#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhw h TRP 7 N 0.00 1.06 -0.76 1.12 4.06 -2.08 -3.28 115.95 116.06 3dhw h TRP 7 Ca 0.00 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 3dhw h TRP 7 Cb 0.00 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 27.78 3dhw h TRP 7 CO 0.00 0.48 0.31 -0.07 -3.56 0.00 0.00 178.44 175.60 3dhw h LEU 8 N 0.97 1.04 -0.99 -4.49 4.07 -2.05 -3.21 115.31 110.66 3dhw h LEU 8 Ca 0.44 -0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.27 3dhw h LEU 8 Cb 0.39 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 3dhw h LEU 8 CO -0.20 0.92 0.65 -0.07 -1.08 0.00 0.00 178.44 178.66 3dhw h LEU 9 N 1.11 1.11 -0.14 1.67 3.38 -1.99 -3.41 115.31 117.04 3dhw h LEU 9 Ca 0.26 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3dhw h LEU 9 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dhw h LEU 9 CO -0.02 0.79 -0.14 0.58 0.09 0.00 0.00 178.44 179.74 3dhw h VAL 10 N 1.31 1.35 -0.98 1.22 2.07 -1.62 -2.97 116.25 116.63 3dhw h VAL 10 Ca 0.38 -1.30 0.19 0.00 0.82 0.00 0.00 66.70 66.79 3dhw h VAL 10 Cb -0.09 1.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.45 3dhw h VAL 10 CO -0.10 0.38 0.58 0.03 0.02 0.00 0.00 177.57 178.49 3dhw h ARG 11 N -0.03 0.70 -0.35 1.57 3.08 -1.78 -2.92 114.38 114.65 3dhw h ARG 11 Ca 0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3dhw h ARG 11 Cb 0.67 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3dhw h ARG 11 CO 0.03 0.47 0.07 0.78 -1.07 0.00 0.00 179.97 180.25 3dhw h GLY 12 N 0.72 0.63 1.07 0.04 0.00 -1.79 -2.94 103.07 100.80 3dhw h GLY 12 Ca 0.57 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 3dhw h GLY 12 CO -0.39 0.38 0.11 -2.08 0.00 0.00 0.00 176.54 174.56 3dhw h VAL 13 N 0.42 1.26 -0.22 4.60 2.07 -1.50 0.54 116.25 123.42 3dhw h VAL 13 Ca 0.11 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3dhw h VAL 13 Cb 0.34 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3dhw h VAL 13 CO 0.01 0.39 -0.06 -0.25 0.02 0.00 0.00 177.57 177.68 3dhw h TRP 14 N 1.05 -0.12 -0.67 1.57 2.91 -1.58 0.18 115.95 119.29 3dhw h TRP 14 Ca 0.21 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.17 3dhw h TRP 14 Cb 0.44 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 3dhw h TRP 14 CO 0.03 -0.10 0.11 0.93 -1.03 0.00 0.00 178.44 178.39 3dhw h GLU 15 N 0.00 1.10 -0.99 2.65 5.08 -1.30 -2.09 114.58 119.03 3dhw h GLU 15 Ca 0.11 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3dhw h GLU 15 Cb 0.16 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3dhw h GLU 15 CO -0.23 1.01 0.65 1.15 -1.00 0.00 0.00 179.01 180.59 3dhw h THR 16 N 1.03 1.21 -0.13 1.13 2.02 0.16 0.98 112.91 119.31 3dhw h THR 16 Ca 0.20 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3dhw h THR 16 Cb 0.44 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3dhw h THR 16 CO 0.01 0.24 0.09 -0.07 0.37 0.00 0.00 175.52 176.16 3dhw h LEU 17 N 1.30 0.09 0.00 2.58 3.38 -0.22 -1.93 115.31 120.51 3dhw h LEU 17 Ca 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3dhw h LEU 17 Cb -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dhw h LEU 17 CO -0.10 0.06 0.05 0.00 0.09 0.00 0.00 178.44 178.54 3dhw n ALA 18 N -2.54 0.91 -0.29 1.53 0.00 0.34 -1.51 120.51 118.95 3dhw n ALA 18 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3dhw n ALA 18 Cb 0.13 -0.89 0.06 0.00 0.00 0.00 0.00 19.45 18.75 3dhw n ALA 18 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dhw h MET 19 N 0.00 1.18 -0.90 0.00 2.86 -1.40 -1.39 114.93 115.29 3dhw h MET 19 Ca 0.00 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3dhw h MET 19 Cb 0.10 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3dhw h MET 19 CO 0.00 0.95 0.49 1.15 1.06 0.00 0.00 176.91 180.57 3dhw h THR 20 N 1.15 1.26 0.00 2.22 2.02 -1.47 -2.29 112.91 115.80 3dhw h THR 20 Ca 0.27 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3dhw h THR 20 Cb 0.21 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3dhw h THR 20 CO -0.02 0.29 -0.18 -0.26 0.37 0.00 0.00 175.52 175.72 3dhw h PHE 21 N 1.25 0.00 -0.00 3.16 0.04 -1.49 -1.77 116.94 118.14 3dhw h PHE 21 Ca 0.32 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 3dhw h PHE 21 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 3dhw h PHE 21 CO 0.01 0.18 0.00 0.28 -0.60 0.00 0.00 178.31 178.18 3dhw h VAL 22 N 0.00 1.05 -1.00 -0.55 2.07 -0.67 -3.20 116.25 113.95 3dhw h VAL 22 Ca -0.00 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3dhw h VAL 22 Cb 0.40 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3dhw h VAL 22 CO 0.02 0.04 0.66 0.28 0.02 0.00 0.00 177.57 178.60 3dhw h SER 23 N -0.06 1.15 -0.71 0.57 0.02 -1.18 -1.30 113.55 112.04 3dhw h SER 23 Ca 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3dhw h SER 23 Cb 0.06 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 3dhw h SER 23 CO -0.00 0.83 0.47 1.23 -1.14 0.00 0.00 176.83 178.22 3dhw h GLY 24 N 1.36 0.99 1.01 -3.77 0.00 -1.61 0.63 103.07 101.69 3dhw h GLY 24 Ca 0.37 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 3dhw h GLY 24 CO -0.08 0.33 -0.32 -2.75 0.00 0.00 0.00 176.54 173.72 3dhw h PHE 25 N 0.91 0.91 0.00 5.60 3.57 -1.46 -3.41 116.94 123.07 3dhw h PHE 25 Ca 0.27 -0.28 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 3dhw h PHE 25 Cb -0.02 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3dhw h PHE 25 CO -0.00 1.05 -1.72 1.97 -2.23 0.00 0.00 178.31 177.38 3dhw n PHE 26 N -4.21 0.00 -0.06 0.41 1.16 0.54 -3.76 117.46 111.53 3dhw n PHE 26 Ca -0.04 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.73 3dhw n PHE 26 Cb 0.50 -0.52 0.62 0.00 -1.61 0.00 0.00 39.48 38.47 3dhw n PHE 26 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3dhw h GLY 27 N 2.06 0.27 0.00 4.97 0.00 -0.16 -0.56 103.07 109.65 3dhw h GLY 27 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3dhw h GLY 27 CO 0.02 0.03 -0.00 0.74 0.00 0.00 0.00 176.54 177.32 3dhw h PHE 28 N 0.16 0.00 -0.67 5.60 -1.00 -1.78 -3.23 116.94 116.01 3dhw h PHE 28 Ca 0.30 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.01 3dhw h PHE 28 Cb 0.94 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 3dhw h PHE 28 CO -0.00 0.00 0.14 0.28 -1.61 0.00 0.00 178.31 177.12 3dhw h VAL 29 N -0.06 1.26 -0.00 -0.55 2.07 -1.61 -3.34 116.25 114.02 3dhw h VAL 29 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3dhw h VAL 29 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3dhw h VAL 29 CO 0.00 0.38 -0.50 2.30 0.02 0.00 0.00 177.57 179.77 3dhw n ILE 30 N -4.25 0.00 -0.01 4.57 -5.35 -0.29 -4.39 119.36 109.65 3dhw n ILE 30 Ca 0.04 -0.25 -0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3dhw n ILE 30 Cb 0.27 1.00 -0.00 0.00 -1.74 0.00 0.00 39.64 39.17 3dhw n ILE 30 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3dhw h GLY 31 N 2.52 0.00 0.93 3.28 0.00 -1.44 -3.35 103.07 105.01 3dhw h GLY 31 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3dhw h GLY 31 CO 0.00 0.00 0.45 1.41 0.00 0.00 0.00 176.54 178.40 3dhw h LEU 32 N -0.14 0.76 -2.40 3.11 3.38 -1.68 -2.05 115.31 116.29 3dhw h LEU 32 