#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3atj s GLN 1 N 0.00 4.45 0.41 2.12 0.74 -1.26 -4.93 119.66 121.19 3atj s GLN 1 Ca 0.00 0.99 -0.25 0.00 0.05 0.00 0.00 55.36 56.15 3atj s GLN 1 Cb 0.00 -3.31 -0.08 0.00 1.10 0.00 0.00 33.01 30.71 3atj s GLN 1 CO 0.00 0.43 1.20 -0.51 -0.55 0.00 0.00 175.29 175.86 3atj s LEU 2 N -0.52 4.17 -0.01 3.68 1.43 -1.26 -4.99 118.68 121.18 3atj s LEU 2 Ca 0.35 2.42 -0.01 0.00 -1.03 0.00 0.00 54.13 55.86 3atj s LEU 2 Cb -0.21 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.00 3atj s LEU 2 CO 0.22 -0.76 0.03 0.28 0.23 0.00 0.00 176.35 176.35 3atj s THR 3 N -1.39 -0.01 -1.04 5.49 -1.32 0.00 -4.69 115.64 112.68 3atj s THR 3 Ca 0.58 0.03 0.11 0.00 -1.21 0.00 0.00 61.69 61.20 3atj s THR 3 Cb -0.32 -0.06 0.10 0.00 -1.51 0.00 0.00 72.50 70.71 3atj s THR 3 CO 0.41 0.01 1.33 -0.81 -2.21 0.00 0.00 174.62 173.35 3atj n PRO 4 N 3.23 0.02 -0.07 7.08 -0.04 -1.26 -0.46 135.00 143.50 3atj n PRO 4 Ca -0.14 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 3atj n PRO 4 Cb 0.58 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.76 3atj n PRO 4 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3atj n THR 5 N -1.48 0.19 -0.34 0.52 -2.24 -1.26 -4.65 114.28 105.02 3atj n THR 5 Ca 0.03 -0.54 0.24 0.00 -2.27 0.00 0.00 64.05 61.51 3atj n THR 5 Cb 0.12 1.11 0.48 0.00 -2.10 0.00 0.00 70.33 69.94 3atj n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3atj h PHE 6 N 4.14 0.90 -0.47 4.78 3.57 -1.75 -1.27 116.94 126.84 3atj h PHE 6 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3atj h PHE 6 Cb 0.89 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3atj h PHE 6 CO 0.09 -0.15 0.00 0.66 -2.23 0.00 0.00 178.31 176.68 3atj n TYR 7 N -5.00 0.62 0.26 0.41 4.01 -1.26 -4.60 117.16 111.60 3atj n TYR 7 Ca 0.31 -0.49 0.18 0.00 -0.16 0.00 0.00 57.90 57.75 3atj n TYR 7 Cb 0.99 -0.02 0.92 0.00 -0.31 0.00 0.00 39.34 40.92 3atj n TYR 7 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3atj h ASP 8 N 2.79 0.00 0.00 7.72 3.32 -1.50 0.41 116.42 129.17 3atj h ASP 8 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3atj h ASP 8 Cb 0.81 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 3atj h ASP 8 CO 0.00 0.00 -1.91 0.59 -1.72 0.00 0.00 179.24 176.20 3atj n ASN 9 N -3.54 2.12 0.07 6.45 3.02 -1.26 -4.22 115.26 117.90 3atj n ASN 9 Ca -0.00 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.52 3atj n ASN 9 Cb 0.25 -0.35 0.08 0.00 -0.61 0.00 0.00 39.78 39.16 3atj n ASN 9 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3atj h SER 10 N -0.25 0.32 -0.24 6.41 4.64 -1.80 -3.40 113.55 119.23 3atj h SER 10 Ca -0.38 -0.20 -0.26 0.00 -0.47 0.00 0.00 61.79 60.48 3atj h SER 10 Cb 1.47 -0.09 -0.17 0.00 -0.31 0.00 0.00 62.40 63.30 3atj h SER 10 CO -0.14 0.89 -0.55 0.00 -0.87 0.00 0.00 176.83 176.15 3atj h PRO 12 N 3.71 0.00 -0.53 0.00 0.13 -1.52 -2.63 132.00 131.16 3atj h PRO 12 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3atj h PRO 12 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3atj h PRO 12 CO 0.30 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.36 3atj n ASN 13 N -3.20 3.77 -0.31 1.44 5.15 -1.26 -4.57 115.26 116.28 3atj n ASN 13 Ca 0.00 -2.21 0.05 0.00 -0.60 0.00 0.00 54.58 51.82 3atj n ASN 13 Cb 0.39 -0.42 0.25 0.00 -0.53 0.00 0.00 39.78 39.46 3atj n ASN 13 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3atj h VAL 14 N 3.18 1.05 -0.45 3.44 3.04 -1.84 -2.10 116.25 122.57 3atj h VAL 14 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3atj h VAL 14 Cb 1.05 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 3atj h VAL 14 CO 0.08 0.18 0.29 -1.28 -1.01 0.00 0.00 177.57 175.83 3atj h SER 15 N 1.01 0.52 -0.58 3.17 0.87 -1.84 -1.47 113.55 115.23 3atj h SER 15 Ca 0.40 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 3atj h SER 15 Cb 0.24 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3atj h SER 15 CO -0.16 0.39 -0.00 0.78 -0.53 0.00 0.00 176.83 177.31 3atj h ASN 16 N 0.61 1.01 -0.73 6.23 2.35 -1.76 -0.39 115.58 122.90 3atj h ASN 16 Ca 0.16 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 3atj h ASN 16 Cb -0.05 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 3atj h ASN 16 CO -0.03 1.07 0.26 0.40 -1.65 0.00 0.00 177.43 177.47 3atj h ILE 17 N 0.95 1.26 -0.12 2.81 2.04 -1.17 0.50 117.51 123.78 3atj h ILE 17 Ca 0.17 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3atj h ILE 17 Cb 0.55 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3atj h ILE 17 CO 0.03 0.34 -0.01 0.58 0.00 0.00 0.00 178.15 179.09 3atj h VAL 18 N 1.07 1.26 -0.40 1.67 2.07 -1.03 -2.51 116.25 118.38 3atj h VAL 18 Ca 0.24 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3atj h VAL 18 Cb 0.27 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3atj h VAL 18 CO -0.01 0.24 0.22 -0.09 0.02 0.00 0.00 177.57 177.95 3atj h ARG 19 N -0.07 0.43 -0.94 1.57 2.43 -0.82 -2.62 114.38 114.36 3atj h ARG 19 Ca 0.03 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3atj h ARG 19 Cb 0.38 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 3atj h ARG 19 CO 0.01 0.29 0.60 -0.44 -1.51 0.00 0.00 179.97 178.92 3atj h ASP 20 N 0.45 0.96 -0.39 -3.80 3.32 -0.87 -0.69 116.42 115.40 3atj h ASP 20 Ca 0.16 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3atj h ASP 20 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3atj h ASP 20 CO -0.09 0.62 0.14 0.74 -1.72 0.00 0.00 179.24 178.93 3atj h THR 21 N 1.10 1.20 -0.47 0.35 2.02 -1.10 -2.22 112.91 113.79 3atj h THR 21 Ca 0.40 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 3atj h THR 21 Cb 0.15 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3atj h THR 21 CO -0.17 0.22 -0.24 0.40 0.37 0.00 0.00 175.52 176.11 3atj h ILE 22 N 0.48 1.27 -0.37 3.11 2.04 -1.12 -1.88 117.51 121.04 3atj h ILE 22 Ca 0.13 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.62 3atj h ILE 22 Cb 0.21 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3atj h ILE 22 CO -0.01 0.49 0.14 0.58 0.00 0.00 0.00 178.15 179.35 3atj h VAL 23 N 0.85 0.91 -0.65 1.67 2.07 -1.02 0.26 116.25 120.35 3atj h VAL 23 Ca 0.10 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3atj h VAL 23 Cb 0.83 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3atj h VAL 23 CO 0.07 0.05 0.33 0.78 0.02 0.00 0.00 177.57 178.82 3atj h ASN 24 N 0.30 0.84 -0.34 0.57 2.35 -1.30 -2.98 115.58 115.02 3atj h ASN 24 Ca 0.16 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 3atj h ASN 24 Cb 0.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3atj h ASN 24 CO -0.16 0.72 -0.27 -0.08 -1.65 0.00 0.00 177.43 175.99 3atj h GLU 25 N 0.89 0.85 -0.64 0.81 4.57 -0.76 -2.94 114.58 117.35 3atj h GLU 25 Ca 0.22 -0.37 0.15 0.00 -1.18 0.00 0.00 59.36 58.18 3atj h GLU 25 Cb 0.09 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3atj h GLU 25 CO -0.03 1.01 0.44 -0.07 -1.18 0.00 0.00 179.01 179.19 3atj h LEU 26 N 0.72 0.20 -1.01 1.64 3.38 -0.34 0.27 115.31 120.17 3atj h LEU 26 Ca 0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3atj h LEU 26 Cb 0.82 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3atj h LEU 26 CO 0.07 0.11 0.66 0.03 0.09 0.00 0.00 178.44 179.39 3atj h ARG 27 N 0.22 1.22 0.00 1.13 3.08 -1.49 -2.90 114.38 115.64 3atj h ARG 27 Ca 0.31 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 3atj h ARG 27 Cb 0.92 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3atj h ARG 27 CO -0.06 0.81 -1.97 -1.13 -1.07 0.00 0.00 179.97 176.54 3atj n SER 28 N -4.45 0.15 -3.53 7.04 3.41 -0.41 -4.79 113.62 111.04 3atj n SER 28 Ca 0.14 0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.52 3atj n SER 28 Cb 0.11 1.43 -0.12 0.00 -0.26 0.00 0.00 64.21 65.37 3atj n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3atj s ASP 29 N -4.97 3.11 0.26 4.04 2.15 0.81 -4.99 116.67 117.08 3atj s ASP 29 Ca -0.07 -2.34 0.17 0.00 0.43 0.00 0.00 52.55 50.74 3atj s ASP 29 Cb 0.11 -0.58 0.94 0.00 -0.30 0.00 0.00 42.92 43.09 3atj s ASP 29 CO 0.87 -0.29 1.53 -0.81 -0.17 0.00 0.00 175.17 176.30 3atj n PRO 30 N 3.86 0.11 0.03 4.34 -0.04 -1.11 -2.11 135.00 140.08 3atj n PRO 30 Ca 0.12 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 3atj n PRO 30 Cb 0.37 -1.87 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 3atj n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3atj n ARG 31 N -2.11 0.20 -0.28 0.54 0.63 -1.26 -4.41 116.66 109.97 3atj n ARG 31 Ca -0.01 0.03 0.13 0.00 -0.92 0.00 0.00 57.85 57.08 3atj n ARG 31 Cb 0.03 -1.59 0.39 0.00 0.45 0.00 0.00 32.46 31.74 3atj n ARG 31 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 3atj h ILE 32 N 0.00 0.79 -0.54 5.15 6.09 -1.79 -1.71 117.51 125.50 3atj h ILE 32 Ca 0.00 -0.23 0.03 0.00 -1.37 0.00 0.00 64.86 63.29 3atj h ILE 32 Cb 0.67 0.07 -0.04 0.00 0.47 0.00 0.00 36.82 37.99 3atj h ILE 32 CO 0.00 0.12 0.32 0.00 -3.07 0.00 0.00 178.15 175.52 3atj h ALA 33 N 1.60 0.69 -0.39 0.18 0.00 -1.82 -0.41 119.26 119.11 3atj h ALA 33 Ca 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3atj h ALA 33 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3atj h ALA 33 CO -0.23 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.00 3atj h ALA 34 N 1.24 0.54 -0.87 0.00 0.00 -1.64 -2.64 119.26 115.89 3atj h ALA 34 Ca 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3atj h ALA 34 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3atj h ALA 34 CO -0.10 0.36 0.57 0.77 0.00 0.00 0.00 179.25 180.84 3atj h SER 35 N 0.54 1.00 -0.23 0.00 0.02 -0.91 -2.31 113.55 111.66 3atj h SER 35 Ca 0.11 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3atj h SER 35 Cb 0.54 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3atj h SER 35 CO 0.03 0.74 -0.04 0.40 -1.14 0.00 0.00 176.83 176.81 3atj h ILE 36 N 1.18 1.28 -0.98 3.27 2.04 -1.03 -1.89 117.51 121.38 3atj h ILE 36 Ca 0.32 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.24 3atj h ILE 36 Cb -0.12 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3atj h ILE 36 CO -0.07 0.32 0.63 0.25 0.00 0.00 0.00 178.15 179.28 3atj h LEU 37 N 0.18 0.98 -0.75 1.44 5.85 -1.32 -1.67 115.31 120.02 3atj h LEU 37 Ca 0.06 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3atj h LEU 37 Cb 0.49 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3atj h LEU 37 CO 0.02 0.60 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.50 3atj h ARG 38 N 1.10 0.82 -0.72 1.25 2.43 -1.21 -2.47 114.38 115.58 3atj h ARG 38 Ca 0.44 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3atj h ARG 38 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3atj h ARG 38 CO -0.19 0.91 0.35 -0.07 -1.51 0.00 0.00 179.97 179.45 3atj h LEU 