 0.79 -0.19 -0.36 -7.23 -0.69 -4.91 120.40 106.71 1esj s VAL 44 Ca 0.44 -0.27 0.14 0.00 -1.81 0.00 0.00 61.98 60.48 1esj s VAL 44 Cb -0.29 -0.77 0.40 0.00 0.56 0.00 0.00 36.38 36.28 1esj s VAL 44 CO 0.37 0.28 1.26 0.23 -0.31 0.00 0.00 175.10 176.94 1esj n MET 45 N 3.99 1.68 -1.73 4.82 2.81 -1.26 -1.57 117.12 125.86 1esj n MET 45 Ca -0.24 -2.98 -0.42 0.00 -1.81 0.00 0.00 57.70 52.25 1esj n MET 45 Cb 0.51 -1.64 -0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1esj n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1esj n ALA 46 N -1.16 1.69 0.00 3.04 0.00 -1.26 -4.88 120.51 117.93 1esj n ALA 46 Ca 0.21 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1esj n ALA 46 Cb 0.76 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1esj n ALA 46 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1esj n TYR 47 N 0.36 0.00 -2.70 0.00 0.18 -1.26 -4.66 117.16 109.07 1esj n TYR 47 Ca 0.03 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.46 1esj n TYR 47 Cb 0.37 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.27 1esj n TYR 47 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1esj s ALA 48 N -0.34 3.11 -0.22 -3.48 0.00 -1.26 -4.83 121.76 114.74 1esj s ALA 48 Ca 0.00 0.56 0.25 0.00 0.00 0.00 0.00 51.96 52.76 1esj s ALA 48 Cb 0.00 -3.21 1.21 0.00 0.00 0.00 0.00 23.12 21.12 1esj s ALA 48 CO 0.00 0.02 1.75 1.57 0.00 0.00 0.00 175.76 179.09 1esj h LYS 49 N 2.58 0.00 0.00 0.00 2.10 -1.92 -1.16 116.57 118.17 1esj h LYS 49 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1esj h LYS 49 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1esj h LYS 49 CO 0.63 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.47 1esj n GLU 50 N -2.35 0.20 0.00 0.07 4.71 -1.26 -4.21 120.64 117.79 1esj n GLU 50 Ca -0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1esj n GLU 50 Cb 0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1esj n GLU 50 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1esj n GLU 51 N -1.35 0.00 -0.25 3.49 0.28 -0.64 -4.98 120.64 117.20 1esj n GLU 51 Ca 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.02 1esj n GLU 51 Cb 0.18 -0.09 0.09 0.00 1.43 0.00 0.00 31.44 33.04 1esj n GLU 51 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1esj h VAL 52 N 0.72 1.26 0.14 3.84 -1.51 -1.42 -2.81 116.25 116.46 1esj h VAL 52 Ca 0.00 -0.87 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 1esj h VAL 52 Cb 0.36 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1esj h VAL 52 CO 0.00 0.34 -0.07 0.00 -1.23 0.00 0.00 177.57 176.62 1esj h ALA 53 N 1.18 -0.19 0.00 5.19 0.00 -1.84 -0.53 119.26 123.07 1esj h ALA 53 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1esj h ALA 53 Cb 0.28 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1esj h ALA 53 CO -0.01 -0.56 -0.16 -0.44 0.00 0.00 0.00 179.25 178.08 1esj h ASP 54 N -0.28 0.00 0.12 0.00 3.45 -1.95 -1.86 116.42 115.90 1esj h ASP 54 Ca -0.02 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.25 1esj h ASP 54 Cb 0.23 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1esj h ASP 54 CO 0.03 0.16 -0.82 -0.03 -1.57 0.00 0.00 179.24 177.01 1esj h MET 55 N 0.00 0.34 -0.63 3.56 4.05 -1.24 -3.28 114.93 117.73 1esj h MET 55 Ca -0.00 -0.53 -0.03 0.00 -0.28 0.00 0.00 59.70 58.86 1esj h MET 55 Cb 0.35 0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1esj h MET 55 CO 0.02 1.23 0.28 0.00 0.23 0.00 0.00 176.91 178.67 1esj h ALA 56 N 0.13 1.31 -1.00 0.39 0.00 -0.96 -2.62 119.26 116.52 1esj h ALA 56 Ca -0.14 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.80 1esj h ALA 56 Cb 1.62 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1esj h ALA 56 CO 0.15 0.52 0.62 -0.22 0.00 0.00 0.00 179.25 180.33 1esj h LYS 57 N 0.89 0.80 -0.60 0.00 3.64 -1.41 -2.04 116.57 117.85 1esj h LYS 57 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1esj h LYS 57 Cb 0.13 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1esj h LYS 57 CO -0.02 0.53 0.00 0.44 -2.27 0.00 0.00 179.45 178.13 1esj n ILE 58 N -4.70 1.15 -2.40 2.00 -5.35 -1.01 -4.95 119.36 104.09 1esj n ILE 58 Ca 0.22 -1.05 -0.26 0.00 -0.27 0.00 0.00 62.75 61.38 1esj n ILE 58 Cb 0.50 0.43 0.03 0.00 -1.74 0.00 0.00 39.64 38.87 1esj n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1esj s ALA 59 N -1.16 3.31 -0.11 -1.28 0.00 -0.77 -4.94 121.76 116.81 1esj s ALA 59 Ca 0.42 -0.73 0.16 0.00 0.00 0.00 0.00 51.96 51.80 1esj s ALA 59 Cb 0.23 -2.58 -0.10 0.00 0.00 0.00 0.00 23.12 20.66 1esj s ALA 59 CO 0.26 -0.83 0.97 0.78 0.00 0.00 0.00 175.76 176.95 1esj h GLY 60 N -0.19 0.00 -3.65 0.00 0.00 -0.86 -3.47 103.07 94.90 1esj h GLY 60 Ca -0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1esj h GLY 60 CO 0.60 0.00 0.21 0.00 0.00 0.00 0.00 176.54 177.35 1esj s ALA 61 N -2.90 -1.71 -0.09 3.60 0.00 -1.12 -4.25 121.76 115.28 1esj s ALA 61 Ca -0.01 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.02 1esj s ALA 61 Cb 0.08 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1esj s ALA 61 CO 0.80 -0.51 -0.22 -1.17 0.00 0.00 0.00 175.76 174.66 1esj s LEU 62 N -1.75 2.01 -0.11 0.00 2.96 -0.23 -0.86 118.68 120.70 1esj s LEU 62 Ca -0.06 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1esj s LEU 62 Cb -0.00 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.41 1esj s LEU 62 CO 0.02 0.15 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.30 1esj s VAL 63 N 0.30 1.86 -0.11 1.68 1.01 0.19 -0.43 120.40 124.90 1esj s VAL 63 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1esj s VAL 63 Cb -0.17 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1esj s VAL 63 CO 0.07 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.81 1esj s LEU 64 N 0.61 2.82 -0.05 3.92 1.43 0.32 -0.72 118.68 126.99 1esj s LEU 64 Ca -0.13 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1esj s LEU 64 Cb -0.17 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1esj s LEU 64 CO 0.04 0.23 0.02 0.21 0.23 0.00 0.00 176.35 177.07 1esj s ASN 65 N -0.00 1.22 -0.23 2.29 3.84 -0.58 -0.24 114.94 121.24 1esj s ASN 65 Ca -0.03 -0.02 0.07 0.00 0.21 0.00 0.00 52.86 53.08 1esj s ASN 65 Cb -0.14 -0.31 0.53 0.00 -0.55 0.00 0.00 41.25 40.78 1esj s ASN 65 CO 0.04 -0.19 1.48 2.30 -2.79 0.00 0.00 177.10 177.94 1esj n ILE 66 N 4.98 2.18 -0.33 -5.21 -5.35 -1.14 -3.82 119.36 110.66 1esj n ILE 66 Ca -0.10 -1.12 0.13 0.00 -0.27 0.00 0.00 62.75 61.39 1esj n ILE 66 Cb 0.50 -0.46 0.31 0.00 -1.74 0.00 0.00 39.64 38.25 1esj n ILE 66 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1esj h GLY 67 N 3.36 1.70 -4.84 3.28 0.00 -1.84 -2.90 103.07 101.83 1esj h GLY 67 Ca 0.18 -0.31 -0.43 0.00 0.00 0.00 0.00 47.33 46.77 1esj h GLY 67 CO 0.52 -0.12 -1.04 -1.30 0.00 0.00 0.00 176.54 174.60 1esj n THR 68 N -4.85 1.46 -0.90 4.70 -2.24 -1.26 -5.00 114.28 106.20 1esj n THR 68 Ca 0.23 -3.67 -0.32 0.00 -2.27 0.00 0.00 64.05 58.02 1esj n THR 68 Cb 0.59 0.03 0.15 0.00 -2.10 0.00 0.00 70.33 69.00 1esj n THR 68 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1esj s LEU 69 N -3.28 2.97 0.15 3.22 2.34 -1.09 -4.85 118.68 118.13 1esj s LEU 69 Ca 0.34 2.21 -0.06 0.00 0.06 0.00 0.00 54.13 56.68 1esj s LEU 69 Cb 0.44 -4.57 -0.02 0.00 -0.56 0.00 0.00 46.19 41.48 1esj s LEU 69 CO -0.04 -2.85 0.19 -0.94 -1.06 0.00 0.00 176.35 171.65 1esj s SER 70 N -2.57 0.16 0.26 1.48 1.04 -1.26 -5.00 113.70 107.80 1esj s SER 70 Ca 0.68 -0.99 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 1esj s SER 70 Cb -0.24 0.37 0.36 0.00 0.10 0.00 0.00 66.02 66.62 1esj s SER 70 CO 0.55 -0.82 1.90 0.50 0.98 0.00 0.00 173.24 176.35 1esj h LYS 71 N 2.69 1.21 -0.34 4.02 1.63 -2.00 -1.64 116.57 122.14 1esj h LYS 71 Ca -0.33 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.36 1esj h LYS 71 Cb 1.21 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1esj h LYS 71 CO 0.53 0.80 0.06 0.93 -3.45 0.00 0.00 179.45 178.31 1esj h GLU 72 N 1.24 0.56 -0.10 1.90 3.07 -2.00 -2.57 114.58 116.68 1esj h GLU 72 Ca 0.41 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1esj h GLU 72 Cb 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1esj h GLU 72 CO -0.14 0.64 -0.54 0.66 -1.40 0.00 0.00 179.01 178.24 1esj h SER 73 N 0.40 0.33 -0.33 1.42 4.64 -1.84 -1.52 113.55 116.64 1esj h SER 73 Ca 0.10 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1esj h SER 73 Cb 0.35 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1esj h SER 73 CO 0.01 0.80 -0.03 0.58 -0.87 0.00 0.00 176.83 177.32 1esj h VAL 74 N 0.23 1.24 -0.43 0.95 2.07 -1.29 0.17 116.25 119.19 1esj h VAL 74 Ca 0.00 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 1esj h VAL 74 Cb 1.