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dhw h LEU 32 Cb 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dhw h LEU 32 CO 0.00 0.54 0.19 -0.65 0.09 0.00 0.00 178.44 178.61 3dhw h PRO 33 N 0.91 0.00 -0.38 1.13 0.11 -1.77 1.09 132.00 133.09 3dhw h PRO 33 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3dhw h PRO 33 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3dhw h PRO 33 CO -0.08 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.04 3dhw n VAL 34 N -3.20 0.99 1.29 3.15 0.24 -0.83 -3.78 118.33 116.19 3dhw n VAL 34 Ca -0.01 -0.99 0.04 0.00 -2.04 0.00 0.00 64.34 61.34 3dhw n VAL 34 Cb 0.27 0.51 0.14 0.00 -1.47 0.00 0.00 33.84 33.28 3dhw n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dhw n GLY 35 N 0.62 0.06 0.27 7.63 0.00 0.38 -2.53 105.19 111.61 3dhw n GLY 35 Ca 0.13 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3dhw n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dhw n VAL 36 N 0.15 0.03 0.25 1.61 3.14 -1.18 -3.45 118.33 118.88 3dhw n VAL 36 Ca 0.08 -0.15 0.11 0.00 -2.96 0.00 0.00 64.34 61.42 3dhw n VAL 36 Cb 0.20 0.04 0.67 0.00 -1.06 0.00 0.00 33.84 33.69 3dhw n VAL 36 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3dhw h LEU 37 N 1.23 0.00 -1.01 6.55 3.38 -1.81 -2.90 115.31 120.76 3dhw h LEU 37 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dhw h LEU 37 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3dhw h LEU 37 CO 0.00 0.14 0.67 0.25 0.09 0.00 0.00 178.44 179.59 3dhw h LEU 38 N 0.00 1.15 -0.90 1.67 5.85 -1.86 0.41 115.31 121.64 3dhw h LEU 38 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3dhw h LEU 38 Cb 0.35 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3dhw h LEU 38 CO 0.02 0.83 0.50 1.88 -0.34 0.00 0.00 178.44 181.32 3dhw h TYR 39 N 1.36 1.22 -0.02 1.25 0.05 -1.75 -2.83 116.97 116.25 3dhw h TYR 39 Ca 0.37 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3dhw h TYR 39 Cb -0.14 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.21 3dhw h TYR 39 CO -0.00 0.84 0.00 0.28 -1.05 0.00 0.00 178.16 178.23 3dhw n VAL 40 N -4.34 0.01 -0.20 -2.88 0.31 -0.63 -2.83 118.33 107.76 3dhw n VAL 40 Ca 0.09 -0.16 0.01 0.00 -0.01 0.00 0.00 64.34 64.28 3dhw n VAL 40 Cb 0.09 0.10 0.25 0.00 -0.91 0.00 0.00 33.84 33.38 3dhw n VAL 40 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3dhw h THR 41 N 1.42 1.19 0.00 2.52 1.35 0.05 -3.43 112.91 116.01 3dhw h THR 41 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3dhw h THR 41 Cb 0.30 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3dhw h THR 41 CO 0.00 0.18 0.00 -1.14 -0.25 0.00 0.00 175.52 174.31 3dhw n ARG 42 N -4.42 0.00 -0.05 4.72 3.00 -1.26 -4.99 116.66 113.66 3dhw n ARG 42 Ca 0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.04 3dhw n ARG 42 Cb 0.04 0.00 0.47 0.00 0.00 0.00 0.00 32.46 32.97 3dhw n ARG 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3dhw n PRO 43 N -3.04 1.54 -2.46 -0.14 -0.04 -1.26 -4.93 135.00 124.68 3dhw n PRO 43 Ca 0.00 -0.80 -0.03 0.00 -0.04 0.00 0.00 63.50 62.62 3dhw n PRO 43 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 3dhw n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dhw n GLY 44 N 1.07 -2.38 0.25 0.55 0.00 -1.13 -4.79 105.19 98.77 3dhw n GLY 44 Ca 0.17 0.64 -0.06 0.00 0.00 0.00 0.00 46.02 46.77 3dhw n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dhw h GLN 45 N 1.83 0.83 -3.76 1.61 5.75 -1.72 -3.41 115.11 116.24 3dhw h GLN 45 Ca 0.00 -0.05 -0.22 0.00 -0.15 0.00 0.00 58.65 58.23 3dhw h GLN 45 Cb 0.42 -0.19 -0.27 0.00 1.07 0.00 0.00 27.48 28.51 3dhw h GLN 45 CO 0.12 0.55 -0.71 0.42 -2.65 0.00 0.00 178.83 176.55 3dhw s ILE 46 N -6.14 0.02 -0.81 2.39 -1.09 -1.26 -5.10 121.20 109.21 3dhw s ILE 46 Ca -0.13 -0.13 -0.18 0.00 -2.23 0.00 0.00 60.65 57.98 3dhw s ILE 46 Cb 0.14 -0.05 -0.22 0.00 -1.58 0.00 0.00 42.46 40.75 3dhw s ILE 46 CO 0.76 -0.07 2.01 0.00 -1.23 0.00 0.00 174.94 176.41 3dhw n ILE 47 N 2.87 0.00 0.00 2.92 3.06 -1.26 -4.57 119.36 122.37 3dhw n ILE 47 Ca -0.14 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 3dhw n ILE 47 Cb 0.59 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 40.53 3dhw n ILE 47 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dhw n ALA 48 N 6.90 0.00 -3.02 1.51 0.00 -1.26 -5.12 120.51 119.52 3dhw n ALA 48 Ca 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 3dhw n ALA 48 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3dhw n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dhw s ASN 49 N 0.00 -0.06 0.00 0.00 4.22 -1.26 -2.87 114.94 114.97 3dhw s ASN 49 Ca 0.00 -0.97 0.00 0.00 -2.14 0.00 0.00 52.86 49.75 3dhw s ASN 49 Cb 0.00 0.55 0.00 0.00 1.28 0.00 0.00 41.25 43.08 3dhw s ASN 49 CO 0.00 -1.08 0.00 0.00 -2.04 0.00 0.00 177.10 173.98 3dhw n ALA 50 N -0.35 0.00 1.40 3.54 0.00 -1.26 -4.97 120.51 118.86 3dhw n ALA 50 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.56 3dhw n ALA 50 Cb 0.63 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.52 3dhw n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3dhw n LYS 51 N 0.00 1.68 -0.34 0.00 2.85 -1.26 -4.37 118.16 116.72 3dhw n LYS 51 Ca 0.00 -1.06 -0.01 0.00 -1.05 0.00 0.00 58.31 56.19 3dhw n LYS 51 Cb 0.00 -1.48 0.16 0.00 -0.65 0.00 0.00 35.03 33.06 3dhw n LYS 51 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3dhw h LEU 52 N 2.58 1.06 -1.77 -5.58 3.38 -1.94 -2.40 115.31 110.65 3dhw h LEU 52 Ca 0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dhw h LEU 52 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3dhw h LEU 52 CO 0.00 0.76 0.17 0.22 0.09 0.00 0.00 178.44 179.68 3dhw h TYR 53 N 1.25 0.29 -0.90 1.13 5.03 -1.83 0.40 116.97 122.35 3dhw h TYR 53 Ca 0.35 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.69 3dhw h TYR 53 Cb -0.10 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.03 3dhw h TYR 53 CO -0.00 0.18 0.59 0.00 -1.32 0.00 0.00 178.16 177.61 3dhw h ARG 54 N 0.31 1.15 0.05 1.82 3.08 -1.75 -1.15 114.38 117.89 3dhw h ARG 54 Ca 0.10 -0.07 -0.34 0.00 0.07 0.00 0.00 59.98 59.73 3dhw h ARG 54 Cb 0.00 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 3dhw h ARG 54 CO -0.02 0.76 -1.99 0.25 -1.07 0.00 0.00 179.97 177.90 3dhw n THR 55 N -4.48 1.65 -0.16 2.04 -2.24 -0.82 -3.08 114.28 107.19 3dhw n THR 55 Ca 0.10 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 3dhw n THR 55 Cb 0.04 -1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 66.95 3dhw n THR 55 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3dhw h VAL 56 N 0.03 1.27 -0.06 2.28 2.07 -0.20 0.31 116.25 121.95 3dhw h VAL 56 Ca -0.41 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 65.64 3dhw h VAL 56 Cb 2.03 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3dhw h VAL 56 CO 0.06 0.47 -0.49 0.77 0.02 0.00 0.00 177.57 178.40 3dhw h SER 57 N 0.80 0.18 -0.58 0.57 4.64 -1.40 -2.80 113.55 114.96 3dhw h SER 57 Ca 0.11 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3dhw h SER 57 Cb 0.77 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3dhw h SER 57 CO 0.06 0.64 -0.05 0.00 -0.87 0.00 