39 N 0.73 0.92 -0.43 3.80 3.38 -0.49 -1.21 115.31 122.00 3atj h LEU 39 Ca 0.12 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3atj h LEU 39 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3atj h LEU 39 CO 0.04 0.77 0.00 -0.74 0.09 0.00 0.00 178.44 178.61 3atj h HIS 40 N 1.01 0.83 -0.40 1.13 2.76 -1.17 -1.50 115.15 117.81 3atj h HIS 40 Ca 0.25 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3atj h HIS 40 Cb 0.10 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3atj h HIS 40 CO 0.01 0.82 0.20 0.35 -1.30 0.00 0.00 177.93 178.00 3atj h PHE 41 N 0.60 0.57 0.00 5.26 3.57 -1.04 -1.06 116.94 124.84 3atj h PHE 41 Ca 0.12 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3atj h PHE 41 Cb 0.49 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3atj h PHE 41 CO 0.04 0.47 0.00 0.72 -2.23 0.00 0.00 178.31 177.31 3atj n HIS 42 N -4.70 0.85 -0.05 0.41 8.25 -0.49 -2.10 115.22 117.39 3atj n HIS 42 Ca 0.00 0.31 -0.07 0.00 -0.26 0.00 0.00 57.72 57.70 3atj n HIS 42 Cb 0.11 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.15 3atj n HIS 42 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3atj h ASP 43 N 0.00 -0.01 -0.47 0.41 3.58 -0.63 -3.36 116.42 115.94 3atj h ASP 43 Ca 0.00 -0.48 0.08 0.00 0.42 0.00 0.00 57.03 57.05 3atj h ASP 43 Cb 0.46 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 3atj h ASP 43 CO 0.00 0.72 0.32 0.00 -2.88 0.00 0.00 179.24 177.40 3atj n PHE 45 N -4.47 0.00 -3.92 0.00 3.01 -0.89 -2.64 117.46 108.55 3atj n PHE 45 Ca 0.07 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.22 3atj n PHE 45 Cb 0.32 -0.30 -0.15 0.00 -0.01 0.00 0.00 39.48 39.34 3atj n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3atj s VAL 46 N -2.59 1.85 -1.19 -4.37 1.01 -0.92 -4.73 120.40 109.46 3atj s VAL 46 Ca 0.26 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3atj s VAL 46 Cb 0.19 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3atj s VAL 46 CO 0.44 -0.64 0.00 -3.20 0.00 0.00 0.00 175.10 171.70 3atj n ASN 47 N 4.37 -4.77 0.00 3.32 5.15 -1.26 -4.78 115.26 117.28 3atj n ASN 47 Ca 0.02 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 3atj n ASN 47 Cb 0.41 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 3atj n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3atj n GLY 48 N -1.04 -0.78 3.57 8.20 0.00 -1.08 -4.65 105.19 109.41 3atj n GLY 48 Ca -0.11 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 3atj n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3atj n ASP 50 N 10.72 1.64 -1.60 0.00 5.75 -1.26 -4.71 116.55 127.09 3atj n ASP 50 Ca 0.41 -2.27 -0.19 0.00 -0.01 0.00 0.00 54.79 52.73 3atj n ASP 50 Cb 0.48 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 3atj n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3atj n ALA 51 N -0.72 -0.34 0.21 2.12 0.00 -1.26 -1.30 120.51 119.21 3atj n ALA 51 Ca 0.06 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.83 3atj n ALA 51 Cb 0.48 -1.96 0.45 0.00 0.00 0.00 0.00 19.45 18.41 3atj n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3atj h SER 52 N 0.00 0.00 0.79 0.00 4.64 -1.87 -2.35 113.55 114.76 3atj h SER 52 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3atj h SER 52 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3atj h SER 52 CO 0.57 0.29 0.00 -0.29 -0.87 0.00 0.00 176.83 176.53 3atj h ILE 53 N 0.00 0.00 0.00 0.95 2.10 -1.90 -2.93 117.51 115.73 3atj h ILE 53 Ca -0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.57 3atj h ILE 53 Cb 0.54 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 3atj h ILE 53 CO 0.04 0.00 -0.28 0.18 -1.08 0.00 0.00 178.15 177.00 3atj n LEU 54 N -2.83 0.54 -4.75 2.19 4.77 -0.89 -4.56 117.00 111.47 3atj n LEU 54 Ca 0.01 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 3atj n LEU 54 Cb 0.25 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3atj n LEU 54 CO 0.24 -0.04 0.88 -0.76 -1.33 0.00 0.00 177.39 176.37 3atj s LEU 55 N -3.81 4.48 0.55 2.23 1.43 -1.11 -4.06 118.68 118.39 3atj s LEU 55 Ca 0.10 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.46 3atj s LEU 55 Cb 0.15 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3atj s LEU 55 CO 0.64 -0.33 0.86 -1.81 0.23 0.00 0.00 176.35 175.93 3atj s ASP 56 N -0.24 5.82 0.48 2.29 1.01 -0.28 -4.51 116.67 121.25 3atj s ASP 56 Ca 0.50 0.77 -0.23 0.00 0.71 0.00 0.00 52.55 54.30 3atj s ASP 56 Cb -0.34 -1.88 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 3atj s ASP 56 CO 0.40 -0.89 1.25 -3.20 0.21 0.00 0.00 175.17 172.93 3atj n ASN 57 N -2.46 2.31 -3.57 0.27 5.15 -1.26 -4.67 115.26 111.03 3atj n ASN 57 Ca 0.03 1.03 -0.18 0.00 -0.60 0.00 0.00 54.58 54.86 3atj n ASN 57 Cb 0.57 -1.50 -0.09 0.00 -0.53 0.00 0.00 39.78 38.23 3atj n ASN 57 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3atj s THR 58 N -1.27 0.03 -1.19 -0.44 -4.23 -0.86 -4.97 115.64 102.72 3atj s THR 58 Ca 0.66 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 3atj s THR 58 Cb -0.47 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.13 3atj s THR 58 CO 0.54 0.00 1.80 0.35 -0.54 0.00 0.00 174.62 176.77 3atj n THR 59 N -0.56 0.00 -0.02 3.99 -2.24 -1.26 -3.62 114.28 110.56 3atj n THR 59 Ca 0.06 -0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 3atj n THR 59 Cb 0.63 -0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 68.47 3atj n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3atj n SER 60 N -1.36 0.02 -3.52 3.42 3.41 -1.26 -5.01 113.62 109.33 3atj n SER 60 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 3atj n SER 60 Cb 0.32 1.83 -0.06 0.00 -0.26 0.00 0.00 64.21 66.04 3atj n SER 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3atj s PHE 61 N -3.34 -0.63 0.21 7.33 -0.12 -1.24 -5.10 117.98 115.09 3atj s PHE 61 Ca -0.08 1.04 -0.15 0.00 -0.05 0.00 0.00 56.93 57.68 3atj s PHE 61 Cb 0.13 0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 42.86 3atj s PHE 61 CO 0.89 -0.61 0.63 1.03 -0.05 0.00 0.00 175.22 177.11 3atj s ARG 62 N -1.38 4.03 0.45 1.99 0.52 -1.26 -2.03 118.95 121.28 3atj s ARG 62 Ca -0.09 0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 55.48 3atj s ARG 62 Cb -0.00 -2.80 -0.08 0.00 0.52 0.00 0.00 34.95 32.59 3atj s ARG 62 CO 0.08 0.38 1.09 -0.08 0.02 0.00 0.00 175.30 176.79 3atj s THR 63 N -1.61 3.49 -0.95 0.02 -1.32 -1.26 -4.22 115.64 109.78 3atj s THR 63 Ca 0.43 1.05 0.22 0.00 -1.21 0.00 0.00 61.69 62.18 3atj s THR 63 Cb -0.14 -3.50 0.19 0.00 -1.51 0.00 0.00 72.50 67.54 3atj s THR 63 CO 0.20 -0.08 1.70 -0.62 -2.21 0.00 0.00 174.62 173.61 3atj n GLU 64 N -0.56 0.03 0.14 7.08 1.02 -1.26 -2.77 120.64 124.32 3atj n GLU 64 Ca 0.07 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 3atj n GLU 64 Cb 0.50 -1.54 0.53 0.00 -0.02 0.00 0.00 31.44 30.91 3atj n GLU 64 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3atj n LYS 65 N -1.59 0.18 0.00 3.49 5.02 -1.26 -1.55 118.16 122.46 3atj n LYS 65 Ca 0.05 0.50 0.12 0.00 -2.02 0.00 0.00 58.31 56.96 3atj n LYS 65 Cb 0.26 -1.91 0.21 0.00 -0.02 0.00 0.00 35.03 33.58 3atj n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3atj n ASP 66 N -2.26 0.99 -4.75 4.39 8.00 -1.11 -2.44 116.55 119.37 3atj n ASP 66 Ca 0.01 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.36 3atj n ASP 66 Cb 0.17 0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.65 3atj n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3atj s ALA 67 N -2.73 2.58 0.02 2.24 0.00 -0.59 -4.45 121.76 118.83 3atj s ALA 67 Ca 0.17 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3atj s ALA 67 Cb 0.18 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 3atj s ALA 67 CO 0.64 -1.26 1.74 0.12 0.00 0.00 0.00 175.76 177.00 3atj s PHE 68 N -1.49 1.96 0.00 0.00 5.36 -1.26 -0.39 117.98 122.15 3atj s PHE 68 Ca 0.77 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 3atj s PHE 68 Cb -0.34 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.31 3atj s PHE 68 CO 0.37 -4.35 0.00 0.41 -1.46 0.00 0.00 175.22 170.19 3atj n GLY 69 N 4.20 1.55 0.28 13.12 0.00 -1.26 -4.84 105.19 118.23 3atj n GLY 69 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3atj n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3atj n ASN 70 N 0.00 1.73 -4.64 1.61 3.02 0.33 -4.42 115.26 112.89 3atj n ASN 70 Ca 0.00 0.18 -0.51 0.00 -0.03 0.00 0.00 54.58 54.22 3atj n ASN 70 Cb 0.00 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 3atj n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3atj n ALA 71 N -3.77 -0.09 -4.10 5.41 0.00 0.48 -0.78 120.51 117.66 3atj n ALA 71 Ca -0.41 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3atj n ALA 71 Cb 0.82 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3atj n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3atj n ASN 72 N 3.56 -2.62 0.06 0.00 3.02 -1.26 -4.69 115.26 113.33 3atj n ASN 72 Ca 0.20 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3atj n ASN 72 Cb 0.21 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 3atj n ASN 72 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3atj n SER 73 N -2.78 -0.76 -4.77 6.41 2.88 -0.25 -5.10 113.62 109.24 3atj n SER 73 Ca -0.05 0.22 -0.38 0.00 -1.33 0.00 0.00 58.87 57.33 3atj n SER 73 Cb 0.56 0.94 -0.04 0.00 -0.75 0.00 0.00 64.21 64.92 3atj n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3atj s ALA 74 N -2.00 3.21 0.31 -1.46 0.00 0.04 -5.03 121.76 116.82 3atj s ALA 74 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 3atj s ALA 74 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3atj s ALA 74 CO 0.00 -0.26 0.56 -0.98 0.00 0.00 0.00 175.76 175.07 3atj s ARG 75 N -2.11 1.83 0.00 0.00 1.70 -1.26 -4.96 118.95 114.15 3atj s ARG 75 Ca 0.53 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 3atj s ARG 75 Cb -0.27 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 3atj s ARG 75 CO 0.34 -0.79 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 3atj n GLY 76 N -0.48 0.67 0.28 3.88 0.00 -1.26 -4.61 105.19 103.67 3atj n GLY 76 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3atj n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3atj h PHE 77 N 0.00 0.67 -0.09 1.61 0.04 -1.99 -1.32 116.94 115.86 3atj h PHE 77 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 3atj h PHE 77 Cb 0.00 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3atj h PHE 77 CO 0.00 0.23 -0.11 -1.35 -0.60 0.00 0.00 178.31 176.48 3atj h PRO 78 N 0.62 0.13 -0.46 1.51 0.11 -1.99 -1.50 132.00 130.42 3atj h PRO 78 Ca 0.37 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 3atj h PRO 78 Cb 0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3atj h PRO 78 CO -0.28 0.26 -0.19 0.28 -0.21 0.00 0.00 178.00 