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1esj h VAL 74 CO 0.09 0.34 -0.18 -0.33 0.02 0.00 0.00 177.57 177.51 1esj h GLU 75 N 0.66 0.87 -0.72 1.57 5.08 -1.18 -1.96 114.58 118.91 1esj h GLU 75 Ca 0.13 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1esj h GLU 75 Cb 0.46 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1esj h GLU 75 CO 0.02 1.01 0.18 0.00 -1.00 0.00 0.00 179.01 179.23 1esj h ALA 76 N 0.84 0.94 -0.80 3.43 0.00 -0.80 -0.94 119.26 121.92 1esj h ALA 76 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1esj h ALA 76 Cb 0.74 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1esj h ALA 76 CO 0.06 0.66 0.38 0.52 0.00 0.00 0.00 179.25 180.87 1esj h MET 77 N 1.08 1.15 -0.36 0.00 2.86 -0.50 -0.22 114.93 118.94 1esj h MET 77 Ca 0.23 -0.17 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1esj h MET 77 Cb 0.37 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1esj h MET 77 CO 0.00 0.89 -0.36 0.82 1.06 0.00 0.00 176.91 179.32 1esj h ILE 78 N 1.13 1.28 -0.66 -1.22 2.04 -1.03 0.22 117.51 119.28 1esj h ILE 78 Ca 0.27 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1esj h ILE 78 Cb 0.12 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1esj h ILE 78 CO -0.03 0.51 0.29 0.40 0.00 0.00 0.00 178.15 179.32 1esj h ILE 79 N 0.70 1.23 -0.32 -0.67 2.04 -0.91 -0.03 117.51 119.55 1esj h ILE 79 Ca 0.06 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1esj h ILE 79 Cb 0.93 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1esj h ILE 79 CO 0.09 0.27 0.04 0.00 0.00 0.00 0.00 178.15 178.55 1esj h ALA 80 N 1.13 0.43 -0.67 1.87 0.00 -0.81 -2.20 119.26 119.01 1esj h ALA 80 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1esj h ALA 80 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1esj h ALA 80 CO -0.02 0.13 0.33 0.78 0.00 0.00 0.00 179.25 180.47 1esj h GLY 81 N 0.36 1.04 1.31 0.00 0.00 -0.30 -0.72 103.07 104.76 1esj h GLY 81 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1esj h GLY 81 CO 0.01 0.49 0.05 0.50 0.00 0.00 0.00 176.54 177.58 1esj h LYS 82 N 0.94 0.85 -0.47 4.80 1.57 -0.91 -0.40 116.57 122.94 1esj h LYS 82 Ca 0.23 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1esj h LYS 82 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1esj h LYS 82 CO -0.03 0.82 0.02 1.03 -0.57 0.00 0.00 179.45 180.72 1esj h SER 83 N 0.80 0.80 -0.41 0.86 0.87 -1.05 -1.79 113.55 113.63 1esj h SER 83 Ca 0.16 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1esj h SER 83 Cb 0.41 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1esj h SER 83 CO 0.01 0.90 0.21 0.00 -0.53 0.00 0.00 176.83 177.42 1esj h ALA 84 N 0.93 0.52 -0.62 6.23 0.00 -0.81 -2.33 119.26 123.18 1esj h ALA 84 Ca 0.14 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1esj h ALA 84 Cb 0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1esj h ALA 84 CO 0.02 0.06 0.34 -0.91 0.00 0.00 0.00 179.25 178.76 1esj h ASN 85 N 0.52 0.51 0.18 0.00 2.35 -0.91 0.48 115.58 118.72 1esj h ASN 85 Ca 0.14 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1esj h ASN 85 Cb 0.08 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1esj h ASN 85 CO -0.02 0.34 -0.13 -0.08 -1.65 0.00 0.00 177.43 175.89 1esj h GLU 86 N 0.65 0.00 -0.40 0.81 4.57 -1.05 -2.80 114.58 116.36 1esj h GLU 86 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1esj h GLU 86 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1esj h GLU 86 CO -0.17 0.13 0.00 0.72 -1.18 0.00 0.00 179.01 178.51 1esj n HIS 87 N -4.14 0.98 -1.64 0.92 8.25 -0.60 -4.98 115.22 114.01 1esj n HIS 87 Ca -0.02 -0.69 -0.14 0.00 -0.26 0.00 0.00 57.72 56.61 1esj n HIS 87 Cb 0.21 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 1esj n HIS 87 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1esj n GLY 88 N 0.27 0.99 3.67 -1.41 0.00 -0.40 -4.99 105.19 103.32 1esj n GLY 88 Ca 0.20 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1esj n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1esj s VAL 89 N -2.56 5.05 0.33 1.61 1.01 0.02 -5.01 120.40 120.84 1esj s VAL 89 Ca 0.00 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.84 1esj s VAL 89 Cb 0.00 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1esj s VAL 89 CO 0.00 0.15 1.44 -2.16 0.00 0.00 0.00 175.10 174.53 1esj s PRO 90 N 1.71 4.21 -0.11 2.72 0.04 -1.26 -4.29 135.00 138.01 1esj s PRO 90 Ca 0.28 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.76 1esj s PRO 90 Cb -0.16 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1esj s PRO 90 CO 0.11 -0.43 -0.18 0.08 0.04 0.00 0.00 177.00 176.62 1esj s VAL 91 N -0.76 2.65 -0.06 -0.36 1.01 -1.26 -1.07 120.40 120.56 1esj s VAL 91 Ca 0.54 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1esj s VAL 91 Cb -0.44 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1esj s VAL 91 CO 0.55 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 175.38 1esj s ILE 92 N 0.29 2.74 -0.08 2.22 -1.09 0.43 -0.20 121.20 125.51 1esj s ILE 92 Ca -0.13 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 1esj s ILE 92 Cb -0.16 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1esj s ILE 92 CO 0.07 0.58 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.97 1esj s LEU 93 N -0.48 2.56 -0.39 2.97 2.96 -0.55 -0.53 118.68 125.22 1esj s LEU 93 Ca 0.06 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1esj s LEU 93 Cb -0.12 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 45.16 1esj s LEU 93 CO 0.01 0.26 0.12 -0.62 -1.32 0.00 0.00 176.35 174.81 1esj s ASP 94 N -0.24 4.78 -0.41 3.68 -1.08 0.66 -1.43 116.67 122.64 1esj s ASP 94 Ca 0.00 -2.31 -0.07 0.00 -0.52 0.00 0.00 52.55 49.65 1esj s ASP 94 Cb -0.13 -1.67 -0.22 0.00 -1.46 0.00 0.00 42.92 39.44 1esj s ASP 94 CO 0.03 -0.38 3.37 -0.81 0.52 0.00 0.00 175.17 177.90 1esj n PRO 95 N 4.08 2.37 -1.70 4.34 -0.04 -1.26 -2.86 135.00 139.93 1esj n PRO 95 Ca 0.03 -1.28 -0.58 0.00 -0.04 0.00 0.00 63.50 61.64 1esj n PRO 95 Cb 0.40 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1esj n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1esj n VAL 96 N 2.81 0.24 -1.00 0.52 0.31 -1.26 -0.87 118.33 119.08 1esj n VAL 96 Ca 0.51 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1esj n VAL 96 Cb 0.72 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1esj n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1esj n GLY 97 N 3.97 0.42 3.70 2.92 0.00 -1.26 -4.48 105.19 110.46 1esj n GLY 97 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1esj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1esj s ALA 98 N -1.86 3.80 0.00 4.61 0.00 -0.05 -0.66 121.76 127.59 1esj s ALA 98 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1esj s ALA 98 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1esj s ALA 98 CO 0.00 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1esj n GLY 99 N 4.18 2.71 0.14 0.00 0.00 -1.26 -4.07 105.19 106.88 1esj n GLY 99 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1esj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1esj h ALA 100 N 0.00 0.25 -2.95 4.61 0.00 -1.30 -3.45 119.26 116.43 1esj h ALA 100 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 1esj h ALA 100 Cb 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.54 1esj h ALA 100 CO 0.00 0.10 -0.74 0.95 0.00 0.00 0.00 179.25 179.56 1esj s THR 101 N -4.49 0.76 0.25 0.00 -4.23 -1.26 -5.06 115.64 101.62 1esj s THR 101 Ca -0.14 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1esj s THR 101 Cb 0.06 -1.04 0.25 