0.00 176.83 176.61 3dhw h ALA 58 N 1.37 0.79 -0.49 5.18 0.00 -1.25 -2.03 119.26 122.83 3dhw h ALA 58 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3dhw h ALA 58 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dhw h ALA 58 CO 0.07 0.68 -0.05 -0.84 0.00 0.00 0.00 179.25 179.11 3dhw h ILE 59 N 0.96 1.27 -0.29 0.00 3.07 -0.25 0.35 117.51 122.62 3dhw h ILE 59 Ca 0.16 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.42 3dhw h ILE 59 Cb 0.62 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 3dhw h ILE 59 CO 0.04 0.40 0.19 0.58 -1.05 0.00 0.00 178.15 178.31 3dhw h VAL 60 N 0.75 1.07 -0.86 0.16 2.07 -1.52 0.67 116.25 118.59 3dhw h VAL 60 Ca 0.13 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dhw h VAL 60 Cb 0.58 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3dhw h VAL 60 CO 0.03 0.07 0.53 -1.13 0.02 0.00 0.00 177.57 177.09 3dhw h ASN 61 N 0.39 1.03 -0.33 0.57 -1.24 -1.10 0.22 115.58 115.12 3dhw h ASN 61 Ca 0.11 -0.06 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 3dhw h ASN 61 Cb -0.05 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.74 3dhw h ASN 61 CO -0.02 0.79 -0.38 0.16 -1.29 0.00 0.00 177.43 176.69 3dhw h ILE 62 N 1.18 1.28 -0.93 2.57 3.07 0.74 0.16 117.51 125.58 3dhw h ILE 62 Ca 0.31 -1.55 -0.01 0.00 1.55 0.00 0.00 64.86 65.16 3dhw h ILE 62 Cb -0.06 1.39 -0.04 0.00 -0.27 0.00 0.00 36.82 37.83 3dhw h ILE 62 CO -0.06 0.52 0.55 -0.26 -1.05 0.00 0.00 178.15 177.84 3dhw h PHE 63 N 0.72 1.24 -0.74 0.16 -1.00 0.57 -0.90 116.94 116.99 3dhw h PHE 63 Ca 0.06 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3dhw h PHE 63 Cb 0.96 -0.40 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 3dhw h PHE 63 CO 0.06 0.83 0.48 0.00 -1.61 0.00 0.00 178.31 178.07 3dhw h ARG 64 N 1.29 0.98 -0.92 1.51 3.08 -0.12 -2.09 114.38 118.12 3dhw h ARG 64 Ca 0.33 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3dhw h ARG 64 Cb -0.03 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.75 3dhw h ARG 64 CO -0.06 0.66 0.61 0.66 -1.07 0.00 0.00 179.97 180.77 3dhw h SER 65 N 1.01 1.04 -3.90 7.04 4.64 0.75 -3.44 113.55 120.69 3dhw h SER 65 Ca 0.27 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 61.05 3dhw h SER 65 Cb -0.10 -0.25 0.06 0.00 -0.31 0.00 0.00 62.40 61.80 3dhw h SER 65 CO -0.06 0.74 0.60 -0.63 -0.87 0.00 0.00 176.83 176.62 3dhw s ILE 66 N -6.01 2.82 0.63 0.95 1.01 -0.79 -5.04 121.20 114.76 3dhw s ILE 66 Ca -0.12 0.78 -0.10 0.00 0.00 0.00 0.00 60.65 61.21 3dhw s ILE 66 Cb 0.18 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 3dhw s ILE 66 CO 0.81 0.16 1.01 -2.84 0.00 0.00 0.00 174.94 174.08 3dhw s PRO 67 N -1.92 3.33 0.09 2.79 0.02 -1.26 -4.94 135.00 133.10 3dhw s PRO 67 Ca 0.51 0.55 -0.23 0.00 0.02 0.00 0.00 61.00 61.85 3dhw s PRO 67 Cb -0.38 -2.11 -0.14 0.00 0.02 0.00 0.00 34.50 31.89 3dhw s PRO 67 CO 0.49 -0.67 1.73 0.74 -0.33 0.00 0.00 177.00 178.96 3dhw h PHE 68 N -0.35 -0.04 0.01 6.54 0.04 -1.98 -1.52 116.94 119.65 3dhw h PHE 68 Ca -0.45 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.10 3dhw h PHE 68 Cb 1.22 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 3dhw h PHE 68 CO 0.59 -0.02 -1.10 -0.84 -0.60 0.00 0.00 178.31 176.33 3dhw h ILE 69 N -0.03 1.60 -0.56 -0.55 -2.65 -1.95 -2.51 117.51 110.86 3dhw h ILE 69 Ca 0.00 -3.32 -0.11 0.00 1.03 0.00 0.00 64.86 62.46 3dhw h ILE 69 Cb 0.03 2.80 -0.02 0.00 -2.05 0.00 0.00 36.82 37.59 3dhw h ILE 69 CO -0.01 0.91 -0.10 -0.29 0.03 0.00 0.00 178.15 178.70 3dhw h ILE 70 N 0.00 1.27 -0.60 0.16 6.09 -1.96 0.17 117.51 122.64 3dhw h ILE 70 Ca -0.05 -1.26 -0.10 0.00 -1.37 0.00 0.00 64.86 62.08 3dhw h ILE 70 Cb 1.81 0.94 -0.02 0.00 0.47 0.00 0.00 36.82 40.02 3dhw h ILE 70 CO 0.13 0.45 -0.02 0.25 -3.07 0.00 0.00 178.15 175.89 3dhw h LEU 71 N 0.93 1.05 -0.02 2.19 5.85 -1.13 -2.64 115.31 121.55 3dhw h LEU 71 Ca 0.15 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3dhw h LEU 71 Cb 0.67 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3dhw h LEU 71 CO 0.05 1.11 0.01 0.25 -0.34 0.00 0.00 178.44 179.52 3dhw h LEU 72 N 0.97 0.03 -0.60 2.25 5.85 -0.87 0.25 115.31 123.18 3dhw h LEU 72 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dhw h LEU 72 Cb 0.58 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3dhw h LEU 72 CO 0.03 0.04 0.33 1.62 -0.34 0.00 0.00 178.44 180.12 3dhw h VAL 73 N 0.01 1.20 -0.93 1.05 3.04 -0.72 0.81 116.25 120.71 3dhw h VAL 73 Ca 0.01 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3dhw h VAL 73 Cb 0.02 0.43 -0.05 0.00 -2.01 0.00 0.00 31.29 29.68 3dhw h VAL 73 CO -0.00 0.22 0.59 -0.25 -1.01 0.00 0.00 177.57 177.11 3dhw h TRP 74 N 0.82 1.21 0.00 3.17 7.01 -1.04 0.56 115.95 127.67 3dhw h TRP 74 Ca 0.21 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 3dhw h TRP 74 Cb 0.05 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 3dhw h TRP 74 CO -0.01 0.79 -0.20 0.52 -2.79 0.00 0.00 178.44 176.75 3dhw h MET 75 N 1.28 0.00 -0.51 2.65 2.86 -0.15 -3.30 114.93 117.76 3dhw h MET 75 Ca 0.34 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.08 3dhw h MET 75 Cb -0.09 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.47 3dhw h MET 75 CO -0.07 0.20 -0.12 0.82 1.06 0.00 0.00 176.91 178.80 3dhw h ILE 76 N 0.00 0.49 -0.53 -1.22 2.04 0.15 4.14 117.51 122.59 3dhw h ILE 76 Ca -0.00 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 3dhw h ILE 76 Cb 0.63 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3dhw h ILE 76 CO 0.03 0.00 0.18 -0.65 0.00 0.00 0.00 178.15 177.70 3dhw h PRO 77 N 0.01 0.34 -0.93 2.37 0.11 -1.68 0.12 132.00 132.34 3dhw h PRO 77 Ca 0.25 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3dhw h PRO 77 Cb 0.38 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 3dhw h PRO 77 CO -0.52 0.22 0.57 0.74 -0.21 0.00 0.00 178.00 178.80 3dhw h PHE 78 N 0.35 1.22 -1.00 0.65 0.04 -0.15 -2.46 116.94 115.58 3dhw h PHE 78 Ca 0.26 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.05 3dhw h PHE 78 Cb 0.30 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 3dhw h PHE 78 CO -0.18 0.80 0.66 1.15 -0.60 0.00 0.00 178.31 180.15 3dhw h THR 79 N 1.28 1.24 -0.83 -1.55 2.02 1.02 -2.07 112.91 114.01 3dhw h THR 79 Ca 0.33 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3dhw h THR 79 Cb -0.07 -0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.08 3dhw h THR 79 CO -0.06 0.24 0.51 0.03 0.37 0.00 0.00 175.52 176.61 3dhw h ARG 80 N 1.34 1.12 0.00 6.66 3.08 -0.57 -2.88 114.38 123.12 3dhw h ARG 80 Ca 0.38 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 3dhw h ARG 80 Cb -0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 3dhw h ARG 80 CO -0.09 0.78 -0.41 -0.39 -1.07 0.00 0.00 179.97 178.79 3dhw h VAL 81 N 1.13 1.11 -3.32 2.04 -1.51 -1.21 -3.20 116.25 111.30 3dhw h VAL 81 Ca 0.30 -1.48 -0.64 0.00 -1.23 0.00 0.00 66.70 63.64 3dhw h VAL 81 Cb -0.06 1.84 -0.23 0.00 -2.13 0.00 0.00 31.29 30.71 3dhw h VAL 81 CO -0.06 0.40 -0.69 -0.63 -1.23 0.00 0.00 177.57 175.36 3dhw s ILE 82 N -3.86 3.69 0.00 7.19 1.01 -0.95 -4.78 121.20 123.51 3dhw s ILE 82 