#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m76 n LEU 9 N 0.00 0.76 -4.75 2.45 7.94 -1.26 -4.94 117.00 117.21 3m76 n LEU 9 Ca 0.00 0.60 -0.41 0.00 -1.11 0.00 0.00 56.01 55.09 3m76 n LEU 9 Cb 0.00 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 42.71 3m76 n LEU 9 CO 0.00 -3.13 0.96 -2.84 -1.11 0.00 0.00 177.39 171.26 3m76 s PRO 10 N -2.67 4.42 0.41 1.96 0.02 -1.26 -4.89 135.00 132.98 3m76 s PRO 10 Ca 0.66 2.06 0.07 0.00 0.02 0.00 0.00 61.00 63.80 3m76 s PRO 10 Cb -0.36 -3.16 0.85 0.00 0.02 0.00 0.00 34.50 31.84 3m76 s PRO 10 CO 0.58 -0.17 2.05 1.15 -0.33 0.00 0.00 177.00 180.28 3m76 h THR 11 N 3.48 1.11 0.00 0.99 2.02 -1.95 -0.70 112.91 117.86 3m76 h THR 11 Ca -0.46 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3m76 h THR 11 Cb 1.22 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3m76 h THR 11 CO 0.73 0.11 0.00 1.23 0.37 0.00 0.00 175.52 177.96 3m76 h GLY 12 N 0.57 0.00 2.00 2.16 0.00 -1.90 -2.04 103.07 103.86 3m76 h GLY 12 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3m76 h GLY 12 CO -0.03 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.79 3m76 n TYR 13 N -2.33 0.80 0.23 5.60 4.02 -0.27 -1.16 117.16 124.05 3m76 n TYR 13 Ca -0.00 0.35 0.15 0.00 -0.01 0.00 0.00 57.90 58.38 3m76 n TYR 13 Cb 0.10 -1.06 0.78 0.00 -0.02 0.00 0.00 39.34 39.14 3m76 n TYR 13 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 3m76 h PHE 14 N 0.00 0.00 -0.58 -0.72 0.04 -1.57 -1.13 116.94 112.98 3m76 h PHE 14 Ca 0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 3m76 h PHE 14 Cb 0.24 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3m76 h PHE 14 CO 0.00 0.00 0.40 -0.44 -0.60 0.00 0.00 178.31 177.67 3m76 h ASP 15 N 0.00 0.22 0.65 2.17 3.32 -1.39 -2.21 116.42 119.17 3m76 h ASP 15 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3m76 h ASP 15 Cb 0.13 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3m76 h ASP 15 CO 0.00 0.12 -0.31 0.40 -1.72 0.00 0.00 179.24 177.73 3m76 h ILE 16 N 0.24 0.08 0.00 0.35 2.04 -1.43 -0.50 117.51 118.28 3m76 h ILE 16 Ca 0.28 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3m76 h ILE 16 Cb 0.77 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3m76 h ILE 16 CO -0.05 0.01 -0.21 1.55 0.00 0.00 0.00 178.15 179.45 3m76 h PRO 17 N -1.19 0.00 0.18 2.37 0.13 -1.73 -2.00 132.00 129.75 3m76 h PRO 17 Ca -0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3m76 h PRO 17 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3m76 h PRO 17 CO 0.15 0.21 -0.20 1.25 -0.23 0.00 0.00 178.00 179.17 3m76 h LEU 18 N 0.00 -0.55 -0.53 1.56 6.46 -1.36 0.47 115.31 121.37 3m76 h LEU 18 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 3m76 h LEU 18 Cb 0.38 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 3m76 h LEU 18 CO 0.03 -0.30 0.17 1.23 -0.62 0.00 0.00 178.44 178.95 3m76 h GLY 19 N -0.43 0.87 1.27 3.75 0.00 -0.78 -0.59 103.07 107.17 3m76 h GLY 19 Ca 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3m76 h GLY 19 CO -0.06 0.48 0.08 1.41 0.00 0.00 0.00 176.54 178.45 3m76 h LEU 20 N 0.72 0.86 -0.17 3.11 3.38 -1.32 -1.29 115.31 120.60 3m76 h LEU 20 Ca 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3m76 h LEU 20 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3m76 h LEU 20 CO -0.01 0.87 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 3m76 h ALA 21 N 1.23 0.24 -0.90 1.53 0.00 -0.60 0.14 119.26 120.90 3m76 h ALA 21 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m76 h ALA 21 Cb 0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3m76 h ALA 21 CO 0.01 0.02 0.60 0.00 0.00 0.00 0.00 179.25 179.88 3m76 h ALA 22 N 0.71 1.36 -0.33 0.00 0.00 -1.04 -1.95 119.26 118.01 3m76 h ALA 22 Ca 0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3m76 h ALA 22 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3m76 h ALA 22 CO 0.02 0.59 -0.36 1.25 0.00 0.00 0.00 179.25 180.76 3m76 h LEU 23 N 1.22 0.79 -0.72 0.00 5.85 -1.04 -1.78 115.31 119.63 3m76 h LEU 23 Ca 0.33 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3m76 h LEU 23 Cb -0.13 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.60 3m76 h LEU 23 CO -0.07 1.07 0.34 -1.28 -0.34 0.00 0.00 178.44 178.15 3m76 h SER 24 N 0.62 0.41 -0.30 1.25 0.87 -0.39 -2.01 113.55 114.00 3m76 h SER 24 Ca 0.06 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 3m76 h SER 24 Cb 0.89 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3m76 h SER 24 CO 0.08 0.22 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.30 3m76 h LEU 25 N 0.55 0.80 -0.25 2.23 3.38 -0.96 -0.61 115.31 120.44 3m76 h LEU 25 Ca 0.36 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3m76 h LEU 25 Cb 0.44 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3m76 h LEU 25 CO -0.30 1.00 0.09 0.00 0.09 0.00 0.00 178.44 179.31 3m76 h ALA 26 N 1.06 0.28 -0.31 1.53 0.00 -0.81 -2.36 119.26 118.65 3m76 h ALA 26 Ca 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3m76 h ALA 26 Cb 0.74 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3m76 h ALA 26 CO 0.06 -0.32 -0.08 -1.49 0.00 0.00 0.00 179.25 177.42 3m76 h TRP 27 N 0.20 0.54 -0.93 0.00 4.06 -1.05 -2.50 115.95 116.28 3m76 h TRP 27 Ca 0.11 -0.07 0.08 0.00 2.06 0.00 0.00 58.89 61.07 3m76 h TRP 27 Cb 0.08 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.02 3m76 h TRP 27 CO -0.13 0.58 0.60 0.35 -3.56 0.00 0.00 178.44 176.29 3m76 h PHE 28 N 0.48 1.04 0.00 0.49 3.57 -0.69 -1.14 116.94 120.69 3m76 h PHE 28 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3m76 h PHE 28 Cb 0.43 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3m76 h PHE 28 CO 0.01 0.51 0.00 0.72 -2.23 0.00 0.00 178.31 177.32 3m76 n HIS 29 N -4.52 0.00 1.06 0.41 8.25 -0.93 -2.23 115.22 117.27 3m76 n HIS 29 Ca 0.15 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 3m76 n HIS 29 Cb 0.26 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.27 3m76 n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m76 n LEU 30 N -1.19 1.34 -0.21 2.41 4.77 -0.43 -4.56 117.00 119.12 3m76 n LEU 30 Ca 0.15 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 55.71 3m76 n LEU 30 Cb 0.17 -0.06 0.32 0.00 -2.33 0.00 0.00 43.42 41.52 3m76 n LEU 30 CO 0.18 0.27 1.22 1.05 -1.33 0.00 0.00 177.39 178.79 3m76 h GLU 31 N 1.23 0.81 0.00 3.23 4.11 -1.47 -0.10 114.58 122.39 3m76 h GLU 31 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 3m76 h GLU 31 Cb 0.60 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3m76 h GLU 31 CO 0.00 0.54 -0.04 -0.91 0.07 0.00 0.00 179.01 178.67 3m76 h ASN 32 N 0.83 0.00 0.10 3.06 2.35 -1.82 -3.02 115.58 117.08 3m76 h ASN 32 Ca 0.33 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.71 3m76 h ASN 32 Cb 0.22 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3m76 h ASN 32 CO -0.11 0.04 -2.20 0.18 -1.65 0.00 0.00 177.43 173.68 3m76 n LEU 33 N -3.17 2.38 -3.52 1.61 4.77 -0.45 -4.85 117.00 113.77 3m76 n LEU 33 Ca -0.00 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 3m76 n LEU 33 Cb 0.29 -0.77 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 3m76 n LEU 33 CO 0.27 0.82 -0.30 0.12 -1.33 0.00 0.00 177.39 176.97 3m76 s PHE 34 N -2.54 1.06 0.50 -1.77 5.36 -0.18 -5.04 117.98 115.37 3m76 s PHE 34 Ca -0.25 -1.87 0.24 0.00 -0.96 0.00 0.00 56.93 54.09 3m76 s PHE 34 Cb 0.08 -1.15 1.32 0.00 -0.34 0.00 0.00 43.02 42.92 3m76 s PHE 34 CO 0.71 -0.82 1.94 -1.35 -1.46 0.00 0.00 175.22 174.25 3m76 h PRO 35 N 6.83 0.12 0.00 10.12 0.11 -1.77 0.31 132.00 147.72 3m76 h PRO 35 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3m76 h PRO 35 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3m76 h PRO 35 CO 0.33 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 3m76 h ALA 36 N 1.66 1.00 -0.05 -0.75 0.00 -1.93 -2.18 119.26 117.02 3m76 h ALA 36 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3m76 h ALA 36 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m76 h ALA 36 CO -0.04 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.25 3m76 h ALA 37 N 2.03 1.83 -0.74 0.00 0.00 -1.24 -2.69 119.26 118.45 3m76 h ALA 37 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m76 h ALA 37 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3m76 h ALA 37 CO 0.00 -0.06 0.41 -0.09 0.00 0.00 0.00 179.25 179.51 3m76 h ARG 38 N 0.00 1.03 -0.51 0.00 9.65 -1.58 0.01 114.38 122.98 3m76 h ARG 38 Ca 0.02 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 3m76 h ARG 38 Cb 0.10 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 3m76 h ARG 38 CO -0.00 0.76 0.17 1.98 2.80 0.00 0.00 179.97 185.68 3m76 h MET 39 N 1.02 0.78 -0.27 0.20 4.05 -1.69 0.19 114.93 119.21 3m76 h MET 39 Ca 0.26 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3m76 h MET 39 Cb 0.02 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 3m76 h MET 39 CO -0.04 0.71 0.17 0.28 0.23 0.00 0.00 176.91 178.26 3m76 h VAL 40 N 0.68 1.09 -0.39 -5.77 2.07 -1.51 -0.36 116.25 112.06 3m76 h VAL 40 Ca 0.17 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3m76 h VAL 40 Cb 0.25 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3m76 h VAL 40 CO -0.01 0.08 0.17 -1.28 0.02 0.00 0.00 177.57 176.55 3m76 h SER 41 N 0.35 0.22 -0.64 0.57 0.87 -0.65 -1.43 113.55 112.83 3m76 h SER 41 Ca 0.10 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3m76 h SER 41 Cb -0.01 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3m76 h SER 41 CO -0.02 0.16 0.31 0.44 -0.53 0.00 0.00 176.83 177.19 3m76 h ASP 42 N 0.35 0.84 -0.16 6.23 3.32 -0.26 0.38 116.42 127.11 3m76 h ASP 42 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3m76 h ASP 42 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3m76 h ASP 42 CO -0.15 0.73 0.06 0.58 -1.72 0.00 0.00 179.24 178.75 3m76 h VAL 43 N 0.88 1.16 -0.96 -1.35 2.07 -0.84 -0.26 116.25 116.95 3m76 h VAL 43 Ca 0.22 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3m76 h VAL 43 Cb 0.12 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3m76 h VAL 43 CO -0.03 0.15 0.63 -0.07 0.02 0.00 0.00 177.57 178.27 3m76 h LEU 44 N 0.11 1.07 -0.49 2.57 3.38 -1.13 -1.63 115.31 119.18 3m76 h LEU 44 Ca 0.05 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3m76 h LEU 44 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3m76 h LEU 44 CO -0.00 0.75 -0.29 1.23 0.09 0.00 0.00 178.44 180.22 3m76 h GLY 45 N 1.25 1.01 0.88 0.83 0.00 -0.56 0.34 103.07 106.81 3m76 h GLY 45 Ca 0.37 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3m76 h GLY 45 CO -0.10 0.85 0.04 -2.22 0.00 0.00 0.00 176.54 175.11 3m76 h ILE 46 N 0.78 1.24 -0.32 2.60 2.04 -0.86 -0.87 117.51 122.12 3m76 h ILE 46 Ca 0.09 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3m76 h ILE 46 Cb 0.86 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3m76 h ILE 46 CO 0.08 0.27 0.15 0.58 0.00 0.00 0.00 178.15 179.22 3m76 h VAL 47 N 0.31 1.16 -0.61 1.67 2.07 -1.21 -0.43 116.25 119.21 3m76 h VAL 47 Ca 0.09 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3m76 h VAL 47 Cb 0.35 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3m76 h VAL 47 CO 0.01 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.17 3m76 h ALA 48 N 1.00 0.78 -0.70 1.67 0.00 -0.91 -0.84 119.26 120.27 3m76 h ALA 48 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3m76 h ALA 48 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3m76 h ALA 48 CO -0.01 0.18 0.26 0.77 0.00 0.00 0.00 179.25 180.46 3m76 h SER 49 N 0.81 0.97 -0.48 0.00 0.02 -0.94 -0.10 113.55 113.83 3m76 h SER 49 Ca 0.23 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3m76 h SER 49 Cb -0.07 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3m76 h SER 49 CO -0.06 0.89 0.22 0.00 -1.14 0.00 0.00 176.83 176.73 3m76 h ALA 50 N 1.12 0.62 -0.53 3.77 0.00 -0.71 -0.40 119.26 123.13 3m76 h ALA 50 Ca 0.23 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3m76 h ALA 50 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3m76 h ALA 50 CO -0.02 0.20 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 3m76 h VAL 51 N 0.63 1.27 -0.44 0.00 2.07 -0.98 -1.97 116.25 116.83 3m76 h VAL 51 Ca 0.16 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3m76 h VAL 51 Cb 0.15 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3m76 h VAL 51 CO -0.02 0.40 0.19 -0.25 0.02 0.00 0.00 177.57 177.92 3m76 h TRP 52 N 0.82 0.35 -0.34 1.57 7.01 -0.85 0.32 115.95 124.83 3m76 h TRP 52 Ca 0.15 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.20 3m76 h TRP 52 Cb 0.56 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 3m76 h TRP 52 CO 0.04 0.16 0.14 0.82 -2.79 0.00 0.00 178.44 176.81 3m76 h ILE 53 N 0.39 0.93 -0.28 2.65 2.04 -0.81 0.23 117.51 122.66 3m76 h ILE 53 Ca 0.19 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3m76 h ILE 53 Cb 0.14 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3m76 h ILE 53 CO -0.16 0.05 0.18 0.25 0.00 0.00 0.00 178.15 178.48 3m76 h LEU 54 N 0.29 0.32 -0.58 1.44 5.85 -1.00 -1.32 115.31 120.31 3m76 h LEU 54 Ca 0.15 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3m76 h LEU 54 Cb 0.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3m76 h LEU 54 CO -0.14 0.23 -0.67 -0.26 -0.34 0.00 0.00 178.44 177.26 3m76 h PHE 55 N 0.38 0.22 -0.50 1.25 -1.00 -0.41 -0.67 116.94 116.21 3m76 h PHE 55 Ca 0.10 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3m76 h PHE 55 Cb -0.04 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3m76 h PHE 55 CO -0.06 0.79 0.29 0.82 -1.61 0.00 0.00 178.31 178.54 3m76 h ILE 56 N 0.12 1.16 -0.67 -0.55 1.08 -0.40 0.14 117.51 118.39 3m76 h ILE 56 Ca -0.01 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 3m76 h ILE 56 Cb 1.20 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 3m76 h ILE 56 CO 0.10 0.17 0.25 -0.07 -0.69 0.00 0.00 178.15 177.91 3m76 h LEU 57 N 0.67 0.94 -0.77 1.44 3.38 -0.95 0.23 115.31 120.25 3m76 h LEU 57 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3m76 h LEU 57 Cb 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3m76 h LEU 57 CO -0.03 0.86 0.39 0.24 0.09 0.00 0.00 178.44 179.99 3m76 h MET 58 N 0.95 1.10 -0.11 1.13 2.86 -0.85 -1.14 114.93 118.88 3m76 h MET 58 Ca 0.22 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 3m76 h MET 58 Cb 0.23 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3m76 h MET 58 CO -0.02 0.84 -0.50 -0.92 1.06 0.00 0.00 176.91 177.38 3m76 h TYR 59 N 1.08 0.36 -0.67 -0.22 3.20 -0.63 -0.53 116.97 119.56 3m76 h TYR 59 Ca 0.27 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3m76 h TYR 59 Cb 0.09 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3m76 h TYR 59 CO 0.01 0.74 0.26 0.00 -1.64 0.00 0.00 178.16 177.52 3m76 h ALA 60 N 1.24 1.19 -0.62 1.82 0.00 -0.66 0.02 119.26 122.25 3m76 h ALA 60 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3m76 h ALA 60 Cb 0.96 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3m76 h ALA 60 CO 0.08 0.58 0.08 -0.92 0.00 0.00 0.00 179.25 179.07 3m76 h TYR 61 N 0.97 1.12 -0.54 0.00 3.20 -0.76 -1.27 116.97 119.70 3m76 h TYR 61 Ca 0.23 -0.17 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3m76 h TYR 61 Cb 0.20 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3m76 h TYR 61 CO 0.02 0.96 0.34 -0.22 -1.64 0.00 0.00 178.16 177.62 3m76 h LYS 62 N 0.96 0.66 -0.65 1.82 3.64 -0.47 -0.01 116.57 122.52 3m76 h LYS 62 Ca 0.19 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3m76 h LYS 62 Cb 0.47 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3m76 h LYS 62 CO 0.02 0.44 0.14 -0.07 -2.27 0.00 0.00 179.45 177.71 3m76 h LEU 63 N 0.68 0.97 -0.07 5.20 3.38 -0.69 0.45 115.31 125.24 3m76 h LEU 63 Ca 0.21 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3m76 h LEU 63 Cb -0.03 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.47 3m76 h LEU 63 CO -0.07 0.95 -0.71 -0.09 0.09 0.00 0.00 178.44 178.61 3m76 h ARG 64 N 0.98 0.60 0.00 1.13 9.65 -0.96 -3.34 114.38 122.44 3m76 h ARG 64 Ca 0.20 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3m76 h ARG 64 Cb 0.37 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3m76 h ARG 64 CO 0.00 1.17 -0.12 0.66 2.80 0.00 0.00 179.97 184.49 3m76 n TYR 65 N -4.08 0.00 -2.41 2.20 4.01 -0.04 -4.65 117.16 112.20 3m76 n TYR 65 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 3m76 n TYR 65 Cb 0.71 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.79 3m76 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m76 n TYR 66 N -1.06 1.82 -0.20 -0.72 4.01 0.16 -4.94 117.16 116.21 3m76 n TYR 66 Ca 0.00 -2.08 0.02 0.00 -0.16 0.00 0.00 57.90 55.69 3m76 n TYR 66 Cb 0.04 -0.28 0.28 0.00 -0.31 0.00 0.00 39.34 39.07 3m76 n TYR 66 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m76 h PHE 67 N 2.28 0.89 0.00 -0.72 3.57 -1.61 -0.79 116.94 120.56 3m76 h PHE 67 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3m76 h PHE 67 Cb 1.41 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 3m76 h PHE 67 CO 0.65 0.54 -0.10 0.93 -2.23 0.00 0.00 178.31 178.11 3m76 h GLU 68 N 0.94 0.00 -0.45 1.11 4.39 -1.92 0.67 114.58 119.33 3m76 h GLU 68 Ca 0.28 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.84 3m76 h GLU 68 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3m76 h GLU 68 CO -0.07 0.10 -0.27 0.93 -1.16 0.00 0.00 179.01 178.53 3m76 h GLU 69 N 0.00 0.97 -0.39 2.33 5.08 -1.50 -1.47 114.58 119.60 3m76 h GLU 69 Ca -0.00 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 3m76 h GLU 69 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3m76 h GLU 69 CO 0.01 1.12 0.01 0.28 -1.00 0.00 0.00 179.01 179.42 3m76 h VAL 70 N 0.83 1.26 -0.65 3.13 2.07 -1.17 -2.03 116.25 119.69 3m76 h VAL 70 Ca 0.09 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3m76 h VAL 70 Cb 0.86 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3m76 h VAL 70 CO 0.08 0.34 0.40 -0.09 0.02 0.00 0.00 177.57 178.31 3m76 h ARG 71 N 0.52 0.76 -0.53 1.57 2.43 -0.81 0.71 114.38 119.04 3m76 h ARG 71 Ca 0.11 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3m76 h ARG 71 Cb 0.46 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3m76 h ARG 71 CO 0.02 0.51 -0.07 0.00 -1.51 0.00 0.00 179.97 178.91 3m76 h ALA 72 N 1.28 0.86 -0.56 2.80 0.00 -1.16 -1.40 119.26 121.08 3m76 h ALA 72 Ca 0.26 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3m76 h ALA 72 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3m76 h ALA 72 CO -0.11 0.65 -0.06 1.05 0.00 0.00 0.00 179.25 180.78 3m76 h GLU 73 N 0.87 1.03 -0.38 0.00 4.11 -0.85 -1.95 114.58 117.41 3m76 h GLU 73 Ca 0.15 -0.36 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 3m76 h GLU 73 Cb 0.61 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3m76 h GLU 73 CO 0.04 1.05 0.23 -0.92 0.07 0.00 0.00 179.01 179.48 3m76 h TYR 74 N 0.93 0.49 0.00 2.06 3.20 -0.63 -1.91 116.97 121.11 3m76 h TYR 74 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3m76 h TYR 74 Cb 0.62 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3m76 h TYR 74 CO 0.04 0.34 -0.06 0.72 -1.64 0.00 0.00 178.16 177.56 3m76 n HIS 75 N -4.80 0.70 -2.04 -3.82 8.25 -0.55 -4.55 115.22 108.42 3m76 n HIS 75 Ca -0.00 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 3m76 n HIS 75 Cb 0.04 -0.82 -0.03 0.00 1.12 0.00 0.00 29.99 30.31 3m76 n HIS 75 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3m76 s SER 76 N -4.18 6.69 0.00 0.41 0.15 -0.74 -4.89 113.70 111.14 3m76 s SER 76 Ca 0.11 2.59 0.23 0.00 0.70 0.00 0.00 55.95 59.58 3m76 s SER 76 Cb 0.14 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.98 3m76 s SER 76 CO 0.60 -0.70 1.74 -0.81 1.20 0.00 0.00 173.24 175.27 3m76 n PRO 77 N 2.84 0.31 -0.08 5.44 -0.04 -1.26 -2.58 135.00 139.63 3m76 n PRO 77 Ca 0.08 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 3m76 n PRO 77 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 3m76 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m76 n VAL 78 N -1.29 1.10 0.40 0.52 0.31 -1.26 -4.77 118.33 113.33 3m76 n VAL 78 Ca 0.11 -0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.45 3m76 n VAL 78 Cb 0.18 -1.84 0.50 0.00 -0.91 0.00 0.00 33.84 31.78 3m76 n VAL 78 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m76 h ARG 79 N -0.64 0.00 -0.34 5.55 3.08 -1.77 -3.13 114.38 117.13 3m76 h ARG 79 Ca -0.33 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.75 3m76 h ARG 79 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3m76 h ARG 79 CO -0.20 0.00 0.23 0.27 -1.07 0.00 0.00 179.97 179.20 3m76 h PHE 80 N 0.00 0.34 -0.52 3.04 -5.15 -1.08 -2.88 116.94 110.69 3m76 h PHE 80 Ca 0.00 0.01 0.05 0.00 -0.20 0.00 0.00 57.97 57.83 3m76 h PHE 80 Cb 0.52 -0.11 -0.03 0.00 0.22 0.00 0.00 35.95 36.54 3m76 h PHE 80 CO 0.00 0.20 0.35 0.77 -2.00 0.00 0.00 178.31 177.62 3m76 h SER 81 N 0.35 0.45 0.48 -0.68 0.02 -1.84 -1.96 113.55 110.37 3m76 h SER 81 Ca 0.14 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3m76 h SER 81 Cb 0.11 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3m76 h SER 81 CO -0.03 0.30 -0.12 -0.26 -1.14 0.00 0.00 176.83 175.58 3m76 h PHE 82 N 0.52 0.00 -0.43 3.45 0.04 -1.76 -1.36 116.94 117.41 3m76 h PHE 82 Ca 0.22 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.08 3m76 h PHE 82 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3m76 h PHE 82 CO -0.00 0.12 0.30 0.82 -0.60 0.00 0.00 178.31 178.95 3m76 h ILE 83 N 0.00 0.86 0.00 -0.55 2.04 -1.54 -0.89 117.51 117.42 3m76 h ILE 83 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3m76 h ILE 83 Cb 0.39 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3m76 h ILE 83 CO 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.18 3m76 h ALA 84 N 1.78 1.06 -0.11 1.87 0.00 -1.41 -1.10 119.26 121.36 3m76 h ALA 84 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3m76 