#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 0.00 0.19 1.12 4.06 -2.06 0.39 115.95 119.64 3dhw h TRP 7 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3dhw h TRP 7 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3dhw h TRP 7 CO 0.00 0.00 -0.09 1.37 -3.56 0.00 0.00 178.44 176.16 3dhw h LEU 8 N 0.00 -0.21 -0.94 -4.49 -0.00 -2.06 -2.84 115.31 104.76 3dhw h LEU 8 Ca 0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3dhw h LEU 8 Cb 0.65 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 3dhw h LEU 8 CO -0.00 -0.14 0.62 -0.07 -0.00 0.00 0.00 178.44 178.85 3dhw h LEU 9 N -0.26 1.09 -0.87 0.17 3.38 -0.68 -2.40 115.31 115.73 3dhw h LEU 9 Ca -0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dhw h LEU 9 Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3dhw h LEU 9 CO 0.04 0.79 0.42 0.58 0.09 0.00 0.00 178.44 180.37 3dhw h VAL 10 N 1.28 1.26 -0.99 1.22 2.07 -1.40 -1.82 116.25 117.88 3dhw h VAL 10 Ca 0.34 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3dhw h VAL 10 Cb -0.14 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 3dhw h VAL 10 CO -0.07 0.31 0.64 0.03 0.02 0.00 0.00 177.57 178.49 3dhw h ARG 11 N 1.22 1.31 -0.50 1.57 3.08 -1.18 -0.10 114.38 119.79 3dhw h ARG 11 Ca 0.30 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 3dhw h ARG 11 Cb 0.10 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3dhw h ARG 11 CO -0.04 0.88 0.25 0.78 -1.07 0.00 0.00 179.97 180.77 3dhw h GLY 12 N 1.35 0.76 1.01 0.04 0.00 -1.47 -0.89 103.07 103.88 3dhw h GLY 12 Ca 0.36 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dhw h GLY 12 CO -0.07 0.35 0.61 -2.08 0.00 0.00 0.00 176.54 175.35 3dhw h VAL 13 N 0.66 1.25 0.00 4.60 2.07 -0.64 0.49 116.25 124.68 3dhw h VAL 13 Ca 0.17 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3dhw h VAL 13 Cb 0.11 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3dhw h VAL 13 CO -0.02 0.24 -0.00 -0.25 0.02 0.00 0.00 177.57 177.56 3dhw h TRP 14 N 1.28 -0.01 -0.61 1.57 2.91 -0.70 -2.54 115.95 117.85 3dhw h TRP 14 Ca 0.34 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.28 3dhw h TRP 14 Cb -0.13 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 3dhw h TRP 14 CO -0.00 0.01 0.05 0.93 -1.03 0.00 0.00 178.44 178.39 3dhw h GLU 15 N -0.02 1.05 -0.95 2.65 5.08 -0.06 -2.24 114.58 120.08 3dhw h GLU 15 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3dhw h GLU 15 Cb 0.01 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3dhw h GLU 15 CO 0.00 1.00 0.61 1.15 -1.00 0.00 0.00 179.01 180.78 3dhw h THR 16 N 0.95 1.25 0.00 1.13 2.02 0.08 0.24 112.91 118.57 3dhw h THR 16 Ca 0.18 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3dhw h THR 16 Cb 0.50 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3dhw h THR 16 CO 0.02 0.25 -0.20 -0.07 0.37 0.00 0.00 175.52 175.89 3dhw h LEU 17 N 1.30 0.00 -1.93 2.58 3.38 -1.45 -1.93 115.31 117.26 3dhw h LEU 17 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3dhw h LEU 17 Cb -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dhw h LEU 17 CO -0.07 0.20 0.05 0.00 0.09 0.00 0.00 178.44 178.71 3dhw h ALA 18 N 1.80 1.96 -0.85 1.53 0.00 0.08 -2.60 119.26 121.19 3dhw h ALA 18 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dhw h ALA 18 Cb 0.63 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3dhw h ALA 18 CO 0.03 0.04 0.41 0.52 0.00 0.00 0.00 179.25 180.24 3dhw h MET 19 N 0.09 1.22 -0.55 0.00 2.86 -0.63 -2.52 114.93 115.41 3dhw h MET 19 Ca 0.03 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3dhw h MET 19 Cb 0.01 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 3dhw h MET 19 CO -0.01 0.93 0.34 1.15 1.06 0.00 0.00 176.91 180.39 3dhw h THR 20 N 1.20 1.15 -0.03 2.22 2.02 -1.54 0.45 112.91 118.38 3dhw h THR 20 Ca 0.29 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3dhw h THR 20 Cb 0.11 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3dhw h THR 20 CO -0.04 0.15 0.02 -0.26 0.37 0.00 0.00 175.52 175.77 3dhw h PHE 21 N 0.74 0.04 -0.24 3.16 0.04 -1.38 -2.56 116.94 116.73 3dhw h PHE 21 Ca 0.20 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 3dhw h PHE 21 Cb -0.05 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3dhw h PHE 21 CO -0.03 0.04 -0.25 -0.39 -0.60 0.00 0.00 178.31 177.08 3dhw h VAL 22 N 0.03 1.32 -0.98 -0.55 -1.51 -1.31 -3.30 116.25 109.95 3dhw h VAL 22 Ca 0.01 -1.42 0.01 0.00 -1.23 0.00 0.00 66.70 64.07 3dhw h VAL 22 Cb 0.01 1.68 -0.05 0.00 -2.13 0.00 0.00 31.29 30.80 3dhw h VAL 22 CO -0.00 0.44 0.64 0.28 -1.23 0.00 0.00 177.57 177.70 3dhw h SER 23 N 0.30 1.14 -0.90 4.19 0.02 -0.02 -1.07 113.55 117.21 3dhw h SER 23 Ca 0.04 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3dhw h SER 23 Cb 0.81 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3dhw h SER 23 CO 0.06 0.83 0.59 1.23 -1.14 0.00 0.00 176.83 178.41 3dhw h GLY 24 N 1.34 1.27 0.00 -3.77 0.00 -1.55 0.76 103.07 101.12 3dhw h GLY 24 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3dhw h GLY 24 CO -0.08 0.47 0.00 0.69 0.00 0.00 0.00 176.54 177.63 3dhw n PHE 25 N -4.45 0.00 0.16 5.60 3.01 -0.41 -1.94 117.46 119.43 3dhw n PHE 25 Ca 0.10 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.57 3dhw n PHE 25 Cb 0.02 -0.28 0.27 0.00 -0.01 0.00 0.00 39.48 39.48 3dhw n PHE 25 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3dhw h PHE 26 N 0.00 0.00 -1.01 1.38 -5.15 -1.53 0.69 116.94 111.32 3dhw h PHE 26 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3dhw h PHE 26 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.12 3dhw h PHE 26 CO -0.20 0.49 0.67 0.78 -2.00 0.00 0.00 178.31 178.05 3dhw h GLY 27 N 1.48 1.42 0.00 6.09 0.00 0.60 -0.38 103.07 112.28 3dhw h GLY 27 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 3dhw h GLY 27 CO 0.06 0.52 -1.87 0.69 0.00 0.00 0.00 176.54 175.94 3dhw n PHE 28 N -4.38 0.00 -0.28 5.60 3.72 -0.82 -2.93 117.46 118.37 3dhw n PHE 28 Ca 0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3dhw n PHE 28 Cb 0.01 -0.48 0.06 0.00 -0.94 0.00 0.00 39.48 38.13 3dhw n PHE 28 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3dhw h VAL 29 N 0.00 1.26 -0.00 -4.37 2.07 0.58 -2.53 116.25 113.25 3dhw h VAL 29 Ca -0.08 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3dhw h VAL 29 Cb 1.02 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3dhw h VAL 29 CO 0.00 0.34 -0.65 2.30 0.02 0.00 0.00 177.57 179.59 3dhw n ILE 30 N -4.28 0.00 0.09 4.57 -6.64 -0.17 -4.32 119.36 108.61 3dhw n ILE 30 Ca 0.07 -0.18 -0.08 0.00 -1.77 0.00 0.00 62.75 60.80 3dhw n ILE 30 Cb 0.20 1.00 -0.05 0.00 -1.44 0.00 0.00 39.64 39.35 3dhw n ILE 30 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 3dhw h GLY 31 N 3.25 -0.34 0.04 3.28 0.00 -1.49 -2.71 103.07 105.10 3dhw h GLY 31 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.55 3dhw h GLY 31 CO 0.00 -0.12 -0.13 1.41 0.00 0.00 0.00 176.54 177.70 3dhw h LEU 32 N -1.03 -0.46 -0.07 3.11 3.38 -1.69 2.15 115.31 120.70 3dhw h LEU 32 Ca -0.03 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3dhw