0.00 1.34 0.00 0.00 72.50 73.11 1esj s THR 101 CO 0.75 -0.48 1.90 -0.65 -0.54 0.00 0.00 174.62 175.61 1esj h PRO 102 N 3.98 1.18 -0.86 3.99 0.11 -1.95 -2.55 132.00 135.90 1esj h PRO 102 Ca -0.37 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1esj h PRO 102 Cb 1.19 -0.27 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 1esj h PRO 102 CO 0.47 0.78 0.53 0.35 -0.21 0.00 0.00 178.00 179.92 1esj h PHE 103 N 1.22 0.97 -0.35 0.65 3.57 -1.98 0.82 116.94 121.84 1esj h PHE 103 Ca 0.39 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.77 1esj h PHE 103 Cb 0.00 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1esj h PHE 103 CO -0.01 0.47 -0.35 0.00 -2.23 0.00 0.00 178.31 176.19 1esj h ARG 104 N 0.94 0.85 -0.33 1.11 3.08 -1.79 -0.63 114.38 117.60 1esj h ARG 104 Ca 0.39 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1esj h ARG 104 Cb 0.23 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1esj h ARG 104 CO -0.19 1.09 0.16 1.15 -1.07 0.00 0.00 179.97 181.10 1esj h THR 105 N 0.64 1.16 -0.10 2.04 2.02 -1.04 -1.41 112.91 116.23 1esj h THR 105 Ca 0.05 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 1esj h THR 105 Cb 0.94 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1esj h THR 105 CO 0.09 0.17 -0.54 -0.33 0.37 0.00 0.00 175.52 175.28 1esj h GLU 106 N 0.40 0.28 -0.39 6.66 4.39 -0.82 -2.27 114.58 122.84 1esj h GLU 106 Ca 0.11 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1esj h GLU 106 Cb 0.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1esj h GLU 106 CO -0.01 0.75 -0.27 0.77 -1.16 0.00 0.00 179.01 179.09 1esj h SER 107 N 0.22 0.84 -0.55 1.42 0.02 -0.94 0.42 113.55 114.98 1esj h SER 107 Ca 0.00 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1esj h SER 107 Cb 1.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1esj h SER 107 CO 0.09 1.06 0.16 0.00 -1.14 0.00 0.00 176.83 177.00 1esj h ALA 108 N 1.00 0.72 -0.06 3.77 0.00 -1.13 -1.59 119.26 121.97 1esj h ALA 108 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1esj h ALA 108 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1esj h ALA 108 CO 0.07 0.40 -0.45 0.00 0.00 0.00 0.00 179.25 179.26 1esj h ARG 109 N 0.77 0.13 -0.39 0.00 3.08 -1.16 -2.24 114.38 114.57 1esj h ARG 109 Ca 0.18 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1esj h ARG 109 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1esj h ARG 109 CO -0.00 0.56 -0.12 0.22 -1.07 0.00 0.00 179.97 179.56 1esj h ASP 110 N 0.11 0.78 -0.54 7.04 -0.00 -0.60 -1.95 116.42 121.26 1esj h ASP 110 Ca 0.01 -0.37 -0.02 0.00 -0.00 0.00 0.00 57.03 56.64 1esj h ASP 110 Cb 0.85 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.94 1esj h ASP 110 CO 0.06 0.98 0.26 0.40 -0.00 0.00 0.00 179.24 180.95 1esj h ILE 111 N 0.58 1.20 -0.24 2.25 2.04 -1.09 -1.57 117.51 120.69 1esj h ILE 111 Ca 0.10 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1esj h ILE 111 Cb 0.65 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1esj h ILE 111 CO 0.04 0.22 -0.17 0.40 0.00 0.00 0.00 178.15 178.65 1esj h ILE 112 N 0.73 1.23 -0.00 -0.67 2.04 -1.32 0.33 117.51 119.85 1esj h ILE 112 Ca 0.19 -1.05 -0.15 0.00 1.00 0.00 0.00 64.86 64.84 1esj h ILE 112 Cb 0.11 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1esj h ILE 112 CO -0.02 0.33 -0.72 0.03 0.00 0.00 0.00 178.15 177.77 1esj h ARG 113 N 0.38 0.02 0.00 2.37 3.08 -1.00 -3.32 114.38 115.91 1esj h ARG 113 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1esj h ARG 113 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1esj h ARG 113 CO 0.03 0.73 -1.22 0.39 -1.07 0.00 0.00 179.97 178.83 1esj n GLU 114 N -3.69 0.27 -4.41 0.04 -0.58 -0.62 -4.95 120.64 106.70 1esj n GLU 114 Ca -0.01 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.46 1esj n GLU 114 Cb 0.71 -1.49 -0.16 0.00 -0.57 0.00 0.00 31.44 29.93 1esj n GLU 114 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1esj s VAL 115 N -3.09 0.85 -0.21 2.62 1.01 0.11 -4.68 120.40 117.01 1esj s VAL 115 Ca 0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1esj s VAL 115 Cb 0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1esj s VAL 115 CO 0.86 0.28 0.93 -0.13 0.00 0.00 0.00 175.10 177.05 1esj s ARG 116 N 0.53 4.26 -0.04 2.72 0.52 -1.26 -4.51 118.95 121.17 1esj s ARG 116 Ca -0.09 1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 56.27 1esj s ARG 116 Cb -0.13 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 1esj s ARG 116 CO 0.02 -0.51 0.09 -0.51 0.02 0.00 0.00 175.30 174.40 1esj s LEU 117 N 2.80 3.97 0.05 2.53 1.43 -1.26 -4.54 118.68 123.67 1esj s LEU 117 Ca 0.40 0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1esj s LEU 117 Cb -0.16 -2.20 -0.20 0.00 0.03 0.00 0.00 46.19 43.66 1esj s LEU 117 CO 0.09 0.31 0.99 0.00 0.23 0.00 0.00 176.35 177.96 1esj h ALA 118 N 4.38 0.58 -2.08 4.21 0.00 -0.95 -3.44 119.26 121.95 1esj h ALA 118 Ca -0.50 -1.12 0.01 0.00 0.00 0.00 0.00 54.91 53.29 1esj h ALA 118 Cb 1.19 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 1esj h ALA 118 CO 0.61 1.34 0.34 0.00 0.00 0.00 0.00 179.25 181.54 1esj s ALA 119 N -2.69 -1.80 -0.04 0.00 0.00 -1.21 -2.77 121.76 113.25 1esj s ALA 119 Ca -0.02 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1esj s ALA 119 Cb 0.09 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1esj s ALA 119 CO 0.82 -0.47 -0.11 0.42 0.00 0.00 0.00 175.76 176.42 1esj s ILE 120 N -1.87 1.01 -0.08 0.00 1.01 -0.04 -1.48 121.20 119.75 1esj s ILE 120 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1esj s ILE 120 Cb -0.00 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1esj s ILE 120 CO 0.01 0.31 -0.08 -0.60 0.00 0.00 0.00 174.94 174.59 1esj s ARG 121 N 0.34 1.39 0.18 2.79 3.52 -0.51 -0.88 118.95 125.78 1esj s ARG 121 Ca -0.07 -0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.06 1esj s ARG 121 Cb -0.12 -1.35 0.08 0.00 -1.56 0.00 0.00 34.95 32.00 1esj s ARG 121 CO 0.02 -0.15 1.05 0.41 -0.81 0.00 0.00 175.30 175.82 1esj n GLY 122 N 4.46 0.58 3.90 8.12 0.00 -0.83 -3.99 105.19 117.44 1esj n GLY 122 Ca -0.17 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1esj n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1esj s ASN 123 N -3.48 4.73 0.27 1.61 2.20 -1.26 -0.97 114.94 118.05 1esj s ASN 123 Ca 0.23 0.75 0.00 0.00 -0.94 0.00 0.00 52.86 52.91 1esj s ASN 123 Cb -0.03 -1.34 0.61 0.00 -2.00 0.00 0.00 41.25 38.49 1esj s ASN 123 CO 0.06 -1.74 1.71 0.00 -2.94 0.00 0.00 177.10 174.19 1esj h ALA 124 N -0.87 1.26 -0.11 3.54 0.00 -1.92 -0.94 119.26 120.21 1esj h ALA 124 Ca -0.45 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1esj h ALA 124 Cb 1.31 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1esj h ALA 124 CO 0.64 -0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1esj h ALA 125 N 1.65 0.15 -0.84 0.00 0.00 -1.94 -0.24 119.26 118.04 1esj h ALA 125 Ca 0.50 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1esj h ALA 125 Cb 0.87 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1esj h ALA 125 CO -0.49 -0.18 0.55 0.93 0.00 0.00 0.00 179.25 180.07 1esj h GLU 126 N -0.07 1.07 -0.30 0.00 5.08 -1.53 0.12 114.58 118.95 1esj h GLU 126 Ca 0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1esj h GLU 126 Cb 0.33 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1esj h GLU 126 CO 0.00 0.71 -0.03 0.82 -1.00 0.00 0.00 179.01 179.51 1esj h ILE 127 N 1.11 1.27 -0.13 3.13 1.08 -1.12 0.60 117.51 123.45 1esj h ILE 127 Ca 0.32 -1.