#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 1.26 -0.46 2.03 4.06 -2.05 -2.93 115.95 117.86 3dhw h TRP 7 Ca 0.00 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.99 3dhw h TRP 7 Cb 0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 29.16 27.71 3dhw h TRP 7 CO 0.00 0.77 0.30 -0.07 -3.56 0.00 0.00 178.44 175.87 3dhw h LEU 8 N 1.33 0.51 0.01 -4.49 3.38 -2.05 0.84 115.31 114.84 3dhw h LEU 8 Ca 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dhw h LEU 8 Cb -0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3dhw h LEU 8 CO -0.10 0.37 -0.01 -0.07 0.09 0.00 0.00 178.44 178.72 3dhw h LEU 9 N 0.61 -0.02 -0.43 1.67 3.38 -1.96 -2.31 115.31 116.25 3dhw h LEU 9 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3dhw h LEU 9 Cb -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3dhw h LEU 9 CO -0.04 -0.01 -0.27 0.58 0.09 0.00 0.00 178.44 178.79 3dhw h VAL 10 N -0.02 1.27 -0.86 1.22 2.07 -1.42 -2.11 116.25 116.40 3dhw h VAL 10 Ca 0.00 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3dhw h VAL 10 Cb 0.02 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dhw h VAL 10 CO -0.00 0.48 0.42 0.03 0.02 0.00 0.00 177.57 178.52 3dhw h ARG 11 N 0.77 1.24 -0.76 1.57 3.08 -0.86 -2.07 114.38 117.35 3dhw h ARG 11 Ca 0.09 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3dhw h ARG 11 Cb 0.85 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3dhw h ARG 11 CO 0.07 0.94 0.34 0.78 -1.07 0.00 0.00 179.97 181.04 3dhw h GLY 12 N 1.23 1.18 1.06 0.04 0.00 -1.18 -2.74 103.07 102.66 3dhw h GLY 12 Ca 0.30 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3dhw h GLY 12 CO -0.04 0.58 0.61 -2.08 0.00 0.00 0.00 176.54 175.61 3dhw h VAL 13 N 1.07 1.25 -1.00 4.60 2.07 -0.92 0.22 116.25 123.53 3dhw h VAL 13 Ca 0.26 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3dhw h VAL 13 Cb 0.15 -0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 29.72 3dhw h VAL 13 CO -0.03 0.25 0.65 -0.25 0.02 0.00 0.00 177.57 178.20 3dhw h TRP 14 N 1.29 1.20 -0.63 1.57 -0.00 -1.08 -0.94 115.95 117.36 3dhw h TRP 14 Ca 0.34 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.26 3dhw h TRP 14 Cb -0.12 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.62 3dhw h TRP 14 CO 0.00 0.60 0.37 0.93 -0.00 0.00 0.00 178.44 180.34 3dhw h GLU 15 N 1.16 0.85 -0.94 2.65 5.08 -0.47 -2.60 114.58 120.31 3dhw h GLU 15 Ca 0.44 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 3dhw h GLU 15 Cb 0.20 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3dhw h GLU 15 CO -0.18 0.61 0.62 1.15 -1.00 0.00 0.00 179.01 180.20 3dhw h THR 16 N 0.87 1.25 -0.89 1.13 2.02 -0.37 0.28 112.91 117.19 3dhw h THR 16 Ca 0.23 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.97 3dhw h THR 16 Cb -0.02 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.21 3dhw h THR 16 CO -0.04 0.24 0.59 -0.07 0.37 0.00 0.00 175.52 176.61 3dhw h LEU 17 N 1.29 1.00 -1.33 2.58 3.38 -1.38 0.29 115.31 121.13 3dhw h LEU 17 Ca 0.35 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.47 3dhw h LEU 17 Cb -0.13 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.30 3dhw h LEU 17 CO -0.07 0.70 0.59 0.00 0.09 0.00 0.00 178.44 179.75 3dhw h ALA 18 N 1.46 1.96 -0.93 1.53 0.00 -0.48 0.35 119.26 123.16 3dhw h ALA 18 Ca 0.34 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3dhw h ALA 18 Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3dhw h ALA 18 CO -0.09 -0.24 0.59 0.52 0.00 0.00 0.00 179.25 180.03 3dhw h MET 19 N 0.59 1.25 -0.83 0.00 2.86 -0.18 -0.28 114.93 118.33 3dhw h MET 19 Ca 0.48 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 3dhw h MET 19 Cb 0.94 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 3dhw h MET 19 CO -0.22 0.85 0.47 1.15 1.06 0.00 0.00 176.91 180.21 3dhw h THR 20 N 1.28 1.24 -0.24 2.22 2.02 -0.16 -0.73 112.91 118.53 3dhw h THR 20 Ca 0.34 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3dhw h THR 20 Cb -0.11 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3dhw h THR 20 CO -0.07 0.27 0.16 -0.26 0.37 0.00 0.00 175.52 175.99 3dhw h PHE 21 N 1.16 0.29 -0.24 3.16 0.04 -0.43 -0.38 116.94 120.54 3dhw h PHE 21 Ca 0.29 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.07 3dhw h PHE 21 Cb 0.02 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3dhw h PHE 21 CO 0.00 0.18 0.16 0.28 -0.60 0.00 0.00 178.31 178.34 3dhw h VAL 22 N 0.32 1.06 -0.96 -0.55 2.07 0.48 -0.54 116.25 118.13 3dhw h VAL 22 Ca 0.09 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3dhw h VAL 22 Cb -0.02 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3dhw h VAL 22 CO -0.02 0.06 0.60 0.28 0.02 0.00 0.00 177.57 178.51 3dhw h SER 23 N 0.32 1.13 -0.96 0.57 0.02 -0.86 -1.81 113.55 111.97 3dhw h SER 23 Ca 0.09 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3dhw h SER 23 Cb -0.03 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.18 3dhw h SER 23 CO -0.02 0.85 0.60 1.23 -1.14 0.00 0.00 176.83 178.35 3dhw h GLY 24 N 1.32 1.38 1.15 -3.77 0.00 -1.00 1.37 103.07 103.51 3dhw h GLY 24 Ca 0.35 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3dhw h GLY 24 CO -0.07 0.54 0.28 0.74 0.00 0.00 0.00 176.54 178.03 3dhw h PHE 25 N 1.31 1.10 0.00 5.60 0.05 -0.56 -3.34 116.94 121.10 3dhw h PHE 25 Ca 0.35 -0.08 -0.19 0.00 3.82 0.00 0.00 57.97 61.87 3dhw h PHE 25 Cb -0.09 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 37.49 3dhw h PHE 25 CO 0.00 0.84 -1.71 1.97 -0.18 0.00 0.00 178.31 179.24 3dhw n PHE 26 N -4.28 0.00 0.00 -0.55 1.16 0.04 -3.93 117.46 109.89 3dhw n PHE 26 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3dhw n PHE 26 Cb 0.19 -0.51 0.00 0.00 -1.61 0.00 0.00 39.48 37.55 3dhw n PHE 26 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dhw n GLY 27 N 2.37 -2.73 0.37 4.97 0.00 0.45 0.92 105.19 111.54 3dhw n GLY 27 Ca -0.17 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 3dhw n GLY 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dhw h PHE 28 N 0.00 1.25 -0.02 1.61 -1.00 -1.73 0.75 116.94 117.79 3dhw h PHE 28 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3dhw h PHE 28 Cb 0.00 -0.41 -0.00 0.00 3.61 0.00 0.00 35.95 39.15 3dhw h PHE 28 CO 0.08 0.82 -0.02 0.28 -1.61 0.00 0.00 178.31 177.85 3dhw h VAL 29 N 1.31 1.38 -0.00 -0.55 2.07 -1.67 -3.39 116.25 115.41 3dhw h VAL 29 Ca 0.34 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3dhw h VAL 29 Cb -0.07 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3dhw h VAL 29 CO -0.07 0.31 -0.50 2.30 0.02 0.00 0.00 177.57 179.63 3dhw n ILE 30 N -4.81 0.00 -0.05 4.57 -5.35 0.25 -4.47 119.36 109.51 3dhw n ILE 30 Ca -0.08 -0.25 -0.00 0.00 -0.27 0.00 0.00 62.75 62.15 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 2.51 -0.00 -0.13 3.28 0.00 0.72 -3.33 103.07 106.12 3dhw h GLY 31 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 3dhw h GLY 31 CO 0.00 -0.00 0.64 1.41 0.00 0.00 0.00 176.54 178.59 3dhw h LEU 32 N -1.00 0.54 0.00 3.11 3.38 -1.58 0.22 115.31 119.97 3dhw h LEU 32 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dhw h LEU 32 Cb 0.01 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dhw h LEU 32 CO 0.00 0.10 0.08 -2.65 0.09 0.00 0.00 178.44 176.06 3dhw n PRO 33 N -4.72 0.00 -0.23 1.13 -0.02 -1.25 0.55 135.00 130.46 3dhw n PRO 33 Ca 0.26 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 3dhw n PRO 33 Cb 0.82 -1.58 0.19 0.00 -0.02 0.00 0.00 33.50 32.92 3dhw n PRO 33 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3dhw n VAL 34 N -0.81 1.05 -0.21 -1.45 0.24 0.76 -4.07 118.33 113.84 3dhw n VAL 34 Ca 0.00 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3dhw n VAL 34 Cb 0.08 0.47 0.25 0.00 -1.47 0.00 0.00 33.84 33.16 3dhw n VAL 34 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dhw h GLY 35 N 2.49 1.04 1.22 7.63 0.00 1.43 0.47 103.07 117.36 3dhw h GLY 35 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.04 