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3dhw s ILE 82 Cb 0.13 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.99 3dhw s ILE 82 CO 0.71 0.50 0.00 1.33 0.00 0.00 0.00 174.94 177.47 3dhw n VAL 83 N 3.59 0.00 -4.09 2.92 0.24 -1.26 -4.73 118.33 115.00 3dhw n VAL 83 Ca -0.18 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 3dhw n VAL 83 Cb 0.52 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 3dhw n VAL 83 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dhw s GLY 84 N 0.00 0.32 0.00 7.63 0.00 -1.10 -4.69 107.32 109.48 3dhw s GLY 84 Ca 0.00 -0.42 0.25 0.00 0.00 0.00 0.00 44.72 44.55 3dhw s GLY 84 CO 0.00 -0.42 1.42 -1.30 0.00 0.00 0.00 173.10 172.80 3dhw n THR 85 N 2.36 0.04 0.00 0.90 -2.24 -1.26 -4.41 114.28 109.67 3dhw n THR 85 Ca -0.17 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3dhw n THR 85 Cb 0.57 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3dhw n THR 85 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dhw n SER 86 N 0.98 0.00 -4.27 3.42 2.88 -1.26 -4.94 113.62 110.42 3dhw n SER 86 Ca 0.16 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.55 3dhw n SER 86 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3dhw n SER 86 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3dhw s ILE 87 N -0.93 1.28 0.00 2.46 1.01 -1.26 -4.52 121.20 119.24 3dhw s ILE 87 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.56 3dhw s ILE 87 Cb 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3dhw s ILE 87 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.86 3dhw n GLY 88 N -0.25 0.64 0.37 6.18 0.00 -1.21 -4.49 105.19 106.43 3dhw n GLY 88 Ca -0.09 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 3dhw n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dhw h LEU 89 N 0.00 1.14 -0.13 0.99 3.38 -1.94 0.51 115.31 119.26 3dhw h LEU 89 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dhw h LEU 89 Cb 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3dhw h LEU 89 CO 0.00 0.88 0.09 -0.61 0.09 0.00 0.00 178.44 178.89 3dhw h GLN 90 N 1.30 0.17 -0.40 1.13 5.75 -1.97 -1.69 115.11 119.40 3dhw h GLN 90 Ca 0.34 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.67 3dhw h GLN 90 Cb -0.04 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3dhw h GLN 90 CO -0.06 0.12 -0.37 0.00 -2.65 0.00 0.00 178.83 175.87 3dhw h ALA 91 N 1.04 0.58 -0.99 3.38 0.00 -1.73 -3.28 119.26 118.26 3dhw h ALA 91 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3dhw h ALA 91 Cb -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3dhw h ALA 91 CO -0.01 0.68 0.64 0.00 0.00 0.00 0.00 179.25 180.56 3dhw h ALA 92 N 0.78 1.26 -0.71 0.00 0.00 0.66 -2.39 119.26 118.86 3dhw h ALA 92 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dhw h ALA 92 Cb 0.97 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3dhw h ALA 92 CO 0.09 0.67 0.46 -0.84 0.00 0.00 0.00 179.25 179.63 3dhw h ILE 93 N 1.35 1.18 -0.49 0.00 3.07 -1.39 -2.33 117.51 118.91 3dhw h ILE 93 Ca 0.36 -0.35 0.10 0.00 1.55 0.00 0.00 64.86 66.52 3dhw h ILE 93 Cb -0.13 0.15 -0.09 0.00 -0.27 0.00 0.00 36.82 36.48 3dhw h ILE 93 CO -0.08 0.18 -0.12 0.58 -1.05 0.00 0.00 178.15 177.67 3dhw h VAL 94 N 0.96 0.52 0.00 0.16 2.07 -1.57 0.07 116.25 118.46 3dhw h VAL 94 Ca 0.26 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.70 3dhw h VAL 94 Cb -0.10 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3dhw h VAL 94 CO -0.05 0.00 -0.37 -0.65 0.02 0.00 0.00 177.57 176.51 3dhw h PRO 95 N 0.01 0.00 -0.57 1.57 0.11 -1.53 -2.93 132.00 128.65 3dhw h PRO 95 Ca 0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 3dhw h PRO 95 Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3dhw h PRO 95 CO -0.50 0.37 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.52 3dhw h LEU 96 N 0.00 1.05 -0.73 2.35 4.07 -0.99 -1.70 115.31 119.36 3dhw h LEU 96 Ca -0.00 -0.34 -0.06 0.00 0.08 0.00 0.00 57.88 57.56 3dhw h LEU 96 Cb 0.84 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 3dhw h LEU 96 CO 0.05 1.14 0.23 0.71 -1.08 0.00 0.00 178.44 179.49 3dhw h THR 97 N 0.94 1.26 -0.49 0.22 1.35 -0.86 0.12 112.91 115.45 3dhw h THR 97 Ca 0.15 -0.90 -0.13 0.00 -0.55 0.00 0.00 66.41 64.98 3dhw h THR 97 Cb 0.65 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 3dhw h THR 97 CO 0.04 0.35 -0.21 0.58 -0.25 0.00 0.00 175.52 176.04 3dhw h VAL 98 N 1.07 1.27 -0.75 6.82 2.07 -1.54 0.70 116.25 125.89 3dhw h VAL 98 Ca 0.23 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3dhw h VAL 98 Cb 0.30 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3dhw h VAL 98 CO -0.01 0.48 0.50 1.23 0.02 0.00 0.00 177.57 179.79 3dhw h GLY 99 N 0.87 1.06 1.80 2.17 0.00 -0.93 -1.32 103.07 106.72 3dhw h GLY 99 Ca 0.11 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3dhw h GLY 99 CO 0.07 0.38 -0.45 0.00 0.00 0.00 0.00 176.54 176.54 3dhw h ALA 100 N 1.53 1.08 -0.49 3.60 0.00 -0.12 -3.38 119.26 121.47 3dhw h ALA 100 Ca 0.28 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3dhw h ALA 100 Cb -0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.50 3dhw h ALA 100 CO -0.06 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.68 3dhw h ALA 101 N 1.36 0.33 -0.48 0.00 0.00 0.16 -0.22 119.26 120.40 3dhw h ALA 101 Ca 0.01 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3dhw h ALA 101 Cb 0.86 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3dhw h ALA 101 CO 0.07 -0.44 -0.20 -1.00 0.00 0.00 0.00 179.25 177.67 3dhw h PRO 102 N -0.00 0.99 -0.25 0.00 0.13 -1.73 0.05 132.00 131.18 3dhw h PRO 102 Ca 0.24 -0.41 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 3dhw h PRO 102 Cb 0.36 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3dhw h PRO 102 CO -0.51 1.09 0.15 0.74 -0.23 0.00 0.00 178.00 179.24 3dhw h PHE 103 N 0.85 0.28 -0.37 1.56 0.05 -1.63 -2.88 116.94 114.80 3dhw h PHE 103 Ca 0.11 0.01 -0.16 0.00 3.82 0.00 0.00 57.97 61.75 3dhw h PHE 103 Cb 0.78 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.63 3dhw h PHE 103 CO 0.05 0.17 -0.40 -0.84 -0.18 0.00 0.00 178.31 177.11 3dhw h ILE 104 N 0.31 1.27 -0.27 -0.55 3.07 -1.05 -2.98 117.51 117.31 3dhw h ILE 104 Ca 0.10 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.94 3dhw h ILE 104 Cb -0.01 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.95 3dhw h ILE 104 CO -0.05 0.52 0.18 0.00 -1.05 0.00 0.00 178.15 177.75 3dhw h ALA 105 N 0.76 0.34 -0.00 0.16 0.00 -0.77 -0.43 119.26 119.31 3dhw h ALA 105 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3dhw h ALA 105 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3dhw h ALA 105 CO 0.10 -0.19 -0.49 -0.09 0.00 0.00 0.00 179.25 178.58 3dhw h ARG 106 N 0.36 0.01 -1.00 0.00 2.43 -1.64 -0.89 114.38 113.65 3dhw h ARG 106 Ca 0.10 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3dhw h ARG 106 Cb -0.04 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3dhw h ARG 106 CO -0.02 0.50 0.66 0.52 -1.51 0.00 0.00 179.97 180.12 3dhw h MET 107 N 0.01 1.32 -0.78 0.20 2.86 -0.94 -0.86 114.93 116.74 3dhw h MET 107 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3dhw