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.81 1esj h ILE 127 Cb -0.07 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1esj h ILE 127 CO -0.09 0.33 -0.07 0.00 -0.69 0.00 0.00 178.15 177.62 1esj h ALA 128 N 0.81 0.04 -0.54 1.87 0.00 -0.53 0.14 119.26 121.05 1esj h ALA 128 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1esj h ALA 128 Cb 0.49 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1esj h ALA 128 CO 0.02 -0.52 0.01 0.45 0.00 0.00 0.00 179.25 179.21 1esj h HIS 129 N -0.07 1.02 -0.72 0.00 3.86 -0.94 -0.33 115.15 117.98 1esj h HIS 129 Ca 0.08 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1esj h HIS 129 Cb 0.18 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1esj h HIS 129 CO -0.20 0.93 0.38 1.15 0.86 0.00 0.00 177.93 181.05 1esj h THR 130 N 0.82 1.22 -0.00 2.45 2.02 -0.44 -2.70 112.91 116.28 1esj h THR 130 Ca 0.15 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1esj h THR 130 Cb 0.52 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1esj h THR 130 CO 0.03 0.25 -0.11 1.33 0.37 0.00 0.00 175.52 177.38 1esj n VAL 131 N -4.46 0.00 -0.94 3.16 0.24 -0.00 -4.67 118.33 111.66 1esj n VAL 131 Ca 0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1esj n VAL 131 Cb 0.10 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1esj n VAL 131 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1esj n GLY 132 N 1.31 1.23 3.77 7.63 0.00 -0.90 -5.06 105.19 113.17 1esj n GLY 132 Ca 0.13 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1esj n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1esj s VAL 133 N -2.03 2.91 0.33 1.61 1.01 -0.18 -4.93 120.40 119.11 1esj s VAL 133 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 1esj s VAL 133 Cb 0.00 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 1esj s VAL 133 CO 0.00 0.14 1.46 0.41 0.00 0.00 0.00 175.10 177.11 1esj n THR 134 N 0.42 1.65 -0.02 3.92 -1.04 -1.26 -4.82 114.28 113.13 1esj n THR 134 Ca 0.02 -0.41 -0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1esj n THR 134 Cb 0.44 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1esj n THR 134 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1esj n ASP 135 N 1.14 -0.04 0.29 8.00 2.03 -1.26 -1.20 116.55 125.50 1esj n ASP 135 Ca 0.05 0.80 0.17 0.00 0.52 0.00 0.00 54.79 56.34 1esj n ASP 135 Cb 0.37 -0.38 0.88 0.00 -0.72 0.00 0.00 41.12 41.27 1esj n ASP 135 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1esj h TRP 136 N 0.00 0.00 0.00 -0.67 5.08 -2.04 -1.32 115.95 117.00 1esj h TRP 136 Ca 0.01 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.85 1esj h TRP 136 Cb 0.02 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.16 1esj h TRP 136 CO -0.73 0.00 -0.61 -0.07 -1.28 0.00 0.00 178.44 175.75 1esj h LEU 137 N 0.00 0.00 -1.11 0.11 3.38 -1.52 -3.30 115.31 112.87 1esj h LEU 137 Ca 0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.19 1esj h LEU 137 Cb 0.60 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1esj h LEU 137 CO -0.00 0.61 0.61 0.40 0.09 0.00 0.00 178.44 180.15 1esj h ILE 138 N 0.00 0.74 -1.59 1.22 1.08 -1.20 -1.66 117.51 116.10 1esj h ILE 138 Ca -0.01 -0.25 0.47 0.00 -0.39 0.00 0.00 64.86 64.68 1esj h ILE 138 Cb 1.29 -0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.91 1esj h ILE 138 CO 0.08 0.13 1.12 0.11 -0.69 0.00 0.00 178.15 178.91 1esj h LYS 139 N 0.73 0.03 -1.96 2.37 1.79 -1.74 -2.62 116.57 115.17 1esj h LYS 139 Ca 0.54 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1esj h LYS 139 Cb 0.88 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1esj h LYS 139 CO -0.32 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.48 1esj n GLY 140 N -1.79 0.87 0.00 3.86 0.00 -0.63 -1.58 105.19 105.93 1esj n GLY 140 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1esj n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1esj n VAL 141 N 1.69 0.00 -0.27 1.61 0.31 -0.99 -4.99 118.33 115.69 1esj n VAL 141 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1esj n VAL 141 Cb 0.12 -0.25 0.04 0.00 -0.91 0.00 0.00 33.84 32.84 1esj n VAL 141 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1esj n ASP 142 N -1.05 -1.85 -0.72 4.52 8.00 -0.61 -4.74 116.55 120.10 1esj n ASP 142 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1esj n ASP 142 Cb 0.13 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1esj n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1esj n ALA 143 N -3.39 0.00 -2.62 2.24 0.00 -1.26 -4.47 120.51 111.01 1esj n ALA 143 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1esj n ALA 143 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 1esj n ALA 143 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1esj s GLY 144 N -5.17 1.54 -0.28 0.00 0.00 -1.26 -4.99 107.32 97.17 1esj s GLY 144 Ca 0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 1esj s GLY 144 CO 0.00 1.85 0.83 1.85 0.00 0.00 0.00 173.10 177.63 1esj s GLU 145 N 3.47 0.68 -0.24 2.90 2.56 -1.26 -5.07 118.70 121.73 1esj s GLU 145 Ca 0.28 0.89 0.09 0.00 0.00 0.00 0.00 54.97 56.23 1esj s GLU 145 Cb -0.13 0.28 0.29 0.00 2.00 0.00 0.00 34.13 36.57 1esj s GLU 145 CO 0.20 -0.09 1.32 0.41 -0.56 0.00 0.00 175.26 176.53 1esj n GLY 146 N 2.92 1.44 0.00 -1.50 0.00 -1.26 -5.04 105.19 101.75 1esj n GLY 146 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1esj n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1esj n GLY 147 N -1.12 0.12 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.07 1esj n GLY 147 Ca -0.17 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1esj n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1esj n GLY 148 N 0.00 -0.03 0.12 -0.02 0.00 -1.26 -4.89 105.19 99.11 1esj n GLY 148 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1esj n GLY 148 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1esj n ASP 149 N 0.00 0.60 0.13 1.61 5.75 -1.26 -1.91 116.55 121.47 1esj n ASP 149 Ca 0.00 0.67 -0.01 0.00 -0.01 0.00 0.00 54.79 55.44 1esj n ASP 149 Cb 0.00 -0.79 0.13 0.00 -1.03 0.00 0.00 41.12 39.44 1esj n ASP 149 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1esj h ILE 150 N 0.00 1.36 -0.65 2.12 1.08 -1.94 -2.03 117.51 117.45 1esj h ILE 150 Ca 0.00 -2.28 -0.09 0.00 -0.39 0.00 0.00 64.86 62.11 1esj h ILE 150 Cb 0.30 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1esj h ILE 150 CO 0.00 0.63 0.06 0.40 -0.69 0.00 0.00 178.15 178.55 1esj h ILE 151 N 0.00 1.27 -0.25 -0.67 2.04 -1.78 -1.13 117.51 116.98 1esj h ILE 151 Ca -0.01 -1.10 -0.17 0.00 1.00 0.00 0.00 64.86 64.59 1esj h ILE 151 Cb 1.21 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1esj h ILE 151 CO 0.08 0.41 -0.51 0.03 0.00 0.00 0.00 178.15 178.16 1esj h ARG 152 N 1.02 0.78 -0.46 2.37 3.08 -1.60 -2.57 114.38 117.00 1esj h ARG 152 Ca 0.19 -0.51 0.03 0.00 0.07 0.00 0.00 59.98 59.76 1esj h ARG 152 Cb 0.50 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1esj h ARG 152 CO 0.02 1.14 0.26 1.25 -1.07 0.00 0.00 179.97 181.57 1esj h LEU 153 N 0.52 0.41 0.13 3.04 5.85 -1.18 0.25 115.31 124.34 1esj h LEU 153 Ca 0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1esj h LEU 153 Cb 1.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1esj h LEU 153 CO 0.11 0.29 -0.06 0.00 -0.34 0.00 0.00 178.44 178.44 1esj h ALA 154 N 1.22 -0.18 -0.35 1.25 0.00 -1.18 0.05 119.26 120.07 1esj h ALA 154 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1esj h ALA 154 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1esj h ALA 154 CO -0.10 -0.58 0.03 0.37 0.00 0.00 0.00 179.25 178.97 1esj h GLN 155 N -0.22 0.60 -0.50 0.00 4.15 -1.32 -1.13 115.11 116.69 1esj h GLN 155 Ca -0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1esj h GLN 155 Cb 0.17 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1esj h GLN 155 CO 0.03 0.70 0.22 1.96 -1.93 0.00 0.00 178.83 179.80 1esj h GLN 156 N 0.42 0.71 -0.18 1.69 4.20 -0.90 -0.39 115.11 120.66 1esj h GLN 156 Ca 0.10 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1esj h GLN 156 Cb 0.41 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1esj h GLN 156 CO 0.01 0.58 -0.62 0.00 -0.67 0.00 0.00 178.83 178.13 1esj h ALA 157 N 1.53 0.58 -0.37 3.87 0.00 -0.82 -1.90 119.26 122.14 1esj h ALA 157 Ca 0.17 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1esj h ALA 157 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1esj h ALA 157 CO -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 1esj h ALA 158 N 0.86 1.16 -0.23 0.00 0.00 -0.49 -1.72 119.26 118.83 1esj h ALA 158 Ca -0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1esj h ALA 158 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1esj h ALA 158 CO 0.12 0.54 -0.40 1.96 0.00 0.00 0.00 179.25 181.47 1esj h GLN 159 N 0.59 0.67 -0.64 0.00 4.20 -0.99 0.26 115.11 119.20 1esj h GLN 159 Ca 0.11 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 1esj h GLN 159 Cb 0.50 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1esj h GLN 159 CO 0.03 1.04 0.08 -0.22 -0.67 0.00 0.00 178.83 179.09 1esj h LYS 160 N 0.38 1.06 -0.56 1.46 3.64 -1.17 -3.10 116.57 118.27 1esj h LYS 160 Ca 0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1esj h LYS 160 Cb 1.