3dhw h GLY 35 CO 0.01 0.39 0.29 -2.08 0.00 0.00 0.00 176.54 175.15 3dhw h VAL 36 N 1.01 0.68 -0.99 4.60 2.07 -1.71 -1.25 116.25 120.65 3dhw h VAL 36 Ca 0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 3dhw h VAL 36 Cb -0.10 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3dhw h VAL 36 CO -0.06 0.00 0.65 -0.07 0.02 0.00 0.00 177.57 178.11 3dhw h LEU 37 N 0.00 1.09 -0.04 2.57 3.38 -1.17 1.51 115.31 122.65 3dhw h LEU 37 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dhw h LEU 37 Cb 0.75 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dhw h LEU 37 CO -0.00 0.76 0.03 0.25 0.09 0.00 0.00 178.44 179.56 3dhw h LEU 38 N 1.27 0.04 -0.67 1.67 5.85 -1.32 0.90 115.31 123.05 3dhw h LEU 38 Ca 0.39 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 3dhw h LEU 38 Cb -0.03 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3dhw h LEU 38 CO -0.11 0.04 0.26 0.22 -0.34 0.00 0.00 178.44 178.50 3dhw h TYR 39 N 0.05 1.03 -0.95 1.25 3.20 -1.33 -2.60 116.97 117.62 3dhw h TYR 39 Ca 0.01 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 3dhw h TYR 39 Cb -0.00 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.91 3dhw h TYR 39 CO -0.08 0.81 0.59 0.28 -1.64 0.00 0.00 178.16 178.12 3dhw h VAL 40 N 0.95 1.26 0.00 1.81 2.07 0.26 -3.07 116.25 119.53 3dhw h VAL 40 Ca 0.22 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dhw h VAL 40 Cb 0.22 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3dhw h VAL 40 CO -0.02 0.26 0.00 0.71 0.02 0.00 0.00 177.57 178.55 3dhw h THR 41 N 1.31 0.00 -2.88 2.57 1.35 0.12 -3.35 112.91 112.03 3dhw h THR 41 Ca 0.34 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.66 3dhw h THR 41 Cb -0.08 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 3dhw h THR 41 CO -0.07 0.00 0.86 -0.60 -0.25 0.00 0.00 175.52 175.46 3dhw s ARG 42 N -3.87 4.27 -0.23 4.72 3.52 -1.16 -4.88 118.95 121.31 3dhw s ARG 42 Ca -0.04 2.00 -0.02 0.00 -0.13 0.00 0.00 55.73 57.54 3dhw s ARG 42 Cb 0.10 -3.59 -0.18 0.00 -1.56 0.00 0.00 34.95 29.72 3dhw s ARG 42 CO 0.31 -0.60 -0.12 -0.35 -0.81 0.00 0.00 175.30 173.73 3dhw n PRO 43 N 5.45 0.66 -0.08 5.12 -0.04 -1.25 -3.38 135.00 141.49 3dhw n PRO 43 Ca 0.13 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 3dhw n PRO 43 Cb 0.43 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3dhw n PRO 43 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dhw h GLY 44 N 1.38 0.42 0.00 0.55 0.00 -1.90 -3.38 103.07 100.14 3dhw h GLY 44 Ca -0.56 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3dhw h GLY 44 CO -0.10 0.19 0.00 -0.18 0.00 0.00 0.00 176.54 176.45 3dhw n GLN 45 N -4.82 0.00 -0.11 4.80 7.27 -1.26 -4.90 117.38 118.35 3dhw n GLN 45 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.92 3dhw n GLN 45 Cb 0.08 -0.25 -0.02 0.00 2.41 0.00 0.00 30.24 32.45 3dhw n GLN 45 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3dhw h ILE 46 N 0.00 1.27 -0.01 1.69 -0.00 -1.85 -3.50 117.51 115.11 3dhw h ILE 46 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 64.86 63.28 3dhw h ILE 46 Cb 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 3dhw h ILE 46 CO 0.00 0.53 0.00 2.30 -0.00 0.00 0.00 178.15 180.98 3dhw n ILE 47 N -4.05 0.00 0.00 2.19 -5.35 -1.22 -5.00 119.36 105.93 3dhw n ILE 47 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3dhw n ILE 47 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 -3.00 0.00 0.84 -1.28 0.00 -1.25 -3.74 120.51 112.08 3dhw n ALA 48 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3dhw n ALA 48 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 3dhw n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dhw n ASN 49 N 0.62 0.02 -1.56 0.00 6.94 -1.26 -2.73 115.26 117.29 3dhw n ASN 49 Ca 0.00 0.50 -0.06 0.00 -0.02 0.00 0.00 54.58 55.00 3dhw n ASN 49 Cb 0.00 -0.51 0.24 0.00 -2.36 0.00 0.00 39.78 37.15 3dhw n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dhw n ALA 50 