h ALA 84 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3m76 h ALA 84 CO -0.03 0.02 0.11 -0.07 0.00 0.00 0.00 179.25 179.28 3m76 h LEU 85 N 0.00 0.00 0.41 0.00 3.38 -1.32 -2.27 115.31 115.50 3m76 h LEU 85 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m76 h LEU 85 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3m76 h LEU 85 CO 0.00 0.00 -0.19 0.40 0.09 0.00 0.00 178.44 178.74 3m76 h ILE 86 N 0.00 0.43 -0.12 1.22 2.04 -1.37 -0.70 117.51 119.02 3m76 h ILE 86 Ca 0.05 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3m76 h ILE 86 Cb 0.27 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3m76 h ILE 86 CO -0.00 0.08 -0.23 1.55 0.00 0.00 0.00 178.15 179.55 3m76 h PRO 87 N -0.96 0.20 0.15 2.37 0.13 -1.71 -1.51 132.00 130.68 3m76 h PRO 87 Ca -0.06 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3m76 h PRO 87 Cb 0.55 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3m76 h PRO 87 CO 0.09 0.43 -0.07 0.82 -0.23 0.00 0.00 178.00 179.04 3m76 h ILE 88 N 0.19 0.86 -0.66 -3.56 2.04 -1.38 -1.51 117.51 113.48 3m76 h ILE 88 Ca 0.03 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3m76 h ILE 88 Cb 0.52 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3m76 h ILE 88 CO 0.04 0.00 0.26 0.74 0.00 0.00 0.00 178.15 179.19 3m76 h THR 89 N -0.20 1.23 -0.54 -0.27 2.02 -0.95 -1.79 112.91 112.40 3m76 h THR 89 Ca -0.02 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.46 3m76 h THR 89 Cb 0.15 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3m76 h THR 89 CO 0.03 0.29 0.32 0.74 0.37 0.00 0.00 175.52 177.28 3m76 h THR 90 N 0.96 1.05 -0.51 3.16 2.02 -1.04 -0.06 112.91 118.49 3m76 h THR 90 Ca 0.22 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3m76 h THR 90 Cb 0.19 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3m76 h THR 90 CO -0.02 0.12 0.05 0.24 0.37 0.00 0.00 175.52 176.28 3m76 h MET 91 N 0.64 0.86 -0.56 6.66 2.07 -0.86 -1.18 114.93 122.57 3m76 h MET 91 Ca 0.22 -0.25 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 3m76 h MET 91 Cb 0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.65 3m76 h MET 91 CO -0.10 0.87 -0.02 -0.07 1.07 0.00 0.00 176.91 178.66 3m76 h LEU 92 N 0.73 0.95 -0.79 1.22 3.38 -0.94 0.55 115.31 120.41 3m76 h LEU 92 Ca 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3m76 h LEU 92 Cb 0.45 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3m76 h LEU 92 CO 0.02 1.01 0.39 0.58 0.09 0.00 0.00 178.44 180.53 3m76 h VAL 93 N 0.89 1.25 -0.66 1.22 2.07 -0.92 -1.04 116.25 119.05 3m76 h VAL 93 Ca 0.16 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3m76 h VAL 93 Cb 0.55 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3m76 h VAL 93 CO 0.03 0.29 0.34 1.23 0.02 0.00 0.00 177.57 179.48 3m76 h GLY 94 N 1.11 0.97 1.02 2.17 0.00 -0.51 0.05 103.07 107.88 3m76 h GLY 94 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3m76 h GLY 94 CO -0.04 0.11 0.52 -0.55 0.00 0.00 0.00 176.54 176.58 3m76 h ASP 95 N 0.62 1.07 0.23 0.19 3.32 -0.35 -0.81 116.42 120.68 3m76 h ASP 95 Ca 0.31 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3m76 h ASP 95 Cb 0.26 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3m76 h ASP 95 CO -0.22 0.83 -0.11 0.40 -1.72 0.00 0.00 179.24 178.42 3m76 h ILE 96 N 1.22 0.78 0.00 0.35 2.04 -0.69 -3.12 117.51 118.09 3m76 h ILE 96 Ca 0.32 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 3m76 h ILE 96 Cb -0.04 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3m76 h ILE 96 CO -0.06 0.01 -0.04 -0.07 0.00 0.00 0.00 178.15 177.99 3m76 h LEU 97 N -0.32 0.00 -1.83 1.44 3.38 -0.45 -2.72 115.31 114.81 3m76 h LEU 97 Ca -0.03 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.15 3m76 h LEU 97 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3m76 h LEU 97 CO 0.05 0.04 0.56 0.22 0.09 0.00 0.00 178.44 179.40 3m76 h TYR 98 N 0.00 0.19 0.00 1.13 3.20 -1.09 0.17 116.97 120.56 3m76 h TYR 98 Ca -0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3m76 h TYR 98 Cb 0.33 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3m76 h TYR 98 CO 0.00 0.05 -0.11 0.07 -1.64 0.00 0.00 178.16 176.54 3m76 h ARG 99 N 0.14 0.00 0.00 1.82 0.11 -1.66 -3.28 114.38 111.51 3m76 h ARG 99 Ca 0.39 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.28 3m76 h ARG 99 Cb 1.34 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.38 3m76 h ARG 99 CO -0.06 0.11 -1.71 0.91 0.10 0.00 0.00 179.97 179.31 3m76 n TRP 100 N -3.41 0.00 -3.14 4.08 8.01 0.16 -4.97 117.44 118.17 3m76 n TRP 100 Ca -0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 3m76 n TRP 100 Cb 0.28 -0.50 -0.03 0.00 -2.01 0.00 0.00 31.31 29.05 3m76 n TRP 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3m76 s ASN 101 N -4.60 -0.68 0.55 -0.99 3.84 0.36 -5.03 114.94 108.40 3m76 s ASN 101 Ca -0.09 -1.38 0.24 0.00 0.21 0.00 0.00 52.86 51.83 3m76 s ASN 101 Cb 0.04 1.45 1.46 0.00 -0.55 0.00 0.00 41.25 43.65 3m76 s ASN 101 CO 0.38 -0.16 2.09 -0.65 -2.79 0.00 0.00 177.10 175.97 3m76 h PRO 102 N 6.40 0.00 -0.04 0.43 0.11 -1.77 -1.71 132.00 135.41 3m76 h PRO 102 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3m76 h PRO 102 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m76 h PRO 102 CO 0.12 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.77 3m76 h LEU 103 N 0.00 0.13 -0.62 2.35 3.38 -1.94 -1.23 115.31 117.38 3m76 h LEU 103 Ca 0.11 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 3m76 h LEU 103 Cb 0.49 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3m76 h LEU 103 CO -0.00 0.64 0.20 0.40 0.09 0.00 0.00 178.44 179.78 3m76 h ILE 104 N -0.37 1.24 -0.45 1.22 2.04 -1.90 -2.28 117.51 117.01 3m76 h ILE 104 Ca 0.00 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.12 3m76 h ILE 104 Cb 0.61 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3m76 h ILE 104 CO 0.02 0.31 0.07 0.00 0.00 0.00 0.00 178.15 178.55 3m76 h ALA 105 N 1.07 0.48 -0.60 1.87 0.00 -1.28 -1.95 119.26 118.84 3m76 h ALA 105 Ca 0.20 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3m76 h ALA 105 Cb 0.28 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3m76 h ALA 105 CO -0.01 -0.33 0.15 1.49 0.00 0.00 0.00 179.25 180.56 3m76 h GLU 106 N 0.20 0.94 -0.19 0.00 4.81 -0.86 -0.06 114.58 119.42 3m76 h GLU 106 Ca 0.22 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3m76 h GLU 106 Cb 0.29 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3m76 h GLU 106 CO -0.30 0.83 0.12 0.28 -0.73 0.00 0.00 179.01 179.21 3m76 h VAL 107 N 0.90 1.07 -0.77 0.32 2.07 -0.84 -1.28 116.25 117.71 3m76 h VAL 107 Ca 0.19 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3m76 h VAL 107 Cb 0.31 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3m76 h VAL 107 CO -0.00 0.07 0.42 -0.07 0.02 0.00 0.00 177.57 178.01 3m76 h LEU 108 N 0.23 0.97 -0.58 2.57 3.38 -0.95 -0.89 115.31 120.04 3m76 h LEU 108 Ca 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3m76 h LEU 108 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3m76 h LEU 108 CO -0.01 0.79 0.23 0.40 0.09 0.00 0.00 178.44 179.94 3m76 h ILE 109 N 1.07 1.23 -0.27 1.22 2.04 -0.75 -0.74 117.51 121.31 3m76 h ILE 109 Ca 0.27 -0.71 -0.17 0.00 1.00 0.00 0.00 64.86 65.25 3m76 h ILE 109 Cb 0.04 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3m76 h ILE 109 CO -0.04 0.27 -0.50 -0.50 0.00 0.00 0.00 178.15 177.38 3m76 h TRP 110 N 0.80 0.93 -0.41 1.37 4.06 -1.03 -0.54 115.95 121.14 3m76 h TRP 110 Ca 0.19 -0.32 0.01 0.00 2.06 0.00 0.00 58.89 60.83 3m76 h TRP 110 Cb 0.21 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3m76 h TRP 110 CO 0.01 1.10 0.26 0.82 -3.56 0.00 0.00 178.44 177.08 3m76 h ILE 111 N 0.59 1.09 -0.36 1.49 2.04 -1.02 0.37 117.51 121.72 3m76 h ILE 111 Ca 0.02 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3m76 h ILE 111 Cb 1.08 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3m76 h ILE 111 CO 0.11 0.10 -0.23 1.23 0.00 0.00 0.00 178.15 179.35 3m76 h GLY 112 N 0.54 0.76 0.51 5.37 0.00 -1.02 0.10 103.07 109.34 3m76 h GLY 112 Ca 0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3m76 h GLY 112 CO -0.04 0.59 -0.01 -0.84 0.00 0.00 0.00 176.54 176.24 3m76 h THR 113 N 0.62 1.39 -0.69 4.70 2.02 -0.84 -0.61 112.91 119.51 3m76 h THR 113 Ca 0.09 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3m76 h THR 113 Cb 0.72 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 3m76 h THR 113 CO 0.06 0.30 0.31 0.40 0.37 0.00 0.00 175.52 176.96 3m76 h ILE 114 N -0.48 1.23 -0.38 3.11 2.04 -0.95 -1.74 117.51 120.35 3m76 h ILE 114 Ca 0.00 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3m76 h ILE 114 Cb 0.50 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3m76 h ILE 114 CO 0.00 0.28 0.13 1.23 0.00 0.00 0.00 178.15 179.79 3m76 h GLY 115 N 0.96 0.63 1.43 5.37 0.00 -0.96 -0.18 103.07 110.33 3m76 h GLY 115 Ca 0.23 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3m76 h GLY 115 CO -0.03 0.34 -0.38 0.06 0.00 0.00 0.00 176.54 176.53 3m76 h GLN 116 N 0.47 0.63 -0.34 4.80 -0.00 -0.97 -0.71 115.11 118.99 3m76 h GLN 116 Ca 0.12 -0.32 -0.08 0.00 -0.00 0.00 0.00 58.65 58.38 3m76 h GLN 116 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.71 3m76 h GLN 116 CO -0.01 0.91 -0.09 1.25 -0.00 0.00 0.00 178.83 180.90 3m76 h LEU 117 N 0.52 0.67 -0.51 0.06 5.85 -1.16 -1.08 115.31 119.66 3m76 h LEU 117 Ca 0.05 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3m76 h LEU 117 Cb 0.90 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3m76 h LEU 117 CO 0.08 0.88 0.31 0.25 -0.34 0.00 0.00 178.44 179.62 3m76 h LEU 118 N 0.45 0.61 -0.16 2.25 5.85 -0.93 -0.58 115.31 122.79 3m76 h LEU 118 Ca 0.09 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3m76 h LEU 118 Cb 0.59 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3m76 h LEU 118 CO 0.03 0.49 -0.10 0.15 -0.34 0.00 0.00 178.44 178.68 3m76 h PHE 119 N 0.68 -0.24 -0.31 1.25 3.57 -0.89 0.12 116.94 121.13 3m76 h PHE 119 Ca 0.18 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 3m76 h PHE 119 Cb -0.01 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3m76 h PHE 119 CO -0.03 -0.15 -0.36 1.03 -2.23 0.00 0.00 178.31 176.57 3m76 h SER 120 N -0.09 0.85 -0.78 0.41 0.87 -1.11 0.01 113.55 113.71 3m76 h SER 120 Ca 0.10 -0.49 0.03 0.00 -1.23 0.00 0.00 61.79 60.20 3m76 h SER 120 Cb 0.23 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3m76 h SER 120 CO -0.22 1.17 0.52 0.74 -0.53 0.00 0.00 176.83 178.50 3m76 h THR 121 N 0.56 1.12 0.04 2.23 2.02 -0.90 0.59 112.91 118.57 3m76 h THR 121 Ca 0.04 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 3m76 h THR 121 Cb 0.95 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3m76 h THR 121 CO 0.09 0.17 -0.56 -0.07 0.37 0.00 0.00 175.52 175.52 3m76 h LEU 122 N 0.96 0.42 0.00 2.58 3.38 -0.75 -3.38 115.31 118.52 3m76 h LEU 122 Ca 0.31 -0.84 -0.41 0.00 0.09 0.00 0.00 57.88 57.04 3m76 h LEU 122 Cb 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3m76 h LEU 122 CO -0.09 1.21 -2.47 -1.14 0.09 0.00 0.00 178.44 176.04 3m76 n ARG 123 N -4.27 0.64 -0.10 1.13 3.00 -0.03 -3.58 116.66 113.44 3m76 n ARG 123 Ca -0.11 0.19 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 3m76 n ARG 123 Cb 0.67 -1.52 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 3m76 n ARG 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3m76 h VAL 124 N -0.26 1.24 -0.57 5.15 2.07 -1.04 -2.85 116.25 119.99 3m76 h VAL 124 Ca -0.60 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 3m76 h VAL 124 Cb 1.83 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3m76 h VAL 124 CO -0.17 0.28 0.22 0.77 0.02 0.00 0.00 177.57 178.68 3m76 h SER 125 N 0.33 0.76 0.00 0.57 4.64 -1.71 -2.81 113.55 115.35 3m76 h SER 125 Ca 0.09 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3m76 h SER 125 Cb 0.37 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3m76 h SER 125 CO 0.01 0.69 -0.00 -0.08 -0.87 0.00 0.00 176.83 176.58 3m76 h GLU 126 N 0.82 0.00 -0.52 4.77 4.81 -1.56 -0.48 114.58 122.42 3m76 h GLU 126 Ca 0.19 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3m76 h GLU 126 Cb 0.