177.85 3atj h VAL 79 N 0.13 1.27 -0.52 3.15 2.07 -1.68 -1.41 116.25 119.25 3atj h VAL 79 Ca 0.03 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 3atj h VAL 79 Cb 0.28 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3atj h VAL 79 CO 0.02 0.45 0.06 0.40 0.02 0.00 0.00 177.57 178.52 3atj h ILE 80 N 0.79 1.24 -0.75 4.57 1.08 -0.83 -2.35 117.51 121.26 3atj h ILE 80 Ca 0.11 -0.94 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3atj h ILE 80 Cb 0.73 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 3atj h ILE 80 CO 0.06 0.34 0.46 0.44 -0.69 0.00 0.00 178.15 178.76 3atj h ASP 81 N 0.79 0.89 -0.38 1.72 3.32 -0.74 -2.32 116.42 119.69 3atj h ASP 81 Ca 0.16 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3atj h ASP 81 Cb 0.39 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3atj h ASP 81 CO 0.01 0.68 0.22 0.03 -1.72 0.00 0.00 179.24 178.46 3atj h ARG 82 N 1.02 0.52 -0.07 3.56 3.08 -0.76 -1.85 114.38 119.89 3atj h ARG 82 Ca 0.27 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3atj h ARG 82 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3atj h ARG 82 CO -0.05 0.41 -0.56 0.00 -1.07 0.00 0.00 179.97 178.70 3atj h MET 83 N 0.49 0.20 -0.60 0.04 -0.00 -1.36 -2.29 114.93 111.42 3atj h MET 83 Ca 0.14 -0.13 -0.06 0.00 -0.00 0.00 0.00 59.70 59.65 3atj h MET 83 Cb 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.62 3atj h MET 83 CO -0.02 0.71 0.16 -0.22 -0.00 0.00 0.00 176.91 177.53 3atj h LYS 84 N 0.16 0.96 -0.29 -0.10 1.63 -1.25 -0.50 116.57 117.17 3atj h LYS 84 Ca -0.00 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 3atj h LYS 84 Cb 1.04 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 3atj h LYS 84 CO 0.09 0.87 0.13 0.00 -3.45 0.00 0.00 179.45 177.09 3atj h ALA 85 N 1.04 0.38 -0.56 5.00 0.00 -1.21 0.10 119.26 124.02 3atj h ALA 85 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3atj h ALA 85 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3atj h ALA 85 CO 0.00 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.43 3atj h ALA 86 N 0.98 1.34 -0.09 0.00 0.00 -1.20 -2.13 119.26 118.16 3atj h ALA 86 Ca 0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 3atj h ALA 86 Cb 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3atj h ALA 86 CO -0.01 0.50 -0.88 0.28 0.00 0.00 0.00 179.25 179.13 3atj h VAL 87 N 0.80 1.29 0.00 0.00 2.07 -0.79 -2.94 116.25 116.68 3atj h VAL 87 Ca 0.19 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3atj h VAL 87 Cb 0.16 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3atj h VAL 87 CO -0.02 0.66 -0.12 -0.33 0.02 0.00 0.00 177.57 177.79 3atj h GLU 88 N 0.46 0.00 -0.20 1.57 4.39 -0.53 0.64 114.58 120.91 3atj h GLU 88 Ca -0.08 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 3atj h GLU 88 Cb 1.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 3atj h GLU 88 CO 0.17 0.12 -0.47 0.77 -1.16 0.00 0.00 179.01 178.44 3atj h SER 89 N 0.00 0.77 0.44 1.42 0.02 -1.30 -2.45 113.55 112.45 3atj h SER 89 Ca -0.00 -0.56 -0.31 0.00 -0.84 0.00 0.00 61.79 60.08 3atj h SER 89 Cb 0.23 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.56 3atj h SER 89 CO 0.01 1.19 -1.42 0.00 -1.14 0.00 0.00 176.83 175.48 3atj h ALA 90 N 0.60 0.04 -2.41 3.77 0.00 -1.22 -3.41 119.26 116.62 3atj h ALA 90 Ca -0.00 -0.94 -0.59 0.00 0.00 0.00 0.00 54.91 53.38 3atj h ALA 90 Cb 1.08 0.15 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 3atj h ALA 90 CO 0.10 0.91 -0.93 0.00 0.00 0.00 0.00 179.25 179.33 3atj n PRO 92 N 2.55 1.64 -4.30 0.00 -0.02 -0.92 -2.77 135.00 131.18 3atj n PRO 92 Ca 0.28 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 3atj n PRO 92 Cb 0.47 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 3atj n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3atj n ARG 93 N 1.57 -1.38 -0.00 -0.52 1.74 -1.26 -4.83 116.66 111.97 3atj n ARG 93 Ca 0.12 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3atj n ARG 93 Cb 0.30 -4.00 -0.00 0.00 -1.02 0.00 0.00 32.46 27.74 3atj n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3atj n THR 94 N -4.46 0.02 -3.54 0.55 -1.04 -1.11 -5.01 114.28 99.68 3atj n THR 94 Ca -0.23 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.40 3atj n THR 94 Cb 0.64 -1.48 -0.09 0.00 -1.82 0.00 0.00 70.33 67.59 3atj n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3atj s VAL 95 N -2.01 5.28 0.73 12.58 1.01 -1.26 -5.05 120.40 131.68 3atj s VAL 95 Ca -0.01 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3atj s VAL 95 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3atj s VAL 95 CO 0.01 0.29 1.08 -0.94 0.00 0.00 0.00 175.10 175.53 3atj s SER 96 N 1.18 4.96 0.24 3.32 1.04 -1.26 -4.81 113.70 118.37 3atj s SER 96 Ca 0.12 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.27 3atj s SER 96 Cb -0.14 -2.51 0.29 0.00 0.10 0.00 0.00 66.02 63.75 3atj s SER 96 CO 0.07 -1.73 1.63 0.00 0.98 0.00 0.00 173.24 174.19 3atj h ALA 98 N 1.18 0.82 -0.14 0.00 0.00 -1.86 0.23 119.26 119.49 3atj h ALA 98 Ca 0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 3atj h ALA 98 Cb 0.84 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3atj h ALA 98 CO 0.07 0.20 -0.78 -0.44 0.00 0.00 0.00 179.25 178.29 3atj h ASP 99 N 0.82 0.93 -0.26 0.00 3.32 -1.75 -2.85 116.42 116.62 3atj h ASP 99 Ca 0.24 -0.64 0.04 0.00 0.02 0.00 0.00 57.03 56.70 3atj h ASP 99 Cb -0.05 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 3atj h ASP 99 CO -0.07 1.42 0.03 0.25 -1.72 0.00 0.00 179.24 179.15 3atj h LEU 100 N 0.50 -0.03 -1.78 1.55 5.85 -0.89 -0.31 115.31 120.20 3atj h LEU 100 Ca -0.06 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3atj h LEU 100 Cb 1.42 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3atj h LEU 100 CO 0.16 0.02 -0.11 0.25 -0.34 0.00 0.00 178.44 178.41 3atj h LEU 101 N 0.12 0.00 -0.10 2.25 5.85 -0.99 0.28 115.31 122.73 3atj h LEU 101 Ca 0.12 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3atj h LEU 101 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3atj h LEU 101 CO -0.18 0.11 -0.28 0.74 -0.34 0.00 0.00 178.44 178.49 3atj h THR 102 N 0.00 1.40 -0.61 1.05 2.02 -1.00 -2.13 112.91 113.64 3atj h THR 102 Ca -0.00 -1.62 -0.10 0.00 0.77 0.00 0.00 66.41 65.46 3atj h THR 102 Cb 0.20 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3atj h THR 102 CO 0.01 0.47 0.00 0.40 0.37 0.00 0.00 175.52 176.78 3atj h ILE 103 N -0.09 1.26 -0.77 3.11 2.04 -0.78 -2.40 117.51 119.90 3atj h ILE 103 Ca -0.01 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3atj h ILE 103 Cb 0.90 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3atj h ILE 103 CO 0.06 0.42 0.46 0.00 0.00 0.00 0.00 178.15 179.09 3atj h ALA 104 N 1.01 1.37 -0.41 1.87 0.00 -0.95 -0.24 119.26 121.92 3atj h ALA 104 Ca 0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3atj h ALA 104 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3atj h ALA 104 CO 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 3atj h ALA 105 N 1.46 0.55 -0.15 0.00 0.00 -1.07 -1.09 119.26 118.96 3atj h ALA 105 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3atj h ALA 105 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3atj h ALA 105 CO -0.05 0.36 0.04 0.37 0.00 0.00 0.00 179.25 179.97 3atj h GLN 106 N 0.56 0.23 -0.53 0.00 -0.00 -0.98 -2.36 115.11 112.02 3atj h GLN 106 Ca 0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.69 3atj h GLN 106 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.94 3atj h GLN 106 CO 0.03 0.36 0.23 1.96 0.00 0.00 0.00 178.83 181.40 3atj h GLN 107 N 0.06 0.76 -0.62 1.69 1.08 -1.02 -1.43 115.11 115.63 3atj h GLN 107 Ca 0.05 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3atj h GLN 107 Cb 0.23 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3atj h GLN 107 CO -0.00 0.62 0.34 0.77 -0.95 0.00 0.00 178.83 179.61 3atj h SER 108 N 0.76 0.78 -0.34 1.46 0.02 -1.02 0.23 113.55 115.45 3atj h SER 108 Ca 0.18 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3atj h SER 108 Cb 0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3atj h SER 108 CO -0.02 0.66 0.04 0.58 -1.14 0.00 0.00 176.83 176.95 3atj h VAL 109 N 0.85 1.24 -0.20 2.27 2.07 -0.88 -2.26 116.25 119.34 3atj h VAL 109 Ca 0.22 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3atj h VAL 109 Cb 0.05 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3atj h VAL 109 CO -0.03 0.29 0.05 0.74 0.02 0.00 0.00 177.57 178.63 3atj h THR 110 N 0.39 1.20 0.00 2.57 2.02 -1.01 0.27 112.91 118.36 3atj h THR 110 Ca 0.10 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3atj h THR 110 Cb 0.38 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3atj h THR 110 CO 0.01 0.20 -0.03 -0.07 0.37 0.00 0.00 175.52 176.00 3atj h LEU 111 N 0.14 0.00 -1.42 2.58 3.38 -0.53 -0.66 115.31 118.80 3atj h LEU 111 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3atj h LEU 111 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3atj h LEU 111 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3atj n ALA 112 N -2.23 2.45 -0.06 1.53 0.00 -0.86 -4.88 120.51 116.47 3atj n ALA 112 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3atj n ALA 112 Cb 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3atj n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3atj n GLY 113 N 1.14 0.60 0.00 0.00 0.00 -0.26 0.01 105.19 106.67 3atj n GLY 113 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3atj n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3atj n GLY 114 N -2.01 -0.88 3.75 -0.02 0.00 0.92 -4.77 105.19 102.18 3atj n GLY 114 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 3atj n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3atj s PRO 115 N -2.60 1.73 -0.11 1.61 0.04 -1.26 -4.48 135.00 129.94 3atj s PRO 115 Ca 0.00 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.00 3atj s PRO 115 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3atj s PRO 115 CO 0.00 -1.94 -0.22 0.45 0.04 0.00 0.00 177.00 175.33 3atj s SER 116 N -3.47 2.99 0.18 6.66 0.15 -1.26 -3.83 113.70 115.11 3atj s SER 116 Ca 0.62 -0.55 -0.19 0.00 0.70 0.00 0.00 55.95 56.53 3atj s SER 116 Cb -0.17 -1.37 0.04 0.00 -1.71 0.00 0.00 66.02 62.80 3atj s SER 116 CO 0.56 0.12 0.53 -1.66 1.20 0.00 0.00 173.24 173.99 3atj s TRP 117 N 0.53 -0.23 -0.26 3.44 -2.14 -1.26 -5.14 118.94 113.87 3atj s TRP 117 Ca -0.15 -0.08 -0.16 0.00 2.66 0.00 0.00 56.10 58.37 3atj s TRP 117 Cb -0.17 0.42 -0.03 0.00 -3.10 0.00 0.00 33.47 30.59 3atj s TRP 117 CO 0.05 -0.88 0.43 1.03 -2.66 0.00 0.00 176.95 174.92 3atj s ARG 118 N -3.84 4.04 0.24 3.25 0.52 -1.26 -4.99 118.95 116.92 3atj s ARG 118 Ca 0.06 0.16 -0.27 0.00 -0.52 0.00 0.00 55.73 