h LEU 32 Cb 0.38 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3dhw h LEU 32 CO 0.05 -0.16 -0.40 -0.65 0.09 0.00 0.00 178.44 177.37 3dhw h PRO 33 N -0.01 -0.49 -0.81 1.13 0.11 -1.75 1.02 132.00 131.20 3dhw h PRO 33 Ca 0.23 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3dhw h PRO 33 Cb 0.36 0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 3dhw h PRO 33 CO -0.49 -0.33 0.34 0.28 -0.21 0.00 0.00 178.00 177.58 3dhw h VAL 34 N -0.51 1.26 -0.54 3.15 2.07 -1.04 -0.49 116.25 120.14 3dhw h VAL 34 Ca 0.07 -0.80 0.16 0.00 0.82 0.00 0.00 66.70 66.94 3dhw h VAL 34 Cb 0.62 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3dhw h VAL 34 CO -0.35 0.33 0.39 1.23 0.02 0.00 0.00 177.57 179.19 3dhw h GLY 35 N 1.16 0.00 -1.46 2.17 0.00 0.54 0.65 103.07 106.13 3dhw h GLY 35 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3dhw h GLY 35 CO -0.03 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.89 3dhw n VAL 36 N -4.36 0.08 1.42 4.60 0.31 0.34 -2.15 118.33 118.57 3dhw n VAL 36 Ca 0.10 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 3dhw n VAL 36 Cb 0.62 -0.31 0.49 0.00 -0.91 0.00 0.00 33.84 33.72 3dhw n VAL 36 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dhw n LEU 37 N 0.64 1.53 -0.34 7.52 4.77 0.22 -3.48 117.00 127.87 3dhw n LEU 37 Ca 0.00 -0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 55.40 3dhw n LEU 37 Cb 0.06 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3dhw n LEU 37 CO 0.00 0.28 1.25 0.25 -1.33 0.00 0.00 177.39 177.84 3dhw h LEU 38 N 2.27 1.03 -0.82 2.23 5.85 -1.68 0.62 115.31 124.80 3dhw h LEU 38 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3dhw h LEU 38 Cb 0.49 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dhw h LEU 38 CO 0.00 0.73 0.53 1.88 -0.34 0.00 0.00 178.44 181.25 3dhw h TYR 39 N 1.21 1.05 -0.89 1.25 -1.99 -1.82 -2.46 116.97 113.33 3dhw h TYR 39 Ca 0.34 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.07 3dhw h TYR 39 Cb -0.11 -0.35 -0.04 0.00 2.00 0.00 0.00 36.73 38.23 3dhw h TYR 39 CO -0.01 0.68 0.48 0.28 -0.00 0.00 0.00 178.16 179.59 3dhw h VAL 40 N 1.12 1.26 -0.97 -2.88 2.07 -1.26 -2.43 116.25 113.16 3dhw h VAL 40 Ca 0.30 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3dhw h VAL 40 Cb -0.10 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.68 3dhw h VAL 40 CO -0.06 0.29 0.64 0.71 0.02 0.00 0.00 177.57 179.18 3dhw h THR 41 N 1.25 1.25 -5.74 2.57 1.35 0.66 -3.38 112.91 110.86 3dhw h THR 41 Ca 0.31 -0.45 -0.37 0.00 -0.55 0.00 0.00 66.41 65.35 3dhw h THR 41 Cb 0.04 -0.18 -0.19 0.00 -1.73 0.00 0.00 68.15 66.09 3dhw h THR 41 CO -0.05 0.24 -0.55 -2.11 -0.25 0.00 0.00 175.52 172.81 3dhw n ARG 42 N -4.39 -0.88 0.00 4.72 1.85 -0.92 -4.67 116.66 112.38 3dhw n ARG 42 Ca 0.11 0.07 0.09 0.00 -1.00 0.00 0.00 57.85 57.12 3dhw n ARG 42 Cb 0.01 -2.52 0.52 0.00 -1.05 0.00 0.00 32.46 29.43 3dhw n ARG 42 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dhw n PRO 43 N -2.77 0.56 0.00 2.89 -0.02 -1.26 -4.68 135.00 129.71 3dhw n PRO 43 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3dhw n PRO 43 Cb 0.32 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3dhw n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhw n GLY 44 N 0.12 1.45 0.11 -1.23 0.00 -1.26 -5.18 105.19 99.19 3dhw n GLY 44 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3dhw n GLY 44 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dhw n GLN 45 N 0.00 0.00 -1.61 1.61 -0.06 -1.26 -4.77 117.38 111.29 3dhw n GLN 45 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.56 3dhw n GLN 45 Cb 0.00 -0.08 -0.01 0.00 -4.06 0.00 0.00 30.24 26.09 3dhw n GLN 45 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3dhw n ILE 46 N -0.41 2.00 -1.89 1.69 2.08 -1.26 -4.65 119.36 116.92 3dhw n ILE 46 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 3dhw n ILE 46 Cb 0.00 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 3dhw n ILE 46 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3dhw n ILE 47 N 0.23 0.00 -3.82 1.39 -5.35 -1.26 -4.62 119.36 105.93 3dhw n ILE 47 Ca 0.09 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.31 3dhw n ILE 47 Cb 0.33 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.25 3dhw n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhw n ALA 48 N 1.41 -1.71 0.33 -1.28 0.00 -1.26 -4.76 120.51 113.24 3dhw n ALA 48 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.56 3dhw n ALA 48 Cb 0.00 -2.94 0.62 0.00 0.00 0.00 0.00 19.45 17.13 3dhw n ALA 48 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3dhw h ASN 49 N -1.95 0.00 -4.00 0.00 -1.07 -1.91 -3.45 115.58 103.21 3dhw h ASN 49 Ca -0.60 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.26 3dhw h ASN 49 Cb 1.37 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 37.68 3dhw h ASN 49 CO 0.62 0.00 0.48 0.00 0.07 0.00 0.00 177.43 178.60 3dhw s ALA 50 N -3.53 2.99 -0.52 4.14 0.00 -1.26 -4.90 121.76 118.67 3dhw s ALA 50 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3dhw s ALA 50 Cb 0.09 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3dhw s ALA 50 CO 0.46 -0.62 0.00 0.36 0.00 0.00 0.00 175.76 175.96 3dhw n LYS 51 N -0.44 0.00 -0.10 0.00 2.85 -1.26 -4.29 118.16 114.93 3dhw n LYS 51 Ca 0.07 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.34 3dhw n LYS 51 Cb 0.48 -0.76 0.32 0.00 -0.65 0.00 0.00 35.03 34.42 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 0.49 0.65 -1.02 -5.58 3.38 -1.88 -2.47 115.31 108.89 3dhw h LEU 52 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3dhw h LEU 52 Cb 0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3dhw h LEU 52 CO 0.00 0.52 0.67 0.22 0.09 0.00 0.00 178.44 179.94 3dhw h TYR 53 N 0.75 1.26 -0.30 1.13 5.03 -1.75 2.80 116.97 125.89 3dhw h TYR 53 Ca 0.20 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.54 3dhw h TYR 53 Cb 0.00 -0.43 -0.01 0.00 1.55 0.00 0.00 36.73 37.84 3dhw h TYR 53 CO 0.00 0.79 0.20 0.00 -1.32 0.00 0.00 178.16 177.83 3dhw h ARG 54 N 1.35 0.40 0.00 1.82 3.08 -1.80 -2.67 114.38 116.57 3dhw h ARG 54 Ca 0.37 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 3dhw h ARG 54 Cb -0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3dhw h ARG 54 CO -0.08 0.28 -0.21 1.79 -1.07 0.00 0.00 179.97 180.68 3dhw h THR 55 N 0.40 1.65 -0.39 2.04 1.35 -1.25 -3.26 112.91 113.46 3dhw h THR 55 Ca 0.11 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.64 3dhw h THR 55 Cb -0.03 3.