h MET 107 Cb 0.88 -0.30 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 3dhw h MET 107 CO 0.06 0.88 0.49 0.28 1.06 0.00 0.00 176.91 179.69 3dhw h VAL 108 N 1.36 1.21 -0.32 -2.22 2.07 -0.40 -1.92 116.25 116.03 3dhw h VAL 108 Ca 0.37 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3dhw h VAL 108 Cb -0.15 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 3dhw h VAL 108 CO -0.08 0.21 0.20 -0.08 0.02 0.00 0.00 177.57 177.84 3dhw h GLU 109 N 1.06 0.42 -0.85 1.57 4.81 -0.76 0.27 114.58 121.10 3dhw h GLU 109 Ca 0.28 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3dhw h GLU 109 Cb -0.08 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 3dhw h GLU 109 CO -0.06 0.29 0.42 -0.91 -0.73 0.00 0.00 179.01 178.03 3dhw h ASN 110 N 0.42 1.10 -0.44 1.04 2.35 -1.07 -0.23 115.58 118.75 3dhw h ASN 110 Ca 0.11 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3dhw h ASN 110 Cb -0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 3dhw h ASN 110 CO -0.02 0.91 0.28 0.00 -1.65 0.00 0.00 177.43 176.95 3dhw h ALA 111 N 1.23 0.55 -0.55 -0.83 0.00 -0.39 -1.10 119.26 118.17 3dhw h ALA 111 Ca 0.29 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3dhw h ALA 111 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dhw h ALA 111 CO -0.04 0.02 -0.09 -0.07 0.00 0.00 0.00 179.25 179.07 3dhw h LEU 112 N 0.58 1.04 -0.51 0.00 3.38 -0.14 -3.22 115.31 116.45 3dhw h LEU 112 Ca 0.16 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3dhw h LEU 112 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3dhw h LEU 112 CO -0.03 1.14 -0.21 -0.07 0.09 0.00 0.00 178.44 179.36 3dhw h LEU 113 N 0.92 1.02 -1.29 1.67 3.38 -1.01 -3.29 115.31 116.71 3dhw h LEU 113 Ca 0.14 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3dhw h LEU 113 Cb 0.66 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3dhw h LEU 113 CO 0.05 1.18 0.48 -0.33 0.09 0.00 0.00 178.44 179.91 3dhw h GLU 114 N 0.86 0.95 -6.91 1.13 5.08 -1.22 -3.43 114.58 111.04 3dhw h GLU 114 Ca 0.11 -0.06 -0.54 0.00 -1.00 0.00 0.00 59.36 57.88 3dhw h GLU 114 Cb 0.78 -0.22 0.10 0.00 0.50 0.00 0.00 28.75 29.92 3dhw h GLU 114 CO 0.07 0.63 0.82 -1.50 -1.00 0.00 0.00 179.01 178.02 3dhw s ILE 115 N -5.82 2.01 -0.58 3.13 -1.16 -1.22 -4.88 121.20 112.68 3dhw s ILE 115 Ca -0.11 0.01 -0.31 0.00 -0.51 0.00 0.00 60.65 59.73 3dhw s ILE 115 Cb 0.18 -3.01 -0.13 0.00 0.61 0.00 0.00 42.46 40.11 3dhw s ILE 115 CO 0.78 0.00 2.42 -2.65 -2.81 0.00 0.00 174.94 172.68 3dhw n PRO 116 N 0.86 0.76 0.00 3.50 -0.02 -1.26 -4.92 135.00 133.92 3dhw n PRO 116 Ca 0.03 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3dhw n PRO 116 Cb 0.39 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3dhw n PRO 116 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3dhw n THR 117 N 7.58 0.00 0.00 3.45 -1.04 -1.26 -3.48 114.28 119.53 3dhw n THR 117 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 3dhw n THR 117 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 3dhw n THR 117 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dhw n GLY 118 N 0.00 0.00 0.37 3.41 0.00 -1.26 0.21 105.19 107.92 3dhw n GLY 118 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dhw n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dhw h LEU 119 N 0.00 1.10 -0.80 0.99 3.38 -1.97 1.75 115.31 119.76 3dhw h LEU 119 Ca 0.00 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3dhw h LEU 119 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dhw h LEU 119 CO 0.00 0.80 -0.52 0.40 0.09 0.00 0.00 178.44 179.21 3dhw h ILE 120 N 1.29 1.19 0.00 1.22 2.04 -0.27 -2.71 117.51 120.27 3dhw h ILE 120 Ca 0.35 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3dhw h ILE 120 Cb -0.14 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3dhw h ILE 120 CO -0.07 0.51 0.00 -0.62 0.00 0.00 0.00 178.15 177.97 3dhw n GLU 121 N -3.66 0.28 0.14 2.37 -0.58 0.51 0.70 120.64 120.40 3dhw n GLU 121 Ca -0.01 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.95 3dhw n GLU 121 Cb 0.58 -1.50 0.53 0.00 -0.57 0.00 0.00 31.44 30.48 3dhw n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dhw n ALA 122 N -1.28 1.46 -0.31 0.62 0.00 0.35 -1.15 120.51 120.19 3dhw n ALA 122 Ca 0.09 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dhw n ALA 122 Cb 0.15 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.42 3dhw n ALA 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dhw h SER 123 N 0.00 1.02 -0.90 0.00 4.64 0.09 -2.15 113.55 116.24 3dhw h SER 123 Ca 0.00 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dhw h SER 123 Cb 0.25 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 3dhw h SER 123 CO 0.00 0.72 0.59 -0.09 -0.87 0.00 0.00 176.83 177.19 3dhw h ARG 124 N 1.19 1.19 -0.63 4.77 2.43 -1.31 0.65 114.38 122.67 3dhw h ARG 124 Ca 0.34 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3dhw h ARG 124 Cb -0.09 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.16 3dhw h ARG 124 CO -0.08 0.79 0.42 0.00 -1.51 0.00 0.00 179.97 179.59 3dhw h ALA 125 N 1.43 1.63 -1.00 2.80 0.00 -1.41 0.52 119.26 123.21 3dhw h ALA 125 Ca 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3dhw h ALA 125 Cb -0.14 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 3dhw h ALA 125 CO -0.07 0.32 0.67 0.52 0.00 0.00 0.00 179.25 180.68 3dhw h MET 126 N 0.78 1.31 0.00 0.00 2.86 0.69 -3.45 114.93 117.12 3dhw h MET 126 Ca 0.25 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3dhw h MET 126 Cb 0.03 -0.30 0.00 0.00 0.06 0.00 0.00 31.60 31.39 3dhw h MET 126 CO -0.06 0.87 0.00 0.41 1.06 0.00 0.00 176.91 179.18 3dhw n GLY 127 N -1.38 0.70 0.37 8.32 0.00 0.16 -5.07 105.19 108.30 3dhw n GLY 127 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dhw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw h ALA 128 N 0.00 1.35 -4.14 4.61 0.00 -1.33 -3.49 119.26 116.25 3dhw h ALA 128 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dhw h ALA 128 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dhw h ALA 128 CO 0.00 0.57 -0.89 0.25 0.00 0.00 0.00 179.25 179.18 3dhw n THR 129 N -4.43-12.80 0.00 0.00 -2.24 -1.26 -4.23 114.28 89.32 3dhw n THR 129 Ca 0.13 3.17 0.00 0.00 -2.27 0.00 0.00 64.05 65.08 3dhw n THR 129 Cb 0.08 -5.37 0.00 0.00 -2.10 0.00 0.00 70.33 62.94 3dhw n THR 129 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3dhw n PRO 130 N 1.76 0.00 0.00 -0.78 -0.04 -1.26 -1.47 135.00 133.21 3dhw n PRO 130 Ca 0.00 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3dhw n PRO 130 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3dhw n PRO 130 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dhw n MET 131 N -2.16 0.00 -0.25 0.54 2.81 -1.26 0.14 117.12 116.94 3dhw n MET 131 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 3dhw n MET 131 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.56 3dhw n MET 131 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3dhw h GLN 132 N 0.00 1.14 0.12 0.03 1.08 -1.96 0.90 115.11 116.43 3dhw h GLN 132 Ca 0.00 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3dhw h GLN 132 