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3m76 h GLU 126 CO -0.02 0.00 0.36 -0.07 -0.73 0.00 0.00 179.01 178.55 3m76 h LEU 127 N 0.00 0.27 0.00 1.64 3.38 -1.42 -1.66 115.31 117.53 3m76 h LEU 127 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m76 h LEU 127 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3m76 h LEU 127 CO 0.00 0.16 0.00 0.79 0.09 0.00 0.00 178.44 179.48 3m76 n TRP 128 N -4.46 0.00 0.37 1.13 7.02 -0.19 -1.81 117.44 119.50 3m76 n TRP 128 Ca 0.08 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.70 3m76 n TRP 128 Cb 0.38 -0.32 0.51 0.00 -2.42 0.00 0.00 31.31 29.46 3m76 n TRP 128 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3m76 h GLN 129 N 0.00 0.00 -0.10 -0.99 4.20 -1.46 -3.49 115.11 113.27 3m76 h GLN 129 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3m76 h GLN 129 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3m76 h GLN 129 CO 0.00 0.00 -0.03 0.41 -0.67 0.00 0.00 178.83 178.54 3m76 n GLY 130 N 0.31 -2.48 2.36 3.46 0.00 -0.75 -4.96 105.19 103.13 3m76 n GLY 130 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3m76 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m76 n GLY 131 N -2.19 1.71 0.64 -0.02 0.00 -1.26 -4.79 105.19 99.27 3m76 n GLY 131 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3m76 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m76 n VAL 132 N -2.00 1.33 -1.88 1.61 0.31 -1.26 -4.98 118.33 111.47 3m76 n VAL 132 Ca 0.00 0.29 -0.41 0.00 -0.01 0.00 0.00 64.34 64.21 3m76 n VAL 132 Cb 0.00 -1.91 -0.01 0.00 -0.91 0.00 0.00 33.84 31.01 3m76 n VAL 132 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3m76 s PHE 133 N -2.37 2.78 0.37 3.52 5.36 -1.26 -4.87 117.98 121.51 3m76 s PHE 133 Ca -0.12 1.05 0.06 0.00 -0.96 0.00 0.00 56.93 56.96 3m76 s PHE 133 Cb 0.02 -3.95 -0.07 0.00 -0.34 0.00 0.00 43.02 38.67 3m76 s PHE 133 CO 0.18 -2.97 0.02 -1.21 -1.46 0.00 0.00 175.22 169.79 3m76 s GLU 134 N -1.24 1.83 0.27 10.12 2.02 -1.26 -5.00 118.70 125.44 3m76 s GLU 134 Ca 0.57 -2.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.53 3m76 s GLU 134 Cb -0.45 -1.33 0.52 0.00 0.10 0.00 0.00 34.13 32.96 3m76 s GLU 134 CO 0.53 -0.09 1.82 0.37 0.02 0.00 0.00 175.26 177.90 3m76 h GLN 135 N 1.92 0.86 0.00 1.61 5.75 -2.01 0.12 115.11 123.35 3m76 h GLN 135 Ca -0.43 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3m76 h GLN 135 Cb 1.24 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.60 3m76 h GLN 135 CO 0.76 0.57 0.00 0.36 -2.65 0.00 0.00 178.83 177.87 3m76 n LYS 136 N -4.69 0.07 0.00 1.69 2.85 -1.26 -1.99 118.16 114.83 3m76 n LYS 136 Ca 0.18 0.27 0.15 0.00 -1.05 0.00 0.00 58.31 57.86 3m76 n LYS 136 Cb 0.36 -1.50 0.73 0.00 -0.65 0.00 0.00 35.03 33.97 3m76 n LYS 136 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3m76 n SER 137 N -1.39 0.43 -4.56 -5.58 7.64 0.41 -4.74 113.62 105.84 3m76 n SER 137 Ca 0.03 -0.84 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 3m76 n SER 137 Cb 0.09 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 3m76 n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3m76 s THR 138 N -2.23 4.08 0.19 0.44 2.01 -0.84 -4.77 115.64 114.51 3m76 s THR 138 Ca 0.37 -1.29 0.11 0.00 0.31 0.00 0.00 61.69 61.20 3m76 s THR 138 Cb 0.21 -5.09 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 3m76 s THR 138 CO 0.41 -1.94 -0.24 -1.00 -0.69 0.00 0.00 174.62 171.16 3m76 s HIS 139 N 4.46 2.31 0.55 4.92 3.76 -1.26 -4.88 115.29 125.16 3m76 s HIS 139 Ca 0.48 -0.36 0.25 0.00 -0.15 0.00 0.00 55.06 55.28 3m76 s HIS 139 Cb 0.01 -1.15 1.48 0.00 1.11 0.00 0.00 32.58 34.03 3m76 s HIS 139 CO -0.03 0.49 2.06 -1.35 -0.85 0.00 0.00 174.74 175.05 3m76 h PRO 140 N 3.25 0.00 -0.09 8.40 0.11 -1.92 -2.07 132.00 139.69 3m76 h PRO 140 Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3m76 h PRO 140 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3m76 h PRO 140 CO 0.47 0.00 0.11 0.66 -0.21 0.00 0.00 178.00 179.03 3m76 h SER 141 N 0.00 0.00 -0.14 -2.05 4.64 -1.94 -1.07 113.55 112.99 3m76 h SER 141 Ca 0.14 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3m76 h SER 141 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3m76 h SER 141 CO -0.00 0.00 0.15 0.15 -0.87 0.00 0.00 176.83 176.26 3m76 h PHE 142 N 0.00 0.00 -0.19 4.77 3.57 -1.71 -0.31 116.94 123.07 3m76 h PHE 142 Ca 0.04 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3m76 h PHE 142 Cb 0.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3m76 h PHE 142 CO 0.00 0.00 0.17 1.88 -2.23 0.00 0.00 178.31 178.13 3m76 h TYR 143 N 0.00 0.00 0.58 0.41 0.05 -1.41 -2.91 116.97 113.69 3m76 h TYR 143 Ca 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 3m76 h TYR 143 Cb 0.36 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.11 3m76 h TYR 143 CO 0.00 0.00 -0.28 -0.07 -1.05 0.00 0.00 178.16 176.76 3m76 h LEU 144 N 0.00 -0.66 -0.43 3.88 3.38 -1.25 0.67 115.31 120.89 3m76 h LEU 144 Ca 0.09 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3m76 h LEU 144 Cb 0.43 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3m76 h LEU 144 CO -0.00 -0.40 -0.78 1.55 0.09 0.00 0.00 178.44 178.91 3m76 h PRO 145 N -0.90 0.16 0.00 1.13 0.13 -1.75 -1.61 132.00 129.16 3m76 h PRO 145 Ca -0.08 -0.15 -0.22 0.00 -0.87 0.00 0.00 66.00 64.68 3m76 h PRO 145 Cb 0.64 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 3m76 h PRO 145 CO 0.13 0.86 -1.14 0.00 -0.23 0.00 0.00 178.00 177.62 3m76 h ALA 146 N 1.10 0.50 0.00 -0.56 0.00 -1.51 -3.40 119.26 115.38 3m76 h ALA 146 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3m76 h ALA 146 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3m76 h ALA 146 CO 0.11 1.25 0.00 0.28 0.00 0.00 0.00 179.25 180.89 3m76 n VAL 147 N -3.24 0.47 -0.32 0.00 0.31 -0.36 -4.61 118.33 110.59 3m76 n VAL 147 Ca -0.04 0.16 -0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3m76 n VAL 147 Cb 0.94 -0.97 0.13 0.00 -0.91 0.00 0.00 33.84 33.03 3m76 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m76 h ALA 148 N 0.00 1.17 -0.90 3.52 0.00 -0.94 -1.80 119.26 120.31 3m76 h ALA 148 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m76 h ALA 148 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3m76 h ALA 148 CO 0.00 0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.11 3m76 h ALA 149 N 1.39 1.15 -0.40 0.00 0.00 -1.51 -1.00 119.26 118.89 3m76 h ALA 149 Ca 0.37 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3m76 h ALA 149 Cb 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3m76 h ALA 149 CO -0.15 0.63 -0.22 -0.91 0.00 0.00 0.00 179.25 178.60 3m76 h ASN 150 N 1.25 0.88 -0.93 0.00 2.35 -1.65 -1.40 115.58 116.07 3m76 h ASN 150 Ca 0.32 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3m76 h ASN 150 Cb -0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 3m76 h ASN 150 CO -0.06 1.10 0.55 -0.26 -1.65 0.00 0.00 177.43 177.12 3m76 h PHE 151 N 0.66 1.24 -0.37 1.19 0.04 -1.08 -0.59 116.94 118.03 3m76 h PHE 151 Ca 0.08 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 3m76 h PHE 151 Cb 0.78 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3m76 h PHE 151 CO 0.06 0.83 -0.10 1.15 -0.60 0.00 0.00 178.31 179.65 3m76 h THR 152 N 1.29 1.28 -0.91 -1.55 2.02 -1.02 -1.57 112.91 112.46 3m76 h THR 152 Ca 0.33 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.37 3m76 h THR 152 Cb -0.04 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 3m76 h THR 152 CO -0.06 0.39 0.58 0.28 0.37 0.00 0.00 175.52 177.08 3m76 h SER 153 N 0.52 0.96 -0.03 4.18 0.02 -1.03 -0.86 113.55 117.31 3m76 h SER 153 Ca 0.09 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3m76 h SER 153 Cb 0.62 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3m76 h SER 153 CO 0.04 0.65 -0.05 0.00 -1.14 0.00 0.00 176.83 176.33 3m76 h ALA 154 N 1.38 -0.02 -0.37 3.77 0.00 -0.65 0.28 119.26 123.65 3m76 h ALA 154 Ca 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3m76 h ALA 154 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m76 h ALA 154 CO -0.13 -0.53 0.22 0.77 0.00 0.00 0.00 179.25 179.58 3m76 h SER 155 N -0.07 0.45 -0.28 0.00 0.02 -1.12 -1.95 113.55 110.61 3m76 h SER 155 Ca 0.03 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 3m76 h SER 155 Cb 0.11 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m76 h SER 155 CO -0.07 0.39 -0.46 0.28 -1.14 0.00 0.00 176.83 175.83 3m76 h SER 156 N 0.48 0.93 -0.25 3.07 0.02 -0.93 -1.75 113.55 115.12 3m76 h SER 156 Ca 0.13 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 3m76 h SER 156 Cb 0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3m76 h SER 156 CO -0.02 1.24 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.69 3m76 h LEU 157 N 0.68 0.66 -0.87 5.07 3.38 -0.91 -2.65 115.31 120.68 3m76 h LEU 157 Ca 0.04 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3m76 h LEU 157 Cb 1.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3m76 h LEU 157 CO 0.10 0.82 0.09 0.00 0.09 0.00 0.00 178.44 179.55 3m76 h ALA 158 N 1.24 1.07 -0.86 1.53 0.00 -1.13 0.15 119.26 121.26 3m76 h ALA 158 Ca 0.10 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3m76 h ALA 158 Cb 0.59 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3m76 h ALA 158 CO 0.04 0.60 0.56 1.25 0.00 0.00 0.00 179.25 181.71 3m76 h LEU 159 N 0.88 0.87 0.00 0.00 5.85 -0.98 -0.01 115.31 121.92 3m76 h LEU 159 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3m76 h LEU 159 Cb 0.