N -1.51 4.39 -0.87 -2.53 0.00 -1.26 -4.86 120.51 113.87 3dhw n ALA 50 Ca 0.06 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.79 3dhw n ALA 50 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.73 -1.10 -0.21 0.00 2.85 -1.11 -4.84 118.16 113.03 3dhw n LYS 51 Ca 0.38 0.27 -0.09 0.00 -1.05 0.00 0.00 58.31 57.83 3dhw n LYS 51 Cb 1.24 -4.45 0.02 0.00 -0.65 0.00 0.00 35.03 31.18 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 0.00 0.99 -0.90 -5.58 3.38 -1.89 -1.94 115.31 109.37 3dhw h LEU 52 Ca 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dhw h LEU 52 Cb 0.55 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3dhw h LEU 52 CO 0.00 1.04 0.55 0.22 0.09 0.00 0.00 178.44 180.33 3dhw h TYR 53 N 0.91 1.18 -0.99 1.13 5.03 -1.86 -2.20 116.97 120.18 3dhw h TYR 53 Ca 0.17 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.49 3dhw h TYR 53 Cb 0.51 -0.39 -0.05 0.00 1.55 0.00 0.00 36.73 38.35 3dhw h TYR 53 CO 0.04 0.78 0.64 0.00 -1.32 0.00 0.00 178.16 178.30 3dhw h ARG 54 N 1.23 1.31 -0.36 1.82 3.08 -1.70 -0.96 114.38 118.80 3dhw h ARG 54 Ca 0.32 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 3dhw h ARG 54 Cb -0.06 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3dhw h ARG 54 CO -0.06 0.88 -0.38 1.79 -1.07 0.00 0.00 179.97 181.12 3dhw h THR 55 N 1.34 1.28 -0.00 2.04 1.35 -1.07 0.18 112.91 118.02 3dhw h THR 55 Ca 0.36 -1.56 -0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3dhw h THR 55 Cb -0.13 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3dhw h THR 55 CO -0.08 0.52 0.00 0.58 -0.25 0.00 0.00 175.52 176.29 3dhw h VAL 56 N 0.70 1.13 -0.52 6.82 2.07 -1.12 -1.86 116.25 123.48 3dhw h VAL 56 Ca 0.05 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 3dhw h VAL 56 Cb 0.98 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3dhw h VAL 56 CO 0.09 0.10 -0.14 0.77 0.02 0.00 0.00 177.57 178.42 3dhw h SER 57 N -0.16 1.02 -0.35 0.57 4.64 -1.17 -3.00 113.55 115.10 3dhw h SER 57 Ca 0.00 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3dhw h SER 57 Cb 0.17 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3dhw h SER 57 CO -0.00 1.14 0.23 0.00 -0.87 0.00 0.00 176.83 177.33 3dhw h ALA 58 N 0.94 0.45 -0.50 5.18 0.00 -0.35 0.36 119.26 125.32 3dhw h ALA 58 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3dhw h ALA 58 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3dhw h ALA 58 CO 0.05 -0.11 -0.15 -0.84 0.00 0.00 0.00 179.25 178.20 3dhw h ILE 59 N 0.46 1.27 -0.59 0.00 3.07 -1.34 -0.77 117.51 119.61 3dhw h ILE 59 Ca 0.13 -1.31 -0.09 0.00 1.55 0.00 0.00 64.86 65.15 3dhw h ILE 59 Cb -0.04 1.06 -0.02 0.00 -0.27 0.00 0.00 36.82 37.55 3dhw h ILE 59 CO -0.04 0.46 0.03 0.58 -1.05 0.00 0.00 178.15 178.13 3dhw h VAL 60 N 0.85 1.26 -0.99 0.16 2.07 -1.28 -1.83 116.25 116.50 3dhw h VAL 60 Ca 0.12 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3dhw h VAL 60 Cb 0.72 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3dhw h VAL 60 CO 0.06 0.40 0.66 -1.13 0.02 0.00 0.00 177.57 177.57 3dhw h ASN 61 N 0.92 1.14 -0.63 0.57 -1.24 -0.11 -1.58 115.58 114.65 3dhw h ASN 61 Ca 0.17 -0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 3dhw h ASN 61 Cb 0.51 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3dhw h ASN 61 CO 0.02 0.83 0.03 0.16 -1.29 0.00 0.00 177.43 177.18 3dhw h ILE 62 N 1.34 1.27 -1.00 2.57 3.07 -0.36 -3.02 117.51 121.38 3dhw h ILE 62 Ca 0.36 -1.13 0.02 0.00 1.55 0.00 0.00 64.86 65.66 3dhw h ILE 62 Cb -0.15 0.75 -0.05 0.00 -0.27 0.00 0.00 36.82 37.10 3dhw h ILE 62 CO -0.08 0.41 0.66 -0.26 -1.05 0.00 0.00 178.15 177.84 3dhw h PHE 63 N 1.00 1.25 -0.88 0.16 -1.00 -0.54 -1.77 116.94 115.16 3dhw h PHE 63 Ca 0.18 0.03 0.02 0.00 2.81 0.00 0.00 57.97 61.01 3dhw h PHE 63 Cb 0.53 -0.42 -0.05 0.00 3.61 0.00 0.00 35.95 39.62 3dhw h PHE 63 CO 0.04 0.77 0.58 0.00 -1.61 0.00 0.00 178.31 178.09 3dhw h ARG 64 N 1.34 1.13 -1.00 1.51 3.08 -1.37 -1.36 