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 3dhw h THR 55 CO -0.02 0.56 0.22 0.58 -0.25 0.00 0.00 175.52 176.60 3dhw h VAL 56 N -1.00 1.15 0.00 6.82 2.07 0.49 0.19 116.25 125.96 3dhw h VAL 56 Ca -0.06 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3dhw h VAL 56 Cb 1.05 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3dhw h VAL 56 CO -0.04 0.15 -0.10 0.77 0.02 0.00 0.00 177.57 178.37 3dhw h SER 57 N 0.50 0.00 -0.37 0.57 4.64 -1.57 -2.56 113.55 114.76 3dhw h SER 57 Ca 0.14 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3dhw h SER 57 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3dhw h SER 57 CO -0.02 0.10 -0.40 0.00 -0.87 0.00 0.00 176.83 175.64 3dhw h ALA 58 N 1.90 0.56 -0.46 5.18 0.00 -0.76 0.10 119.26 125.78 3dhw h ALA 58 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3dhw h ALA 58 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3dhw h ALA 58 CO 0.01 0.68 -0.24 -0.84 0.00 0.00 0.00 179.25 178.86 3dhw h ILE 59 N 0.76 1.27 -0.60 0.00 3.07 -0.62 0.30 117.51 121.68 3dhw h ILE 59 Ca 0.06 -1.40 -0.07 0.00 1.55 0.00 0.00 64.86 65.00 3dhw h ILE 59 Cb 1.00 1.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.69 3dhw h ILE 59 CO 0.10 0.48 0.11 0.58 -1.05 0.00 0.00 178.15 178.37 3dhw h VAL 60 N 0.83 1.26 -0.63 0.16 2.07 -1.55 0.46 116.25 118.85 3dhw h VAL 60 Ca 0.10 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3dhw h VAL 60 Cb 0.81 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3dhw h VAL 60 CO 0.07 0.36 0.41 -1.13 0.02 0.00 0.00 177.57 177.30 3dhw h ASN 61 N 0.89 0.71 -0.25 0.57 -1.24 -0.37 0.21 115.58 116.10 3dhw h ASN 61 Ca 0.18 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.02 3dhw h ASN 61 Cb 0.41 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3dhw h ASN 61 CO 0.01 0.51 -0.41 0.16 -1.29 0.00 0.00 177.43 176.42 3dhw h ILE 62 N 0.84 1.28 -0.58 2.57 3.07 -0.08 -2.32 117.51 122.29 3dhw h ILE 62 Ca 0.23 -1.59 0.01 0.00 1.55 0.00 0.00 64.86 65.06 3dhw h ILE 62 Cb -0.09 1.46 -0.03 0.00 -0.27 0.00 0.00 36.82 37.89 3dhw h ILE 62 CO -0.05 0.52 0.38 -0.26 -1.05 0.00 0.00 178.15 177.69 3dhw h PHE 63 N 0.65 0.72 -0.93 0.16 -1.00 0.16 -1.22 116.94 115.48 3dhw h PHE 63 Ca 0.05 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 3dhw h PHE 63 Cb 0.97 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 3dhw h PHE 63 CO 0.05 0.45 0.57 -0.09 -1.61 0.00 0.00 178.31 177.68 3dhw h ARG 64 N 0.78 1.26 -0.02 1.51 2.43 -0.46 -0.47 114.38 119.40 3dhw h ARG 64 Ca 0.22 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dhw h ARG 64 Cb -0.07 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.21 3dhw h ARG 64 CO -0.05 0.87 0.01 0.66 -1.51 0.00 0.00 179.97 179.95 3dhw h SER 65 N 1.28 0.00 -3.04 -3.80 4.64 -0.96 -3.39 113.55 108.28 3dhw h SER 65 Ca 0.34 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.13 3dhw h SER 65 Cb -0.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3dhw h SER 65 CO -0.06 0.00 0.69 -0.63 -0.87 0.00 0.00 176.83 175.96 3dhw s ILE 66 N -4.97 3.44 0.90 0.95 1.01 -0.19 -5.02 121.20 117.33 3dhw s ILE 66 Ca -0.05 1.04 -0.15 0.00 0.00 0.00 0.00 60.65 61.48 3dhw s ILE 66 Cb 0.17 -3.66 0.21 0.00 0.01 0.00 0.00 42.46 39.18 3dhw s ILE 66 CO 0.65 0.08 1.23 -2.65 0.00 0.00 0.00 174.94 174.25 3dhw n PRO 67 N 3.93 -1.19 0.00 2.79 -0.02 -1.26 -4.93 135.00 134.33 3dhw n PRO 67 Ca 0.11 -1.92 0.00 0.00 -2.02 0.00 0.00 63.50 59.67 3dhw n PRO 67 Cb 0.43 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3dhw n PRO 67 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dhw n PHE 68 N -3.69 0.00 -0.26 6.00 3.01 -1.26 -2.08 117.46 119.18 3dhw n PHE 68 Ca 0.15 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.55 3dhw n PHE 68 Cb 0.54 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.06 3dhw n PHE 68 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 3dhw h ILE 69 N 0.00 1.26 -0.97 4.37 -0.00 -1.98 -2.38 117.51 117.81 3dhw h ILE 69 Ca 0.00 -0.96 0.02 0.00 -0.00 0.00 0.00 64.86 63.93 3dhw h ILE 69 Cb 0.00 0.50 -0.05 0.00 -0.00 0.00 0.00 36.82 37.27 3dhw h ILE 69 CO 0.00 0.37 0.64 -0.29 -0.00 0.00 0.00 178.15 178.87 3dhw h ILE 70 N 1.09 1.21 -0.53 0.16 6.09 -1.99 1.28 117.51 124.82 3dhw h ILE 70 Ca 0.23 -0.44 -0.12 0.00 -1.37 0.00 0.00 64.86 63.16 3dhw h ILE 70 Cb 0.35 -0.18 -0.02 0.00 0.47 0.00 0.00 36.82 37.45 3dhw h ILE 70 CO -0.00 0.23 -0.14 0.25 -3.07 0.00 0.00 178.15 175.43 3dhw h LEU 71 N 1.28 1.04 -0.38 2.19 6.46 -0.93 -2.77 115.31 122.20 3dhw h LEU 71 Ca 0.37 -0.36 -0.16 0.00 -0.12 0.00 0.00 57.88 57.61 3dhw h LEU 71 Cb -0.09 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.55 3dhw h LEU 71 CO -0.10 1.16 -0.39 -0.07 -0.62 0.00 0.00 178.44 178.43 3dhw h LEU 72 N 0.90 0.99 -0.00 2.25 3.38 -0.84 -2.32 115.31 119.68 3dhw h LEU 72 Ca 0.13 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3dhw h LEU 72 Cb 0.71 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dhw h LEU 72 CO 0.05 1.26 0.00 0.58 0.09 0.00 0.00 178.44 180.43 3dhw h VAL 73 N 0.75 1.06 -0.92 1.22 2.07 0.16 -2.62 116.25 117.98 3dhw h VAL 73 Ca 0.06 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3dhw h VAL 73 Cb 0.99 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3dhw h VAL 73 CO 0.10 0.05 0.52 -0.25 0.02 0.00 0.00 177.57 178.00 3dhw h TRP 74 N -0.07 1.24 0.00 1.57 7.01 -1.59 -2.20 115.95 121.90 3dhw h TRP 74 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3dhw h TRP 74 Cb 0.07 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 3dhw h TRP 74 CO -0.05 0.84 0.00 -0.12 -2.79 0.00 0.00 178.44 176.32 3dhw n MET 75 N -4.35 0.30 -0.14 2.65 1.56 -0.87 -3.45 117.12 112.83 3dhw n MET 75 Ca 0.10 0.09 -0.04 0.00 -0.27 0.00 0.00 57.70 57.58 3dhw n MET 75 Cb 0.08 -1.50 0.02 0.00 2.15 0.00 0.00 33.22 33.98 3dhw n MET 75 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 3dhw h ILE 76 N 0.00 0.52 -0.43 1.12 1.08 -1.09 0.25 117.51 118.96 3dhw h ILE 76 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 3dhw h ILE 76 Cb 0.07 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3dhw h ILE 76 CO 0.00 0.00 -0.12 -0.65 -0.69 0.00 0.00 178.15 176.69 3dhw h PRO 77 N -0.02 0.78 -0.94 2.37 0.11 -1.82 -2.44 132.00 130.04 3dhw h PRO 77 Ca 0.22 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3dhw h PRO 77 Cb 0.35 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.35 3dhw h PRO 77 CO -0.48 0.86 0.60 0.74 -0.21 0.00 0.00 178.00 179.52 3dhw h PHE 78 N 0.70 1.20 -0.72 0.65 0.04 -1.53 -1.80 116.94 115.49 3dhw h PHE 78 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3dhw h PHE 78 Cb 0.60 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3dhw h PHE 78 CO 0.03 0.77 0.41 1.15 -0.60 0.00 0.00 178.31 180.07 3dhw h THR 79 N 1.28 1.21 -0.06 -1.55 2.02 -0.21 -1.75 112.91 113.86 3dhw h THR 79 Ca 0.34 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3dhw h THR 79 Cb -0.12 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3dhw h THR 79 CO -0.07 0.23 0.04 -0.09 0.37 0.00 0.00 175.52 176.00 3dhw h ARG 80 N 0.98 0.07 -0.35 6.66 2.43 -1.07 -1.60 114.38 121.50 3dhw h ARG 80 Ca 0.25 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 3dhw h ARG 80 Cb 0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3dhw h ARG 80 CO -0.04 0.05 -0.42 -0.39 -1.51 0.00 0.00 179.97 177.65 3dhw h VAL 81 N 0.08 1.27 -0.39 0.20 -1.51 -1.12 -3.20 116.25 111.58 3dhw h VAL 81 Ca 0.02 -1.60 -0.16 0.00 -1.23 0.00 0.00 66.70 63.73 3dhw h VAL 81 Cb -0.00 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 3dhw h VAL 81 CO -0.01 0.53 -0.39 0.40 -1.23 0.00 0.00 177.57 176.87 3dhw h ILE 82 N 0.72 1.27 -4.03 7.19 1.08 -1.19 -3.45 117.51 119.10 3dhw h ILE 82 Ca 0.05 -1.56 -0.15 0.00 -0.39 0.00 0.00 64.86 62.80 3dhw h ILE 82 Cb 1.02 1.38 -0.19 0.00 -3.07 0.00 0.00 36.82 35.96 3dhw h ILE 82 CO 0.10 0.52 -0.68 0.54 -0.69 0.00 0.00 178.15 177.94 3dhw s VAL 83 N -4.40 0.14 -0.48 1.67 0.11 -0.61 -5.09 120.40 111.74 3dhw s VAL 83 Ca -0.11 -1.16 -0.46 0.00 -2.93 0.00 0.00 61.98 57.32 3dhw s VAL 83 Cb 0.11 -0.64 -0.19 0.00 -1.53 0.00 0.00 36.38 34.12 3dhw s VAL 83 CO 0.88 -0.64 1.71 0.61 -3.33 0.00 0.00 175.10 174.33 3dhw n GLY 84 N 1.14 0.19 3.35 6.54 0.00 -1.26 -3.91 105.19 111.25 3dhw n GLY 84 Ca -0.21 1.02 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3dhw n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dhw n THR 85 N 4.50 0.00 -0.99 2.61 -2.24 -1.21 -4.42 114.28 112.54 3dhw n THR 85 Ca 0.35 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.21 3dhw n THR 85 Cb -0.04 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.46 3dhw n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dhw n SER 86 N -1.92 4.05 -0.32 3.42 3.41 -1.26 -3.54 113.62 117.47 3dhw n SER 86 Ca 0.00 -3.01 -0.03 0.00 -0.26 0.00 0.00 58.87 55.56 3dhw n SER 86 Cb 0.00 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.48 3dhw n SER 86 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3dhw h ILE 87 N 2.00 1.22 0.00 -1.33 1.08 -1.93 -3.40 117.51 115.14 3dhw h ILE 87 Ca 0.00 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3dhw h ILE 87 Cb 1.49 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3dhw h ILE 87 CO 0.25 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 178.53 3dhw n GLY 88 N -1.34 1.18 0.00 5.37 0.00 -1.26 -4.49 105.19 104.66 3dhw n GLY 88 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3dhw n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhw n LEU 89 N 0.00 0.00 -0.09 0.99 4.77 -1.26 0.27 117.00 121.67 3dhw n LEU 89 Ca 0.00 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.37 3dhw n LEU 89 Cb 0.00 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3dhw n LEU 89 CO 0.00 -0.25 0.55 1.56 -1.33 0.00 0.00 177.39 177.92 3dhw h GLN 90 N 0.00 0.86 -0.63 3.23 4.20 -1.98 -2.93 115.11 117.85 3dhw h GLN 90 Ca 0.00 -0.45 0.05 0.00 0.06 0.00 0.00 58.65 58.31 3dhw h GLN 90 Cb 0.00 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3dhw h GLN 90 CO 0.00 1.09 0.35 0.00 -0.67 0.00 0.00 178.83 179.61 3dhw h ALA 91 N 0.84 0.83 -0.06 3.87 0.00 -1.31 0.60 119.26 124.03 3dhw h ALA 91 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3dhw h ALA 91 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3dhw h ALA 91 CO 0.09 0.04 -0.48 0.00 0.00 0.00 0.00 179.25 178.91 3dhw h ALA 92 N 1.32 1.08 -0.65 0.00 0.00 0.37 -3.35 119.26 118.03 3dhw h ALA 92 Ca 0.28 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3dhw h ALA 92 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dhw h ALA 92 CO -0.16 0.63 0.16 -0.84 0.00 0.00 0.00 179.25 179.03 3dhw h ILE 93 N 0.13 1.26 -0.34 0.00 3.07 0.40 -3.03 117.51 119.00 3dhw h ILE 93 Ca 0.01 -0.94 0.07 0.00 1.55 0.00 0.00 64.86 65.54 3dhw h ILE 93 Cb 0.89 0.62 -0.06 0.00 -0.27 0.00 0.00 36.82 38.00 3dhw h ILE 93 CO 0.07 0.36 -0.06 -0.37 -1.05 0.00 0.00 178.15 177.10 3dhw h VAL 94 N 0.97 0.68 0.00 0.16 -1.51 -1.60 0.26 116.25 115.21 3dhw h VAL 94 Ca 0.20 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.63 3dhw h VAL 94 Cb 0.36 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3dhw h VAL 94 CO 0.00 0.01 -0.17 -0.65 -1.23 0.00 0.00 177.57 175.53 3dhw h PRO 95 N 0.03 0.00 -0.85 5.19 0.11 -1.74 0.10 132.00 134.84 3dhw h PRO 95 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3dhw h PRO 95 Cb 0.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3dhw h PRO 95 CO -0.33 0.17 0.56 -0.07 -0.21 0.00 0.00 178.00 178.12 3dhw h LEU 96 N 0.00 0.97 -0.99 2.35 4.07 -0.89 -0.04 115.31 120.77 3dhw h LEU 96 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3dhw h LEU 96 Cb 0.40 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 3dhw h LEU 96 CO 0.02 0.70 0.64 0.71 -1.08 0.00 0.00 178.44 179.43 3dhw h THR 97 N 1.14 1.26 -0.46 0.22 1.35 0.60 -0.91 112.91 116.12 3dhw h THR 97 Ca 0.31 -0.50 -0.14 0.00 -0.55 0.00 0.00 66.41 65.53 3dhw h THR 97 Cb -0.12 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.11 3dhw h THR 97 CO -0.07 0.26 -0.26 0.58 -0.25 0.00 0.00 175.52 175.77 3dhw h VAL 98 N 1.35 1.27 -0.54 6.82 2.07 -1.12 -1.52 116.25 124.57 3dhw h VAL 98 Ca 0.36 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3dhw h VAL 98 Cb -0.12 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3dhw h VAL 98 CO -0.07 0.49 0.23 1.23 0.02 0.00 0.00 177.57 179.47 3dhw h GLY 99 N 0.85 0.86 1.14 2.17 0.00 -0.03 -3.15 103.07 104.91 3dhw h GLY 99 Ca 0.10 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 3dhw h GLY 99 CO 0.08 0.43 -0.36 0.00 0.00 0.00 0.00 176.54 176.69 3dhw h ALA 100 N 1.07 0.60 -0.77 3.60 0.00 -1.19 -3.34 119.26 119.22 3dhw h ALA 100 Ca 0.18 -0.45 0.15 0.00 0.00 0.00 0.00 54.91 54.80 3dhw h ALA 100 Cb 0.18 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 17.69 3dhw h ALA 100 CO -0.02 0.68 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 3dhw h ALA 101 N 0.80 0.51 0.31 0.00 0.00 -1.23 0.79 119.26 120.43 3dhw h ALA 101 Ca 0.07 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3dhw h ALA 101 Cb 0.95 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3dhw h ALA 101 CO 0.09 -0.41 -0.15 -1.00 0.00 0.00 0.00 179.25 177.79 3dhw h PRO 102 N 0.00 -0.39 -0.90 0.00 0.13 -1.70 0.12 132.00 129.25 3dhw h PRO 102 Ca 0.37 0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.54 3dhw h PRO 102 Cb 0.56 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 3dhw h PRO 102 CO -0.79 -0.11 0.60 0.74 -0.23 0.00 0.00 178.00 178.21 3dhw h PHE 103 N -0.67 1.13 -0.59 1.56 0.04 -1.44 -1.53 116.94 115.45 3dhw h PHE 103 Ca -0.04 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 3dhw h PHE 103 Cb 0.47 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3dhw h PHE 103 CO 0.01 0.70 0.02 -0.84 -0.60 0.00 0.00 178.31 177.60 3dhw h ILE 104 N 1.21 1.26 0.11 -0.55 -0.00 0.54 -1.57 117.51 118.51 3dhw h ILE 104 Ca 0.34 -1.10 -0.01 0.00 -0.00 0.00 0.00 64.86 64.09 3dhw h ILE 104 Cb -0.12 0.78 0.00 0.00 -0.00 0.00 0.00 36.82 37.49 3dhw h ILE 104 CO -0.08 0.40 -0.05 0.00 -0.00 0.00 0.00 178.15 178.42 3dhw h ALA 105 N 1.08 -0.14 -0.10 0.16 0.00 0.20 -2.34 119.26 118.13 3dhw h ALA 105 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3dhw h ALA 105 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dhw h ALA 105 CO 0.02 -0.58 -0.49 -0.09 0.00 0.00 0.00 179.25 178.12 3dhw h ARG 106 N -0.15 0.25 -0.98 0.00 2.43 -1.27 -2.32 114.38 112.34 3dhw h ARG 106 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3dhw h ARG 106 Cb 0.11 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3dhw h ARG 106 CO 0.02 0.69 0.62 0.52 -1.51 0.00 0.00 179.97 