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3m76 h LEU 159 CO 0.01 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 3m76 n LEU 160 N -4.48 0.00 0.00 2.25 4.77 -0.80 -4.90 117.00 113.84 3m76 n LEU 160 Ca 0.13 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3m76 n LEU 160 Cb 0.18 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3m76 n LEU 160 CO 0.33 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3m76 n GLY 161 N 1.02 0.72 2.91 -0.72 0.00 -0.02 -5.02 105.19 104.09 3m76 n GLY 161 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3m76 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m76 n TYR 162 N -2.06 2.51 -0.10 1.61 4.01 -0.02 -4.83 117.16 118.28 3m76 n TYR 162 Ca 0.00 -2.65 -0.12 0.00 -0.16 0.00 0.00 57.90 54.97 3m76 n TYR 162 Cb 0.00 -1.53 -0.04 0.00 -0.31 0.00 0.00 39.34 37.46 3m76 n TYR 162 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3m76 h HIS 163 N 5.46 0.65 -0.50 -0.72 3.86 -1.84 -0.19 115.15 121.87 3m76 h HIS 163 Ca 0.31 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 3m76 h HIS 163 Cb 0.59 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3m76 h HIS 163 CO 1.14 0.78 -0.17 -0.44 0.86 0.00 0.00 177.93 180.09 3m76 h ASP 164 N 0.34 1.02 -0.83 2.45 3.32 -1.96 -0.02 116.42 120.75 3m76 h ASP 164 Ca 0.07 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3m76 h ASP 164 Cb 0.57 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3m76 h ASP 164 CO 0.03 1.17 0.53 0.25 -1.72 0.00 0.00 179.24 179.50 3m76 h LEU 165 N 0.87 0.96 -0.82 1.55 6.46 -1.96 -2.24 115.31 120.13 3m76 h LEU 165 Ca 0.12 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3m76 h LEU 165 Cb 0.75 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 3m76 h LEU 165 CO 0.06 0.72 0.49 1.23 -0.62 0.00 0.00 178.44 180.32 3m76 h GLY 166 N 1.12 1.24 1.71 3.75 0.00 -0.38 -1.62 103.07 108.89 3m76 h GLY 166 Ca 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3m76 h GLY 166 CO -0.06 0.21 0.08 -0.97 0.00 0.00 0.00 176.54 175.79 3m76 h TYR 167 N 0.87 0.38 -0.08 5.60 -1.99 -0.42 0.12 116.97 121.45 3m76 h TYR 167 Ca 0.37 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.08 3m76 h TYR 167 Cb 0.23 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 3m76 h TYR 167 CO -0.05 0.33 0.03 -0.07 -0.00 0.00 0.00 178.16 178.40 3m76 h LEU 168 N 0.38 0.11 -0.87 3.88 3.38 -1.00 0.07 115.31 121.25 3m76 h LEU 168 Ca 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3m76 h LEU 168 Cb 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3m76 h LEU 168 CO -0.01 0.27 0.47 -0.26 0.09 0.00 0.00 178.44 179.00 3m76 h PHE 169 N -0.05 1.21 -0.41 1.13 0.04 -1.14 -1.48 116.94 116.24 3m76 h PHE 169 Ca 0.03 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3m76 h PHE 169 Cb 0.19 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 3m76 h PHE 169 CO -0.01 0.84 0.21 0.35 -0.60 0.00 0.00 178.31 179.10 3m76 h PHE 170 N 1.22 0.39 -0.54 -0.55 3.57 -0.53 -1.29 116.94 119.21 3m76 h PHE 170 Ca 0.31 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 3m76 h PHE 170 Cb 0.05 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3m76 h PHE 170 CO 0.01 0.21 -0.03 0.78 -2.23 0.00 0.00 178.31 177.05 3m76 h GLY 171 N 0.43 1.03 0.74 2.40 0.00 -0.68 0.77 103.07 107.75 3m76 h GLY 171 Ca 0.17 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.79 3m76 h GLY 171 CO -0.11 0.69 0.16 0.00 0.00 0.00 0.00 176.54 177.28 3m76 h ALA 172 N 1.09 0.46 -0.45 3.60 0.00 -1.05 -1.24 119.26 121.66 3m76 h ALA 172 Ca 0.15 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3m76 h ALA 172 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3m76 h ALA 172 CO 0.03 -0.22 -0.23 0.78 0.00 0.00 0.00 179.25 179.62 3m76 h GLY 173 N 0.34 1.03 0.85 0.00 0.00 -0.83 -1.47 103.07 102.99 3m76 h GLY 173 Ca 0.17 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 3m76 h GLY 173 CO -0.15 0.85 -0.10 1.98 0.00 0.00 0.00 176.54 179.12 3m76 h MET 174 N 0.79 0.51 -0.26 4.80 -1.53 -0.65 -0.97 114.93 117.61 3m76 h MET 174 Ca 0.10 -0.21 -0.19 0.00 -3.44 0.00 0.00 59.70 55.96 3m76 h MET 174 Cb 0.81 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.84 3m76 h MET 174 CO 0.07 0.75 -0.58 0.82 0.14 0.00 0.00 176.91 178.11 3m76 h ILE 175 N 0.24 1.28 -0.84 1.77 2.04 -1.30 -2.27 117.51 118.42 3m76 h ILE 175 Ca 0.06 -1.78 0.08 0.00 1.00 0.00 0.00 64.86 64.22 3m76 h ILE 175 Cb 0.59 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 3m76 h ILE 175 CO 0.03 0.57 0.55 0.00 0.00 0.00 0.00 178.15 179.30 3m76 h ALA 176 N 0.71 1.65 0.35 1.87 0.00 -1.18 -0.73 119.26 121.93 3m76 h ALA 176 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m76 h ALA 176 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3m76 h ALA 176 CO 0.13 0.19 -0.17 2.35 0.00 0.00 0.00 179.25 181.75 3m76 h TRP 177 N 0.85 -0.43 0.00 0.00 7.01 -0.90 -1.44 115.95 121.03 3m76 h TRP 177 Ca 0.38 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.37 3m76 h TRP 177 Cb 0.35 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 3m76 h TRP 177 CO -0.00 -0.20 0.00 -0.84 -2.79 0.00 0.00 178.44 174.61 3m76 h ILE 178 N -0.58 0.00 0.00 2.65 3.07 -1.10 -0.27 117.51 121.29 3m76 h ILE 178 Ca -0.05 -0.52 -0.17 0.00 1.55 0.00 0.00 64.86 65.67 3m76 h ILE 178 Cb 0.43 1.51 -0.02 0.00 -0.27 0.00 0.00 36.82 38.46 3m76 h ILE 178 CO 0.08 0.00 -0.81 0.40 -1.05 0.00 0.00 178.15 176.77 3m76 h ILE 179 N 0.00 1.41 0.06 0.16 2.04 -0.92 -3.38 117.51 116.88 3m76 h ILE 179 Ca 0.00 -2.95 -0.24 0.00 1.00 0.00 0.00 64.86 62.67 3m76 h ILE 179 Cb 0.53 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3m76 h ILE 179 CO 0.00 0.79 -1.29 0.15 0.00 0.00 0.00 178.15 177.80 3m76 h PHE 180 N 0.00 0.24 -0.99 1.37 3.57 -0.72 -3.41 116.94 117.01 3m76 h PHE 180 Ca -0.01 -0.18 0.20 0.00 3.53 0.00 0.00 57.97 61.52 3m76 h PHE 180 Cb 1.61 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 40.24 3m76 h PHE 180 CO 0.00 1.51 0.62 1.49 -2.23 0.00 0.00 178.31 179.69 3m76 h GLU 181 N -0.58 0.63 -0.59 1.11 4.81 -1.23 -1.91 114.58 116.81 3m76 h GLU 181 Ca -0.31 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.97 3m76 h GLU 181 Cb 1.55 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.72 3m76 h GLU 181 CO -0.04 0.42 0.23 -1.35 -0.73 0.00 0.00 179.01 177.54 3m76 h PRO 182 N 0.65 0.41 0.00 0.92 0.11 -1.79 -0.78 132.00 131.53 3m76 h PRO 182 Ca 0.56 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.50 3m76 h PRO 182 Cb 1.02 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3m76 h PRO 182 CO -0.33 0.27 -0.68 -0.39 -0.21 0.00 0.00 178.00 176.66 3m76 h VAL 183 N 0.43 1.31 0.02 3.15 -1.51 -1.63 -2.67 116.25 115.35 3m76 h VAL 183 Ca 0.29 -2.49 -0.00 0.00 -1.23 0.00 0.00 66.70 63.27 3m76 h VAL 183 Cb 0.34 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3m76 h VAL 183 CO -0.28 0.67 -0.01 0.25 -1.23 0.00 0.00 177.57 176.97 3m76 h LEU 184 N 0.00 -0.02 -0.94 4.19 5.85 -0.99 -1.71 115.31 121.68 3m76 h LEU 184 Ca -0.01 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3m76 h LEU 184 Cb 1.36 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3m76 h LEU 184 CO 0.09 0.21 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.00 3m76 h LEU 185 N -0.26 0.37 -0.67 2.25 3.38 -1.17 -0.25 115.31 118.97 3m76 h LEU 185 Ca -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3m76 h LEU 185 Cb 0.25 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3m76 h LEU 185 CO 0.00 0.69 0.26 -0.61 0.09 0.00 0.00 178.44 178.88 3m76 h GLN 186 N 0.31 1.00 -0.38 1.13 5.75 -1.48 -0.81 115.11 120.63 3m76 h GLN 186 Ca 0.04 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 3m76 h GLN 186 Cb 0.74 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3m76 h GLN 186 CO 0.06 0.84 0.20 1.25 -2.65 0.00 0.00 178.83 178.52 3m76 h HIS 187 N 0.95 0.53 -0.98 3.99 2.76 -0.72 -2.20 115.15 119.47 3m76 h HIS 187 Ca 0.22 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 3m76 h HIS 187 Cb 0.21 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 3m76 h HIS 187 CO 0.01 0.42 0.64 -0.07 -1.30 0.00 0.00 177.93 177.64 3m76 h LEU 188 N 0.48 1.14 -0.76 0.26 3.38 -0.84 0.15 115.31 119.12 3m76 h LEU 188 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3m76 h LEU 188 Cb 0.08 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3m76 h LEU 188 CO -0.02 0.84 0.45 0.03 0.09 0.00 0.00 178.44 179.83 3m76 h ARG 189 N 1.34 1.03 0.12 1.13 3.08 -0.85 -2.05 114.38 118.18 3m76 h ARG 189 Ca 0.36 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 60.06 3m76 h ARG 189 Cb -0.13 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.70 3m76 h ARG 189 CO -0.08 0.74 -1.26 0.82 -1.07 0.00 0.00 179.97 179.12 3m76 h ILE 190 N 1.04 1.14 0.00 2.04 2.04 -0.99 -3.43 117.51 119.35 3m76 h ILE 190 Ca 0.27 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.71 3m76 h ILE 190 Cb -0.03 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3m76 h ILE 190 CO -0.05 0.69 -0.95 -0.24 0.00 0.00 0.00 178.15 177.60 3m76 n SER 191 N -3.99 4.55 0.00 1.72 2.88 0.45 -5.11 113.62 114.12 3m76 n SER 191 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 3m76 n SER 191 Cb 0.87 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.70 3m76 n SER 191 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3m76 n SER 192 N -2.05 0.00 -4.05 -3.46 2.88 -0.72 -4.82 113.62 101.40 3m76 n SER 192 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 3m76 n SER 192 Cb 0.48 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 3m76 n SER 192 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m76 s LEU 193 N 0.00 1.98 0.62 2.46 1.43 -1.26 -4.76 118.68 119.14 3m76 s LEU 193 Ca 0.00 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 3m76 s LEU 193 Cb 0.00 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3m76 s LEU 193 CO 0.00 0.13 1.16 -1.61 0.23 0.00 0.00 176.35 176.25 3m76 s GLU 194 N -0.18 2.90 0.38 1.70 2.02 -1.26 -4.79 118.70 119.48 3m76 s GLU 194 Ca 0.03 1.62 0.14 0.00 0.02 0.00 0.00 54.97 56.78 3m76 s GLU 194 Cb -0.05 -1.94 0.97 0.00 0.10 0.00 0.00 34.13 33.20 3m76 s GLU 194 CO -0.00 -1.21 1.84 -1.35 0.02 0.00 0.00 175.26 174.55 3m76 h PRO 195 N 0.54 0.52 0.00 0.39 0.11 -1.96 0.48 132.00 132.07 3m76 h PRO 195 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m76 h PRO 195 Cb 1.27 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3m76 h PRO 195 CO 0.54 0.34 -0.01 -0.56 -0.21 0.00 0.00 178.00 178.11 3m76 h GLN 196 N 0.53 0.00 -0.01 1.05 -0.00 -1.97 -1.79 115.11 112.92 3m76 h GLN 196 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 3m76 h GLN 196 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 3m76 h GLN 196 CO -0.23 0.01 -0.32 1.19 -0.00 0.00 0.00 178.83 179.48 3m76 n PHE 197 N -3.14 0.00 0.23 0.06 3.72 0.13 -4.73 117.46 113.74 3m76 n PHE 197 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 3m76 n PHE 197 Cb 0.13 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.23 3m76 