Cb 0.00 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3dhw h GLN 132 CO 0.00 1.01 -0.37 0.82 -0.95 0.00 0.00 178.83 179.34 3dhw h ILE 133 N 1.08 0.00 -0.27 2.54 2.04 -1.73 3.33 117.51 124.50 3dhw h ILE 133 Ca 0.22 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.96 3dhw h ILE 133 Cb 0.39 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3dhw h ILE 133 CO 0.00 0.00 -0.32 0.58 0.00 0.00 0.00 178.15 178.42 3dhw h VAL 134 N -0.56 1.30 -0.40 1.67 2.07 0.24 -2.66 116.25 117.92 3dhw h VAL 134 Ca -0.01 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 3dhw h VAL 134 Cb 0.55 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3dhw h VAL 134 CO -0.18 0.48 0.02 0.03 0.02 0.00 0.00 177.57 177.93 3dhw h ARG 135 N 0.43 0.70 -0.69 1.57 2.47 0.10 0.24 114.38 119.20 3dhw h ARG 135 Ca 0.04 -0.21 -0.08 0.00 -1.26 0.00 0.00 59.98 58.47 3dhw h ARG 135 Cb 0.89 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 3dhw h ARG 135 CO 0.08 0.77 0.13 -0.22 0.56 0.00 0.00 179.97 181.29 3dhw h LYS 136 N 0.53 1.12 -0.00 0.04 3.64 0.61 -2.03 116.57 120.48 3dhw h LYS 136 Ca 0.12 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3dhw h LYS 136 Cb 0.45 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3dhw h LYS 136 CO 0.02 1.02 -0.14 1.33 -2.27 0.00 0.00 179.45 179.40 3dhw n VAL 137 N -4.22 0.00 -0.13 2.00 0.24 -1.00 -3.52 118.33 111.70 3dhw n VAL 137 Ca 0.05 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 3dhw n VAL 137 Cb 0.28 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 3dhw n VAL 137 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3dhw h LEU 138 N 0.34 1.01 -0.36 1.34 3.38 -0.20 -3.37 115.31 117.45 3dhw h LEU 138 Ca 0.00 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.59 3dhw h LEU 138 Cb 0.40 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3dhw h LEU 138 CO 0.00 1.25 -0.09 -0.07 0.09 0.00 0.00 178.44 179.62 3dhw h LEU 139 N 0.78 -0.35 -0.85 1.67 3.38 -1.56 0.17 115.31 118.55 3dhw h LEU 139 Ca 0.07 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3dhw h LEU 139 Cb 0.95 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 3dhw h LEU 139 CO 0.09 -0.12 -0.57 -0.65 0.09 0.00 0.00 178.44 177.27 3dhw h PRO 140 N -0.00 -0.10 -0.81 1.13 0.11 -1.72 2.00 132.00 132.61 3dhw h PRO 140 Ca 0.17 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3dhw h PRO 140 Cb 0.27 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 3dhw h PRO 140 CO -0.38 -0.06 0.33 0.93 -0.21 0.00 0.00 178.00 178.61 3dhw h GLU 141 N -0.10 1.20 -0.83 1.05 4.39 -1.67 -3.23 114.58 115.39 3dhw h GLU 141 Ca 0.15 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3dhw h GLU 141 Cb 0.46 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3dhw h GLU 141 CO -0.86 0.96 0.55 0.00 -1.16 0.00 0.00 179.01 178.51 3dhw h ALA 142 N 1.18 1.06 -0.98 3.43 0.00 0.38 -3.28 119.26 121.04 3dhw h ALA 142 Ca 0.27 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.24 3dhw h ALA 142 Cb 0.20 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 3dhw h ALA 142 CO -0.02 0.46 0.61 -0.07 0.00 0.00 0.00 179.25 180.23 3dhw h LEU 143 N 1.12 0.90 -1.88 0.00 3.38 0.27 -0.36 115.31 118.75 3dhw h LEU 143 Ca 0.31 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3dhw h LEU 143 Cb -0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3dhw h LEU 143 CO -0.07 0.49 0.02 1.55 0.09 0.00 0.00 178.44 180.52 3dhw h PRO 144 N 0.98 0.09 -0.58 1.13 0.13 -1.74 0.34 132.00 132.34 3dhw h PRO 144 Ca 0.48 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.51 3dhw h PRO 144 Cb 0.46 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 3dhw h PRO 144 CO -0.26 0.08 -0.03 0.78 -0.23 0.00 0.00 178.00 178.35 3dhw h GLY 145 N 0.16 1.13 1.15 1.56 0.00 -1.61 -3.08 103.07 102.39 3dhw h GLY 145 Ca 0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 47.33 46.32 3dhw h GLY 145 CO -0.00 0.79 -0.48 1.41 0.00 0.00 0.00 176.54 178.25 3dhw h LEU 146 N 0.94 0.99 -0.73 3.11 3.38 -0.13 -1.60 115.31 121.26 3dhw h LEU 146 Ca 0.16 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 3dhw h LEU 146 Cb 0.59 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dhw h LEU 146 CO 0.04 1.30 0.21 0.58 0.09 0.00 0.00 178.44 180.66 3dhw h VAL 147 N 0.71 1.26 -0.50 1.22 2.07 -0.41 -0.62 116.25 119.99 3dhw h VAL 147 Ca 0.03 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 3dhw h VAL 147 Cb 1.09 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3dhw h VAL 147 CO 0.11 0.37 -0.12 -1.13 0.02 0.00 0.00 177.57 176.82 3dhw h ASN 148 N 1.10 0.94 -0.01 0.57 -1.24 -1.44 -2.36 115.58 113.14 3dhw h ASN 148 Ca 0.23 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3dhw h ASN 148 Cb 0.33 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 3dhw h ASN 148 CO -0.00 1.06 -0.01 0.00 -1.29 0.00 0.00 177.43 177.19 3dhw h ALA 149 N 1.02 0.00 -0.55 1.57 0.00 -0.36 -2.38 119.26 118.57 3dhw h ALA 149 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3dhw h ALA 149 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dhw h ALA 149 CO 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 179.25 178.76 3dhw h ALA 150 N 1.00 0.91 -0.96 0.00 0.00 -1.13 -2.82 119.26 116.27 3dhw h ALA 150 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dhw h ALA 150 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3dhw h ALA 150 CO -0.02 0.64 0.61 0.00 0.00 0.00 0.00 179.25 180.49 3dhw h THR 151 N 0.88 1.25 -0.48 0.00 1.03 -1.35 -2.67 112.91 111.57 3dhw h THR 151 Ca 0.15 -0.49 -0.09 0.00 -0.01 0.00 0.00 66.41 65.97 3dhw h THR 151 Cb 0.56 -0.14 -0.02 0.00 -1.07 0.00 0.00 68.15 67.48 3dhw h THR 151 CO 0.03 0.25 -0.08 0.16 -0.01 0.00 0.00 175.52 175.88 3dhw h ILE 152 N 1.31 1.26 -0.42 0.00 3.07 -1.24 -2.70 117.51 118.79 3dhw h ILE 152 Ca 0.35 -1.15 0.02 0.00 1.55 0.00 0.00 64.86 65.62 3dhw h ILE 152 Cb -0.12 0.97 -0.02 0.00 -0.27 0.00 0.00 36.82 37.38 3dhw h ILE 152 CO -0.07 0.40 0.28 0.71 -1.05 0.00 0.00 178.15 178.42 3dhw h THR 153 N 0.78 1.07 -0.93 0.16 1.35 -1.26 0.12 112.91 114.21 3dhw h THR 153 Ca 0.13 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.81 3dhw h THR 153 Cb 0.57 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 3dhw h THR 153 CO 0.04 0.09 0.53 -0.07 -0.25 0.00 0.00 175.52 175.86 3dhw h LEU 154 N 0.52 1.14 -0.54 3.87 3.38 -1.14 3.06 115.31 125.59 3dhw h LEU 154 Ca 0.16 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3dhw h LEU 154 Cb 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dhw h LEU 154 CO -0.04 0.89 -0.43 0.16 0.09 0.00 0.00 178.44 179.11 3dhw h ILE 155 N 1.29 1.29 -0.30 1.22 3.07 -0.75 -1.53 117.51 121.80 3dhw h ILE 155 Ca 0.33 -1.62 -0.15 0.00 1.55 0.00 0.00 64.86 64.97 3dhw h ILE 155 Cb -0.01 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.07 3dhw h ILE 155 CO -0.06 0.52 -0.43 0.71 -1.05 0.00 0.00 178.15 177.84 3dhw h THR 156 N 0.56 1.29 -0.86 0.16 1.35 -0.46 -2.40 112.91 112.55 3dhw h THR 156 Ca 0.04 -1.62 -0.01 0.00 -0.55 0.00 0.00 66.41 64.27 3dhw h THR 156 Cb 0.97 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.87 3dhw