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1esj h LYS 160 CO 0.09 0.98 0.00 1.28 -2.27 0.00 0.00 179.45 179.53 1esj n LEU 161 N -4.21 3.59 -4.07 5.20 4.77 -0.66 -4.99 117.00 116.63 1esj n LEU 161 Ca 0.04 -1.87 -0.46 0.00 -0.03 0.00 0.00 56.01 53.69 1esj n LEU 161 Cb 0.30 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1esj n LEU 161 CO 0.43 0.87 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.98 1esj n ASN 162 N 1.36 -4.16 -1.50 -1.43 5.15 0.85 -4.92 115.26 110.63 1esj n ASN 162 Ca 0.20 -1.29 -0.03 0.00 -0.60 0.00 0.00 54.58 52.86 1esj n ASN 162 Cb 0.57 -1.60 -0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1esj n ASN 162 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1esj n THR 163 N -4.93 0.00 -4.02 -0.44 5.66 -0.75 -4.93 114.28 104.88 1esj n THR 163 Ca -0.13 -0.41 -0.35 0.00 -3.05 0.00 0.00 64.05 60.12 1esj n THR 163 Cb 0.57 0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 69.53 1esj n THR 163 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1esj s VAL 164 N -2.59 4.77 -0.20 1.08 1.01 -1.11 -4.18 120.40 119.18 1esj s VAL 164 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1esj s VAL 164 Cb -0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1esj s VAL 164 CO 0.05 0.47 -0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1esj s ILE 165 N 0.29 2.92 -0.32 2.22 -1.09 0.03 -0.86 121.20 124.39 1esj s ILE 165 Ca 0.03 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1esj s ILE 165 Cb -0.12 -2.30 0.05 0.00 -1.58 0.00 0.00 42.46 38.51 1esj s ILE 165 CO 0.00 0.47 0.05 0.00 -1.23 0.00 0.00 174.94 174.23 1esj s ALA 166 N 1.37 2.92 -0.41 9.38 0.00 -0.06 -1.53 121.76 133.43 1esj s ALA 166 Ca 0.05 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.07 1esj s ALA 166 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1esj s ALA 166 CO -0.06 -1.31 0.40 0.42 0.00 0.00 0.00 175.76 175.21 1esj s ILE 167 N 1.31 5.13 0.42 0.00 1.01 0.76 -1.97 121.20 127.86 1esj s ILE 167 Ca -0.03 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 1esj s ILE 167 Cb -0.20 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 1esj s ILE 167 CO 0.00 -0.38 1.13 0.42 0.00 0.00 0.00 174.94 176.11 1esj s THR 168 N 2.02 3.33 0.00 2.92 -4.23 -0.14 -1.63 115.64 117.91 1esj s THR 168 Ca 0.10 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1esj s THR 168 Cb -0.17 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1esj s THR 168 CO 0.13 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1esj n GLY 169 N 0.48 -0.94 0.25 3.99 0.00 -1.26 -4.41 105.19 103.30 1esj n GLY 169 Ca 0.05 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.07 1esj n GLY 169 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1esj h GLU 170 N 0.00 0.33 -5.11 1.61 4.81 -1.95 -3.30 114.58 110.97 1esj h GLU 170 Ca 0.00 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.58 1esj h GLU 170 Cb 0.00 -0.07 -0.19 0.00 0.63 0.00 0.00 28.75 29.11 1esj h GLU 170 CO 0.00 0.22 -0.59 0.08 -0.73 0.00 0.00 179.01 177.99 1esj s VAL 171 N -6.07 4.59 0.06 0.32 1.01 -1.26 -4.56 120.40 114.50 1esj s VAL 171 Ca -0.13 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1esj s VAL 171 Cb 0.19 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1esj s VAL 171 CO 0.75 0.39 0.44 -1.81 0.00 0.00 0.00 175.10 174.87 1esj s ASP 172 N 1.03 6.75 -0.19 3.32 1.01 -0.07 -4.85 116.67 123.67 1esj s ASP 172 Ca 0.04 0.93 0.01 0.00 0.71 0.00 0.00 52.55 54.24 1esj s ASP 172 Cb -0.14 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.58 1esj s ASP 172 CO 0.03 0.22 -0.17 -0.69 0.21 0.00 0.00 175.17 174.77 1esj s VAL 173 N -1.28 2.23 0.01 -1.27 1.01 -0.64 0.29 120.40 120.75 1esj s VAL 173 Ca 0.30 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1esj s VAL 173 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1esj s VAL 173 CO 0.17 0.47 -0.18 -0.51 0.00 0.00 0.00 175.10 175.05 1esj s ILE 174 N 1.30 1.47 0.09 2.22 2.07 -0.06 -0.17 121.20 128.11 1esj s ILE 174 Ca 0.04 -0.95 -0.25 0.00 -1.41 0.00 0.00 60.65 58.08 1esj s ILE 174 Cb -0.14 -1.26 0.07 0.00 0.13 0.00 0.00 42.46 41.26 1esj s ILE 174 CO -0.11 0.29 0.60 0.00 -1.91 0.00 0.00 174.94 173.81 1esj s ALA 175 N -0.61 -1.58 0.00 1.50 0.00 -0.58 -0.47 121.76 120.02 1esj s ALA 175 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1esj s ALA 175 Cb -0.08 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1esj s ALA 175 CO 0.00 -0.63 0.00 -0.40 0.00 0.00 0.00 175.76 174.74 1esj n ASP 176 N 0.06 1.91 -0.08 0.00 5.68 -0.36 -0.79 116.55 122.97 1esj n ASP 176 Ca -0.18 -0.67 0.12 0.00 -0.50 0.00 0.00 54.79 53.57 1esj n ASP 176 Cb 0.62 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.10 1esj n ASP 176 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1esj h THR 177 N 0.63 0.90 -0.00 2.12 2.02 -1.79 -3.28 112.91 113.51 1esj h THR 177 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1esj h THR 177 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1esj h THR 177 CO 0.00 0.08 -0.00 -1.20 0.37 0.00 0.00 175.52 174.77 1esj n SER 178 N -4.47 0.42 -4.16 4.18 7.64 -1.26 -4.79 113.62 111.18 1esj n SER 178 Ca 0.10 -0.71 -0.18 0.00 1.01 0.00 0.00 58.87 59.08 1esj n SER 178 Cb 0.37 0.58 -0.12 0.00 -1.01 0.00 0.00 64.21 64.02 1esj n SER 178 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1esj s HIS 179 N -0.58 1.19 -0.00 1.43 3.76 -1.24 -4.95 115.29 114.89 1esj s HIS 179 Ca 0.00 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1esj s HIS 179 Cb 0.00 -0.67 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 1esj s HIS 179 CO 0.00 0.05 -0.04 0.08 -0.85 0.00 0.00 174.74 173.98 1esj s VAL 180 N -1.23 0.28 0.04 -0.90 1.01 -1.26 -1.22 120.40 117.12 1esj s VAL 180 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1esj s VAL 180 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1esj s VAL 180 CO 0.02 0.08 -0.04 -0.31 0.00 0.00 0.00 175.10 174.85 1esj s TYR 181 N -0.07 0.43 -0.01 5.22 1.51 0.38 -0.68 117.35 124.13 1esj s TYR 181 Ca 0.01 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1esj s TYR 181 Cb -0.02 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1esj s TYR 181 CO -0.00 -0.21 -0.21 0.95 -1.11 0.00 0.00 175.55 174.97 1esj s THR 182 N -2.12 2.50 -0.06 -0.71 -4.23 -0.36 -0.88 115.64 109.77 1esj s THR 182 Ca -0.08 -1.05 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1esj s THR 182 Cb -0.05 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1esj s THR 182 CO -0.03 0.51 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.59 1esj s LEU 183 N -0.88 2.31 -0.40 4.79 1.43 0.15 -1.98 118.68 124.09 1esj s LEU 183 Ca 0.11 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1esj s LEU 183 Cb -0.10 -1.44 0.43 0.00 0.03 0.00 0.00 46.19 45.11 1esj s LEU 183 CO 0.01 0.27 1.09 1.41 0.23 0.00 0.00 176.35 179.36 1esj n HIS 184 N 2.78 2.92 -4.65 0.29 8.25 -0.81 -0.89 115.22 123.10 1esj n HIS 184 Ca -0.17 -2.96 -0.29 0.00 -0.26 0.00 0.00 57.72 54.04 1esj n HIS 184 Cb 0.52 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 1esj n HIS 184 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1esj s ASN 185 N -3.48 3.77 0.00 0.41 0.01 -1.26 -4.74 114.94 109.65 1esj s ASN 185 Ca 0.44 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.09 1esj s ASN 185 Cb 0.41 0.04 0.00 0.00 0.41 0.00 0.00 41.25 42.11 1esj s ASN 185 CO -0.13 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 1esj n GLY 186 N -1.05 -1.07 3.30 0.66 0.00 -1.19 -4.88 105.19 100.96 1esj n GLY 186 Ca -0.10 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 