n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m76 h ARG 198 N 1.50 0.00 0.00 -1.08 3.08 -1.02 -1.68 114.38 115.18 3m76 h ARG 198 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3m76 h ARG 198 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3m76 h ARG 198 CO 0.00 0.20 -0.03 0.00 -1.07 0.00 0.00 179.97 179.07 3m76 h ALA 199 N 1.80 1.45 0.00 0.04 0.00 -1.79 -0.28 119.26 120.49 3m76 h ALA 199 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m76 h ALA 199 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m76 h ALA 199 CO 0.03 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.56 3m76 n THR 200 N -3.78 1.14 0.18 0.00 -2.24 -0.63 -1.29 114.28 107.66 3m76 n THR 200 Ca -0.03 0.32 0.18 0.00 -2.27 0.00 0.00 64.05 62.26 3m76 n THR 200 Cb 0.12 -1.17 0.81 0.00 -2.10 0.00 0.00 70.33 67.99 3m76 n THR 200 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3m76 h MET 201 N 0.00 0.00 -0.17 -0.78 2.07 -1.20 -0.27 114.93 114.58 3m76 h MET 201 Ca 0.00 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.68 3m76 h MET 201 Cb 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 3m76 h MET 201 CO 0.00 0.00 0.15 0.78 1.07 0.00 0.00 176.91 178.91 3m76 h GLY 202 N 0.00 0.00 2.00 8.32 0.00 -1.40 -0.71 103.07 111.28 3m76 h GLY 202 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3m76 h GLY 202 CO -0.00 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.12 3m76 h ILE 203 N 0.00 0.59 0.00 2.60 2.04 -1.16 -2.36 117.51 119.22 3m76 h ILE 203 Ca 0.08 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3m76 h ILE 203 Cb 0.39 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3m76 h ILE 203 CO -0.00 0.19 -0.07 0.58 0.00 0.00 0.00 178.15 178.85 3m76 h VAL 204 N 0.00 0.51 0.00 1.67 2.07 -1.26 -1.30 116.25 117.94 3m76 h VAL 204 Ca -0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3m76 h VAL 204 Cb 0.59 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3m76 h VAL 204 CO 0.03 0.07 -0.33 0.25 0.02 0.00 0.00 177.57 177.60 3m76 h LEU 205 N 0.00 0.00 -0.13 2.57 5.85 -1.54 -3.37 115.31 118.69 3m76 h LEU 205 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3m76 h LEU 205 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3m76 h LEU 205 CO 0.01 0.33 -0.03 0.00 -0.34 0.00 0.00 178.44 178.41 3m76 h ALA 206 N 1.67 0.17 -0.32 1.25 0.00 -1.36 -3.38 119.26 117.29 3m76 h ALA 206 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3m76 h ALA 206 Cb 0.67 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3m76 h ALA 206 CO 0.04 -0.08 -0.29 -1.35 0.00 0.00 0.00 179.25 177.57 3m76 h PRO 207 N -0.07 -0.25 -0.66 0.00 0.11 -1.73 0.16 132.00 129.56 3m76 h PRO 207 Ca 0.03 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3m76 h PRO 207 Cb 0.45 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 3m76 h PRO 207 CO 0.01 -0.17 0.12 0.00 -0.21 0.00 0.00 178.00 177.75 3m76 h ALA 208 N 0.75 0.97 -0.04 -0.75 0.00 -1.88 0.73 119.26 119.04 3m76 h ALA 208 Ca 0.16 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3m76 h ALA 208 Cb 0.51 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m76 h ALA 208 CO -0.47 0.65 -0.89 0.74 0.00 0.00 0.00 179.25 179.28 3m76 h PHE 209 N 1.01 0.97 -0.79 0.00 0.04 -1.60 -1.01 116.94 115.56 3m76 h PHE 209 Ca 0.20 -0.50 -0.03 0.00 2.80 0.00 0.00 57.97 60.44 3m76 h PHE 209 Cb 0.41 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3m76 h PHE 209 CO 0.03 1.33 0.37 0.28 -0.60 0.00 0.00 178.31 179.72 3m76 h VAL 210 N 0.34 1.25 0.45 -0.55 2.07 -0.66 -0.92 116.25 118.23 3m76 h VAL 210 Ca -0.10 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3m76 h VAL 210 Cb 1.54 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3m76 h VAL 210 CO 0.18 0.30 -0.22 0.00 0.02 0.00 0.00 177.57 177.86 3m76 h VAL 212 N -0.61 1.28 -0.17 0.00 3.04 -1.11 0.09 116.25 118.76 3m76 h VAL 212 Ca -0.06 -1.35 0.04 0.00 -1.01 0.00 0.00 66.70 64.31 3m76 h VAL 212 Cb 0.46 1.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.08 3m76 h VAL 212 CO 0.10 0.43 -0.06 -1.28 -1.01 0.00 0.00 177.57 175.75 3m76 h SER 213 N 0.48 -0.20 -0.49 3.17 0.87 -1.06 -0.16 113.55 116.15 3m76 h SER 213 Ca 0.06 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3m76 h SER 213 Cb 0.73 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 3m76 h SER 213 CO 0.06 -0.08 0.23 0.00 -0.53 0.00 0.00 176.83 176.51 3m76 h ALA 214 N 1.14 0.63 -0.34 6.23 0.00 -0.82 -1.72 119.26 124.38 3m76 h ALA 214 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3m76 h ALA 214 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3m76 h ALA 214 CO -0.19 0.20 0.19 -0.92 0.00 0.00 0.00 179.25 178.53 3m76 h TYR 215 N 0.65 0.35 0.00 0.00 3.20 -0.66 -1.79 116.97 118.71 3m76 h TYR 215 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3m76 h TYR 215 Cb 0.13 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3m76 h TYR 215 CO -0.01 0.20 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.34 3m76 h LEU 216 N 0.39 0.00 -0.89 2.82 3.38 -0.93 -0.30 115.31 119.78 3m76 h LEU 216 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3m76 h LEU 216 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3m76 h LEU 216 CO -0.08 0.30 -0.16 0.28 0.09 0.00 0.00 178.44 178.87 3m76 h SER 217 N 0.00 0.63 0.59 -0.43 0.02 -0.61 0.45 113.55 114.20 3m76 h SER 217 Ca -0.00 -0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.47 3m76 h SER 217 Cb 0.57 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3m76 h SER 217 CO 0.04 0.81 -1.40 0.40 -1.14 0.00 0.00 176.83 175.54 3m76 h ILE 218 N 0.58 1.29 -0.51 3.27 2.04 -0.71 -3.36 117.51 120.11 3m76 h ILE 218 Ca 0.09 -2.95 -0.05 0.00 1.00 0.00 0.00 64.86 62.95 3m76 h ILE 218 Cb 0.61 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 3m76 h ILE 218 CO 0.04 0.83 0.07 -0.46 0.00 0.00 0.00 178.15 178.62 3m76 n ASN 219 N -3.40 4.69 -1.57 1.72 6.94 -0.18 -4.89 115.26 118.56 3m76 n ASN 219 Ca -0.12 -2.82 -0.15 0.00 -0.02 0.00 0.00 54.58 51.47 3m76 n ASN 219 Cb 1.02 -0.67 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 3m76 n ASN 219 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3m76 n HIS 220 N 0.34 -0.54 -1.06 -2.53 8.25 -1.19 -3.26 115.22 115.23 3m76 n HIS 220 Ca 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.69 3m76 n HIS 220 Cb 1.07 -3.01 -0.01 0.00 1.12 0.00 0.00 29.99 29.16 3m76 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m76 n GLY 221 N -1.05 0.55 3.61 -1.41 0.00 0.14 -4.98 105.19 102.05 3m76 n GLY 221 Ca -0.17 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 3m76 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m76 s GLU 222 N -2.18 3.77 -0.82 1.61 2.12 -1.20 -4.84 118.70 117.17 3m76 s GLU 222 Ca 0.00 0.63 -0.22 0.00 0.36 0.00 0.00 54.97 55.74 3m76 s GLU 222 Cb 0.00 -3.88 0.08 0.00 0.26 0.00 0.00 34.13 30.59 3m76 s GLU 222 CO 0.00 -1.30 1.16 0.08 -0.54 0.00 0.00 175.26 174.66 3m76 s VAL 223 N 4.30 4.26 0.00 3.70 1.01 -1.26 -4.89 120.40 127.53 3m76 s VAL 223 Ca 0.47 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3m76 s VAL 223 Cb -0.08 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.48 3m76 s VAL 223 CO 0.29 -1.63 0.00 -0.90 0.00 0.00 0.00 175.10 172.86 3m76 n ASP 224 N 7.88 1.17 -0.15 3.32 5.68 -1.26 -4.94 116.55 128.25 3m76 n ASP 224 Ca 0.12 -0.98 -0.08 0.00 -0.50 0.00 0.00 54.79 53.35 3m76 n ASP 224 Cb 0.48 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.47 3m76 n ASP 224 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3m76 h THR 225 N 0.57 1.14 -0.49 2.12 2.02 -2.00 -1.92 112.91 114.36 3m76 h THR 225 Ca 0.00 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3m76 h THR 225 Cb 0.00 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3m76 h THR 225 CO 0.00 0.14 0.27 0.25 0.37 0.00 0.00 175.52 176.55 3m76 h LEU 226 N 0.60 0.41 -0.66 2.58 5.85 -1.97 -0.75 115.31 121.37 3m76 h LEU 226 Ca 0.16 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3m76 h LEU 226 Cb -0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3m76 h LEU 226 CO -0.03 0.29 0.40 0.00 -0.34 0.00 0.00 178.44 178.76 3m76 h ALA 227 N 1.24 0.86 -0.67 1.25 0.00 -1.81 -0.97 119.26 119.16 3m76 h ALA 227 Ca 0.21 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3m76 h ALA 227 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m76 h ALA 227 CO -0.12 0.16 0.12 0.87 0.00 0.00 0.00 179.25 180.27 3m76 h LYS 228 N 0.79 1.10 -0.51 0.00 1.57 -0.95 -1.62 116.57 116.95 3m76 h LYS 228 Ca 0.27 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3m76 h LYS 228 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3m76 h LYS 228 CO -0.11 1.00 0.32 0.82 -0.57 0.00 0.00 179.45 180.91 3m76 h ILE 229 N 1.03 1.14 -0.48 1.86 2.04 -0.74 -1.33 117.51 121.04 3m76 h ILE 229 Ca 0.21 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3m76 h ILE 229 Cb 0.43 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3m76 h ILE 229 CO 0.01 0.14 0.12 -0.07 0.00 0.00 0.00 178.15 178.36 3m76 h LEU 230 N 0.68 0.72 -1.11 1.44 3.38 -0.98 -2.42 115.31 117.02 3m76 h LEU 230 Ca 0.18 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3m76 h LEU 230 Cb -0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3m76 h LEU 230 CO -0.04 0.76 0.61 -0.50 0.09 0.00 0.00 178.44 179.36 3m76 h TRP 231 N 0.64 1.12 -0.15 1.13 4.06 -1.02 -0.10 115.95 121.63 3m76 h TRP 231 Ca 0.15 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.12 3m76 h TRP 231 Cb 0.32 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 3m76 h TRP 231 CO 0.02 0.65 0.08 0.78 -3.56 0.00 0.00 178.44 176.41 3m76 h GLY 232 N 1.16 0.23 1.37 1.49 0.00 -0.78 -0.16 103.07 106.38 3m76 h GLY 232 Ca 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3m76 h GLY 232 CO -0.11 0.10 -0.01 -1.82 0.00 0.00 0.00 176.54 174.70 3m76 h TYR 233 N 0.13 0.82 -0.50 5.60 3.20 -1.28 -2.01 116.97 122.94 3m76 h TYR 233 Ca 0.05 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.85 3m76 h TYR 233 Cb 0.09 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 3m76 h TYR 233 CO -0.04 0.77 0.24 0.78 -1.64 0.00 0.00 178.16 178.28 3m76 h GLY 234 N 0.97 0.70 1.21 1.82 0.00 -0.53 -1.52 103.07 105.71 3m76 h GLY 234 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3m76 h GLY 234 CO 0.02 0.10 0.01 0.74 0.00 0.00 0.00 176.54 177.41 3m76 h PHE 235 N 0.48 1.02 -0.33 5.60 0.04 -0.87 -0.95 116.94 121.93 3m76 h PHE 235 Ca 0.22 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.89 3m76 h PHE 235 Cb 0.15 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 3m76 h PHE 235 CO -0.11 0.91 -0.00 1.25 -0.60 0.00 0.00 178.31 179.76 3m76 h LEU 236 N 0.88 -0.14 -0.83 1.54 5.85 -0.92 -0.66 115.31 121.04 3m76 h LEU 236 Ca 0.16 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3m76 h LEU 236 Cb 0.50 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3m76 h LEU 236 CO 0.02 -0.03 0.20 1.56 -0.34 0.00 