55.17 3atj s ARG 118 Cb -0.01 -3.65 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 3atj s ARG 118 CO -0.06 -0.30 0.88 0.14 0.02 0.00 0.00 175.30 175.98 3atj s VAL 119 N 2.14 4.24 0.38 3.52 -7.23 -1.26 -4.85 120.40 117.34 3atj s VAL 119 Ca 0.18 1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 61.91 3atj s VAL 119 Cb -0.16 -4.14 -0.10 0.00 0.56 0.00 0.00 36.38 32.55 3atj s VAL 119 CO 0.10 0.37 1.36 -2.84 -0.31 0.00 0.00 175.10 173.77 3atj s PRO 120 N -1.51 4.09 0.34 4.82 0.02 -1.26 -4.04 135.00 137.44 3atj s PRO 120 Ca 0.43 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.77 3atj s PRO 120 Cb -0.22 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3atj s PRO 120 CO 0.27 -0.44 0.09 -0.51 -0.33 0.00 0.00 177.00 176.08 3atj s LEU 121 N -2.20 2.01 0.00 -5.54 1.43 0.39 -4.75 118.68 110.02 3atj s LEU 121 Ca 0.54 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 3atj s LEU 121 Cb -0.41 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.60 3atj s LEU 121 CO 0.54 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3atj n GLY 122 N -0.71 1.05 3.83 -3.19 0.00 -1.26 -0.82 105.19 104.09 3atj n GLY 122 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3atj n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3atj s ARG 123 N 0.00 3.78 0.35 1.61 0.52 -1.26 -4.60 118.95 119.34 3atj s ARG 123 Ca 0.00 1.02 0.07 0.00 -0.52 0.00 0.00 55.73 56.30 3atj s ARG 123 Cb 0.00 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.29 3atj s ARG 123 CO 0.00 -0.41 -0.04 1.03 0.02 0.00 0.00 175.30 175.90 3atj s ARG 124 N -4.09 1.78 0.10 3.54 0.52 0.99 -4.49 118.95 117.29 3atj s ARG 124 Ca 0.60 -1.95 -0.16 0.00 -0.52 0.00 0.00 55.73 53.70 3atj s ARG 124 Cb -0.11 -1.47 -0.07 0.00 0.52 0.00 0.00 34.95 33.82 3atj s ARG 124 CO 0.33 0.03 0.54 -0.51 0.02 0.00 0.00 175.30 175.70 3atj s ASP 125 N -3.59 6.92 0.84 0.23 1.01 0.11 -4.45 116.67 117.75 3atj s ASP 125 Ca 0.33 1.13 -0.11 0.00 0.71 0.00 0.00 52.55 54.61 3atj s ASP 125 Cb 0.06 -2.31 0.10 0.00 1.01 0.00 0.00 42.92 41.77 3atj s ASP 125 CO 0.16 0.20 1.09 -0.94 0.21 0.00 0.00 175.17 175.89 3atj s SER 126 N -1.39 3.91 0.00 0.27 1.04 -0.42 -1.21 113.70 115.90 3atj s SER 126 Ca 0.32 1.67 0.21 0.00 0.48 0.00 0.00 55.95 58.63 3atj s SER 126 Cb -0.17 -2.35 0.30 0.00 0.10 0.00 0.00 66.02 63.90 3atj s SER 126 CO 0.18 -2.39 1.28 0.18 0.98 0.00 0.00 173.24 173.47 3atj n LEU 127 N -3.74 3.10 -3.82 2.42 4.32 -1.26 -4.79 117.00 113.23 3atj n LEU 127 Ca 0.08 -1.31 -0.06 0.00 -0.02 0.00 0.00 56.01 54.71 3atj n LEU 127 Cb 0.54 -0.14 -0.01 0.00 -1.62 0.00 0.00 43.42 42.19 3atj n LEU 127 CO 0.54 0.62 0.60 0.00 -1.22 0.00 0.00 177.39 177.93 3atj s GLN 128 N -1.55 1.58 0.21 3.23 -2.07 -1.26 -4.94 119.66 114.86 3atj s GLN 128 Ca 0.31 -0.91 0.07 0.00 -1.82 0.00 0.00 55.36 53.02 3atj s GLN 128 Cb 0.20 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.59 3atj s GLN 128 CO 0.28 -0.73 0.06 0.00 -1.32 0.00 0.00 175.29 173.58 3atj s ALA 129 N -3.36 3.32 -0.60 2.60 0.00 -1.26 -4.74 121.76 117.72 3atj s ALA 129 Ca 0.13 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.71 3atj s ALA 129 Cb -0.04 -1.06 0.16 0.00 0.00 0.00 0.00 23.12 22.18 3atj s ALA 129 CO 0.06 0.39 0.41 -0.06 0.00 0.00 0.00 175.76 176.56 3atj s PHE 130 N -1.95 2.88 0.03 0.00 0.40 -1.26 -4.78 117.98 113.29 3atj s PHE 130 Ca 0.30 -3.03 -0.25 0.00 -0.60 0.00 0.00 56.93 53.35 3atj s PHE 130 Cb -0.08 -2.28 -0.17 0.00 0.51 0.00 0.00 43.02 40.99 3atj s PHE 130 CO 0.21 -0.65 1.40 1.25 0.70 0.00 0.00 175.22 178.14 3atj h LEU 131 N 5.70 -0.21 -1.45 -0.37 5.85 -1.84 -1.31 115.31 121.67 3atj h LEU 131 Ca 0.13 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3atj h LEU 131 Cb 0.82 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3atj h LEU 131 CO 0.62 0.09 0.40 0.44 -0.34 0.00 0.00 178.44 179.65 3atj h ASP 132 N -0.51 0.62 -0.20 1.25 5.19 -1.93 -0.18 116.42 120.65 3atj h ASP 132 Ca -0.02 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.21 3atj h ASP 132 Cb 0.39 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 3atj h ASP 132 CO 0.04 0.42 -0.48 0.25 -3.12 0.00 0.00 179.24 176.36 3atj h LEU 133 N 0.72 0.84 -0.83 1.55 5.85 -1.96 -2.94 115.31 118.54 3atj h LEU 133 Ca 0.24 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 3atj h LEU 133 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3atj h LEU 133 CO -0.07 1.18 0.08 0.00 -0.34 0.00 0.00 178.44 179.29 3atj h ALA 134 N 0.85 1.04 0.00 1.25 0.00 -0.16 0.23 119.26 122.46 3atj h ALA 134 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3atj h ALA 134 Cb 1.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3atj h ALA 134 CO 0.10 0.61 0.00 -0.91 0.00 0.00 0.00 179.25 179.06 3atj h ASN 135 N 0.90 0.00 0.00 0.00 2.35 -0.93 -2.70 115.58 115.20 3atj h ASN 135 Ca 0.18 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 3atj h ASN 135 Cb 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 3atj h ASN 135 CO 0.01 0.00 -1.93 0.00 -1.65 0.00 0.00 177.43 173.86 3atj n ALA 136 N -1.95 1.68 0.02 -0.83 0.00 -0.84 -4.72 120.51 113.88 3atj n ALA 136 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.47 3atj n ALA 136 Cb 0.21 -0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 3atj n ALA 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3atj h ASN 137 N 0.00 0.02 -3.19 0.00 4.21 -0.49 -3.46 115.58 112.66 3atj h ASN 137 Ca -0.36 -0.03 -0.53 0.00 1.21 0.00 0.00 56.30 56.59 3atj h ASN 137 Cb 1.82 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 39.02 3atj h ASN 137 CO 0.02 1.02 0.58 -0.76 -1.29 0.00 0.00 177.43 177.00 3atj s LEU 138 N -6.41 4.38 0.41 1.61 1.43 -1.02 -4.96 118.68 114.10 3atj s LEU 138 Ca -0.02 2.06 -0.25 0.00 -1.03 0.00 0.00 54.13 54.89 3atj s LEU 138 Cb 0.09 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 3atj s LEU 138 CO 0.82 -0.48 1.16 -2.16 0.23 0.00 0.00 176.35 175.92 3atj s PRO 139 N 0.98 4.04 0.12 1.29 0.04 -1.26 -5.00 135.00 135.19 3atj s PRO 139 Ca 0.59 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3atj s PRO 139 Cb -0.30 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3atj s PRO 139 CO 0.30 -0.32 0.28 0.00 0.04 0.00 0.00 177.00 177.29 3atj s ALA 140 N -1.45 3.95 -0.20 8.56 0.00 -1.26 -5.00 121.76 126.36 3atj s ALA 140 Ca 0.58 -0.87 0.26 0.00 0.00 0.00 0.00 51.96 51.93 3atj s ALA 140 Cb -0.30 -1.87 1.24 0.00 0.00 0.00 0.00 23.12 22.19 3atj s ALA 140 CO 0.37 0.67 1.80 -1.00 0.00 0.00 0.00 175.76 177.59 3atj h PRO 141 N 2.61 0.00 -0.27 0.00 0.13 -1.96 -2.50 132.00 130.00 3atj h PRO 141 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3atj h PRO 141 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3atj h PRO 141 CO 0.72 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.46 3atj n PHE 142 N -2.45 0.35 -2.08 1.56 1.16 -1.26 -2.73 117.46 112.01 3atj n PHE 142 Ca 0.00 -0.17 -0.36 0.00 -1.87 0.00 0.00 57.45 55.05 3atj n PHE 142 Cb 0.16 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.06 3atj n PHE 142 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3atj s PHE 143 N -1.65 2.49 0.69 2.97 0.40 -0.94 -5.01 117.98 116.92 3atj s PHE 143 Ca 0.35 1.51 -0.06 0.00 -0.60 0.00 0.00 56.93 58.13 3atj s PHE 143 Cb 0.20 -3.45 0.06 0.00 0.51 0.00 0.00 43.02 40.33 3atj s PHE 143 CO 0.29 -2.06 1.00 0.95 0.70 0.00 0.00 175.22 176.10 3atj s THR 144 N -1.60 2.41 0.13 0.64 -4.23 -1.26 -4.57 115.64 107.15 3atj s THR 144 Ca 0.75 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.77 3atj s THR 144 Cb -0.30 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 3atj s THR 144 CO 0.33 -0.04 1.66 0.25 -0.54 0.00 0.00 174.62 176.27 3atj h LEU 145 N -0.54 -0.56 -1.35 4.79 6.46 -1.96 0.38 115.31 122.53 3atj h LEU 145 Ca -0.44 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.51 3atj h LEU 145 Cb 1.31 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 41.45 3atj h LEU 145 CO 0.60 -0.23 0.51 -0.65 -0.62 0.00 0.00 178.44 178.05 3atj h PRO 146 N -0.23 0.72 -0.34 5.25 0.11 -1.94 -0.04 132.00 135.53 3atj h PRO 146 Ca 0.10 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 3atj h PRO 146 Cb 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3atj h PRO 146 CO -0.26 0.47 -0.26 1.96 -0.21 0.00 0.00 178.00 179.70 3atj h GLN 147 N 0.74 0.68 -0.29 1.05 4.20 -1.63 -0.35 115.11 119.51 3atj h GLN 147 Ca 0.36 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3atj h GLN 147 Cb 0.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3atj h GLN 147 CO -0.13 0.87 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.53 3atj h LEU 148 N 0.59 0.62 -0.53 1.46 3.38 0.27 -1.67 115.31 119.44 3atj h LEU 148 Ca 0.08 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3atj h LEU 148 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3atj h LEU 148 CO 0.06 0.89 -0.08 0.11 0.09 0.00 0.00 178.44 179.51 3atj h LYS 149 N 0.52 0.99 -0.57 1.13 1.57 -0.65 -2.59 116.57 116.96 3atj h LYS 149 Ca 0.06 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 3atj h LYS 149 Cb 0.77 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3atj h LYS 149 CO 0.06 1.03 0.14 -0.44 -0.57 0.00 0.00 179.45 179.67 3atj h ASP 150 N 0.86 0.86 -0.90 0.86 3.32 -0.88 -1.04 116.42 119.50 3atj h ASP 150 Ca 0.14 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.00 3atj h ASP 150 Cb 0.64 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3atj h ASP 150 CO 0.04 0.87 0.58 -1.28 -1.72 0.00 0.00 179.24 177.73 3atj h SER 151 N 0.81 0.95 0.02 6.45 0.87 -1.16 0.98 113.55 122.47 3atj h SER 151 Ca 0.18 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.51 3atj h SER 151 Cb 0.35 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3atj h SER 151 CO 0.00 0.64 -0.90 -0.26 -0.53 0.00 0.00 176.83 175.79 3atj h PHE 152 N 1.11 0.87 -0.22 2.24 -1.00 -1.32 -3.20 116.94 115.41 3atj h PHE 152 Ca 0.36 -0.49 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 3atj h PHE 152 Cb 0.04 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 3atj h PHE 152 CO -0.02 1.32 -0.01 -0.09 -1.61 0.00 0.00 178.31 177.90 3atj h ARG 153 N 0.17 0.33 -0.28 1.51 2.43 -0.97 -1.02 114.38 116.56 3atj h ARG 153 Ca -0.12 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3atj h ARG 153 Cb 1.58 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 3atj h ARG 153 CO 0.18 0.37 0.20 -0.97 -1.51 0.00 0.00 179.97 178.24 3atj h ASN 154 N 0.32 0.00 -0.52 -3.80 -1.24 -0.80 -1.25 115.58 108.30 3atj h ASN 154 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3atj h ASN 154 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3atj h ASN 154 CO 0.01 0.00 0.00 1.33 -1.29 0.00 0.00 177.43 177.48 3atj n VAL 155 N -4.41 0.97 0.00 2.57 0.24 -0.89 -4.96 118.33 111.84 3atj n VAL 155 Ca 0.04 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 3atj n VAL 155 Cb 0.36 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3atj n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3atj n GLY 156 N 1.06 0.46 3.38 7.63 0.00 -0.47 -4.90 105.19 112.35 3atj n GLY 156 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3atj n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3atj s LEU 157 N 0.00 5.92 -0.11 0.99 1.43 -0.44 -4.83 118.68 121.64 3atj s LEU 157 Ca 0.00 -3.42 0.10 0.00 -1.03 0.00 0.00 54.13 49.78 3atj s LEU 157 Cb 0.00 -2.27 0.48 0.00 0.03 0.00 0.00 46.19 44.43 3atj s LEU 157 CO 0.00 -0.43 1.30 -0.46 0.23 0.00 0.00 176.35 176.98 3atj n ASN 158 N 3.64 3.54 -4.71 2.29 6.94 -1.26 -2.96 115.26 122.74 3atj n ASN 158 Ca 0.28 -2.42 -0.32 0.00 -0.02 0.00 0.00 54.58 52.11 3atj n ASN 158 Cb 0.40 -0.53 -0.08 0.00 -2.36 0.00 0.00 39.78 37.21 3atj n ASN 158 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3atj s ARG 159 N -1.90 2.78 0.36 -3.83 0.52 -1.26 -5.00 118.95 110.63 3atj s ARG 159 Ca 0.33 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 3atj s ARG 159 Cb 0.23 -2.67 0.68 0.00 0.52 0.00 0.00 34.95 33.71 3atj s ARG 159 CO 0.13 0.60 1.89 0.77 0.02 0.00 0.00 175.30 178.70 3atj h SER 160 N 3.89 0.37 -0.07 0.23 0.02 -1.95 -2.37 113.55 113.66 3atj h SER 160 Ca -0.48 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.34 3atj h SER 160 Cb 1.17 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3atj h SER 160 CO 0.60 0.48 -0.11 0.77 -1.14 0.00 0.00 176.83 177.44 3atj h SER 161 N 0.37 0.36 0.06 3.07 4.64 -1.95 -1.81 113.55 118.30 3atj h SER 161 Ca 0.08 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3atj h SER 161 Cb 0.36 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3atj h SER 161 CO 0.02 0.50 -0.03 0.44 -0.87 0.00 0.00 176.83 176.89 3atj h ASP 162 N 0.36 -0.08 0.23 4.97 3.32 -1.79 0.30 116.42 123.73 3atj h ASP 162 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3atj h ASP 162 Cb 0.41 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3atj h ASP 162 CO 0.02 -0.05 -0.11 0.25 -1.72 0.00 0.00 179.24 177.63 3atj h LEU 163 N -0.09 -0.26 -0.39 1.55 5.85 -1.49 -1.61 115.31 118.87 3atj h LEU 163 Ca -0.01 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3atj h LEU 163 Cb 0.07 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3atj h LEU 163 CO 0.01 -0.08 0.14 0.58 -0.34 0.00 0.00 178.44 178.75 3atj h VAL 164 N -0.42 1.20 0.08 1.05 2.07 -1.28 -1.98 116.25 116.97 3atj h VAL 164 Ca -0.03 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3atj h VAL 164 Cb 0.32 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3atj h VAL 164 CO 0.05 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 3atj h ALA 165 N 0.99 -0.11 0.00 1.67 0.00 -0.42 -3.11 119.26 118.27 3atj h ALA 165 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3atj h ALA 165 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3atj h ALA 165 CO -0.01 -0.42 -0.17 -0.07 0.00 0.00 0.00 179.25 178.58 3atj h LEU 166 N -0.39 0.00 -1.48 0.00 3.38 -1.32 -0.05 115.31 115.44 3atj h LEU 166 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3atj h LEU 166 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3atj h LEU 166 CO 0.02 0.17 0.00 0.28 0.09 0.00 0.00 178.44 179.00 3atj h SER 167 N 0.00 0.00 0.10 -0.43 0.02 -1.29 -1.45 113.55 110.50 3atj h SER 167 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3atj h SER 167 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3atj h SER 167 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 3atj n GLY 168 N -0.53 -0.48 0.12 -3.77 0.00 -0.03 -1.83 105.19 98.67 3atj n GLY 168 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3atj n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3atj n GLY 169 N -0.39 -1.22 0.90 -0.02 0.00 -0.55 -1.89 105.19 102.03 3atj n GLY 169 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.18 3atj n GLY 169 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3atj n HIS 170 N -2.17 0.59 0.92 1.61 8.25 -0.76 -3.52 115.22 120.14 3atj n HIS 170 Ca 0.02 -0.21 0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3atj n HIS 170 Cb 0.21 -0.22 0.54 0.00 1.12 0.00 0.00 29.99 31.64 3atj n HIS 170 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3atj n THR 171 N 0.17 0.12 -4.06 1.59 5.66 -0.79 -3.81 114.28 113.17 3atj n THR 171 Ca 0.08 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.89 3atj n THR 171 Cb 0.52 -0.44 -0.04 0.00 -1.55 0.00 0.00 70.33 68.81 3atj n THR 171 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3atj s PHE 172 N -3.02 0.82 0.00 1.09 -0.71 -1.23 -4.51 117.98 110.42 3atj s PHE 172 Ca 0.13 -1.12 0.00 0.00 -1.04 0.00 0.00 56.93 54.90 3atj s PHE 172 Cb 0.17 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 3atj s PHE 172 CO 0.56 -1.09 0.00 0.41 -1.34 0.00 0.00 175.22 173.76 3atj n GLY 173 N -0.49 0.06 3.50 1.99 0.00 -1.19 -4.72 105.19 104.34 3atj n GLY 173 Ca -0.00 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3atj n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3atj s LYS 174 N -1.10 1.73 -0.05 1.61 -0.14 -1.26 -1.98 119.74 118.55 3atj s LYS 174 Ca 0.00 -1.91 -0.03 0.00 -1.36 0.00 0.00 55.97 52.67 3atj s LYS 174 Cb 0.00 -1.40 0.02 0.00 -1.68 0.00 0.00 37.83 34.77 3atj s LYS 174 CO 0.00 0.04 0.11 1.21 -0.76 0.00 0.00 175.35 175.95 3atj s ASN 175 N -3.55 -0.10 0.35 2.83 2.47 0.44 -4.82 114.94 112.56 3atj s ASN 175 Ca 0.32 0.23 -0.26 0.00 0.42 0.00 0.00 52.86 53.57 3atj s ASN 175 Cb 0.05 0.19 -0.09 0.00 -1.45 0.00 0.00 41.25 39.94 3atj s ASN 175 CO 0.15 -0.08 1.04 -1.10 -3.72 0.00 0.00 177.10 173.39 3atj s GLN 176 N 0.50 4.39 0.31 0.43 -0.21 -1.26 -0.31 119.66 123.51 3atj s GLN 176 Ca -0.04 1.55 0.08 0.00 0.02 0.00 0.00 55.36 56.97 3atj s GLN 176 Cb -0.05 -2.78 0.82 0.00 1.00 0.00 0.00 33.01 32.00 3atj s GLN 176 CO -0.02 0.05 1.75 0.00 -2.12 0.00 0.00 175.29 174.95 3atj h ARG 178 N 0.65 0.08 -0.00 0.00 0.11 -1.48 -0.53 114.38 113.21 3atj h ARG 178 Ca 0.62 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.69 3atj h ARG 178 Cb 1.09 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3atj h ARG 178 CO -0.44 0.06 -0.03 1.19 0.10 0.00 0.00 179.97 180.85 3atj n PHE 179 N -4.31 0.00 -0.48 4.08 3.72 -0.64 -3.83 117.46 116.00 3atj n PHE 179 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3atj n PHE 179 Cb 0.97 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3atj n PHE 179 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3atj n ILE 180 N -0.71 0.09 -0.31 4.37 -5.35 -0.25 -4.83 119.36 112.37 3atj n ILE 180 Ca 0.20 -0.30 0.10 0.00 -0.27 0.00 0.00 62.75 62.48 3atj n ILE 180 Cb 0.22 1.35 0.27 0.00 -1.74 0.00 0.00 39.64 39.74 3atj n ILE 180 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3atj h MET 181 N 0.00 0.60 -0.64 6.28 2.86 -1.54 -1.33 114.93 121.16 3atj h MET 181 Ca 0.00 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3atj h MET 181 Cb 0.33 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3atj h MET 181 CO 0.00 0.40 0.13 0.38 1.06 0.00 0.00 176.91 178.88 3atj h ASP 182 N 0.62 0.98 0.43 1.22 2.03 -1.86 -1.04 116.42 118.80 3atj h ASP 182 Ca 0.52 -0.21 -0.04 0.00 -0.73 0.00 0.00 57.03 56.56 3atj h ASP 182 Cb 0.81 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3atj h ASP 182 CO -0.40 0.96 -0.20 0.03 -1.03 0.00 0.00 179.24 178.59 3atj h ARG 183 N 0.98 0.00 0.18 4.15 3.08 -1.54 -0.73 114.38 120.49 3atj h ARG 183 Ca 0.20 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.90 3atj h ARG 183 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.44 3atj h ARG 183 CO 0.01 0.20 -1.77 -0.07 -1.07 0.00 0.00 179.97 177.27 3atj h LEU 184 N 0.00 0.59 0.00 3.04 4.07 -0.96 0.12 115.31 122.16 3atj h LEU 184 Ca -0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.02 3atj h LEU 184 Cb 0.48 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3atj h LEU 184 CO 0.03 1.80 -0.96 -1.22 -1.08 0.00 0.00 178.44 177.00 3atj n TYR 185 N -3.60 0.00 -2.92 1.13 4.01 -0.44 -4.37 117.16 110.97 3atj n TYR 185 Ca -0.26 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.43 3atj n TYR 185 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.09 3atj n TYR 185 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3atj s ASN 186 N -2.69 -1.11 -0.13 7.72 2.47 -0.77 -3.81 114.94 116.62 3atj s ASN 186 Ca 0.00 -1.67 -0.25 0.00 0.42 0.00 0.00 52.86 51.36 3atj s ASN 186 Cb 0.00 1.65 -0.02 0.00 -1.45 0.00 0.00 41.25 41.43 3atj s ASN 186 CO 0.00 -0.09 0.78 0.12 -3.72 0.00 0.00 177.10 174.19 3atj s PHE 187 N 1.00 3.48 -1.45 0.43 5.36 0.12 -4.14 117.98 122.78 3atj s PHE 187 Ca 0.27 1.25 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 3atj s PHE 187 Cb -0.01 -2.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.76 3atj s PHE 187 CO -0.07 -0.12 0.92 0.43 -1.46 0.00 0.00 175.22 174.92 3atj n SER 188 N 4.70 -5.77 -1.60 6.13 7.64 -1.26 -1.91 113.62 121.55 3atj n SER 188 Ca 0.02 -0.51 -0.17 0.00 1.01 0.00 0.00 58.87 59.22 3atj n SER 188 Cb 0.50 -4.60 -0.05 0.00 -1.01 0.00 0.00 64.21 59.05 3atj n SER 188 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3atj n ASN 189 N -2.77 -5.11 0.01 6.43 3.02 -1.26 -4.87 115.26 110.71 3atj n ASN 189 Ca -0.02 0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.89 3atj n ASN 189 Cb 0.57 -4.16 -0.00 0.00 -0.61 0.00 0.00 39.78 35.57 3atj n ASN 189 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3atj n THR 190 N -3.11 0.10 -0.93 3.41 -2.24 -0.80 -4.95 114.28 105.75 3atj n THR 190 Ca -0.19 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3atj n THR 190 Cb 0.61 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3atj n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3atj n GLY 191 N 1.41 0.63 3.34 3.38 0.00 -1.26 -4.94 105.19 107.74 3atj n GLY 191 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3atj n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3atj s LEU 192 N 0.00 2.48 1.01 0.99 1.43 -1.25 -4.65 118.68 118.68 3atj s LEU 192 Ca 0.00 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 3atj s LEU 192 Cb 0.00 -0.78 0.19 0.00 0.03 0.00 0.00 46.19 45.64 3atj s LEU 192 CO 0.00 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.43 3atj s PRO 193 N -3.06 0.35 0.00 1.29 0.04 -1.26 0.14 135.00 132.50 3atj s PRO 193 Ca 0.18 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 3atj s PRO 193 Cb -0.04 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 3atj s PRO 193 CO 0.07 -2.81 1.70 0.34 0.04 0.00 0.00 177.00 176.35 3atj s ASP 194 N -3.32 6.61 0.10 6.66 -1.08 0.40 -4.69 116.67 121.35 3atj s ASP 194 Ca 0.65 2.39 0.15 0.00 -0.52 0.00 0.00 52.55 55.23 3atj s ASP 194 Cb -0.19 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.38 3atj s ASP 194 CO 0.58 -0.93 1.47 -0.81 0.52 0.00 0.00 175.17 176.00 3atj n PRO 195 N 6.66 0.06 -0.11 4.34 -0.04 -1.26 -2.16 135.00 142.49 3atj n PRO 195 Ca 0.17 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 3atj n PRO 195 Cb 0.42 -1.64 0.31 0.00 -0.04 0.00 0.00 33.50 32.55 3atj n PRO 195 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3atj n THR 196 N -1.77 0.30 -3.66 0.52 -2.24 -1.26 -4.84 114.28 101.33 3atj n THR 196 Ca 0.02 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 3atj n THR 196 Cb 0.14 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 3atj n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3atj s LEU 197 N -1.56 4.17 0.06 3.22 2.96 -0.92 -4.71 118.68 121.90 3atj s LEU 197 Ca 0.34 0.22 -0.35 0.00 -0.22 0.00 0.00 54.13 54.12 3atj s LEU 197 Cb 0.19 -2.15 -0.14 0.00 0.50 0.00 0.00 46.19 44.60 3atj s LEU 197 CO 0.28 0.11 1.64 -3.20 -1.32 0.00 0.00 176.35 173.86 3atj n ASN 198 N 3.92 2.98 -0.34 3.68 2.85 0.06 -4.82 115.26 123.60 3atj n ASN 198 Ca -0.15 1.06 0.01 0.00 -0.11 0.00 0.00 54.58 55.39 3atj n ASN 198 Cb 0.52 -1.37 0.15 0.00 1.24 0.00 0.00 39.78 40.32 3atj n ASN 198 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3atj h THR 199 N 4.18 1.08 -0.37 -0.44 1.35 -1.95 0.31 112.91 117.07 3atj h THR 199 Ca -0.46 -0.37 -0.10 0.00 -0.55 0.00 0.00 66.41 64.93 3atj h THR 199 Cb 1.27 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 3atj h THR 199 CO 0.90 0.20 -0.14 0.71 -0.25 0.00 0.00 175.52 176.93 3atj h THR 200 N 1.09 1.28 -0.25 6.82 1.35 -2.00 -2.50 112.91 118.70 3atj h THR 200 Ca 0.39 -1.25 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 3atj h THR 200 Cb 0.14 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3atj h THR 200 CO -0.16 0.41 -0.06 0.22 -0.25 0.00 0.00 175.52 175.69 3atj h TYR 201 N 0.55 0.39 -0.63 4.73 3.20 -1.80 -1.95 116.97 121.46 3atj h TYR 201 Ca 0.09 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3atj h TYR 201 Cb 0.68 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3atj h TYR 201 CO 0.06 0.44 0.39 1.25 -1.64 0.00 0.00 178.16 178.66 3atj h LEU 202 N 0.37 0.75 -0.31 2.82 5.85 0.02 -0.22 115.31 124.58 3atj h LEU 202 Ca 0.08 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3atj h LEU 202 Cb 0.34 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3atj h LEU 202 CO 0.01 0.57 -0.07 1.56 -0.34 0.00 0.00 178.44 180.18 3atj h GLN 203 N 0.87 0.60 -0.31 1.25 1.08 -0.96 -0.99 115.11 116.64 3atj h GLN 203 Ca 0.23 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3atj h GLN 203 Cb -0.05 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3atj h GLN 203 CO -0.04 0.78 0.18 1.15 -0.95 0.00 0.00 178.83 179.95 3atj h THR 204 N 0.37 1.11 -0.71 -0.54 2.02 -1.14 -2.31 112.91 111.72 3atj h THR 204 Ca 0.08 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3atj h THR 204 Cb 0.55 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3atj h THR 204 CO 0.03 0.11 0.20 -0.07 0.37 0.00 0.00 175.52 176.16 3atj h LEU 205 N 0.39 1.05 -1.94 2.58 3.38 -0.99 -2.00 115.31 117.78 3atj h LEU 205 Ca 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3atj h LEU 205 Cb 0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3atj h LEU 205 CO -0.02 0.99 -0.11 0.03 0.09 0.00 0.00 178.44 179.42 3atj h ARG 206 N 1.05 0.00 -0.05 1.13 3.08 -1.01 0.45 114.38 119.03 3atj h ARG 206 Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.07 3atj h ARG 206 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3atj h ARG 206 CO -0.00 0.11 -0.84 0.78 -1.07 0.00 0.00 179.97 178.95 3atj h GLY 207 N 0.69 0.50 1.75 0.04 0.00 -0.80 -3.01 103.07 102.23 3atj h GLY 207 Ca -0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 47.33 46.31 3atj h GLY 207 CO 0.01 0.69 -1.10 1.41 0.00 0.00 0.00 176.54 177.56 3atj h LEU 208 N 0.28 0.30 -6.64 3.11 3.38 -0.76 -3.39 115.31 111.59 3atj h LEU 208 Ca -0.06 -0.30 -0.61 0.00 0.09 0.00 0.00 57.88 57.01 3atj h LEU 208 Cb 1.45 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 41.69 3atj h LEU 208 CO 0.15 1.19 -0.66 0.00 0.09 0.00 0.00 178.44 179.21 3atj s PRO 210 N -1.62 2.88 0.33 0.00 0.02 -1.14 -4.64 135.00 130.83 3atj s PRO 210 Ca 0.31 1.67 0.11 0.00 0.02 0.00 0.00 61.00 63.11 3atj s PRO 210 Cb 0.05 -1.93 0.96 0.00 0.02 0.00 0.00 34.50 33.59 3atj s PRO 210 CO -0.12 -1.24 1.69 1.25 -0.33 0.00 0.00 177.00 178.25 3atj h LEU 211 N 0.57 0.51 -3.13 -5.54 5.85 -1.99 -0.56 115.31 111.01 3atj h LEU 211 Ca -0.49 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3atj h LEU 211 Cb 1.28 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3atj h LEU 211 CO 0.54 -0.05 0.00 0.59 -0.34 0.00 0.00 178.44 179.18 3atj n ASN 212 N -5.01 3.45 -2.47 1.25 3.02 -1.26 -5.03 115.26 109.21 3atj n ASN 212 Ca 0.28 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3atj n ASN 212 Cb 0.85 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3atj n ASN 212 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3atj n GLY 213 N -0.28 -1.14 3.63 7.41 0.00 -0.22 -4.99 105.19 109.60 3atj n GLY 213 Ca 0.17 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3atj n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3atj s ASN 214 N -1.06 6.89 0.34 1.61 2.47 -1.26 -4.90 114.94 119.01 3atj s ASN 214 Ca 0.00 0.96 0.26 0.00 0.42 0.00 0.00 52.86 54.51 3atj s ASN 214 Cb 0.00 -2.54 1.07 0.00 -1.45 0.00 0.00 41.25 38.33 3atj s ASN 214 CO 0.00 -0.93 1.79 -0.07 -3.72 0.00 0.00 177.10 174.17 3atj h LEU 215 N 10.23 0.00 -0.99 3.21 3.38 -1.94 -2.41 115.31 126.79 3atj h LEU 215 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3atj h LEU 215 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3atj h LEU 215 CO 1.04 0.00 -0.05 -1.20 0.09 0.00 0.00 178.44 178.32 3atj n SER 216 N -2.47 1.60 -4.78 -0.43 7.64 -1.26 -1.28 113.62 112.63 3atj n SER 216 Ca 0.02 -1.46 -0.41 0.00 1.01 0.00 0.00 58.87 58.03 3atj n SER 216 Cb 0.26 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3atj n SER 216 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3atj s ALA 217 N -2.09 3.53 -0.00 -0.43 0.00 -0.91 -4.73 121.76 117.13 3atj s ALA 217 Ca 0.34 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.76 3atj s ALA 217 Cb 0.21 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3atj s ALA 217 CO 0.37 -1.02 0.26 -0.51 0.00 0.00 0.00 175.76 174.85 3atj s LEU 218 N -2.13 4.37 0.09 0.00 1.43 -1.26 -0.83 118.68 120.36 3atj s LEU 218 Ca 0.53 0.55 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3atj s LEU 218 Cb -0.45 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3atj s LEU 218 CO 0.61 0.27 -0.18 -0.69 0.23 0.00 0.00 176.35 176.59 3atj s VAL 219 N -1.28 1.41 0.16 -1.59 1.01 0.57 -4.92 120.40 115.77 3atj s VAL 219 Ca 0.26 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3atj s VAL 219 Cb -0.13 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 3atj s VAL 219 CO 0.15 -0.14 1.16 -1.81 0.00 0.00 0.00 175.10 174.47 3atj s ASP 220 N -1.81 7.15 0.16 3.32 1.01 -1.26 -0.42 116.67 124.82 3atj s ASP 220 Ca 0.02 2.14 -0.11 0.00 0.71 0.00 0.00 52.55 55.31 3atj s ASP 220 Cb -0.10 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.26 3atj s ASP 220 CO 0.03 -0.33 1.62 0.24 0.21 0.00 0.00 175.17 176.93 3atj h MET 221 N 5.46 0.93 -4.69 8.23 2.86 -1.68 -3.40 114.93 122.65 3atj h MET 221 Ca -0.44 -0.29 -0.68 0.00 -2.06 0.00 0.00 59.70 56.22 3atj h MET 221 Cb 1.21 -0.09 -0.34 0.00 0.06 0.00 0.00 31.60 32.44 3atj h MET 221 CO 0.75 0.95 -0.67 0.34 1.06 0.00 0.00 176.91 179.34 3atj s ASP 222 N -6.42 4.96 0.22 1.22 2.15 -1.25 -4.44 116.67 113.10 3atj s ASP 222 Ca -0.12 -1.58 0.20 0.00 0.43 0.00 0.00 52.55 51.48 3atj s ASP 222 Cb 0.12 -1.73 0.91 0.00 -0.30 0.00 0.00 42.92 41.92 3atj s ASP 222 CO 0.83 -0.35 1.62 0.00 -0.17 0.00 0.00 175.17 177.11 3atj n LEU 223 N 4.57 0.51 -0.07 -1.34 -0.00 -1.26 -2.31 117.00 117.09 3atj n LEU 223 Ca -0.08 0.65 -0.08 0.00 -0.00 0.00 0.00 56.01 56.50 3atj n LEU 223 Cb 0.43 -0.62 -0.04 0.00 -0.00 0.00 0.00 43.42 43.19 3atj n LEU 223 CO 0.27 -0.60 -0.22 0.03 -0.00 0.00 0.00 177.39 176.87 3atj h ARG 224 N 0.00 0.00 -2.62 1.47 3.08 -1.93 -3.43 114.38 110.95 3atj h ARG 224 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3atj h ARG 224 Cb 0.25 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.90 3atj h ARG 224 CO 0.00 0.31 -0.83 0.95 -1.07 0.00 0.00 179.97 179.33 3atj s THR 225 N -2.10 1.23 0.57 2.04 -4.23 -1.24 -5.01 115.64 106.90 3atj s THR 225 Ca -0.15 -3.22 0.33 0.00 -1.18 0.00 0.00 61.69 57.47 3atj s THR 225 Cb 0.02 -1.83 0.47 0.00 1.34 0.00 0.00 72.50 72.50 3atj s THR 225 CO 0.29 -1.16 1.76 -0.65 -0.54 0.00 0.00 174.62 174.33 3atj h PRO 226 N 5.56 0.00 0.00 3.99 0.11 -1.72 -2.85 132.00 137.09 3atj h PRO 226 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3atj h PRO 226 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3atj h PRO 226 CO 0.49 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.53 3atj n THR 227 N -3.89 0.15 -3.98 -1.15 -2.24 -1.26 -3.16 114.28 98.76 3atj n THR 227 Ca 0.19 -0.52 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 3atj n THR 227 Cb 1.10 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 70.25 3atj n THR 227 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3atj s ILE 228 N -0.15 4.92 -0.70 2.28 1.01 -1.08 -4.89 121.20 122.60 3atj s ILE 228 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3atj s ILE 228 Cb 0.00 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3atj s ILE 228 CO 0.00 0.48 1.21 0.12 0.00 0.00 0.00 174.94 176.75 3atj s PHE 229 N 0.13 2.40 0.11 3.97 2.19 0.10 -4.60 117.98 122.29 3atj s PHE 229 Ca 0.06 -0.06 0.01 0.00 0.33 0.00 0.00 56.93 57.26 3atj s PHE 229 Cb -0.12 -4.54 -0.00 0.00 -1.31 0.00 0.00 43.02 37.05 3atj s PHE 229 CO 0.00 -1.92 0.14 -0.40 1.83 0.00 0.00 175.22 174.87 3atj n ASP 230 N 8.93 -0.37 -0.75 6.13 5.68 -1.26 -3.63 116.55 131.28 3atj n ASP 230 Ca 0.03 -1.66 0.05 0.00 -0.50 0.00 0.00 54.79 52.71 3atj n ASP 230 Cb 0.48 0.73 0.17 0.00 -1.14 0.00 0.00 41.12 41.36 3atj n ASP 230 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3atj n ASN 231 N -2.19 2.15 0.28 -1.12 6.94 -1.26 -4.30 115.26 115.75 3atj n ASN 231 Ca 0.01 -2.07 0.13 0.00 -0.02 0.00 0.00 54.58 52.63 3atj n ASN 231 Cb 0.20 -0.30 0.82 0.00 -2.36 0.00 0.00 39.78 38.14 3atj n ASN 231 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3atj h LYS 232 N 2.08 0.00 -0.98 -3.83 1.79 -1.93 -2.17 116.57 111.54 3atj h LYS 232 