h THR 156 CO 0.09 0.52 0.48 -0.07 -0.25 0.00 0.00 175.52 176.30 3dhw h LEU 157 N 0.61 1.06 -0.67 3.87 3.38 0.60 0.22 115.31 124.38 3dhw h LEU 157 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dhw h LEU 157 Cb 0.99 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3dhw h LEU 157 CO 0.09 0.85 0.36 0.58 0.09 0.00 0.00 178.44 180.41 3dhw h VAL 158 N 1.20 1.21 -0.53 1.22 2.07 -1.33 -2.23 116.25 117.85 3dhw h VAL 158 Ca 0.30 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3dhw h VAL 158 Cb 0.01 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3dhw h VAL 158 CO -0.05 0.23 0.35 1.23 0.02 0.00 0.00 177.57 179.35 3dhw h GLY 159 N 0.91 0.74 1.01 2.17 0.00 -1.03 0.95 103.07 107.83 3dhw h GLY 159 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3dhw h GLY 159 CO -0.04 0.26 0.60 -1.82 0.00 0.00 0.00 176.54 175.54 3dhw h TYR 160 N 0.69 1.22 -0.33 5.60 5.03 -0.36 -1.94 116.97 126.88 3dhw h TYR 160 Ca 0.20 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 3dhw h TYR 160 Cb -0.04 -0.41 -0.02 0.00 1.55 0.00 0.00 36.73 37.82 3dhw h TYR 160 CO -0.00 0.79 -0.05 0.66 -1.32 0.00 0.00 178.16 178.25 3dhw h SER 161 N 1.30 0.51 -0.93 -2.11 4.64 -0.51 -1.21 113.55 115.23 3dhw h SER 161 Ca 0.34 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3dhw h SER 161 Cb -0.10 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 3dhw h SER 161 CO -0.07 0.61 0.62 0.00 -0.87 0.00 0.00 176.83 177.12 3dhw h ALA 162 N 1.45 1.35 -0.16 5.18 0.00 -1.09 1.64 119.26 127.63 3dhw h ALA 162 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dhw h ALA 162 Cb 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dhw h ALA 162 CO 0.02 0.59 -0.10 0.52 0.00 0.00 0.00 179.25 180.28 3dhw h MET 163 N 1.24 0.25 0.00 0.00 2.07 -1.13 -3.42 114.93 113.95 3dhw h MET 163 Ca 0.35 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.93 3dhw h MET 163 Cb -0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.58 3dhw h MET 163 CO -0.08 0.36 0.00 0.41 1.07 0.00 0.00 176.91 178.67 3dhw n GLY 164 N -0.94 -3.01 2.54 8.32 0.00 0.56 -4.47 105.19 108.19 3dhw n GLY 164 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3dhw n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhw n GLY 165 N 0.00 0.51 2.67 -0.02 0.00 -1.21 -4.80 105.19 102.34 3dhw n GLY 165 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3dhw n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw n ALA 166 N 1.00 0.50 -0.32 4.61 0.00 -1.26 -4.56 120.51 120.48 3dhw n ALA 166 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 53.44 51.82 3dhw n ALA 166 Cb 0.08 0.73 0.09 0.00 0.00 0.00 0.00 19.45 20.35 3dhw n ALA 166 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3dhw h VAL 167 N 0.81 1.21 -0.12 0.00 3.04 -1.97 -1.79 116.25 117.43 3dhw h VAL 167 Ca -0.27 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3dhw h VAL 167 Cb 0.91 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3dhw h VAL 167 CO 0.43 0.21 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 3dhw n GLY 168 N -1.34 0.88 3.77 3.17 0.00 -1.26 -4.65 105.19 105.77 3dhw n GLY 168 Ca 0.09 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3dhw n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw s ALA 169 N -1.53 4.19 0.00 4.61 0.00 -0.68 -4.40 121.76 123.95 3dhw s ALA 169 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3dhw s ALA 169 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3dhw s ALA 169 CO 0.04 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3dhw n GLY 170 N -1.29 3.26 7.00 0.00 0.00 -1.26 -3.30 105.19 109.61 3dhw n GLY 170 Ca -0.20 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3dhw n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhw n GLY 171 N 0.00 -0.17 0.35 -0.02 0.00 -1.26 -3.92 105.19 100.16 3dhw n GLY 171 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3dhw n GLY 171 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dhw h LEU 172 N 0.00 0.87 -0.99 0.99 6.46 -1.90 -1.59 115.31 119.15 3dhw h LEU 172 Ca 0.00 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3dhw h LEU 172 Cb 0.00 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.66 3dhw h LEU 172 CO 0.00 0.64 0.65 1.23 -0.62 0.00 0.00 178.44 180.35 3dhw h GLY 173 N 1.03 1.40 1.08 3.75 0.00 -1.77 0.13 103.07 108.69 3dhw h GLY 173 Ca 0.27 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3dhw h GLY 173 CO -0.06 0.50 0.03 1.46 0.00 0.00 0.00 176.54 178.47 3dhw h GLN 174 N 1.33 1.08 -0.53 4.80 4.20 -1.41 1.42 115.11 125.99 3dhw h GLN 174 Ca 0.37 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3dhw h GLN 174 Cb -0.14 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3dhw h GLN 174 CO -0.08 1.04 0.35 0.82 -0.67 0.00 0.00 178.83 180.28 3dhw h ILE 175 N 0.98 1.13 -0.45 2.54 5.03 -1.25 1.24 117.51 126.73 3dhw h ILE 175 Ca 0.18 -0.25 -0.14 0.00 -0.12 0.00 0.00 64.86 64.53 3dhw h ILE 175 Cb 0.53 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 3dhw h ILE 175 CO 0.03 0.13 -0.28 1.23 -0.68 0.00 0.00 178.15 178.58 3dhw h GLY 176 N 0.71 1.07 1.00 5.37 0.00 -0.44 -3.01 103.07 107.77 3dhw h GLY 176 Ca 0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 3dhw h GLY 176 CO -0.05 0.91 -0.04 -1.82 0.00 0.00 0.00 176.54 175.54 3dhw h TYR 177 N 0.83 -0.10 0.33 5.60 5.03 0.23 0.42 116.97 129.31 3dhw h TYR 177 Ca 0.09 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 3dhw h TYR 177 Cb 0.87 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.19 3dhw h TYR 177 CO 0.06 -0.06 -0.16 0.37 -1.32 0.00 0.00 178.16 177.05 3dhw h GLN 178 N -0.11 -0.43 -0.38 1.82 4.15 0.15 2.24 115.11 122.55 3dhw h GLN 178 Ca -0.01 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.28 3dhw h GLN 178 Cb 0.08 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3dhw h GLN 178 CO 0.02 -0.12 -0.38 1.88 -1.93 0.00 0.00 178.83 178.30 3dhw h TYR 179 N -0.79 1.11 0.20 3.99 0.05 -1.54 -2.24 116.97 117.76 3dhw h TYR 179 Ca -0.05 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 3dhw h TYR 179 Cb 0.52 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3dhw h TYR 179 CO 0.02 1.16 -0.10 0.78 -1.05 0.00 0.00 178.16 178.97 3dhw h GLY 180 N 0.74 -0.29 0.98 3.88 0.00 -0.11 -2.51 103.07 105.77 3dhw h GLY 180 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3dhw h GLY 180 CO 0.09 -0.10 0.07 -1.82 0.00 0.00 0.00 176.54 174.78 3dhw h TYR 181 N -0.72 0.13 -3.43 5.60 3.20 0.37 -3.41 116.97 118.72 3dhw h TYR 181 Ca -0.03 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.33 3dhw h TYR 181 Cb 0.49 -0.04 -0.33 0.00 1.54 0.00 0.00 36.73 38.38 3dhw h TYR 181 CO 0.05 0.10 -0.81 0.96 -1.64 0.00 0.00 178.16 176.82 3dhw s ILE 182 N -6.11 1.14 0.00 1.81 -4.36 -0.84 -4.89 121.20 107.95 3dhw s ILE 182 Ca -0.13 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 3dhw s ILE 182 Cb 0.07 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.74 3dhw s ILE 182 CO 0.68 0.36 0.00 0.61 0.24 0.00 0.00 174.94 176.82 3dhw n GLY 183 N 3.80 0.81 3.68 6.27 0.00 -1.19 -3.41 105.19 115.14 3dhw n GLY 183 Ca -0.23 