0.00 178.44 179.85 3m76 h GLN 237 N 0.09 1.07 -0.24 1.25 1.08 -1.05 -1.30 115.11 116.01 3m76 h GLN 237 Ca 0.16 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3m76 h GLN 237 Cb 0.22 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3m76 h GLN 237 CO -0.27 0.93 0.11 1.25 -0.95 0.00 0.00 178.83 179.89 3m76 h LEU 238 N 1.03 0.16 -0.71 1.46 5.85 -0.72 -0.15 115.31 122.24 3m76 h LEU 238 Ca 0.22 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3m76 h LEU 238 Cb 0.31 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3m76 h LEU 238 CO -0.01 0.12 0.41 -0.26 -0.34 0.00 0.00 178.44 178.36 3m76 h PHE 239 N 0.24 0.95 -0.44 1.25 0.04 -0.77 0.65 116.94 118.86 3m76 h PHE 239 Ca 0.10 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3m76 h PHE 239 Cb 0.04 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3m76 h PHE 239 CO -0.10 0.66 0.27 0.74 -0.60 0.00 0.00 178.31 179.28 3m76 h PHE 240 N 0.97 0.58 -0.18 -0.55 -1.00 -0.89 -1.73 116.94 114.14 3m76 h PHE 240 Ca 0.25 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.91 3m76 h PHE 240 Cb 0.01 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 3m76 h PHE 240 CO -0.01 0.40 -0.42 -0.07 -1.61 0.00 0.00 178.31 176.61 3m76 h LEU 241 N 0.59 0.45 -0.45 1.54 3.38 -0.59 -1.08 115.31 119.15 3m76 h LEU 241 Ca 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3m76 h LEU 241 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3m76 h LEU 241 CO -0.03 0.82 0.26 -0.07 0.09 0.00 0.00 178.44 179.51 3m76 h LEU 242 N 0.35 0.54 -1.01 1.67 3.38 -0.67 -0.71 115.31 118.86 3m76 h LEU 242 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3m76 h LEU 242 Cb 0.88 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3m76 h LEU 242 CO 0.07 0.45 0.43 -0.09 0.09 0.00 0.00 178.44 179.40 3m76 h ARG 243 N 0.59 1.13 0.00 1.13 1.12 -0.96 -2.38 114.38 115.01 3m76 h ARG 243 Ca 0.16 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 3m76 h ARG 243 Cb 0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 3m76 h ARG 243 CO -0.03 0.84 0.00 1.28 -3.11 0.00 0.00 179.97 178.95 3m76 n LEU 244 N -4.34 0.00 -0.24 3.80 4.77 -0.44 -4.33 117.00 116.21 3m76 n LEU 244 Ca 0.08 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 3m76 n LEU 244 Cb 0.11 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 3m76 n LEU 244 CO 0.39 -0.03 1.13 0.15 -1.33 0.00 0.00 177.39 177.69 3m76 h PHE 245 N 0.00 0.79 -1.01 -1.77 3.57 -0.58 -0.16 116.94 117.77 3m76 h PHE 245 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3m76 h PHE 245 Cb 0.35 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 3m76 h PHE 245 CO 0.00 0.44 0.65 -1.35 -2.23 0.00 0.00 178.31 175.82 3m76 h PRO 246 N 0.82 1.16 -0.43 6.41 0.11 -1.80 -0.82 132.00 137.44 3m76 h PRO 246 Ca 0.28 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3m76 h PRO 246 Cb 0.05 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 3m76 h PRO 246 CO -0.12 0.77 0.06 2.35 -0.21 0.00 0.00 178.00 180.84 3m76 h TRP 247 N 1.19 0.77 -0.94 0.65 7.01 -1.63 -1.94 115.95 121.07 3m76 h TRP 247 Ca 0.43 -0.11 0.08 0.00 2.11 0.00 0.00 58.89 61.39 3m76 h TRP 247 Cb 0.14 -0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 26.92 3m76 h TRP 247 CO -0.00 0.75 0.59 0.82 -2.79 0.00 0.00 178.44 177.80 3m76 h ILE 248 N 0.58 1.03 -0.68 2.65 2.04 0.02 -2.15 117.51 120.99 3m76 h ILE 248 Ca 0.13 -0.36 -0.23 0.00 1.00 0.00 0.00 64.86 65.40 3m76 h ILE 248 Cb 0.40 -0.10 -0.14 0.00 -0.74 0.00 0.00 36.82 36.24 3m76 h ILE 248 CO 0.01 0.19 0.26 1.33 0.00 0.00 0.00 178.15 179.94 3m76 n VAL 249 N -4.59 2.87 -0.27 1.67 0.24 -0.42 -4.50 118.33 113.33 3m76 n VAL 249 Ca 0.15 -1.85 0.08 0.00 -2.04 0.00 0.00 64.34 60.68 3m76 n VAL 249 Cb 0.22 -0.36 0.20 0.00 -1.47 0.00 0.00 33.84 32.43 3m76 n VAL 249 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3m76 h GLU 250 N 2.15 0.14 -0.63 7.34 4.81 -0.65 -0.34 114.58 127.39 3m76 h GLU 250 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3m76 h GLU 250 Cb 2.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.59 3m76 h GLU 250 CO 0.70 0.10 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 3m76 n LYS 251 N -5.30 3.28 0.00 1.92 4.76 -1.26 -5.01 118.16 116.54 3m76 n LYS 251 Ca 0.16 -2.40 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 3m76 n LYS 251 Cb 0.54 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3m76 n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m76 n GLY 252 N 1.02 3.02 3.75 0.72 0.00 -0.14 -5.04 105.19 108.53 3m76 n GLY 252 Ca 0.22 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3m76 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m76 s LEU 253 N 0.00 4.43 0.16 0.99 1.43 -1.26 -4.78 118.68 119.65 3m76 s LEU 253 Ca 0.00 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.53 3m76 s LEU 253 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3m76 s LEU 253 CO 0.00 -0.51 0.26 0.54 0.23 0.00 0.00 176.35 176.86 3m76 s ASN 254 N -0.03 0.07 0.60 2.29 2.20 -1.26 -5.04 114.94 113.77 3m76 s ASN 254 Ca 0.53 -0.88 0.32 0.00 -0.94 0.00 0.00 52.86 51.89 3m76 s ASN 254 Cb -0.38 0.42 1.89 0.00 -2.00 0.00 0.00 41.25 41.18 3m76 s ASN 254 CO 0.44 -0.87 2.24 -0.29 -2.94 0.00 0.00 177.10 175.68 3m76 h ILE 255 N 2.58 0.42 0.00 0.54 6.09 -1.96 -1.41 117.51 123.78 3m76 h ILE 255 Ca -0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3m76 h ILE 255 Cb 1.22 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.48 3m76 h ILE 255 CO 0.50 0.00 0.04 1.23 -3.07 0.00 0.00 178.15 176.84 3m76 h GLY 256 N 0.00 0.00 2.00 8.18 0.00 -1.96 -1.64 103.07 109.65 3m76 h GLY 256 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3m76 h GLY 256 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3m76 h LEU 257 N 0.00 0.00 -1.38 3.11 3.38 -1.53 -0.41 115.31 118.48 3m76 h LEU 257 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m76 h LEU 257 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3m76 h LEU 257 CO 0.00 0.00 0.07 -0.50 0.09 0.00 0.00 178.44 178.10 3m76 h TRP 258 N 0.00 0.00 -0.21 1.13 4.06 -1.54 -1.68 115.95 117.72 3m76 h TRP 258 Ca 0.00 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 3m76 h TRP 258 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3m76 h TRP 258 CO 0.00 0.00 0.18 0.00 -3.56 0.00 0.00 178.44 175.06 3m76 h ALA 259 N 1.81 1.98 0.00 1.49 0.00 -1.31 0.12 119.26 123.35 3m76 h ALA 259 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3m76 h ALA 259 Cb 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m76 h ALA 259 CO 0.00 -0.29 -0.08 0.74 0.00 0.00 0.00 179.25 179.62 3m76 h PHE 260 N 0.00 0.00 0.00 0.00 0.04 -1.48 -3.35 116.94 112.15 3m76 h PHE 260 Ca 0.10 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3m76 h PHE 260 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3m76 h PHE 260 CO 0.00 0.08 -0.41 0.66 -0.60 0.00 0.00 178.31 178.04 3m76 h SER 261 N 0.00 0.00 0.20 2.17 4.64 -1.14 -1.46 113.55 117.96 3m76 h SER 261 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3m76 h SER 261 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3m76 h SER 261 CO 0.01 0.41 -0.10 0.15 -0.87 0.00 0.00 176.83 176.44 3m76 h PHE 262 N 0.00 -0.25 -0.64 4.77 3.04 -1.74 0.14 116.94 122.26 3m76 h PHE 262 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 3m76 h PHE 262 Cb 0.75 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 3m76 h PHE 262 CO 0.00 -0.14 0.31 0.78 -2.02 0.00 0.00 178.31 177.24 3m76 h GLY 263 N -0.29 0.99 0.92 2.40 0.00 -1.77 -1.23 103.07 104.09 3m76 h GLY 263 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3m76 h GLY 263 CO 0.05 0.47 0.11 1.41 0.00 0.00 0.00 176.54 178.58 3m76 h LEU 264 N 0.89 0.35 -1.19 3.11 3.38 -1.12 0.55 115.31 121.27 3m76 h LEU 264 Ca 0.22 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3m76 h LEU 264 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3m76 h LEU 264 CO -0.03 0.40 0.02 0.00 0.09 0.00 0.00 178.44 178.92 3m76 h ALA 265 N 0.96 1.34 -0.01 1.53 0.00 -0.59 -1.52 119.26 120.97 3m76 h ALA 265 Ca 0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3m76 h ALA 265 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3m76 h ALA 265 CO -0.01 0.46 -0.66 0.77 0.00 0.00 0.00 179.25 179.81 3m76 h SER 266 N 0.56 0.05 -0.33 0.00 0.02 -0.95 -0.28 113.55 112.62 3m76 h SER 266 Ca 0.12 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3m76 h SER 266 Cb 0.33 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3m76 h SER 266 CO 0.01 0.69 0.20 0.24 -1.14 0.00 0.00 176.83 176.83 3m76 h MET 267 N 0.03 0.40 -0.42 3.45 2.07 -0.41 -0.54 114.93 119.51 3m76 h MET 267 Ca -0.01 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 3m76 h MET 267 Cb 1.17 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.79 3m76 h MET 267 CO 0.09 0.26 0.21 0.00 1.07 0.00 0.00 176.91 178.55 3m76 h ALA 268 N 1.14 0.54 0.07 6.32 0.00 -0.91 -0.46 119.26 125.95 3m76 h ALA 268 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m76 h ALA 268 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3m76 h ALA 268 CO -0.06 0.08 -0.03 -0.97 0.00 0.00 0.00 179.25 178.27 3m76 h ASN 269 N 0.54 -0.07 -0.42 0.00 -0.73 -0.90 -2.44 115.58 111.56 3m76 h ASN 269 Ca 0.15 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 3m76 h ASN 269 Cb 0.09 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3m76 h ASN 269 CO -0.02 0.06 0.18 0.77 -0.37 0.00 0.00 177.43 178.05 3m76 h SER 270 N -0.21 0.62 -0.89 1.15 4.64 -1.04 -2.13 113.55 115.69 3m76 h SER 270 Ca -0.01 -0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3m76 h SER 270 Cb 0.18 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 3m76 h SER 270 CO 0.01 0.57 0.58 0.00 -0.87 0.00 0.00 176.83 177.12 3m76 h ALA 271 N 1.52 1.57 -0.50 5.18 0.00 -0.74 -1.04 119.26 125.26 3m76 h ALA 271 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m76 h ALA 271 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3m76 h ALA 271 CO -0.01 0.27 0.18 1.79 0.00 0.00 0.00 179.25 181.48 3m76 h THR 272 N 0.96 1.19 -0.19 0.00 1.35 -0.92 -0.30 112.91 115.00 3m76 h THR 272 Ca 0.40 -0.63 -0.18 0.00 -0.55 0.00 0.00 66.41 65.45 3m76 h THR 272 Cb 0.30 0.61 0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3m76 h THR 272 CO -0.16 0.24 -0.59 0.00 -0.25 0.00 0.00 175.52 174.76 3m76 h ALA 273 N 1.48 0.33 -0.56 6.62 0.00 -1.20 -0.80 119.26 125.13 3m76 h ALA 273 Ca 0.17 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3m76 h ALA 273 Cb 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m76 h ALA 273 CO -0.01 0.57 0.36 0.74 0.00 0.00 0.00 179.25 180.90 3m76 h PHE 274 N 0.45 0.67 -0.12 0.00 -1.00 -1.04 -0.84 116.94 115.05 3m76 h PHE 274 Ca -0.02 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 3m76 h PHE 274 Cb 1.21 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 3m76 h PHE 274 CO 0.09 0.41 0.06 -0.92 -1.61 