114.38 117.70 3dhw h ARG 64 Ca 0.38 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.38 3dhw h ARG 64 Cb -0.11 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.63 3dhw h ARG 64 CO -0.09 0.75 0.66 0.77 -1.07 0.00 0.00 179.97 180.99 3dhw h SER 65 N 1.16 1.14 -2.98 7.04 0.02 -1.20 -3.42 113.55 115.30 3dhw h SER 65 Ca 0.33 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.72 3dhw h SER 65 Cb -0.09 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.19 3dhw h SER 65 CO -0.08 0.81 0.74 -0.63 -1.14 0.00 0.00 176.83 176.53 3dhw s ILE 66 N -6.10 3.35 0.84 3.27 1.01 -0.51 -4.99 121.20 118.06 3dhw s ILE 66 Ca -0.13 0.95 -0.13 0.00 0.00 0.00 0.00 60.65 61.34 3dhw s ILE 66 Cb 0.18 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 39.14 3dhw s ILE 66 CO 0.82 0.06 1.18 -2.65 0.00 0.00 0.00 174.94 174.35 3dhw n PRO 67 N 4.16 0.02 -0.25 2.79 -0.02 -1.26 -4.86 135.00 135.58 3dhw n PRO 67 Ca 0.12 0.09 -0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3dhw n PRO 67 Cb 0.42 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3dhw n PRO 67 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3dhw h PHE 68 N -1.15 0.87 0.17 6.00 -1.00 -1.94 -1.63 116.94 118.26 3dhw h PHE 68 Ca -0.45 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.34 3dhw h PHE 68 Cb 1.29 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.56 3dhw h PHE 68 CO 0.47 0.55 -0.08 0.82 -1.61 0.00 0.00 178.31 178.46 3dhw h ILE 69 N 0.94 0.69 -0.01 -0.55 1.08 -1.96 -2.85 117.51 114.85 3dhw h ILE 69 Ca 0.26 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3dhw h ILE 69 Cb -0.11 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3dhw h ILE 69 CO -0.06 0.19 0.00 -0.29 -0.69 0.00 0.00 178.15 177.30 3dhw h ILE 70 N -0.93 1.01 -0.36 -0.67 2.10 -1.96 0.66 117.51 117.35 3dhw h ILE 70 Ca -0.02 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.89 3dhw h ILE 70 Cb 0.49 1.00 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 3dhw h ILE 70 CO 0.04 0.01 0.23 0.25 -1.08 0.00 0.00 178.15 177.60 3dhw h LEU 71 N 0.02 0.42 -0.36 2.19 6.46 -1.28 -2.43 115.31 120.32 3dhw h LEU 71 Ca 0.00 -0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.58 3dhw h LEU 71 Cb 0.01 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3dhw h LEU 71 CO 0.00 0.32 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.67 3dhw h LEU 72 N 0.48 0.98 -0.03 2.25 3.38 -0.65 -2.01 115.31 119.71 3dhw h LEU 72 Ca 0.13 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3dhw h LEU 72 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3dhw h LEU 72 CO -0.03 1.26 0.02 1.62 0.09 0.00 0.00 178.44 181.40 3dhw h VAL 73 N 0.72 1.07 -0.97 1.22 3.04 -1.33 1.07 116.25 121.07 3dhw h VAL 73 Ca 0.05 -0.20 0.01 0.00 -1.01 0.00 0.00 66.70 65.56 3dhw h VAL 73 Cb 1.00 1.14 -0.05 0.00 -2.01 0.00 0.00 31.29 31.37 3dhw h VAL 73 CO 0.10 0.06 0.64 -0.25 -1.01 0.00 0.00 177.57 177.11 3dhw h TRP 74 N -0.03 1.21 -0.94 3.17 7.01 -1.54 -0.75 115.95 124.09 3dhw h TRP 74 Ca 0.01 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3dhw h TRP 74 Cb 0.08 -0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 26.68 3dhw h TRP 74 CO -0.05 0.75 0.59 1.98 -2.79 0.00 0.00 178.44 178.92 3dhw h MET 75 N 1.30 1.26 -0.49 2.65 4.05 -0.36 -3.23 114.93 120.10 3dhw h MET 75 Ca 0.36 -0.10 0.10 0.00 -0.28 0.00 0.00 59.70 59.78 3dhw h MET 75 Cb -0.13 -0.27 -0.09 0.00 -0.80 0.00 0.00 31.60 30.31 3dhw h MET 75 CO -0.09 0.86 -0.13 0.82 0.23 0.00 0.00 176.91 178.60 3dhw h ILE 76 N 1.28 0.49 -0.01 1.77 1.08 0.27 0.23 117.51 122.63 3dhw h ILE 76 Ca 0.34 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.84 3dhw h ILE 76 Cb -0.10 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 3dhw h ILE 76 CO -0.07 0.00 -0.32 -0.65 -0.69 0.00 0.00 178.15 176.42 3dhw h PRO 77 N -0.01 -0.45 0.00 2.37 0.11 -1.64 -1.89 132.00 130.49 3dhw h PRO 77 Ca 0.24 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3dhw