180.31 3dhw h MET 107 N 0.20 1.30 -0.66 0.20 2.86 -1.14 0.20 114.93 117.90 3dhw h MET 107 Ca 0.01 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3dhw h MET 107 Cb 0.94 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 3dhw h MET 107 CO 0.08 0.89 0.19 0.28 1.06 0.00 0.00 176.91 179.41 3dhw h VAL 108 N 1.34 1.25 -0.81 -2.22 2.07 -0.90 -2.38 116.25 114.60 3dhw h VAL 108 Ca 0.35 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3dhw h VAL 108 Cb -0.11 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3dhw h VAL 108 CO -0.07 0.34 0.51 -0.08 0.02 0.00 0.00 177.57 178.28 3dhw h GLU 109 N 0.96 1.08 0.00 1.57 4.81 -0.32 -2.73 114.58 119.95 3dhw h GLU 109 Ca 0.21 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3dhw h GLU 109 Cb 0.31 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3dhw h GLU 109 CO -0.00 0.74 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.08 3dhw h ASN 110 N 1.10 0.00 -0.25 1.04 2.35 -0.35 -2.80 115.58 116.67 3dhw h ASN 110 Ca 0.29 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.86 3dhw h ASN 110 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3dhw h ASN 110 CO -0.06 0.02 -0.54 0.00 -1.65 0.00 0.00 177.43 175.21 3dhw h ALA 111 N 1.98 0.40 -0.97 -0.83 0.00 -1.16 -2.98 119.26 115.69 3dhw h ALA 111 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dhw h ALA 111 Cb 0.52 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3dhw h ALA 111 CO 0.00 0.61 0.62 -0.07 0.00 0.00 0.00 179.25 180.41 3dhw h LEU 112 N 0.56 1.14 -1.08 0.00 3.38 -1.23 0.29 115.31 118.37 3dhw h LEU 112 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3dhw h LEU 112 Cb 1.15 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3dhw h LEU 112 CO 0.12 0.85 -0.46 -0.07 0.09 0.00 0.00 178.44 178.97 3dhw h LEU 113 N 1.33 0.01 -1.01 1.67 3.38 -1.66 -3.14 115.31 115.89 3dhw h LEU 113 Ca 0.35 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.33 3dhw h LEU 113 Cb -0.11 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3dhw h LEU 113 CO -0.07 0.46 0.67 -0.08 0.09 0.00 0.00 178.44 179.51 3dhw h GLU 114 N 0.01 1.32 0.94 1.13 4.81 -0.77 -3.35 114.58 118.66 3dhw h GLU 114 Ca -0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3dhw h GLU 114 Cb 0.81 -0.30 0.01 0.00 0.63 0.00 0.00 28.75 29.90 3dhw h GLU 114 CO 0.06 0.87 -0.45 0.82 -0.73 0.00 0.00 179.01 179.58 3dhw h ILE 115 N 1.36 0.07 0.00 2.32 2.04 -1.46 -3.51 117.51 118.33 3dhw h ILE 115 Ca 0.37 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.23 3dhw h ILE 115 Cb -0.14 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3dhw h ILE 115 CO -0.08 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.42 3dhw n PRO 116 N -5.63 0.00 0.19 2.37 -0.02 -1.26 -4.59 135.00 126.05 3dhw n PRO 116 Ca -0.16 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 3dhw n PRO 116 Cb 0.50 0.00 0.36 0.00 -0.02 0.00 0.00 33.50 34.34 3dhw n PRO 116 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3dhw h THR 117 N 0.00 1.15 -0.10 3.45 2.02 -1.97 -3.11 112.91 114.35 3dhw h THR 117 Ca 0.00 -1.40 0.03 0.00 0.77 0.00 0.00 66.41 65.81 3dhw h THR 117 Cb 0.00 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3dhw h THR 117 CO 0.00 0.38 0.98 1.23 0.37 0.00 0.00 175.52 178.49 3dhw h GLY 118 N 1.40 0.00 1.11 2.16 0.00 -1.98 0.32 103.07 106.09 3dhw h GLY 118 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3dhw h GLY 118 CO 0.05 0.00 -0.38 1.41 0.00 0.00 0.00 176.54 177.62 3dhw h LEU 119 N 0.00 0.97 -0.47 3.11 4.07 -1.93 1.40 115.31 122.48 3dhw h LEU 119 Ca 0.05 -0.47 -0.15 0.00 0.08 0.00 0.00 57.88 57.39 3dhw h LEU 119 Cb 2.02 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 3dhw h LEU 119 CO -0.00 1.25 -0.38 -0.29 -1.08 0.00 0.00 178.44 177.94 3dhw h ILE 120 N 0.72 1.28 -0.47 1.22 6.09 -0.64 1.75 117.51 127.45 3dhw h ILE 120 Ca 0.06 -1.55 0.01 0.00 -1.37 0.00 0.00 64.86 62.01 3dhw h ILE 120 Cb 0.98 1.40 -0.03 0.00 0.47 0.00 0.00 36.82 39.64 3dhw h ILE 120 CO 0.09 0.51 0.30 -0.33 -3.07 0.00 0.00 178.15 175.66 3dhw h GLU 121 N 0.71 0.60 -0.05 2.19 5.08 -1.32 0.58 114.58 122.36 3dhw h GLU 121 Ca 0.06 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3dhw h GLU 121 Cb 0.95 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3dhw h GLU 121 CO 0.09 0.40 -0.49 0.00 -1.00 0.00 0.00 179.01 178.01 3dhw h ALA 122 N 1.18 1.10 0.73 3.43 0.00 0.26 1.13 119.26 127.10 3dhw h ALA 122 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3dhw h ALA 122 Cb -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dhw h ALA 122 CO -0.05 0.63 -0.35 0.77 0.00 0.00 0.00 179.25 180.25 3dhw h SER 123 N 0.10 -0.83 -0.27 0.00 0.02 0.75 0.20 113.55 113.52 3dhw h SER 123 Ca 0.00 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 3dhw h SER 123 Cb 0.90 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3dhw h SER 123 CO 0.07 -0.57 -0.49 0.03 -1.14 0.00 0.00 176.83 174.73 3dhw h ARG 124 N -1.02 0.84 -1.01 3.45 3.08 -0.23 -3.05 114.38 116.45 3dhw h ARG 124 Ca -0.10 -0.50 0.14 0.00 0.07 0.00 0.00 59.98 59.59 3dhw h ARG 124 Cb 0.76 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.77 3dhw h ARG 124 CO 0.17 1.13 0.63 0.00 -1.07 0.00 0.00 179.97 180.83 3dhw h ALA 125 N 0.78 1.56 -0.59 0.04 0.00 0.15 1.92 119.26 123.11 3dhw h ALA 125 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3dhw h ALA 125 Cb 1.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3dhw h ALA 125 CO 0.11 0.17 -0.03 0.52 0.00 0.00 0.00 179.25 180.02 3dhw h MET 126 N 0.95 1.07 -1.78 0.00 2.86 -0.62 -3.45 114.93 113.96 3dhw h MET 126 Ca 0.52 -0.35 -0.36 0.00 -2.06 0.00 0.00 59.70 57.44 3dhw h MET 126 Cb 0.58 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 3dhw h MET 126 CO -0.29 1.06 -0.40 0.41 1.06 0.00 0.00 176.91 178.75 3dhw n GLY 127 N -0.38 0.59 0.00 8.32 0.00 0.65 -4.63 105.19 109.74 3dhw n GLY 127 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3dhw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw n ALA 128 N -0.42 0.00 -2.53 4.61 0.00 -1.26 -5.12 120.51 115.80 3dhw n ALA 128 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3dhw n ALA 128 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 3dhw n ALA 128 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3dhw s THR 129 N 0.00 4.92 0.00 0.00 -1.32 -1.24 -4.99 115.64 113.02 3dhw s THR 129 Ca 0.00 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 3dhw s THR 129 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 3dhw s THR 129 CO 0.00 -0.42 0.00 -0.81 -2.21 0.00 0.00 174.62 171.18 3dhw n PRO 130 N 6.00 3.78 0.00 7.08 -0.04 -1.26 -4.89 135.00 145.67 3dhw n PRO 130 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3dhw n PRO 130 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 0.00 -0.36 0.54 2.81 -1.26 -2.63 117.12 116.22 3dhw n MET 131 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 3dhw n MET 131 Cb 0.00 -0.29 0.12 0.00 -0.71 0.00 0.00 33.22 32.34 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 1.29 -0.11 0.03 1.08 -1.99 -2.83 115.11 112.58 3dhw h GLN 132 Ca 0.00 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3dhw h GLN 132 Cb 0.00 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.13 3dhw h GLN 132 CO 0.00 0.86 0.05 0.82 -0.95 0.00 0.00 178.83 179.61 3dhw h ILE 133 N 1.32 0.99 -0.69 2.54 1.08 -1.98 1.65 117.51 122.43 3dhw h ILE 133 Ca 0.36 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.77 3dhw h ILE 133 Cb -0.14 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 3dhw h ILE 133 CO -0.08 0.02 0.36 1.62 -0.69 0.00 0.00 178.15 179.39 3dhw h VAL 134 N 0.11 1.22 -0.42 1.67 3.04 -1.25 -2.67 116.25 117.96 3dhw h VAL 134 Ca 0.04 -0.58 -0.14 0.00 -1.01 0.00 0.00 66.70 65.02 3dhw h VAL 134 Cb 0.01 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 3dhw h VAL 134 CO -0.03 0.25 -0.29 0.03 -1.01 0.00 0.00 177.57 176.51 3dhw h ARG 135 N 0.96 0.93 -0.85 4.17 3.08 -1.12 -2.98 114.38 118.58 3dhw h ARG 135 Ca 0.24 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3dhw h ARG 135 Cb 0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3dhw h ARG 135 CO -0.04 1.11 0.45 -0.22 -1.07 0.00 0.00 179.97 180.20 3dhw h LYS 136 N 0.76 1.19 -0.16 0.04 1.63 0.23 -3.08 116.57 117.20 3dhw h LYS 136 Ca 0.08 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3dhw h LYS 136 Cb 0.88 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 3dhw h LYS 136 CO 0.08 0.89 0.00 1.33 -3.45 0.00 0.00 179.45 178.30 3dhw n VAL 137 N -4.36 0.18 0.30 2.00 0.24 -1.01 -4.43 118.33 111.25 3dhw n VAL 137 Ca 0.09 -0.59 0.04 0.00 -2.04 0.00 0.00 64.34 61.83 3dhw n VAL 137 Cb 0.11 1.31 -0.05 0.00 -1.47 0.00 0.00 33.84 33.74 3dhw n VAL 137 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dhw n LEU 138 N 1.38 0.30 -0.35 1.34 4.77 -1.12 -4.55 117.00 118.77 3dhw n LEU 138 Ca 0.16 -0.42 0.07 0.00 -0.03 0.00 0.00 56.01 55.79 3dhw n LEU 138 Cb 0.59 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.91 3dhw n LEU 138 CO 0.15 0.07 1.21 0.17 -1.33 0.00 0.00 177.39 177.66 3dhw h LEU 139 N 0.00 0.85 -1.65 2.23 8.10 -1.75 0.41 115.31 123.50 3dhw h LEU 139 Ca 0.00 0.05 0.49 0.00 0.11 0.00 0.00 57.88 58.53 3dhw h LEU 139 Cb 0.21 -0.11 -0.11 0.00 -0.44 0.00 0.00 40.66 40.21 3dhw h LEU 139 CO 0.00 0.44 1.06 -0.65 -4.11 0.00 0.00 178.44 175.19 3dhw h PRO 140 N 0.92 0.03 -0.07 0.17 0.11 -1.84 4.27 132.00 135.61 3dhw h PRO 140 Ca 0.48 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.48 3dhw h PRO 140 Cb 0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3dhw h PRO 140 CO -0.28 0.02 -0.47 0.93 -0.21 0.00 0.00 178.00 178.00 3dhw h GLU 141 N 0.03 0.17 0.00 1.05 4.39 -0.48 -3.18 114.58 116.57 3dhw h GLU 141 Ca 0.86 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.47 3dhw h GLU 141 Cb 3.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.69 3dhw h GLU 141 CO -0.26 0.61 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 3dhw n ALA 142 N -2.47 2.30 -0.16 3.43 0.00 1.40 -4.61 120.51 120.40 3dhw n ALA 142 Ca -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 3dhw n ALA 142 Cb 0.51 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.53 3dhw n ALA 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dhw h LEU 143 N 0.00 -0.50 -0.24 0.00 3.38 -1.36 0.14 115.31 116.73 3dhw h LEU 143 Ca 0.00 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3dhw h LEU 143 Cb 0.60 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3dhw h LEU 143 CO 0.00 -0.18 -0.20 -0.65 0.09 0.00 0.00 178.44 177.50 3dhw h PRO 144 N -0.01 -0.07 -0.98 1.13 0.11 -1.85 1.97 132.00 132.29 3dhw h PRO 144 Ca 0.24 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.37 3dhw h PRO 144 Cb 0.38 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.46 3dhw h PRO 144 CO -0.53 -0.05 0.65 0.78 -0.21 0.00 0.00 178.00 178.64 3dhw h GLY 145 N -0.07 1.38 1.00 -0.55 0.00 -1.81 0.94 103.07 103.94 3dhw h GLY 145 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3dhw h GLY 145 CO -0.26 0.51 0.08 1.41 0.00 0.00 0.00 176.54 178.28 3dhw h LEU 146 N 1.33 0.14 -0.57 3.11 3.38 0.13 0.43 115.31 123.26 3dhw h LEU 146 Ca 0.36 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3dhw h LEU 146 Cb -0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3dhw h LEU 146 CO -0.08 0.10 -0.00 0.58 0.09 0.00 0.00 178.44 179.14 3dhw h VAL 147 N 0.17 1.26 -1.00 1.22 2.07 0.35 -0.85 116.25 119.48 3dhw h VAL 147 Ca 0.05 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3dhw h VAL 147 Cb -0.02 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3dhw h VAL 147 CO -0.01 0.41 0.66 -1.13 0.02 0.00 0.00 177.57 177.51 3dhw h ASN 148 N 0.89 1.14 -0.89 0.57 -1.24 0.15 -0.23 115.58 115.98 3dhw h ASN 148 Ca 0.16 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 3dhw h ASN 148 Cb 0.55 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 3dhw h ASN 148 CO 0.03 0.83 0.49 0.00 -1.29 0.00 0.00 177.43 177.49 3dhw h ALA 149 N 1.36 1.14 -0.92 1.57 0.00 0.23 -1.36 119.26 121.27 3dhw h ALA 149 Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3dhw h ALA 149 Cb -0.16 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.23 3dhw h ALA 149 CO -0.08 0.64 0.61 0.00 0.00 0.00 0.00 179.25 180.42 3dhw h ALA 150 N 1.27 1.17 -0.08 0.00 0.00 0.38 -1.12 119.26 120.88 3dhw h ALA 150 Ca 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dhw h ALA 150 Cb 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dhw h ALA 150 CO -0.05 0.57 0.05 1.15 0.00 0.00 0.00 179.25 180.97 3dhw h THR 151 N 1.25 1.05 -0.96 0.00 2.02 -0.38 0.06 112.91 115.96 3dhw h THR 151 Ca 0.34 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3dhw h THR 151 Cb -0.14 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3dhw h THR 151 CO -0.07 0.04 0.59 0.16 0.37 0.00 0.00 175.52 176.61 3dhw h ILE 152 N 0.08 1.26 -0.83 3.11 -0.00 -0.84 0.48 117.51 120.76 3dhw h ILE 152 Ca 0.03 -0.55 -0.04 0.00 -0.00 0.00 0.00 64.86 64.30 3dhw h ILE 152 Cb 0.03 -0.10 -0.04 0.00 -0.00 0.00 0.00 36.82 36.71 3dhw h ILE 152 CO -0.01 0.27 0.38 0.71 -0.00 0.00 0.00 178.15 179.51 3dhw h THR 153 N 1.32 1.26 -0.99 0.16 1.35 -0.90 -0.60 112.91 114.51 3dhw h THR 153 Ca 0.35 -0.76 0.01 0.00 -0.55 0.00 0.00 66.41 65.46 3dhw h THR 153 Cb -0.07 0.21 -0.05 0.00 -1.73 0.00 0.00 68.15 66.51 3dhw h THR 153 CO -0.07 0.32 0.65 -0.07 -0.25 0.00 0.00 175.52 176.11 3dhw h LEU 154 N 1.20 1.14 -1.33 3.87 3.38 0.15 0.91 115.31 124.62 3dhw h LEU 154 Ca 0.28 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3dhw h LEU 154 Cb 0.15 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dhw h LEU 154 CO -0.03 0.83 -0.14 0.16 0.09 0.00 0.00 178.44 179.34 3dhw h ILE 155 N 1.35 0.38 -0.01 1.22 -0.00 0.09 -0.74 117.51 119.80 3dhw h ILE 155 Ca 0.36 -0.86 0.00 0.00 -0.00 0.00 0.00 64.86 64.36 3dhw h ILE 155 Cb -0.15 1.64 0.00 0.00 -0.00 0.00 0.00 36.82 38.30 3dhw h ILE 155 CO -0.08 0.14 -0.38 0.35 -0.00 0.00 0.00 178.15 178.19 3dhw n THR 156 N -3.33 0.00 0.02 0.16 -2.24 -0.26 -3.74 114.28 104.89 3dhw n THR 156 Ca 0.00 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3dhw n THR 156 Cb 0.37 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 3dhw n THR 156 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dhw h LEU 157 N 1.48 0.03 -0.45 3.22 5.85 0.24 0.29 115.31 125.97 3dhw h LEU 157 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3dhw h LEU 157 Cb 0.59 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3dhw h LEU 157 CO 0.00 0.06 0.26 0.58 -0.34 0.00 0.00 178.44 179.00 3dhw h VAL 158 N 0.01 1.15 -0.56 1.05 2.07 -1.69 0.52 116.25 118.80 3dhw h VAL 158 Ca 0.01 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3dhw h VAL 158 Cb 0.