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3dhw n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhw s TYR 184 N -2.43 2.95 -0.21 1.61 2.02 -0.95 -4.30 117.35 116.03 3dhw s TYR 184 Ca 0.00 1.01 -0.01 0.00 -0.37 0.00 0.00 57.07 57.70 3dhw s TYR 184 Cb 0.00 -3.53 0.01 0.00 -0.40 0.00 0.00 41.96 38.05 3dhw s TYR 184 CO 0.00 -1.82 -0.12 -0.80 -1.57 0.00 0.00 175.55 171.25 3dhw s ASN 185 N 1.82 3.79 0.35 2.29 0.01 -1.26 -4.94 114.94 117.00 3dhw s ASN 185 Ca 0.58 -0.61 0.26 0.00 -0.71 0.00 0.00 52.86 52.37 3dhw s ASN 185 Cb -0.26 -1.61 1.23 0.00 0.41 0.00 0.00 41.25 41.03 3dhw s ASN 185 CO 0.21 -0.03 1.78 0.00 -1.51 0.00 0.00 177.10 177.54 3dhw h ALA 186 N 8.01 1.00 -2.08 0.60 0.00 -1.98 -1.25 119.26 123.56 3dhw h ALA 186 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dhw h ALA 186 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dhw h ALA 186 CO 0.61 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.11 3dhw n THR 187 N -2.40 0.00 -0.37 0.00 -2.24 -1.26 -4.14 114.28 103.86 3dhw n THR 187 Ca -0.00 0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.92 3dhw n THR 187 Cb 0.14 -0.81 0.12 0.00 -2.10 0.00 0.00 70.33 67.68 3dhw n THR 187 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3dhw h VAL 188 N 0.00 1.24 -0.64 2.28 -1.51 -1.97 -2.07 116.25 113.58 3dhw h VAL 188 Ca 0.00 -0.46 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 3dhw h VAL 188 Cb 0.00 -0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 28.91 3dhw h VAL 188 CO 0.00 0.24 0.42 -0.03 -1.23 0.00 0.00 177.57 176.97 3dhw h MET 189 N 1.33 0.83 -0.90 5.19 -1.53 -1.50 -1.97 114.93 116.38 3dhw h MET 189 Ca 0.37 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.59 3dhw h MET 189 Cb -0.12 -0.19 -0.04 0.00 -0.55 0.00 0.00 31.60 30.70 3dhw h MET 189 CO -0.09 0.55 0.57 -0.91 0.14 0.00 0.00 176.91 177.17 3dhw h ASN 190 N 0.86 1.05 -1.00 1.39 4.21 -1.53 -2.38 115.58 118.18 3dhw h ASN 190 Ca 0.24 -0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.71 3dhw h ASN 190 Cb -0.09 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 36.79 3dhw h ASN 190 CO -0.05 0.78 0.66 0.71 -1.29 0.00 0.00 177.43 178.24 3dhw h THR 191 N 1.22 1.25 -0.29 2.81 1.35 -0.72 0.36 112.91 118.90 3dhw h THR 191 Ca 0.33 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3dhw h THR 191 Cb -0.10 -0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.09 3dhw h THR 191 CO -0.07 0.25 0.19 0.58 -0.25 0.00 0.00 175.52 176.22 3dhw h VAL 192 N 1.35 1.08 -0.12 6.82 2.07 -1.06 0.51 116.25 126.89 3dhw h VAL 192 Ca 0.37 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3dhw h VAL 192 Cb -0.14 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3dhw h VAL 192 CO -0.08 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.60 3dhw h LEU 193 N 0.39 0.14 -0.44 2.57 3.38 -0.22 0.02 115.31 121.14 3dhw h LEU 193 Ca 0.11 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3dhw h LEU 193 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dhw h LEU 193 CO -0.02 0.10 -0.29 0.58 0.09 0.00 0.00 178.44 178.90 3dhw h VAL 194 N 0.17 1.27 0.00 1.22 2.07 -0.35 -1.07 116.25 119.56 3dhw h VAL 194 Ca 0.04 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3dhw h VAL 194 Cb -0.02 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3dhw h VAL 194 CO -0.01 0.50 -0.02 0.25 0.02 0.00 0.00 177.57 178.31 3dhw h LEU 195 N 0.82 -0.06 -0.37 2.57 5.85 0.16 -2.64 115.31 121.64 3dhw h LEU 195 Ca 0.09 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3dhw h LEU 195 Cb 0.88 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3dhw h LEU 195 CO 0.08 -0.03 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.70 3dhw h LEU 196 N -0.04 0.98 -0.79 2.25 3.38 -0.78 -1.40 115.31 118.91 3dhw h LEU 196 Ca 0.01 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3dhw h LEU 196 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3dhw h LEU 196 CO -0.02 1.24 0.51 0.58 0.09 0.00 0.00 178.44 180.84 3dhw h VAL 197 N 0.73 1.21 0.00 1.22 2.07 -1.15 0.21 116.25 120.53 3dhw h VAL 197 Ca 0.06 -0.40 -0.20 0.00 0.82 0.00 0.00 66.70 66.98 3dhw h VAL 197 Cb 0.97 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3dhw h VAL 197 CO 0.09 0.20 -0.94 0.16 0.02 0.00 0.00 177.57 177.11 3dhw h ILE 198 N 1.07 1.67 -0.97 4.57 3.07 -1.47 -2.27 117.51 123.18 3dhw h ILE 198 Ca 0.29 -3.23 0.00 0.00 1.55 0.00 0.00 64.86 63.47 3dhw h ILE 198 Cb -0.10 2.74 -0.05 0.00 -0.27 0.00 0.00 36.82 39.14 3dhw h ILE 198 CO -0.06 0.92 0.62 0.25 -1.05 0.00 0.00 178.15 178.84 3dhw h LEU 199 N 0.00 1.13 -0.04 0.16 5.85 -0.39 0.28 115.31 122.31 3dhw h LEU 199 Ca -0.01 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3dhw h LEU 199 Cb 1.67 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3dhw h LEU 199 CO 0.12 0.84 0.02 0.58 -0.34 0.00 0.00 178.44 179.66 3dhw h VAL 200 N 1.33 1.06 -0.95 1.05 2.07 -0.46 -1.02 116.25 119.32 3dhw h VAL 200 Ca 0.35 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3dhw h VAL 200 Cb -0.12 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3dhw h VAL 200 CO -0.07 0.05 0.57 1.88 0.02 0.00 0.00 177.57 180.02 3dhw h TYR 201 N -0.00 1.26 -0.93 1.57 0.05 -0.76 -2.21 116.97 115.94 3dhw h TYR 201 Ca 0.01 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3dhw h TYR 201 Cb 0.06 -0.41 -0.05 0.00 1.01 0.00 0.00 36.73 37.34 3dhw h TYR 201 CO -0.06 0.83 0.58 -0.07 -1.05 0.00 0.00 178.16 178.39 3dhw h LEU 202 N 1.32 1.11 -0.42 3.88 3.38 -0.11 -1.18 115.31 123.28 3dhw h LEU 202 Ca 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dhw h LEU 202 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3dhw h LEU 202 CO -0.06 0.84 0.28 0.40 0.09 0.00 0.00 178.44 179.98 3dhw h ILE 203 N 1.28 1.11 -0.64 1.22 2.04 -0.60 0.37 117.51 122.29 3dhw h ILE 203 Ca 0.34 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3dhw h ILE 203 Cb -0.08 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3dhw h ILE 203 CO -0.07 0.11 0.38 -0.61 0.00 0.00 0.00 178.15 177.96 3dhw h GLN 204 N 0.57 0.88 0.00 2.37 4.15 -0.95 -2.81 115.11 119.32 3dhw h GLN 204 Ca 0.15 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3dhw h GLN 204 Cb -0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3dhw h GLN 204 CO -0.03 0.64 -0.33 0.74 -1.93 0.00 0.00 178.83 177.92 3dhw h PHE 205 N 0.88 0.00 -0.98 3.99 0.04 -1.08 -3.06 116.94 116.73 3dhw h PHE 205 Ca 0.23 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.01 3dhw h PHE 205 Cb -0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3dhw h PHE 205 CO -0.01 0.33 0.64 0.00 -0.60 0.00 0.00 178.31 178.67 3dhw h ALA 206 N 1.67 1.30 -3.00 2.45 0.00 0.00 -3.39 119.26 118.30 3dhw h ALA 206 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dhw h ALA 206 Cb 0.73 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dhw h ALA 206 CO 0.04 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3dhw n GLY 207 N -1.38 -2.13 3.92 0.00 0.00 -1.16 -5.09 105.19 99.36 3dhw n GLY 207 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dhw n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54