h PRO 77 Cb 0.37 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3dhw h PRO 77 CO -0.51 -0.30 0.00 1.19 -0.21 0.00 0.00 178.00 178.17 3dhw n PHE 78 N -5.41 0.00 -0.35 0.65 3.72 -1.04 -3.55 117.46 111.47 3dhw n PHE 78 Ca -0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 3dhw n PHE 78 Cb 0.33 -0.36 0.10 0.00 -0.94 0.00 0.00 39.48 38.60 3dhw n PHE 78 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3dhw h THR 79 N 0.00 1.26 -2.54 4.37 2.02 0.31 -3.43 112.91 114.89 3dhw h THR 79 Ca 0.00 -0.53 -0.57 0.00 0.77 0.00 0.00 66.41 66.08 3dhw h THR 79 Cb 0.28 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3dhw h THR 79 CO 0.00 0.26 1.24 -0.60 0.37 0.00 0.00 175.52 176.79 3dhw s ARG 80 N -6.01 3.65 0.21 6.66 3.52 -1.23 -4.58 118.95 121.17 3dhw s ARG 80 Ca -0.13 1.85 -0.03 0.00 -0.13 0.00 0.00 55.73 57.29 3dhw s ARG 80 Cb 0.17 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 3dhw s ARG 80 CO 0.82 -1.49 0.18 0.14 -0.81 0.00 0.00 175.30 174.14 3dhw s VAL 81 N 5.95 0.00 0.25 7.11 -7.23 0.24 -4.99 120.40 121.73 3dhw s VAL 81 Ca 0.81 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.00 3dhw s VAL 81 Cb -0.29 -2.45 0.25 0.00 0.56 0.00 0.00 36.38 34.45 3dhw s VAL 81 CO 0.33 -0.01 1.92 0.40 -0.31 0.00 0.00 175.10 177.44 3dhw h ILE 82 N 2.57 1.26 -0.55 -0.62 1.08 -2.02 -2.81 117.51 116.42 3dhw h ILE 82 Ca -0.35 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3dhw h ILE 82 Cb 1.25 -0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3dhw h ILE 82 CO 0.51 0.25 0.11 0.58 -0.69 0.00 0.00 178.15 178.91 3dhw h VAL 83 N 1.35 1.25 -3.85 1.67 2.07 -1.97 -3.45 116.25 113.32 3dhw h VAL 83 Ca 0.36 -0.92 -0.32 0.00 0.82 0.00 0.00 66.70 66.63 3dhw h VAL 83 Cb -0.14 0.80 -0.29 0.00 -1.52 0.00 0.00 31.29 30.13 3dhw h VAL 83 CO -0.08 0.34 -0.75 -0.83 0.02 0.00 0.00 177.57 176.27 3dhw s GLY 84 N -3.31 0.25 -0.16 2.17 0.00 -1.06 -4.86 107.32 100.34 3dhw s GLY 84 Ca -0.13 -0.18 0.14 0.00 0.00 0.00 0.00 44.72 44.56 3dhw s GLY 84 CO 0.81 -0.10 1.21 2.41 0.00 0.00 0.00 173.10 177.43 3dhw n THR 85 N 3.08 1.72 -2.66 0.90 -1.04 -1.26 0.82 114.28 115.84 3dhw n THR 85 Ca -0.14 -2.75 -0.22 0.00 -2.04 0.00 0.00 64.05 58.90 3dhw n THR 85 Cb 0.57 0.04 0.01 0.00 -1.82 0.00 0.00 70.33 69.13 3dhw n THR 85 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3dhw n SER 86 N -0.76 -6.05 -0.00 8.00 7.64 -1.26 -4.84 113.62 116.35 3dhw n SER 86 Ca 0.16 -0.13 -0.00 0.00 1.01 0.00 0.00 58.87 59.91 3dhw n SER 86 Cb 0.79 -4.97 -0.00 0.00 -1.01 0.00 0.00 64.21 59.02 3dhw n SER 86 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3dhw h ILE 87 N -0.58 0.00 0.00 0.44 2.04 -1.91 -3.47 117.51 114.03 3dhw h ILE 87 Ca -0.51 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3dhw h ILE 87 Cb 1.37 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3dhw h ILE 87 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.34 3dhw n GLY 88 N 1.95 4.90 0.14 5.37 0.00 -1.26 -4.73 105.19 111.56 3dhw n GLY 88 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 0.33 -0.96 0.99 3.38 -1.93 1.43 115.31 118.55 3dhw h LEU 89 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dhw h LEU 89 Cb 0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3dhw h LEU 89 CO 0.00 0.26 0.62 -0.61 0.09 0.00 0.00 178.44 178.80 3dhw h GLN 90 N 0.36 1.28 -0.54 1.13 4.15 -1.97 0.50 115.11 120.02 3dhw h GLN 90 Ca 0.10 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 3dhw h GLN 90 Cb -0.01 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.38 3dhw h GLN 90 CO -0.02 0.87 -0.08 0.00 -1.93 0.00 0.00 178.83 177.66 3dhw h ALA 91 N 1.34 0.74 -0.35 3.38 0.00 -1.79 -3.21 119.26 119.38 3dhw h ALA 91 Ca 0.35 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3dhw h ALA 91 Cb -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3dhw h ALA 91 CO -0.07 0.64 -0.40 0.00 0.00 0.00 0.00 179.25 179.41 3dhw h ALA 92 N 0.93 0.52 -0.47 0.00 