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3dhw h VAL 158 CO -0.00 0.16 0.28 1.23 0.02 0.00 0.00 177.57 179.25 3dhw h GLY 159 N 0.59 0.86 1.56 2.17 0.00 -1.55 0.16 103.07 106.85 3dhw h GLY 159 Ca 0.16 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3dhw h GLY 159 CO -0.03 0.40 -0.34 -1.82 0.00 0.00 0.00 176.54 174.75 3dhw h TYR 160 N 0.76 0.57 0.00 5.60 5.03 -0.09 -2.90 116.97 125.95 3dhw h TYR 160 Ca 0.19 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3dhw h TYR 160 Cb 0.10 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.25 3dhw h TYR 160 CO -0.01 0.77 0.00 0.45 -1.32 0.00 0.00 178.16 178.06 3dhw n SER 161 N -4.07 0.56 0.13 -2.11 2.88 0.18 -1.18 113.62 110.01 3dhw n SER 161 Ca -0.01 0.64 0.09 0.00 -1.33 0.00 0.00 58.87 58.25 3dhw n SER 161 Cb 0.46 -0.75 0.46 0.00 -0.75 0.00 0.00 64.21 63.63 3dhw n SER 161 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dhw n ALA 162 N -1.73 1.04 1.44 -1.46 0.00 0.43 0.14 120.51 120.37 3dhw n ALA 162 Ca 0.02 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3dhw n ALA 162 Cb 0.22 -1.25 0.49 0.00 0.00 0.00 0.00 19.45 18.92 3dhw n ALA 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3dhw n MET 163 N -2.09 1.68 -0.24 0.00 2.00 -0.32 -2.71 117.12 115.44 3dhw n MET 163 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.69 3dhw n MET 163 Cb 0.03 -1.46 0.23 0.00 0.00 0.00 0.00 33.22 32.01 3dhw n MET 163 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3dhw h GLY 164 N 4.88 1.11 0.99 3.03 0.00 0.98 -2.88 103.07 111.19 3dhw h GLY 164 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3dhw h GLY 164 CO 0.00 0.40 0.65 -1.33 0.00 0.00 0.00 176.54 176.27 3dhw h GLY 165 N 1.07 1.39 0.73 4.60 0.00 -1.66 -3.18 103.07 106.02 3dhw h GLY 165 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3dhw h GLY 165 CO -0.06 0.50 -0.33 0.00 0.00 0.00 0.00 176.54 176.64 3dhw h ALA 166 N 1.37 -0.92 -3.00 3.60 0.00 -1.69 -3.41 119.26 115.21 3dhw h ALA 166 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dhw h ALA 166 Cb -0.14 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dhw h ALA 166 CO -0.08 -0.88 0.00 0.28 0.00 0.00 0.00 179.25 178.57 3dhw n VAL 167 N -5.40 0.00 -0.10 0.00 0.31 -1.17 -4.98 118.33 107.00 3dhw n VAL 167 Ca -0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 3dhw n VAL 167 Cb 0.37 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.29 3dhw n VAL 167 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3dhw h GLY 168 N 0.00 0.48 -3.98 2.92 0.00 -1.78 -3.45 103.07 97.26 3dhw h GLY 168 Ca 0.00 -0.18 -0.54 0.00 0.00 0.00 0.00 47.33 46.60 3dhw h GLY 168 CO 0.00 0.18 0.76 0.00 0.00 0.00 0.00 176.54 177.48 3dhw n ALA 169 N -2.19 2.31 -1.80 3.60 0.00 -1.25 -4.25 120.51 116.92 3dhw n ALA 169 Ca -0.01 0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3dhw n ALA 169 Cb 0.03 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 3dhw n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhw n GLY 170 N 0.48 4.89 3.92 0.00 0.00 -1.26 -4.34 105.19 108.88 3dhw n GLY 170 Ca 0.01 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 3dhw n GLY 170 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dhw s GLY 171 N 0.43 1.66 0.26 -0.02 0.00 -1.26 -4.35 107.32 104.03 3dhw s GLY 171 Ca 0.56 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 3dhw s GLY 171 CO -0.13 -0.46 1.93 1.41 0.00 0.00 0.00 173.10 175.85 3dhw h LEU 172 N -0.46 1.14 -1.23 0.66 4.07 -1.88 0.57 115.31 118.18 3dhw h LEU 172 Ca -0.45 -0.03 0.14 0.00 0.08 0.00 0.00 57.88 57.62 3dhw h LEU 172 Cb 1.29 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.68 3dhw h LEU 172 CO 0.61 0.82 0.58 1.23 -1.08 0.00 0.00 178.44 180.60 3dhw h GLY 173 N 1.34 1.29 0.99 0.83 0.00 -1.85 1.79 103.07 107.47 3dhw h GLY 173 Ca 0.36 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3dhw h GLY 173 CO -0.08 0.10 0.37 -1.61 0.00 0.00 0.00 176.54 175.33 3dhw h GLN 174 N 0.75 0.73 -0.37 4.80 4.15 -0.05 4.31 115.11 129.44 3dhw h GLN 174 Ca 0.46 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.67 3dhw h GLN 174 Cb 0.67 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3dhw h GLN 174 CO -0.22 0.49 -0.40 -0.84 -1.93 0.00 0.00 178.83 175.93 3dhw h ILE 175 N 0.76 1.27 -0.72 2.39 -0.00 -0.21 0.49 117.51 121.48 3dhw h ILE 175 Ca 0.21 -1.57 -0.03 0.00 -0.00 0.00 0.00 64.86 63.47 3dhw h ILE 175 Cb -0.07 1.40 -0.03 0.00 -0.00 0.00 0.00 36.82 38.11 3dhw h ILE 175 CO -0.05 0.53 0.34 1.23 -0.00 0.00 0.00 178.15 180.19 3dhw h GLY 176 N 0.78 1.12 1.00 0.16 0.00 0.31 0.17 103.07 106.62 3dhw h GLY 176 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3dhw h GLY 176 CO 0.10 0.54 -0.01 -1.82 0.00 0.00 0.00 176.54 175.35 3dhw h TYR 177 N 1.01 -0.01 -0.41 5.60 5.03 0.86 0.76 116.97 129.81 3dhw h TYR 177 Ca 0.25 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.51 3dhw h TYR 177 Cb 0.13 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 3dhw h TYR 177 CO 0.01 -0.01 0.09 0.37 -1.32 0.00 0.00 178.16 177.30 3dhw h GLN 178 N -0.02 0.66 -0.00 1.82 4.15 0.32 2.16 115.11 124.21 3dhw h GLN 178 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3dhw h GLN 178 Cb 0.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3dhw h GLN 178 CO 0.00 0.69 -0.42 0.66 -1.93 0.00 0.00 178.83 177.83 3dhw n TYR 179 N -4.54 0.00 -0.02 3.99 4.02 0.56 -3.87 117.16 117.30 3dhw n TYR 179 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 3dhw n TYR 179 Cb 0.22 -0.17 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 3dhw n TYR 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dhw n GLY 180 N 1.43 -0.28 0.08 2.72 0.00 0.26 -0.26 105.19 109.13 3dhw n GLY 180 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 3dhw n GLY 180 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dhw h TYR 181 N -0.49 0.13 -3.15 1.61 -0.00 0.35 -3.35 116.97 112.08 3dhw h TYR 181 Ca -0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 58.73 58.06 3dhw h TYR 181 Cb 0.49 -0.05 -0.34 0.00 -0.00 0.00 0.00 36.73 36.84 3dhw h TYR 181 CO -0.21 0.10 -0.84 0.96 -0.00 0.00 0.00 178.16 178.17 3dhw s ILE 182 N -6.12 2.25 0.00 1.81 -4.36 -1.12 -4.85 121.20 108.80 3dhw s ILE 182 Ca -0.13 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 3dhw s ILE 182 Cb 0.07 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.80 3dhw s ILE 182 CO 0.68 0.49 0.00 0.61 0.24 0.00 