1esj n GLY 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1esj s HIS 187 N -0.48 -0.30 0.21 1.61 2.46 -1.26 -4.60 115.29 112.92 1esj s HIS 187 Ca 0.00 0.52 0.34 0.00 0.47 0.00 0.00 55.06 56.40 1esj s HIS 187 Cb 0.00 0.16 1.74 0.00 -0.13 0.00 0.00 32.58 34.35 1esj s HIS 187 CO 0.00 -0.41 2.05 0.87 -2.47 0.00 0.00 174.74 174.78 1esj h LYS 188 N 3.90 0.00 0.00 2.88 1.57 -1.98 -2.51 116.57 120.43 1esj h LYS 188 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1esj h LYS 188 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1esj h LYS 188 CO 0.38 0.00 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.13 1esj h LEU 189 N 0.00 0.00 -2.27 2.94 3.38 -1.97 -1.38 115.31 116.01 1esj h LEU 189 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1esj h LEU 189 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1esj h LEU 189 CO 0.00 0.06 0.08 -0.07 0.09 0.00 0.00 178.44 178.60 1esj h LEU 190 N 0.00 0.00 0.00 1.67 3.38 -1.83 0.50 115.31 119.02 1esj h LEU 190 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1esj h LEU 190 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1esj h LEU 190 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1esj n THR 191 N -4.01 0.45 0.18 0.22 -2.24 -0.52 -2.75 114.28 105.61 1esj n THR 191 Ca -0.01 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 1esj n THR 191 Cb 0.18 -0.73 0.21 0.00 -2.10 0.00 0.00 70.33 67.89 1esj n THR 191 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1esj n LYS 192 N -1.47 2.42 -4.05 -0.78 4.76 0.16 -4.87 118.16 114.33 1esj n LYS 192 Ca 0.06 -2.22 -0.31 0.00 -2.87 0.00 0.00 58.31 52.97 1esj n LYS 192 Cb 0.25 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.81 1esj n LYS 192 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1esj s VAL 193 N -1.33 1.78 0.30 -0.18 1.01 -1.11 -4.94 120.40 115.93 1esj s VAL 193 Ca 0.36 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1esj s VAL 193 Cb 0.21 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 1esj s VAL 193 CO 0.29 0.36 1.33 0.28 0.00 0.00 0.00 175.10 177.35 1esj s THR 194 N 1.37 2.76 0.00 3.92 -1.32 -1.26 -2.10 115.64 119.01 1esj s THR 194 Ca 0.02 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 1esj s THR 194 Cb -0.14 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.39 1esj s THR 194 CO -0.10 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1esj n GLY 195 N 1.20 1.47 0.35 6.08 0.00 -1.26 -4.90 105.19 108.12 1esj n GLY 195 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1esj n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1esj h ALA 196 N 0.00 1.35 -0.03 4.61 0.00 -1.69 0.44 119.26 123.95 1esj h ALA 196 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1esj h ALA 196 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1esj h ALA 196 CO 0.00 0.29 -0.12 0.78 0.00 0.00 0.00 179.25 180.20 1esj h GLY 197 N 1.02 0.15 0.97 0.00 0.00 -1.86 -2.76 103.07 100.59 1esj h GLY 197 Ca 0.44 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.60 1esj h GLY 197 CO -0.21 0.18 0.61 1.76 0.00 0.00 0.00 176.54 178.88 1esj h SER 198 N -0.44 1.02 -0.56 0.19 0.02 -1.86 -1.82 113.55 110.09 1esj h SER 198 Ca -0.01 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1esj h SER 198 Cb 0.75 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1esj h SER 198 CO 0.02 0.70 0.18 0.25 -1.14 0.00 0.00 176.83 176.84 1esj h LEU 199 N 1.18 0.82 -0.80 5.07 5.85 -0.16 -2.44 115.31 124.84 1esj h LEU 199 Ca 0.37 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1esj h LEU 199 Cb -0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1esj h LEU 199 CO -0.11 0.81 0.51 0.25 -0.34 0.00 0.00 178.44 179.56 1esj h LEU 200 N 0.79 0.85 -0.84 2.25 5.85 -1.04 0.19 115.31 123.36 1esj h LEU 200 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1esj h LEU 200 Cb 0.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1esj h LEU 200 CO -0.01 0.59 0.47 0.74 -0.34 0.00 0.00 178.44 179.89 1esj h THR 201 N 1.00 1.25 -0.09 1.05 2.02 -1.13 0.16 112.91 117.16 1esj h THR 201 Ca 0.31 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1esj h THR 201 Cb -0.01 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1esj h THR 201 CO -0.11 0.27 -0.39 0.28 0.37 0.00 0.00 175.52 175.95 1esj h SER 202 N 1.17 0.19 -0.49 4.18 0.02 -0.87 -1.88 113.55 115.87 1esj h SER 202 Ca 0.30 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1esj h SER 202 Cb 0.02 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1esj h SER 202 CO -0.05 0.57 0.01 0.58 -1.14 0.00 0.00 176.83 176.80 1esj h VAL 203 N 0.16 1.25 -0.89 2.27 2.07 0.61 -1.01 116.25 120.71 1esj h VAL 203 Ca 0.02 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1esj h VAL 203 Cb 0.76 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1esj h VAL 203 CO 0.06 0.38 0.59 0.58 0.02 0.00 0.00 177.57 179.20 1esj h VAL 204 N 0.84 1.19 -0.41 2.57 2.07 -0.01 -1.67 116.25 120.83 1esj h VAL 204 Ca 0.16 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1esj h VAL 204 Cb 0.49 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1esj h VAL 204 CO 0.02 0.21 0.26 1.23 0.02 0.00 0.00 177.57 179.32 1esj h GLY 205 N 1.17 0.57 0.46 2.17 0.00 -0.48 -0.73 103.07 106.23 1esj h GLY 205 Ca 0.34 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.57 1esj h GLY 205 CO -0.09 0.20 0.46 0.00 0.00 0.00 0.00 176.54 177.10 1esj h ALA 206 N 1.16 1.18 -0.13 3.60 0.00 -0.35 -2.10 119.26 122.62 1esj h ALA 206 Ca 0.15 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1esj h ALA 206 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1esj h ALA 206 CO -0.04 0.05 -0.70 0.74 0.00 0.00 0.00 179.25 179.29 1esj h PHE 207 N 0.75 0.75 0.00 0.00 -1.00 -0.94 -2.95 116.94 113.55 1esj h PHE 207 Ca 0.41 -0.32 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1esj h PHE 207 Cb 0.42 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 1esj h PHE 207 CO -0.07 1.09 -0.04 0.00 -1.61 0.00 0.00 178.31 177.69 1esj h ALA 209 N 1.96 0.94 -0.00 0.00 0.00 -1.21 -3.32 119.26 117.63 1esj h ALA 209 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1esj h ALA 209 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1esj h ALA 209 CO 0.00 0.26 -0.16 1.33 0.00 0.00 0.00 179.25 180.69 1esj n VAL 210 N -3.26 0.00 -4.00 0.00 0.24 -0.61 -3.53 118.33 107.18 1esj n VAL 210 Ca 0.01 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 1esj n VAL 210 Cb 0.50 1.05 -0.17 0.00 -1.47 0.00 0.00 33.84 33.75 1esj n VAL 210 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1esj s GLU 211 N -1.13 2.16 0.31 7.34 2.56 -0.23 -2.08 118.70 127.63 1esj s GLU 211 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 54.97 54.50 1esj s GLU 211 Cb 0.04 -2.01 0.50 0.00 2.00 0.00 0.00 34.13 34.66 1esj s GLU 211 CO 0.17 -0.24 1.97 1.05 -0.56 0.00 0.00 175.26 177.65 1esj h GLU 212 N 8.07 1.02 -5.72 4.30 4.11 -1.04 -3.40 114.58 121.93 1esj h GLU 212 Ca -0.37 -0.06 -0.62 0.00 0.07 0.00 0.00 59.36 58.38 1esj h GLU 212 Cb 1.13 -0.23 -0.13 0.00 0.50 0.00 0.00 28.75 30.03 1esj h GLU 212 CO 0.51 0.67 0.32 1.21 0.07 0.00 0.00 179.01 181.79 1esj s ASN 213 N -6.31 6.45 0.63 3.06 3.84 -1.26 -4.92 114.94 116.42 1esj s ASN 213 Ca -0.11 0.07 0.37 0.00 0.21 0.00 0.00 52.86 53.39 1esj s ASN 213 Cb 0.18 -2.38 2.12 0.00 -0.55 0.00 0.00 41.25 40.62 1esj s ASN 213 CO 0.79 -0.80 2.31 1.55 -2.79 0.00 0.00 177.10 178.16 1esj h PRO 214 N 8.73 0.00 -0.18 0.43 0.13 -1.89 -0.07 132.00 139.15 1esj h PRO 214 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1esj h PRO 214 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1esj h PRO 214 CO 0.92 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.77 1esj h LEU 215 N 0.00 0.47 -0.38 1.56 5.85 -1.91 0.24 115.31 121.13 1esj h LEU 215 Ca 0.00 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1esj h LEU 215 Cb 0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1esj h LEU 215 CO -0.00 0.85 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.50 1esj h PHE 216 N 0.09 0.92 -0.12 1.25 0.05 -1.79 -1.76 