0.00 0.32 -3.35 119.26 117.21 3dhw h ALA 92 Ca 0.14 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3dhw h ALA 92 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dhw h ALA 92 CO 0.04 0.63 -0.23 -0.84 0.00 0.00 0.00 179.25 178.85 3dhw h ILE 93 N 0.69 1.27 -0.39 0.00 3.07 -0.09 -3.06 117.51 118.99 3dhw h ILE 93 Ca 0.05 -1.40 0.08 0.00 1.55 0.00 0.00 64.86 65.14 3dhw h ILE 93 Cb 1.00 1.15 -0.07 0.00 -0.27 0.00 0.00 36.82 38.63 3dhw h ILE 93 CO 0.10 0.48 -0.08 -0.37 -1.05 0.00 0.00 178.15 177.23 3dhw h VAL 94 N 0.83 0.62 0.00 0.16 -1.51 -1.69 -2.03 116.25 112.64 3dhw h VAL 94 Ca 0.10 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.55 3dhw h VAL 94 Cb 0.81 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3dhw h VAL 94 CO 0.07 0.00 -0.08 -0.65 -1.23 0.00 0.00 177.57 175.68 3dhw h PRO 95 N 0.02 0.00 -0.65 5.19 0.11 -1.72 -1.82 132.00 133.14 3dhw h PRO 95 Ca 0.19 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 3dhw h PRO 95 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3dhw h PRO 95 CO -0.39 0.08 0.07 1.25 -0.21 0.00 0.00 178.00 178.80 3dhw h LEU 96 N 0.00 1.06 -0.83 2.35 5.85 -1.33 -1.96 115.31 120.45 3dhw h LEU 96 Ca -0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3dhw h LEU 96 Cb 0.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3dhw h LEU 96 CO 0.01 1.07 0.52 0.71 -0.34 0.00 0.00 178.44 180.41 3dhw h THR 97 N 1.01 1.22 -0.89 1.05 1.35 -0.63 -1.35 112.91 114.67 3dhw h THR 97 Ca 0.19 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 3dhw h THR 97 Cb 0.49 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.91 3dhw h THR 97 CO 0.02 0.23 0.48 0.58 -0.25 0.00 0.00 175.52 176.58 3dhw h VAL 98 N 1.13 1.26 -0.62 6.82 2.07 -1.47 2.32 116.25 127.77 3dhw h VAL 98 Ca 0.30 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3dhw h VAL 98 Cb -0.08 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3dhw h VAL 98 CO -0.06 0.29 0.41 1.23 0.02 0.00 0.00 177.57 179.46 3dhw h GLY 99 N 1.25 0.86 0.34 2.17 0.00 -0.49 -2.32 103.07 104.88 3dhw h GLY 99 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dhw h GLY 99 CO -0.05 0.30 -1.18 0.00 0.00 0.00 0.00 176.54 175.62 3dhw n ALA 100 N -2.44 3.68 0.25 3.60 0.00 0.30 -4.60 120.51 121.29 3dhw n ALA 100 Ca 0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 3dhw n ALA 100 Cb 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 3dhw n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dhw h ALA 101 N 2.59 -1.09 0.00 0.00 0.00 0.44 -0.85 119.26 120.34 3dhw h ALA 101 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3dhw h ALA 101 Cb 0.71 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3dhw h ALA 101 CO 0.00 -1.10 -0.20 -1.00 0.00 0.00 0.00 179.25 176.95 3dhw h PRO 102 N -0.79 0.00 -0.01 0.00 0.13 -1.84 -1.20 132.00 128.29 3dhw h PRO 102 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3dhw h PRO 102 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3dhw h PRO 102 CO -0.00 0.20 -0.00 0.35 -0.23 0.00 0.00 178.00 178.31 3dhw h PHE 103 N 0.00 -0.01 0.00 1.56 3.57 -1.74 -1.91 116.94 118.40 3dhw h PHE 103 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dhw h PHE 103 Cb 0.46 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3dhw h PHE 103 CO 0.00 -0.01 0.00 -0.84 -2.23 0.00 0.00 178.31 175.23 3dhw h ILE 104 N -0.01 0.00 -0.06 1.41 3.07 -1.02 -3.26 117.51 117.65 3dhw h ILE 104 Ca 0.00 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.59 3dhw h ILE 104 Cb 0.01 1.