0.00 0.00 178.31 176.34 3m76 h TYR 275 N 0.72 0.17 0.00 -0.55 3.20 -0.97 -1.25 116.97 118.28 3m76 h TYR 275 Ca 0.21 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3m76 h TYR 275 Cb -0.04 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3m76 h TYR 275 CO -0.05 0.20 -0.11 1.25 -1.64 0.00 0.00 178.16 177.81 3m76 h HIS 276 N 0.09 0.00 -0.07 -3.82 2.76 -0.96 -1.22 115.15 111.93 3m76 h HIS 276 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3m76 h HIS 276 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3m76 h HIS 276 CO -0.04 0.11 0.00 0.41 -1.30 0.00 0.00 177.93 177.11 3m76 n GLY 277 N -1.06 -0.11 3.74 5.26 0.00 -0.34 -4.94 105.19 107.75 3m76 n GLY 277 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3m76 n GLY 277 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m76 n ASN 278 N -0.00 -1.80 -4.10 1.61 5.15 -0.46 -5.00 115.26 110.67 3m76 n ASN 278 Ca 0.18 -0.81 -0.31 0.00 -0.60 0.00 0.00 54.58 53.03 3m76 n ASN 278 Cb 0.29 -4.03 -0.16 0.00 -0.53 0.00 0.00 39.78 35.34 3m76 n ASN 278 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m76 s VAL 279 N -3.61 1.85 -1.31 3.44 1.01 -0.54 -4.80 120.40 116.44 3m76 s VAL 279 Ca 0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3m76 s VAL 279 Cb -0.06 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3m76 s VAL 279 CO 0.81 0.51 0.57 0.18 0.00 0.00 0.00 175.10 177.17 3m76 n LEU 280 N 4.46 -2.53 -0.13 3.92 4.77 -1.26 -4.26 117.00 121.97 3m76 n LEU 280 Ca -0.19 -0.98 0.01 0.00 -0.03 0.00 0.00 56.01 54.81 3m76 n LEU 280 Cb 0.51 -2.34 0.29 0.00 -2.33 0.00 0.00 43.42 39.54 3m76 n LEU 280 CO 0.25 0.44 1.15 1.56 -1.33 0.00 0.00 177.39 179.46 3m76 h GLN 281 N -1.87 0.81 -0.29 3.23 4.20 -1.87 -0.30 115.11 119.03 3m76 h GLN 281 Ca -0.64 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 57.96 3m76 h GLN 281 Cb 1.37 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3m76 h GLN 281 CO 0.57 0.59 0.05 0.78 -0.67 0.00 0.00 178.83 180.15 3m76 h GLY 282 N 0.88 0.52 0.86 3.46 0.00 -2.00 -1.02 103.07 105.76 3m76 h GLY 282 Ca 0.21 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.25 3m76 h GLY 282 CO -0.04 0.32 0.63 -2.08 0.00 0.00 0.00 176.54 175.37 3m76 h VAL 283 N 0.30 1.12 -0.44 4.60 2.07 -1.85 -1.84 116.25 120.21 3m76 h VAL 283 Ca 0.09 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3m76 h VAL 283 Cb 0.33 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3m76 h VAL 283 CO 0.01 0.21 -0.16 0.77 0.02 0.00 0.00 177.57 178.41 3m76 h SER 284 N 1.17 0.85 -0.31 0.57 4.64 -0.71 0.92 113.55 120.68 3m76 h SER 284 Ca 0.40 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3m76 h SER 284 Cb 0.09 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3m76 h SER 284 CO -0.14 1.01 0.09 0.40 -0.87 0.00 0.00 176.83 177.33 3m76 h ILE 285 N 0.75 1.21 -0.36 0.95 2.04 -0.91 -0.58 117.51 120.61 3m76 h ILE 285 Ca 0.11 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.33 3m76 h ILE 285 Cb 0.68 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3m76 h ILE 285 CO 0.05 0.23 0.17 0.15 0.00 0.00 0.00 178.15 178.75 3m76 h PHE 286 N 0.35 0.31 -0.64 1.37 3.57 -0.97 -0.97 116.94 119.97 3m76 h PHE 286 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3m76 h PHE 286 Cb 0.26 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3m76 h PHE 286 CO 0.01 0.16 0.35 0.00 -2.23 0.00 0.00 178.31 176.60 3m76 h ALA 287 N 1.20 0.82 -0.38 2.41 0.00 -0.61 0.18 119.26 122.88 3m76 h ALA 287 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3m76 h ALA 287 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m76 h ALA 287 CO -0.12 0.33 0.03 0.35 0.00 0.00 0.00 179.25 179.84 3m76 h PHE 288 N 0.87 0.70 -0.18 0.00 3.57 -0.80 -1.69 116.94 119.41 3m76 h PHE 288 Ca 0.22 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3m76 h PHE 288 Cb 0.04 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3m76 h PHE 288 CO -0.01 0.72 -0.11 0.28 -2.23 0.00 0.00 178.31 176.96 3m76 h VAL 289 N 0.49 1.32 -0.12 1.41 2.07 -0.97 -2.42 116.25 118.02 3m76 h VAL 289 Ca 0.11 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3m76 h VAL 289 Cb 0.42 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3m76 h VAL 289 CO 0.01 0.36 -0.04 0.15 0.02 0.00 0.00 177.57 178.07 3m76 h PHE 290 N 0.08 -0.09 -0.40 1.57 3.57 -0.59 -0.77 116.94 120.30 3m76 h PHE 290 Ca 0.04 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3m76 h PHE 290 Cb 0.60 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 3m76 h PHE 290 CO 0.07 -0.07 0.06 0.77 -2.23 0.00 0.00 178.31 176.91 3m76 h SER 291 N -0.02 -0.03 -0.59 0.41 0.02 -1.30 -1.46 113.55 110.58 3m76 h SER 291 Ca 0.06 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3m76 h SER 291 Cb 0.11 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3m76 h SER 291 CO -0.13 0.02 -0.01 0.78 -1.14 0.00 0.00 176.83 176.34 3m76 h ASN 292 N 0.18 1.03 -0.57 3.07 2.35 -1.12 -1.32 115.58 119.20 3m76 h ASN 292 Ca 0.19 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3m76 h ASN 292 Cb 0.24 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3m76 h ASN 292 CO -0.27 1.09 0.31 0.58 -1.65 0.00 0.00 177.43 177.49 3m76 h VAL 293 N 0.94 1.19 -0.39 2.81 2.07 -0.84 0.67 116.25 122.70 3m76 h VAL 293 Ca 0.16 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3m76 h VAL 293 Cb 0.57 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3m76 h VAL 293 CO 0.03 0.21 -0.10 0.24 0.02 0.00 0.00 177.57 177.97 3m76 h MET 294 N 0.77 0.76 -0.26 1.57 2.86 -1.08 -0.06 114.93 119.49 3m76 h MET 294 Ca 0.20 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3m76 h MET 294 Cb 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3m76 h MET 294 CO -0.03 0.90 -0.16 0.82 1.06 0.00 0.00 176.91 179.49 3m76 h ILE 295 N 0.56 1.24 -0.75 -1.22 2.04 -1.13 -1.18 117.51 117.07 3m76 h ILE 295 Ca 0.10 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3m76 h ILE 295 Cb 0.63 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3m76 h ILE 295 CO 0.04 0.34 0.49 1.23 0.00 0.00 0.00 178.15 180.26 3m76 h GLY 296 N 0.94 1.06 1.05 5.37 0.00 -0.31 0.24 103.07 111.42 3m76 h GLY 296 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3m76 h GLY 296 CO 0.03 0.39 0.11 1.41 0.00 0.00 0.00 176.54 178.49 3m76 h LEU 297 N 1.02 1.00 -0.64 3.11 3.38 -0.58 -1.02 115.31 121.58 3m76 h LEU 297 Ca 0.27 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3m76 h LEU 297 Cb -0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 3m76 h LEU 297 CO -0.06 1.00 0.39 -0.07 0.09 0.00 0.00 178.44 179.79 3m76 h LEU 298 N 0.96 0.62 -0.54 1.67 3.38 -0.50 0.15 115.31 121.04 3m76 h LEU 298 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3m76 h LEU 298 Cb 0.42 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3m76 h LEU 298 CO 0.01 0.42 0.32 0.58 0.09 0.00 0.00 178.44 179.87 3m76 h VAL 299 N 0.75 1.16 -0.57 1.22 2.07 -0.56 -1.42 116.25 118.90 3m76 h VAL 299 Ca 0.26 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3m76 h VAL 299 Cb 0.06 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3m76 h VAL 299 CO -0.12 0.17 0.04 -0.07 0.02 0.00 0.00 177.57 177.61 3m76 h LEU 300 N 0.73 0.94 -1.56 2.57 3.38 -0.73 0.03 115.31 120.67 3m76 h LEU 300 Ca 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3m76 h LEU 300 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3m76 h LEU 300 CO -0.04 1.00 -0.11 0.24 0.09 0.00 0.00 178.44 179.62 3m76 h MET 301 N 0.86 0.14 0.02 1.13 2.86 -0.86 -1.52 114.93 117.56 3m76 h MET 301 Ca 0.17 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.61 3m76 h MET 301 Cb 0.49 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.14 3m76 h MET 301 CO 0.02 0.26 -0.67 1.15 1.06 0.00 0.00 176.91 178.74 3m76 h THR 302 N 0.14 1.42 -0.58 2.22 2.02 -0.49 -1.72 112.91 115.92 3m76 h THR 302 Ca 0.03 -2.15 0.03 0.00 0.77 0.00 0.00 66.41 65.09 3m76 h THR 302 Cb 0.29 2.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 3m76 h THR 302 CO 0.02 0.63 0.35 0.40 0.37 0.00 0.00 175.52 177.28 3m76 h ILE 303 N -0.09 1.06 -0.20 3.11 2.04 -0.92 -0.50 117.51 122.01 3m76 h ILE 303 Ca -0.09 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3m76 h ILE 303 Cb 1.39 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 3m76 h ILE 303 CO 0.13 0.13 -0.13 0.22 0.00 0.00 0.00 178.15 178.50 3m76 h TYR 304 N 0.69 -0.31 -0.54 1.37 3.20 -1.22 -1.03 116.97 119.13 3m76 h TYR 304 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3m76 h TYR 304 Cb 0.03 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3m76 h TYR 304 CO -0.06 -0.19 0.27 0.87 -1.64 0.00 0.00 178.16 177.41 3m76 h LYS 305 N -0.12 0.75 -0.31 1.82 1.79 -0.82 -2.23 116.57 117.44 3m76 h LYS 305 Ca 0.12 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 3m76 h LYS 305 Cb 0.29 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3m76 h LYS 305 CO -0.27 0.57 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.35 3m76 h LEU 306 N 0.75 0.61 -1.26 2.94 3.38 -0.63 0.43 115.31 121.54 3m76 h LEU 306 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m76 h LEU 306 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3m76 h LEU 306 CO -0.03 0.84 0.00 0.74 0.09 0.00 0.00 178.44 180.08 3m76 h THR 307 N 0.53 0.00 -0.02 0.22 2.02 -0.61 -2.55 112.91 112.50 3m76 h THR 307 Ca 0.08 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3m76 h THR 307 Cb 0.70 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3m76 h THR 307 CO 0.05 0.00 -0.04 0.29 0.37 0.00 0.00 175.52 176.20 3m76 n LYS 308 N -2.89 1.80 -3.25 6.66 4.76 -0.89 -4.97 118.16 119.39 3m76 n LYS 308 Ca 0.01 -1.64 -0.20 0.00 -2.87 0.00 0.00 58.31 53.61 3m76 n LYS 308 Cb 0.29 -1.39 0.05 0.00 -1.84 0.00 0.00 35.03 32.15 3m76 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m76 n GLY 309 N 1.16 -0.34 0.70 0.72 0.00 -0.74 -4.91 105.19 101.77 3m76 n GLY 309 Ca 0.12 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3m76 n GLY 309 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m76 n GLN 310 N -4.08 2.09 -0.01 1.61 6.02 0.07 -4.78 117.38 118.30 3m76 n GLN 310 Ca -0.03 -2.89 -0.01 0.00 -0.01 0.00 0.00 57.00 54.07 3m76 n GLN 310 Cb 0.57 -1.72 -0.00 0.00 1.02 0.00 0.00 30.24 30.11 3m76 n GLN 310 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3m76 n PHE 311 N -0.97 0.06 -2.12 1.08 -0.00 -1.24 -4.89 117.46 109.37 3m76 n PHE 311 Ca 0.22 0.02 -0.33 0.00 -0.00 0.00 0.00 57.45 57.36 3m76 n PHE 311 Cb 0.84 -0.22 0.01 0.00 -0.00 0.00 0.00 39.48 40.11 3m76 n PHE 311 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3m76 s PHE 312 N -1.13 2.85 -2.00 -5.13 0.08 -1.26 -5.05 117.98 106.34 3m76 s PHE 312 Ca -0.02 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.65 3m76 s PHE 312 Cb 0.00 -3.11 0.46 0.00 -0.57 0.00 0.00 43.02 39.81 3m76 s PHE 312 CO 0.02 -1.28 0.92 1.28 -0.10 0.00 0.00 175.22 176.07