116.94 115.57 1esj h PHE 216 Ca 0.03 -0.23 0.02 0.00 3.82 0.00 0.00 57.97 61.61 1esj h PHE 216 Cb 0.72 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.43 1esj h PHE 216 CO 0.08 0.97 -0.02 0.00 -0.18 0.00 0.00 178.31 179.17 1esj h ALA 217 N 0.80 0.09 -0.70 2.45 0.00 -0.99 0.28 119.26 121.19 1esj h ALA 217 Ca 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1esj h ALA 217 Cb 0.73 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1esj h ALA 217 CO 0.06 -0.47 0.20 0.00 0.00 0.00 0.00 179.25 179.03 1esj h ALA 218 N 1.11 1.02 -0.45 0.00 0.00 -0.89 -0.07 119.26 119.99 1esj h ALA 218 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1esj h ALA 218 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1esj h ALA 218 CO -0.11 0.65 0.13 0.82 0.00 0.00 0.00 179.25 180.74 1esj h ILE 219 N 1.05 1.23 -0.75 0.00 2.04 -0.98 -1.13 117.51 118.97 1esj h ILE 219 Ca 0.23 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1esj h ILE 219 Cb 0.32 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1esj h ILE 219 CO -0.00 0.27 0.24 0.00 0.00 0.00 0.00 178.15 178.66 1esj h ALA 220 N 0.99 1.00 0.18 1.87 0.00 -0.59 -1.71 119.26 121.01 1esj h ALA 220 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1esj h ALA 220 Cb 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1esj h ALA 220 CO -0.00 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 1esj h ALA 221 N 1.14 -0.24 -0.89 0.00 0.00 -0.80 -0.95 119.26 117.52 1esj h ALA 221 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1esj h ALA 221 Cb 0.30 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1esj h ALA 221 CO -0.01 -0.51 0.50 0.82 0.00 0.00 0.00 179.25 180.05 1esj h ILE 222 N -0.48 1.25 -0.06 0.00 2.04 -1.19 -0.36 117.51 118.71 1esj h ILE 222 Ca -0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1esj h ILE 222 Cb 0.37 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1esj h ILE 222 CO 0.04 0.28 -0.00 0.28 0.00 0.00 0.00 178.15 178.75 1esj h SER 223 N 1.23 0.11 -0.22 1.72 0.02 -1.29 -0.50 113.55 114.62 1esj h SER 223 Ca 0.31 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1esj h SER 223 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1esj h SER 223 CO -0.05 0.40 0.15 0.28 -1.14 0.00 0.00 176.83 176.47 1esj h SER 224 N -0.19 0.25 -0.62 3.07 0.02 -0.95 -0.01 113.55 115.12 1esj h SER 224 Ca 0.02 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1esj h SER 224 Cb 0.35 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1esj h SER 224 CO 0.00 0.18 0.41 0.22 -1.14 0.00 0.00 176.83 176.50 1esj h TYR 225 N 0.30 0.77 -0.59 3.45 3.20 -1.07 -0.97 116.97 122.06 1esj h TYR 225 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1esj h TYR 225 Cb -0.03 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1esj h TYR 225 CO -0.06 0.47 0.02 0.78 -1.64 0.00 0.00 178.16 177.73 1esj h GLY 226 N 0.82 1.10 0.98 1.82 0.00 -0.74 -0.37 103.07 106.68 1esj h GLY 226 Ca 0.23 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1esj h GLY 226 CO -0.06 0.74 0.24 -2.08 0.00 0.00 0.00 176.54 175.37 1esj h VAL 227 N 0.92 1.20 -0.80 4.60 2.07 -0.70 -0.18 116.25 123.35 1esj h VAL 227 Ca 0.17 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1esj h VAL 227 Cb 0.53 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1esj h VAL 227 CO 0.03 0.22 0.52 0.00 0.02 0.00 0.00 177.57 178.36 1esj h ALA 228 N 1.08 1.03 -0.85 1.67 0.00 -0.91 -1.44 119.26 119.85 1esj h ALA 228 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1esj h ALA 228 Cb 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1esj h ALA 228 CO -0.02 0.38 0.45 0.00 0.00 0.00 0.00 179.25 180.06 1esj h ALA 229 N 1.31 1.10 -0.43 0.00 0.00 -0.47 -0.21 119.26 120.57 1esj h ALA 229 Ca 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1esj h ALA 229 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1esj h ALA 229 CO -0.09 0.63 0.05 1.96 0.00 0.00 0.00 179.25 181.80 1esj h GLN 230 N 1.20 0.72 -0.38 0.00 4.20 -0.41 0.50 115.11 120.94 1esj h GLN 230 Ca 0.30 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1esj h GLN 230 Cb 0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1esj h GLN 230 CO -0.04 0.77 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.78 1esj h LEU 231 N 0.57 0.60 -0.36 1.46 3.38 -1.03 -1.14 115.31 118.78 1esj h LEU 231 Ca 0.13 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1esj h LEU 231 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1esj h LEU 231 CO 0.01 0.69 -0.18 0.00 0.09 0.00 0.00 178.44 179.05 1esj h ALA 232 N 1.38 0.51 -0.81 1.53 0.00 -0.76 -3.04 119.26 118.07 1esj h ALA 232 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1esj h ALA 232 Cb 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1esj h ALA 232 CO 0.02 0.45 0.40 0.00 0.00 0.00 0.00 179.25 180.12 1esj h ALA 233 N 0.79 1.18 -0.63 0.00 0.00 -0.49 -1.86 119.26 118.26 1esj h ALA 233 Ca 0.08 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1esj h ALA 233 Cb 0.73 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1esj h ALA 233 CO 0.05 0.63 0.28 1.96 0.00 0.00 0.00 179.25 182.18 1esj h GLN 234 N 1.15 0.48 0.00 0.00 1.08 -1.11 0.80 115.11 117.52 1esj h GLN 234 Ca 0.28 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.40 1esj h GLN 234 Cb 0.10 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1esj h GLN 234 CO -0.04 0.32 -0.38 0.37 -0.95 0.00 0.00 178.83 178.16 1esj h GLN 235 N 0.50 0.00 -0.05 1.46 4.15 -1.43 -3.38 115.11 116.36 1esj h GLN 235 Ca 0.31 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.57 1esj h GLN 235 Cb 0.33 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.70 1esj h GLN 235 CO -0.26 0.19 -0.95 0.25 -1.93 0.00 0.00 178.83 176.13 1esj n THR 236 N -3.08 0.54 0.20 2.39 -2.24 -0.72 -4.85 114.28 106.52 1esj n THR 236 Ca 0.02 -1.61 0.06 0.00 -2.27 0.00 0.00 64.05 60.25 1esj n THR 236 Cb 0.62 0.76 0.38 0.00 -2.10 0.00 0.00 70.33 70.00 1esj n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1esj h ALA 237 N 1.15 1.07 0.00 6.98 0.00 0.42 -3.22 119.26 125.66 1esj h ALA 237 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1esj h ALA 237 Cb 1.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1esj h ALA 237 CO 0.10 0.43 -1.80 -3.47 0.00 0.00 0.00 179.25 174.51 1esj n ASP 238 N -3.61 0.17 -0.08 0.00 2.03 -1.26 -4.42 116.55 109.37 1esj n ASP 238 Ca -0.01 0.05 -0.14 0.00 0.52 0.00 0.00 54.79 55.21 1esj n ASP 238 Cb 0.46 1.69 -0.05 0.00 -0.72 0.00 0.00 41.12 42.51 1esj n ASP 238 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1esj h LYS 239 N 0.00 0.77 0.00 -0.67 1.57 -1.90 -3.50 116.57 112.85 1esj h LYS 239 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1esj h LYS 239 Cb 0.99 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1esj h LYS 239 CO 0.00 1.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.38 1esj n GLY 240 N 0.30 2.47 0.28 3.86 0.00 -1.23 -4.85 105.19 106.02 1esj n GLY 240 Ca -0.04 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.20 1esj n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1esj h PRO 241 N 0.00 0.00 0.09 1.61 0.13 -1.92 -1.76 132.00 130.15 1esj h PRO 241 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1esj h PRO 241 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1esj h PRO 241 CO 0.00 0.06 -0.04 0.78 -0.23 0.00 0.00 178.00 178.57 1esj h GLY 242 N 0.46 -0.12 1.32 1.56 0.00 -1.92 -1.69 103.07 102.69 1esj h GLY 242 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1esj h GLY 242 CO 0.01 -0.04 0.05 1.76 0.00 0.00 0.00 176.54 178.32 1esj h SER 243 N -0.59 0.79 -0.65 0.19 0.02 -1.83 -2.69 113.55 108.79 1esj h SER 243 Ca -0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1esj h SER 243 Cb 0.48 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1esj h SER 243 CO 0.02 0.83 0.37 0.15 -1.14 0.00 0.00 176.83 177.06 1esj h PHE 244 N 0.79 0.88 -0.39 3.45 3.57 -1.33 0.14 116.94 124.05 1esj h PHE 244 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1esj h PHE 244 Cb 0.40 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1esj