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 3atj h LYS 232 Cb 0.60 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.16 3atj h LYS 232 CO 0.04 0.00 0.61 -0.92 -1.08 0.00 0.00 179.45 178.10 3atj h TYR 233 N 0.00 1.01 -0.01 -1.35 3.20 -1.90 -1.76 116.97 116.15 3atj h TYR 233 Ca 0.00 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.70 3atj h TYR 233 Cb 0.00 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3atj h TYR 233 CO 0.00 0.31 -0.86 1.88 -1.64 0.00 0.00 178.16 177.85 3atj h TYR 234 N 0.80 0.41 -0.65 -3.82 0.05 -1.74 -3.04 116.97 108.97 3atj h TYR 234 Ca 0.52 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 3atj h TYR 234 Cb 0.76 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 3atj h TYR 234 CO -0.00 1.01 0.28 0.28 -1.05 0.00 0.00 178.16 178.67 3atj h VAL 235 N 0.16 1.23 -0.71 -2.88 2.07 -1.41 -2.54 116.25 112.17 3atj h VAL 235 Ca -0.05 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3atj h VAL 235 Cb 1.47 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3atj h VAL 235 CO 0.14 0.28 0.44 0.78 0.02 0.00 0.00 177.57 179.23 3atj h ASN 236 N 0.91 0.71 -0.85 0.57 2.35 -1.38 -2.28 115.58 115.61 3atj h ASN 236 Ca 0.22 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3atj h ASN 236 Cb 0.18 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3atj h ASN 236 CO -0.02 0.49 0.54 -0.07 -1.65 0.00 0.00 177.43 176.71 3atj h LEU 237 N 0.85 0.87 -2.02 1.61 3.38 -1.35 0.26 115.31 118.91 3atj h LEU 237 Ca 0.29 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3atj h LEU 237 Cb 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3atj h LEU 237 CO -0.12 0.58 -0.09 -0.33 0.09 0.00 0.00 178.44 178.56 3atj h GLU 238 N 1.01 0.00 -0.63 1.13 5.08 -1.11 -1.32 114.58 118.74 3atj h GLU 238 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3atj h GLU 238 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3atj h GLU 238 CO -0.14 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.35 3atj n GLU 239 N -3.61 2.55 -3.33 2.33 1.02 -0.35 -4.92 120.64 114.32 3atj n GLU 239 Ca -0.02 -2.40 -0.21 0.00 -0.02 0.00 0.00 57.16 54.51 3atj n GLU 239 Cb 0.21 -1.52 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3atj n GLU 239 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3atj n GLN 240 N 1.47 -6.42 -0.61 3.49 6.02 -0.50 -4.61 117.38 116.21 3atj n GLN 240 Ca 0.22 0.77 0.03 0.00 -0.01 0.00 0.00 57.00 58.02 3atj n GLN 240 Cb 0.57 -5.54 0.20 0.00 1.02 0.00 0.00 30.24 26.49 3atj n GLN 240 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3atj n LYS 241 N -4.33 1.68 -2.40 -1.09 5.02 0.76 -0.76 118.16 117.04 3atj n LYS 241 Ca -0.02 -3.20 -0.41 0.00 -2.02 0.00 0.00 58.31 52.66 3atj n LYS 241 Cb 0.57 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3atj n LYS 241 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3atj s GLY 242 N -2.96 2.66 0.02 0.72 0.00 -1.25 -4.70 107.32 101.81 3atj s GLY 242 Ca 0.40 0.92 -0.27 0.00 0.00 0.00 0.00 44.72 45.77 3atj s GLY 242 CO -0.04 1.85 1.19 -2.00 0.00 0.00 0.00 173.10 174.11 3atj h LEU 243 N 5.43 -0.68-10.12 0.66 5.85 -1.94 -3.43 115.31 111.08 3atj h LEU 243 Ca -0.44 -0.03 -0.50 0.00 0.84 0.00 0.00 57.88 57.75 3atj h LEU 243 Cb 1.21 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3atj h LEU 243 CO 0.75 -0.32 -0.39 0.27 -0.34 0.00 0.00 178.44 178.41 3atj s ILE 244 N -4.80 5.25 0.24 4.05 -4.36 -1.26 -4.97 121.20 115.35 3atj s ILE 244 Ca -0.14 -0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 59.47 3atj s ILE 244 Cb 0.02 -3.80 0.25 0.00 1.25 0.00 0.00 42.46 40.18 3atj s ILE 244 CO 0.47 -0.25 1.65 -0.61 0.24 0.00 0.00 174.94 176.45 3atj h GLN 245 N 1.61 0.13 0.00 0.37 4.15 -1.88 0.13 115.11 119.61 3atj h GLN 245 Ca -0.50 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 3atj h GLN 245 Cb 1.21 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 3atj h GLN 245 CO 0.65 0.09 -0.05 0.66 -1.93 0.00 0.00 178.83 178.24 3atj h SER 246 N 0.13 0.00 0.21 -0.69 4.64 -1.76 -2.01 113.55 114.08 3atj h SER 246 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 3atj h SER 246 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3atj h SER 246 CO -0.60 0.05 -0.10 0.44 -0.87 0.00 0.00 176.83 175.75 3atj h ASP 247 N 0.00 -0.24 -0.02 4.97 3.32 -1.10 -3.35 116.42 119.99 3atj h ASP 247 Ca -0.00 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3atj h ASP 247 Cb 0.18 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3atj h ASP 247 CO 0.01 0.28 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.12 3atj h GLN 248 N -0.97 0.25 0.00 3.56 5.75 -1.32 -2.78 115.11 119.61 3atj h GLN 248 Ca -0.03 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3atj h GLN 248 Cb 0.46 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 3atj h GLN 248 CO 0.05 0.35 -0.00 0.93 -2.65 0.00 0.00 178.83 177.50 3atj h GLU 249 N 0.24 0.00 0.00 1.69 5.08 -1.50 0.16 114.58 120.26 3atj h GLU 249 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3atj h GLU 249 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3atj h GLU 249 CO 0.02 0.00 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.87 3atj h LEU 250 N 0.00 0.00 0.00 1.33 3.38 -1.63 -2.14 115.31 116.25 3atj h LEU 250 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3atj h LEU 250 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3atj h LEU 250 CO 0.00 0.09 -1.30 0.33 0.09 0.00 0.00 178.44 177.65 3atj n PHE 251 N -3.56 0.00 0.76 1.13 7.35 -0.45 -3.83 117.46 118.86 3atj n PHE 251 Ca -0.02 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.76 3atj n PHE 251 Cb 0.21 -0.21 0.01 0.00 0.35 0.00 0.00 39.48 39.84 3atj n PHE 251 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3atj n SER 252 N -2.25 1.84 -4.78 -2.13 7.64 0.44 -4.91 113.62 109.48 3atj n SER 252 Ca -0.07 -1.42 -0.37 0.00 1.01 0.00 0.00 58.87 58.02 3atj n SER 252 Cb 0.63 0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 64.18 3atj n SER 252 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3atj s SER 253 N -1.91 6.68 0.19 6.43 0.15 -0.81 -4.91 113.70 119.53 3atj s SER 253 Ca 0.15 2.09 0.16 0.00 0.70 0.00 0.00 55.95 59.06 3atj s SER 253 Cb 0.14 -2.59 0.79 0.00 -1.71 0.00 0.00 66.02 62.65 3atj s SER 253 CO 0.40 -0.55 1.50 -0.81 1.20 0.00 0.00 173.24 174.98 3atj n PRO 254 N -0.10 0.10 -0.24 5.44 -0.04 -1.26 -1.11 135.00 137.78 3atj n PRO 254 Ca 0.05 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 3atj n PRO 254 Cb 0.49 -1.77 0.23 0.00 -0.04 0.00 0.00 33.50 32.41 3atj n PRO 254 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3atj n ASN 255 N -1.98 3.44 -0.49 3.54 2.85 -1.26 -4.55 115.26 116.81 3atj n ASN 255 Ca 0.00 -1.96 0.00 0.00 -0.11 0.00 0.00 54.58 52.52 3atj n ASN 255 Cb 0.10 -0.32 0.02 0.00 1.24 0.00 0.00 39.78 40.81 3atj n ASN 255 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3atj n ALA 256 N 1.28 2.56 -0.22 5.20 0.00 -0.27 -4.36 120.51 124.69 3atj n ALA 256 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.57 3atj n ALA 256 Cb 0.55 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.14 3atj n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3atj h THR 257 N 0.21 0.57 0.00 0.00 2.02 -1.81 -0.71 112.91 113.18 3atj h THR 257 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3atj h THR 257 Cb 0.49 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3atj h THR 257 CO 0.02 0.05 -0.44 -2.24 0.37 0.00 0.00 175.52 173.27 3atj h ASP 258 N 0.25 0.00 0.21 4.18 2.03 -1.98 -3.37 116.42 117.75 3atj h ASP 258 Ca 0.36 -0.14 -0.32 0.00 -0.73 0.00 0.00 57.03 56.20 3atj h ASP 258 Cb 0.58 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.02 3atj h ASP 258 CO -0.47 0.07 -2.09 0.35 -1.03 0.00 0.00 179.24 176.08 3atj n THR 259 N -2.19 1.43 -0.08 1.15 -2.24 -0.83 -4.43 114.28 107.08 3atj n THR 259 Ca 0.04 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 3atj n THR 259 Cb 0.44 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3atj n THR 259 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3atj h ILE 260 N 0.00 0.71 -0.90 2.28 2.04 -1.26 -1.38 117.51 119.01 3atj h ILE 260 Ca -0.42 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.54 3atj h ILE 260 Cb 2.10 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 3atj h ILE 260 CO 0.05 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 178.13 3atj h PRO 261 N 0.01 0.85 -0.29 2.37 0.11 -1.78 -0.09 132.00 133.17 3atj h PRO 261 Ca 0.14 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.07 3atj h PRO 261 Cb 0.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3atj h PRO 261 CO -0.30 0.56 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.62 3atj h LEU 262 N 0.87 0.69 -0.21 2.35 3.38 -1.61 -0.86 115.31 119.92 3atj h LEU 262 Ca 0.43 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3atj h LEU 262 Cb 0.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3atj h LEU 262 CO -0.19 0.99 -0.03 0.58 0.09 0.00 0.00 178.44 179.88 3atj h VAL 263 N 0.55 1.28 -0.61 1.22 2.07 -0.22 0.39 116.25 120.93 3atj h VAL 263 Ca 0.05 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3atj h VAL 263 Cb 0.88 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3atj h VAL 263 CO 0.08 0.30 0.40 0.03 0.02 0.00 0.00 177.57 178.40 3atj h ARG 264 N 0.13 0.79 0.17 1.57 2.47 -0.96 0.11 114.38 118.67 3atj h ARG 264 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3atj h ARG 264 Cb 0.47 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3atj h ARG 264 CO 0.02 0.52 -0.08 1.03 0.56 0.00 0.00 179.97 182.01 3atj h SER 265 N 0.81 -0.20 -0.03 7.04 0.87 -1.03 -2.82 113.55 118.20 3atj h SER 265 Ca 0.22 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3atj h SER 265 Cb -0.08 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3atj h SER 265 CO -0.05 -0.02 -0.09 -0.26 -0.53 0.00 0.00 176.83 175.88 3atj h PHE 266 N -0.37 0.28 0.00 2.24 0.04 -0.69 -2.17 116.94 116.27 3atj h PHE 266 Ca -0.02 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3atj h PHE 266 Cb 0.29 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 3atj h PHE 266 CO -0.02 0.37 -0.00 0.00 -0.60 0.00 0.00 178.31 178.06 3atj h ALA 267 N 1.65 1.00 -0.17 2.45 0.00 -0.68 -3.22 119.26 120.29 3atj h ALA 267 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3atj h ALA 267 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3atj h ALA 267 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3atj n ASN 268 N -3.09 2.32 -3.28 0.00 3.02 -0.86 -4.75 115.26 108.62 3atj n ASN 268 Ca 0.01 -1.77 -0.05 0.00 -0.03 0.00 0.00 54.58 52.74 3atj n ASN 268 Cb 0.34 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3atj n ASN 268 