0.00 174.94 176.96 3dhw n GLY 183 N 4.64 -1.84 3.78 6.27 0.00 -1.26 -4.16 105.19 112.61 3dhw n GLY 183 Ca -0.20 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.19 2.61 -0.09 1.61 2.02 -1.25 -3.10 117.35 118.97 3dhw s TYR 184 Ca 0.00 1.17 0.03 0.00 -0.37 0.00 0.00 57.07 57.90 3dhw s TYR 184 Cb 0.00 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.56 3dhw s TYR 184 CO 0.00 -2.96 -0.19 1.21 -1.57 0.00 0.00 175.55 172.04 3dhw s ASN 185 N -0.15 2.57 0.20 2.29 3.84 0.64 -4.87 114.94 119.46 3dhw s ASN 185 Ca 0.53 -0.46 -0.08 0.00 0.21 0.00 0.00 52.86 53.06 3dhw s ASN 185 Cb -0.46 -1.17 0.11 0.00 -0.55 0.00 0.00 41.25 39.17 3dhw s ASN 185 CO 0.62 0.11 1.69 0.00 -2.79 0.00 0.00 177.10 176.74 3dhw h ALA 186 N 6.80 0.91 0.00 1.71 0.00 -1.93 -3.39 119.26 123.36 3dhw h ALA 186 Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dhw h ALA 186 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3dhw h ALA 186 CO 0.47 0.67 -0.91 0.25 0.00 0.00 0.00 179.25 179.74 3dhw n THR 187 N -4.21 0.11 -0.27 0.00 -2.24 -1.26 -4.59 114.28 101.82 3dhw n THR 187 Ca 0.04 0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 3dhw n THR 187 Cb 0.30 -1.50 0.06 0.00 -2.10 0.00 0.00 70.33 67.08 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 1.23 -0.63 2.28 -1.51 -1.96 0.56 116.25 116.22 3dhw h VAL 188 Ca 0.00 -0.60 -0.09 0.00 -1.23 0.00 0.00 66.70 64.77 3dhw h VAL 188 Cb 0.91 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 3dhw h VAL 188 CO 0.00 0.26 0.02 -0.03 -1.23 0.00 0.00 177.57 176.59 3dhw h MET 189 N 1.04 1.09 -0.01 5.19 -1.53 -1.85 -2.32 114.93 116.54 3dhw h MET 189 Ca 0.26 -0.34 -0.00 0.00 -3.44 0.00 0.00 59.70 56.18 3dhw h MET 189 Cb 0.06 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.01 3dhw h MET 189 CO -0.04 1.05 0.01 -0.97 0.14 0.00 0.00 176.91 177.10 3dhw h ASN 190 N 1.00 0.01 0.02 1.39 -0.73 -1.26 -2.14 115.58 113.88 3dhw h ASN 190 Ca 0.18 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 3dhw h ASN 190 Cb 0.54 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 3dhw h ASN 190 CO 0.03 0.06 -0.02 0.71 -0.37 0.00 0.00 177.43 177.83 3dhw h THR 191 N -0.03 1.00 -0.94 -3.57 1.35 0.04 0.38 112.91 111.13 3dhw h THR 191 Ca 0.00 -0.08 0.01 0.00 -0.55 0.00 0.00 66.41 65.79 3dhw h THR 191 Cb 0.05 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 3dhw h THR 191 CO -0.00 0.02 0.62 0.58 -0.25 0.00 0.00 175.52 176.49 3dhw h VAL 192 N 0.00 1.25 0.08 6.82 2.07 -0.81 0.51 116.25 126.17 3dhw h VAL 192 Ca -0.00 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3dhw h VAL 192 Cb 0.04 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 3dhw h VAL 192 CO 0.00 0.24 -0.04 0.25 0.02 0.00 0.00 177.57 178.04 3dhw h LEU 193 N 1.28 -0.10 -0.24 2.57 7.12 -0.66 -0.84 115.31 124.46 3dhw h LEU 193 Ca 0.34 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.32 3dhw h LEU 193 Cb -0.13 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 3dhw h LEU 193 CO -0.07 -0.03 0.15 0.58 -0.13 0.00 0.00 178.44 178.94 3dhw h VAL 194 N -0.16 1.07 -0.91 1.05 2.07 -1.35 0.25 116.25 118.27 3dhw h VAL 194 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3dhw h VAL 194 Cb 0.13 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3dhw h VAL 194 CO 0.02 0.06 0.60 0.25 0.02 0.00 0.00 177.57 178.52 3dhw h LEU 195 N 0.31 1.05 -0.41 2.57 5.85 -0.01 0.24 115.31 124.93 3dhw h LEU 195 Ca 0.09 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3dhw h LEU 195 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3dhw h LEU 195 CO -0.02 0.77 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.47 3dhw h LEU 196 N 1.24 0.98 -0.69 2.25 3.38 -0.33 -1.78 115.31 120.36 3dhw h LEU 196 Ca 0.33 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3dhw h LEU 196 Cb -0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 3dhw h LEU 196 CO -0.07 1.22 0.21 0.58 0.09 0.00 0.00 178.44 180.47 3dhw h VAL 197 N 0.76 1.25 -0.24 1.22 2.07 0.15 0.18 116.25 121.64 3dhw h VAL 197 Ca 0.08 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 3dhw h VAL 197 Cb 0.90 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3dhw h VAL 197 CO 0.08 0.34 -0.27 0.16 0.02 0.00 0.00 177.57 177.91 3dhw h ILE 198 N 1.00 1.27 -0.95 4.57 3.07 -0.66 -1.36 117.51 124.44 3dhw h ILE 198 Ca 0.22 -1.29 0.01 0.00 1.55 0.00 0.00 64.86 65.35 3dhw h ILE 198 Cb 0.30 1.37 -0.05 0.00 -0.27 0.00 0.00 36.82 38.18 3dhw h ILE 198 CO -0.01 0.41 0.62 0.25 -1.05 0.00 0.00 178.15 178.38 3dhw h LEU 199 N 0.41 1.10 -0.08 0.16 5.85 0.09 -0.57 115.31 122.27 3dhw h LEU 199 Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3dhw h LEU 199 Cb 0.68 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3dhw h LEU 199 CO 0.05 0.80 0.04 0.58 -0.34 0.00 0.00 178.44 179.57 3dhw h VAL 200 N 1.29 1.10 -0.94 1.05 2.07 0.30 -2.97 116.25 118.16 3dhw h VAL 200 Ca 0.35 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3dhw h VAL 200 Cb -0.14 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3dhw h VAL 200 CO -0.07 0.09 0.62 1.88 0.02 0.00 0.00 177.57 180.10 3dhw h TYR 201 N 0.02 1.19 -0.91 1.57 0.99 -0.61 0.10 116.97 119.33 3dhw h TYR 201 Ca 0.03 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.80 3dhw h TYR 201 Cb 0.10 -0.40 -0.05 0.00 1.00 0.00 0.00 36.73 37.38 3dhw h TYR 201 CO -0.04 0.76 0.60 -0.07 -0.00 0.00 0.00 178.16 179.41 3dhw h LEU 202 N 1.28 1.03 -0.02 3.88 3.38 -1.15 0.57 115.31 124.29 3dhw h LEU 202 Ca 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dhw h LEU 202 Cb -0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 3dhw h LEU 202 CO -0.07 0.74 0.01 0.40 0.09 0.00 0.00 178.44 179.60 3dhw h ILE 203 N 1.21 1.02 -0.52 1.22 2.04 -0.85 0.76 117.51 122.38 3dhw h ILE 203 Ca 0.34 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 66.02 3dhw h ILE 203 Cb -0.11 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3dhw h ILE 203 CO -0.08 0.02 -0.15 -0.61 0.00 0.00 0.00 178.15 177.32 3dhw h GLN 204 N 0.00 1.03 0.00 2.37 4.15 -0.86 -2.79 115.11 119.01 3dhw h GLN 204 Ca 0.01 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 3dhw h GLN 204 Cb 0.02 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3dhw h GLN 204 CO -0.00 1.10 -0.06 0.74 -1.93 0.00 0.00 178.83 178.68 3dhw h PHE 205 N 0.90 0.00 0.00 3.99 0.05 0.12 0.37 116.94 122.37 3dhw h PHE 205 Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 3dhw h PHE 205 Cb 0.73 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.68 3dhw h PHE 205 CO 0.05 0.06 0.00 0.00 -0.18 0.00 0.00 178.31 178.24 3dhw h ALA 206 N 1.94 1.00 -0.64 2.45 0.00 0.78 -3.40 119.26 121.39 3dhw h ALA 206 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dhw h ALA 206 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dhw h ALA 206 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3dhw n GLY 207 N -1.12 0.00 3.09 0.00 0.00 0.13 -5.10 105.19 102.20 3dhw n GLY 207 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dhw n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54