h PHE 244 CO 0.02 0.62 0.01 0.37 -2.23 0.00 0.00 178.31 177.10 1esj h GLN 245 N 0.89 0.11 -0.51 1.11 4.15 -0.97 0.30 115.11 120.18 1esj h GLN 245 Ca 0.23 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 1esj h GLN 245 Cb 0.02 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1esj h GLN 245 CO -0.04 0.07 -0.12 0.82 -1.93 0.00 0.00 178.83 177.64 1esj h ILE 246 N 0.12 1.27 -0.04 2.39 1.08 -1.30 -2.88 117.51 118.14 1esj h ILE 246 Ca 0.19 -1.26 -0.09 0.00 -0.39 0.00 0.00 64.86 63.32 1esj h ILE 246 Cb 0.27 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1esj h ILE 246 CO -0.31 0.44 -0.37 -0.08 -0.69 0.00 0.00 178.15 177.14 1esj h GLU 247 N 0.86 0.09 -0.40 2.37 4.57 0.07 -1.17 114.58 120.96 1esj h GLU 247 Ca 0.13 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1esj h GLU 247 Cb 0.67 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1esj h GLU 247 CO 0.05 0.45 0.12 1.25 -1.18 0.00 0.00 179.01 179.70 1esj h LEU 248 N 0.08 0.60 -0.55 1.64 5.85 -0.23 0.43 115.31 123.12 1esj h LEU 248 Ca 0.01 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1esj h LEU 248 Cb 0.69 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1esj h LEU 248 CO 0.05 0.65 0.26 -0.07 -0.34 0.00 0.00 178.44 178.99 1esj h LEU 249 N 0.51 0.72 0.01 2.25 3.38 -1.33 -1.36 115.31 119.48 1esj h LEU 249 Ca 0.13 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1esj h LEU 249 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1esj h LEU 249 CO -0.00 0.64 -0.10 0.78 0.09 0.00 0.00 178.44 179.85 1esj h ASN 250 N 0.74 -0.29 0.33 -0.43 2.35 -0.80 -2.86 115.58 114.62 1esj h ASN 250 Ca 0.19 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 1esj h ASN 250 Cb 0.12 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1esj h ASN 250 CO -0.02 -0.15 -0.18 0.11 -1.65 0.00 0.00 177.43 175.54 1esj h LYS 251 N -0.18 0.00 0.00 0.81 1.79 -0.67 -1.32 116.57 117.00 1esj h LYS 251 Ca 0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1esj h LYS 251 Cb 0.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1esj h LYS 251 CO -0.10 0.18 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.24 1esj h LEU 252 N 0.00 0.00 0.06 2.94 3.38 -1.02 0.21 115.31 120.88 1esj h LEU 252 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1esj h LEU 252 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1esj h LEU 252 CO 0.02 0.14 -1.80 0.77 0.09 0.00 0.00 178.44 177.67 1esj h SER 253 N 0.00 0.21 0.35 -0.43 4.64 -1.23 -3.32 113.55 113.76 1esj h SER 253 Ca -0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1esj h SER 253 Cb 0.44 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1esj h SER 253 CO 0.02 1.40 -0.78 0.35 -0.87 0.00 0.00 176.83 176.95 1esj n THR 254 N -3.27 0.05 -1.88 2.95 -2.24 -0.84 -4.94 114.28 104.11 1esj n THR 254 Ca -0.23 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1esj n THR 254 Cb 1.05 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1esj n THR 254 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1esj s VAL 255 N -3.05 2.24 0.40 2.28 0.11 0.71 -5.00 120.40 118.08 1esj s VAL 255 Ca 0.08 0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1esj s VAL 255 Cb 0.16 -3.15 -0.05 0.00 -1.53 0.00 0.00 36.38 31.81 1esj s VAL 255 CO 0.77 0.05 0.14 0.42 -3.33 0.00 0.00 175.10 173.16 1esj s THR 256 N -0.97 2.34 0.37 5.04 -4.23 -1.26 -5.01 115.64 111.93 1esj s THR 256 Ca 0.53 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1esj s THR 256 Cb -0.45 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.68 1esj s THR 256 CO 0.58 -0.03 2.02 -0.08 -0.54 0.00 0.00 174.62 176.57 1esj h GLU 257 N 1.51 0.72 -0.41 3.99 4.81 -1.94 -1.48 114.58 121.77 1esj h GLU 257 Ca -0.43 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 1esj h GLU 257 Cb 1.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1esj h GLU 257 CO 0.70 0.48 -0.17 1.96 -0.73 0.00 0.00 179.01 181.25 1esj h GLN 258 N 0.74 0.77 -0.55 1.92 7.50 -1.95 -1.03 115.11 122.52 1esj h GLN 258 Ca 0.22 -0.28 -0.07 0.00 0.50 0.00 0.00 58.65 59.02 1esj h GLN 258 Cb -0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 1esj h GLN 258 CO -0.05 0.89 0.09 -0.44 -1.50 0.00 0.00 178.83 177.82 1esj h ASP 259 N 0.69 0.88 -0.53 1.46 3.32 -1.68 -0.41 116.42 120.15 1esj h ASP 259 Ca 0.11 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1esj h ASP 259 Cb 0.67 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1esj h ASP 259 CO 0.05 0.92 -0.04 0.58 -1.72 0.00 0.00 179.24 179.03 1esj h VAL 260 N 0.81 1.26 -0.64 -1.35 2.07 -1.24 0.13 116.25 117.29 1esj h VAL 260 Ca 0.17 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1esj h VAL 260 Cb 0.41 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1esj h VAL 260 CO 0.01 0.42 0.31 1.56 0.02 0.00 0.00 177.57 179.89 1esj h GLN 261 N 0.90 0.91 0.05 1.57 4.20 -0.90 -1.15 115.11 120.69 1esj h GLN 261 Ca 0.16 -0.13 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 1esj h GLN 261 Cb 0.58 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1esj h GLN 261 CO 0.04 0.72 -1.04 1.49 -0.67 0.00 0.00 178.83 179.37 1esj h GLU 262 N 0.87 0.24 0.00 1.46 4.81 -0.79 -3.40 114.58 117.76 1esj h GLU 262 Ca 0.22 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1esj h GLU 262 Cb 0.11 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1esj h GLU 262 CO -0.03 1.08 -1.45 0.91 -0.73 0.00 0.00 179.01 178.80 1esj n TRP 263 N -3.59 0.00 -1.80 0.92 7.02 0.43 -5.00 117.44 115.41 1esj n TRP 263 Ca -0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.01 1esj n TRP 263 Cb 0.91 -0.24 -0.03 0.00 -2.42 0.00 0.00 31.31 29.53 1esj n TRP 263 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1esj s ALA 264 N -2.73 3.89 -0.35 6.99 0.00 -0.44 -4.96 121.76 124.16 1esj s ALA 264 Ca -0.04 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1esj s ALA 264 Cb 0.07 -3.67 0.10 0.00 0.00 0.00 0.00 23.12 19.62 1esj s ALA 264 CO 0.47 -0.88 0.07 0.99 0.00 0.00 0.00 175.76 176.41 1esj s THR 265 N 1.17 2.54 -0.13 0.00 2.01 -1.26 -4.76 115.64 115.21 1esj s THR 265 Ca 0.73 -2.16 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1esj s THR 265 Cb -0.48 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1esj s THR 265 CO 0.32 -0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.87 1esj s ILE 266 N 1.00 1.95 -0.11 1.82 1.01 -1.26 -1.93 121.20 123.68 1esj s ILE 266 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1esj s ILE 266 Cb -0.20 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1esj s ILE 266 CO -0.06 0.53 -0.15 -1.61 0.00 0.00 0.00 174.94 173.65 1esj s GLU 267 N 0.84 2.16 0.10 2.79 0.41 -0.84 -4.94 118.70 119.22 1esj s GLU 267 Ca -0.07 -0.54 -0.30 0.00 -0.41 0.00 0.00 54.97 53.65 1esj s GLU 267 Cb -0.15 -1.85 -0.06 0.00 -1.78 0.00 0.00 34.13 30.29 1esj s GLU 267 CO -0.02 -0.07 1.09 0.50 -0.49 0.00 0.00 175.26 176.28 1esj s ARG 268 N 1.00 4.55 -0.23 1.61 6.06 -1.26 -1.22 118.95 129.45 1esj s ARG 268 Ca -0.07 1.65 -0.11 0.00 -2.50 0.00 0.00 55.73 54.70 1esj s ARG 268 Cb -0.15 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 31.47 1esj s ARG 268 CO -0.02 -0.03 0.17 0.08 -2.50 0.00 0.00 175.30 173.01 1esj s VAL 269 N 0.39 5.36 -0.05 7.11 1.01 0.15 -4.93 120.40 129.44 1esj s VAL 269 Ca 0.52 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1esj s VAL 269 Cb -0.27 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1esj s VAL 269 CO 0.31 0.35 1.46 -0.89 0.00 0.00 0.00 175.10 176.33 1esj s THR 270 N 1.00 3.76 -0.24 3.92 2.01 -1.26 -4.42 115.64 120.41 1esj s THR 270 Ca 0.08 1.05 0.02 0.00 0.31 0.00 0.00 61.69 63.15 1esj s THR 270 Cb -0.13 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1esj s THR 270 CO 0.04 -0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.14 1esj s VAL 271 N 3.10 1.88 0.00 3.82 1.01 -1.26 -5.10 120.40 123.86 1esj s VAL 271 Ca 0.65 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1esj s VAL 271 Cb -0.30 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1esj s VAL 271 CO 0.25 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.82