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3atj s SER 269 N -0.89 -0.28 0.20 6.41 0.15 -0.93 -5.03 113.70 113.34 3atj s SER 269 Ca 0.14 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 57.08 3atj s SER 269 Cb 0.08 1.45 0.13 0.00 -1.71 0.00 0.00 66.02 65.97 3atj s SER 269 CO 0.11 -0.29 1.77 0.74 1.20 0.00 0.00 173.24 176.76 3atj h THR 270 N 6.12 1.25 -0.13 6.45 2.02 -1.89 -2.33 112.91 124.41 3atj h THR 270 Ca -0.19 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3atj h THR 270 Cb 1.16 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3atj h THR 270 CO 0.27 0.32 0.08 -0.61 0.37 0.00 0.00 175.52 175.94 3atj h GLN 271 N 1.05 0.17 -0.43 6.66 4.15 -1.95 0.22 115.11 124.97 3atj h GLN 271 Ca 0.25 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.67 3atj h GLN 271 Cb 0.20 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3atj h GLN 271 CO -0.02 0.11 0.27 1.15 -1.93 0.00 0.00 178.83 178.41 3atj h THR 272 N 0.17 1.07 0.06 2.39 2.02 -1.90 0.40 112.91 117.12 3atj h THR 272 Ca 0.05 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3atj h THR 272 Cb -0.02 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3atj h THR 272 CO -0.02 0.10 -0.03 0.15 0.37 0.00 0.00 175.52 176.10 3atj h PHE 273 N 0.55 -0.07 -0.66 3.16 3.57 -1.13 -1.41 116.94 120.96 3atj h PHE 273 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3atj h PHE 273 Cb -0.02 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3atj h PHE 273 CO -0.06 0.08 0.39 0.74 -2.23 0.00 0.00 178.31 177.23 3atj h PHE 274 N -0.21 0.72 -0.08 0.41 -1.00 -0.36 0.28 116.94 116.70 3atj h PHE 274 Ca -0.01 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3atj h PHE 274 Cb 0.18 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3atj h PHE 274 CO -0.03 0.38 -0.01 -0.91 -1.61 0.00 0.00 178.31 176.13 3atj h ASN 275 N 0.74 -0.05 -0.69 2.17 -0.26 -0.80 -1.15 115.58 115.55 3atj h ASN 275 Ca 0.28 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.99 3atj h ASN 275 Cb 0.10 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 3atj h ASN 275 CO -0.14 -0.01 0.24 0.00 -1.06 0.00 0.00 177.43 176.46 3atj h ALA 276 N 1.07 1.09 -0.55 -0.83 0.00 -0.76 -2.06 119.26 117.22 3atj h ALA 276 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3atj h ALA 276 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3atj h ALA 276 CO -0.07 0.63 0.05 0.35 0.00 0.00 0.00 179.25 180.21 3atj h PHE 277 N 1.04 1.00 -0.51 0.00 3.57 -0.21 -0.56 116.94 121.28 3atj h PHE 277 Ca 0.23 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3atj h PHE 277 Cb 0.26 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3atj h PHE 277 CO 0.02 0.90 0.09 0.28 -2.23 0.00 0.00 178.31 177.37 3atj h VAL 278 N 0.81 1.25 -0.41 1.41 2.07 -1.04 0.23 116.25 120.57 3atj h VAL 278 Ca 0.16 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3atj h VAL 278 Cb 0.46 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3atj h VAL 278 CO 0.02 0.33 0.13 -0.08 0.02 0.00 0.00 177.57 177.99 3atj h GLU 279 N 0.72 0.64 -0.61 1.57 4.81 -1.23 -1.42 114.58 119.06 3atj h GLU 279 Ca 0.16 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3atj h GLU 279 Cb 0.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3atj h GLU 279 CO 0.01 0.63 0.07 0.00 -0.73 0.00 0.00 179.01 178.99 3atj h ALA 280 N 0.98 0.97 -0.47 2.92 0.00 -0.97 -2.11 119.26 120.58 3atj h ALA 280 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3atj h ALA 280 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3atj h ALA 280 CO -0.00 0.64 0.15 0.52 0.00 0.00 0.00 179.25 180.55 3atj h MET 281 N 0.94 0.73 -0.11 0.00 2.86 -0.71 -0.29 114.93 118.37 3atj h MET 281 Ca 0.18 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 3atj h MET 281 Cb 0.45 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3atj h MET 281 CO 0.02 0.70 -0.29 -0.44 1.06 0.00 0.00 176.91 177.96 3atj h ASP 282 N 0.63 0.20 -0.32 1.22 3.32 -1.13 0.24 116.42 120.57 3atj h ASP 282 Ca 0.15 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3atj h ASP 282 Cb 0.27 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3atj h ASP 282 CO -0.00 0.49 -0.22 0.03 -1.72 0.00 0.00 179.24 177.81 3atj h ARG 283 N 0.18 0.72 -0.69 3.56 3.08 -0.99 -2.83 114.38 117.41 3atj h ARG 283 Ca 0.03 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 3atj h ARG 283 Cb 0.61 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 3atj h ARG 283 CO 0.04 0.96 0.15 1.98 -1.07 0.00 0.00 179.97 182.03 3atj h MET 284 N 0.48 1.11 0.00 0.04 4.05 -0.65 -2.17 114.93 117.80 3atj h MET 284 Ca 0.06 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 3atj h MET 284 Cb 0.78 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3atj h MET 284 CO 0.06 1.00 0.00 0.41 0.23 0.00 0.00 176.91 178.61 3atj n GLY 285 N -0.63 -0.76 1.11 1.39 0.00 0.04 -2.31 105.19 104.03 3atj n GLY 285 Ca 0.05 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3atj n GLY 285 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3atj n ASN 286 N -1.36 3.69 -4.65 1.61 3.02 -0.82 -4.79 115.26 111.96 3atj n ASN 286 Ca 0.05 -2.09 -0.43 0.00 -0.03 0.00 0.00 54.58 52.08 3atj n ASN 286 Cb 0.11 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 3atj n ASN 286 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3atj s ILE 287 N -1.17 3.82 -0.15 2.41 1.01 -0.98 -4.28 121.20 121.87 3atj s ILE 287 Ca 0.40 0.97 -0.02 0.00 0.00 0.00 0.00 60.65 62.00 3atj s ILE 287 Cb 0.22 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3atj s ILE 287 CO 0.25 -0.16 0.09 0.35 0.00 0.00 0.00 174.94 175.47 3atj n THR 288 N 5.75 -0.43 -2.11 2.92 -2.24 -1.26 -3.33 114.28 113.59 3atj n THR 288 Ca 0.17 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 3atj n THR 288 Cb 0.44 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3atj n THR 288 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3atj s PRO 289 N -3.73 3.60 -0.18 -0.78 0.04 -1.26 -4.49 135.00 128.19 3atj s PRO 289 Ca 0.03 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 3atj s PRO 289 Cb -0.02 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3atj s PRO 289 CO 0.14 -0.57 0.44 -0.51 0.04 0.00 0.00 177.00 176.54 3atj s LEU 290 N -4.57 4.19 0.31 -3.56 1.43 -1.26 -4.99 118.68 110.23 3atj s LEU 290 Ca 0.59 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 3atj s LEU 290 Cb -0.12 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3atj s LEU 290 CO 0.40 -0.07 0.19 0.42 0.23 0.00 0.00 176.35 177.52 3atj s THR 291 N 1.16 0.22 0.00 5.49 -4.23 -1.26 -0.01 115.64 117.01 3atj s THR 291 Ca 0.22 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3atj s THR 291 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3atj s THR 291 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3atj n GLY 292 N -0.59 1.15 0.51 3.99 0.00 -1.26 -1.32 105.19 107.66 3atj n GLY 292 Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.43 3atj n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3atj n THR 293 N 0.00 0.12 -2.50 2.61 -2.24 -1.26 -4.99 114.28 106.01 3atj n THR 293 Ca 0.00 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 60.87 3atj n THR 293 Cb 0.00 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3atj n THR 293 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3atj s GLN 294 N -1.00 3.91 2.05 -0.78 -0.21 -0.44 -4.83 119.66 118.36 3atj s GLN 294 Ca 0.15 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.00 3atj s GLN 294 Cb 0.10 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.84 3atj s GLN 294 CO 0.15 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 3atj n GLY 295 N 0.05 0.06 2.38 3.09 0.00 -1.26 -4.44 105.19 105.06 3atj n GLY 295 Ca 0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3atj n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3atj n GLN 296 N -0.82 0.32 -3.61 1.61 10.64 -0.35 -4.84 117.38 120.32 3atj n GLN 296 Ca 0.00 -2.42 -0.40 0.00 -1.83 0.00 0.00 57.00 52.35 3atj n GLN 296 Cb 0.00 2.02 -0.09 0.00 -0.86 0.00 0.00 30.24 31.31 3atj n GLN 296 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3atj s ILE 297 N -2.97 4.01 0.35 -0.39 1.01 -1.26 0.09 121.20 122.04 3atj s ILE 297 Ca 0.29 -2.07 -0.28 0.00 0.00 0.00 0.00 60.65 58.58 3atj s ILE 297 Cb 0.01 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.72 3atj s ILE 297 CO 0.20 -0.79 1.47 -1.14 0.00 0.00 0.00 174.94 174.68 3atj n ARG 298 N 4.57 2.56 0.02 2.79 0.63 -1.26 -4.92 116.66 121.05 3atj n ARG 298 Ca -0.03 0.90 -0.14 0.00 -0.92 0.00 0.00 57.85 57.66 3atj n ARG 298 Cb 0.41 -2.61 -0.14 0.00 0.45 0.00 0.00 32.46 30.57 3atj n ARG 298 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3atj h LEU 299 N 3.19 0.22 -7.60 6.15 3.38 -1.95 -3.44 115.31 115.26 3atj h LEU 299 Ca -0.49 -0.37 -0.54 0.00 0.09 0.00 0.00 57.88 56.56 3atj h LEU 299 Cb 1.25 -0.07 -0.38 0.00 0.09 0.00 0.00 40.66 41.55 3atj h LEU 299 CO 0.66 1.32 -0.79 0.21 0.09 0.00 0.00 178.44 179.94 3atj s ASN 300 N -6.64 2.70 0.66 -0.43 2.47 -1.26 -4.93 114.94 107.51 3atj s ASN 300 Ca -0.09 -0.60 0.38 0.00 0.42 0.00 0.00 52.86 52.97 3atj s ASN 300 Cb 0.07 -0.87 2.07 0.00 -1.45 0.00 0.00 41.25 41.08 3atj s ASN 300 CO 0.82 -0.18 2.18 0.00 -3.72 0.00 0.00 177.10 176.20 3atj h ARG 302 N 0.00 0.00 -4.51 0.00 3.08 -1.97 -3.32 114.38 107.67 3atj h ARG 302 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3atj h ARG 302 Cb 0.29 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.17 3atj h ARG 302 CO -0.00 0.12 -0.71 0.14 -1.07 0.00 0.00 179.97 178.45 3atj s VAL 303 N -3.16 0.52 0.40 2.04 -7.23 -0.80 -1.12 120.40 111.05 3atj s VAL 303 Ca 0.05 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 3atj s VAL 303 Cb 0.06 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.78 3atj s VAL 303 CO 0.70 -0.67 1.03 -0.69 -0.31 0.00 0.00 175.10 175.16 3atj s VAL 304 N -2.63 3.83 0.39 1.32 1.01 -1.26 -4.51 120.40 118.56 3atj s VAL 304 Ca 0.01 1.38 -0.26 0.00 0.00 0.00 0.00 61.98 63.11 3atj s VAL 304 Cb -0.01 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3atj s VAL 304 CO -0.03 -0.01 1.32 0.20 0.00 0.00 0.00 175.10 176.58 3atj s ASN 305 N -1.63 6.36 -0.05 3.32 0.01 -1.26 -4.96 114.94 116.73 3atj s ASN 305 Ca 0.58 2.69 -0.19 0.00 -0.71 0.00 0.00 52.86 55.22 3atj s ASN 305 Cb -0.20 -2.64 -0.13 0.00 0.41 0.00 0.00 41.25 38.68 3atj s ASN 305 CO 0.26 -0.82 0.80 0.28 -1.51 0.00 0.00 177.10 176.11 3atj h SER 306 N 2.78 -0.26 0.00 -1.22 0.02 -2.02 -3.52 113.55 109.32 3atj h SER 306 Ca -0.50 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3atj h SER 306 Cb 1.24 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3atj h SER 306 CO 0.63 0.25 0.00 -3.20 -1.14 0.00 0.00 176.83 173.37