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.37 3dhw h ILE 104 CO -0.01 0.00 0.03 0.00 -1.05 0.00 0.00 178.15 177.12 3dhw h ALA 105 N 2.04 0.07 0.00 0.16 0.00 -0.42 -1.36 119.26 119.74 3dhw h ALA 105 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3dhw h ALA 105 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3dhw h ALA 105 CO 0.00 -0.44 -0.42 -0.09 0.00 0.00 0.00 179.25 178.30 3dhw h ARG 106 N 0.07 0.00 -0.99 0.00 2.43 -1.53 -2.69 114.38 111.66 3dhw h ARG 106 Ca 0.02 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3dhw h ARG 106 Cb -0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3dhw h ARG 106 CO -0.01 0.42 0.66 0.52 -1.51 0.00 0.00 179.97 180.04 3dhw h MET 107 N 0.00 1.29 -0.51 0.20 2.86 -1.33 0.10 114.93 117.55 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 0.79 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3dhw h MET 107 CO 0.05 0.86 0.33 0.28 1.06 0.00 0.00 176.91 179.49 3dhw h VAL 108 N 1.33 1.14 -0.47 -2.22 2.07 -0.98 -2.45 116.25 114.67 3dhw h VAL 108 Ca 0.37 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3dhw h VAL 108 Cb -0.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3dhw h VAL 108 CO -0.09 0.13 0.30 -0.08 0.02 0.00 0.00 177.57 177.86 3dhw h GLU 109 N 0.68 0.59 0.00 1.57 4.81 -0.96 -2.51 114.58 118.77 3dhw h GLU 109 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3dhw h GLU 109 Cb -0.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3dhw h GLU 109 CO -0.04 0.39 0.00 -0.91 -0.73 0.00 0.00 179.01 177.73 3dhw h ASN 110 N 0.61 0.00 0.55 1.04 2.35 -0.44 -0.44 115.58 119.26 3dhw h ASN 110 Ca 0.18 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.64 3dhw h ASN 110 Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3dhw h ASN 110 CO -0.05 0.00 -1.50 0.00 -1.65 0.00 0.00 177.43 174.22 3dhw h ALA 111 N 2.00 0.43 -0.56 -0.83 0.00 -1.35 -3.25 119.26 115.71 3dhw h ALA 111 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 54.91 53.61 3dhw h ALA 111 Cb 0.51 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3dhw h ALA 111 CO 0.00 1.29 -0.09 -0.07 0.00 0.00 0.00 179.25 180.38 3dhw h LEU 112 N 0.04 1.05 -1.13 0.00 3.38 -1.05 -3.15 115.31 114.45 3dhw h LEU 112 Ca -0.22 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.41 3dhw h LEU 112 Cb 1.97 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 3dhw h LEU 112 CO 0.13 1.14 0.57 -0.07 0.09 0.00 0.00 178.44 180.30 3dhw h LEU 113 N 0.93 1.01 -1.01 1.67 3.38 -1.24 -3.13 115.31 116.92 3dhw h LEU 113 Ca 0.15 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3dhw h LEU 113 Cb 0.66 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3dhw h LEU 113 CO 0.05 0.74 0.66 -0.33 0.09 0.00 0.00 178.44 179.65 3dhw h GLU 114 N 1.18 1.26 -6.80 1.13 4.39 -1.57 -3.43 114.58 110.74 3dhw h GLU 114 Ca 0.32 -0.08 -0.49 0.00 0.34 0.00 0.00 59.36 59.45 3dhw h GLU 114 Cb -0.12 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.24 3dhw h GLU 114 CO -0.07 0.83 0.40 0.42 -1.16 0.00 0.00 179.01 179.44 3dhw s ILE 115 N -6.09 3.83 -0.76 3.13 1.09 -1.19 -4.96 121.20 116.26 3dhw s ILE 115 Ca -0.13 1.78 -0.09 0.00 -1.10 0.00 0.00 60.65 61.11 3dhw s ILE 115 Cb 0.19 -4.10 -0.25 0.00 -1.06 0.00 0.00 42.46 37.24 3dhw s ILE 115 CO 0.82 0.37 1.69 -2.65 -0.10 0.00 0.00 174.94 175.07 3dhw n PRO 116 N 1.16 0.00 -0.26 2.79 -0.02 -1.26 -4.96 135.00 132.45 3dhw n PRO 116 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.42 3dhw n PRO 116 Cb 0.47 -0.81 0.06 0.00 -0.02 0.00 0.00 33.50 33.20 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 5.41 1.20 -0.74 3.45 2.02 -1.93 0.38 112.91 122.71 3dhw h THR 117 Ca 0.02 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3dhw h THR 117 Cb 0.88 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3dhw h THR 117 CO 1.22 0.20 0.00 0.61 0.37 0.00 0.00 175.52 177.92 3dhw n GLY 118 N -1.22 2.46 0.00 2.16 0.00 -1.26 -4.16 105.19 103.17 3dhw n GLY 118 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3dhw n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhw n LEU 119 N 1.66 0.48 -0.10 0.99 4.77 -1.20 -4.73 117.00 118.87 3dhw n LEU 119 Ca 0.25 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3dhw n LEU 119 Cb 0.62 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3dhw n LEU 119 CO 0.17 0.08 0.50 0.40 -1.33 0.00 0.00 177.39 177.21 3dhw h ILE 120 N 0.00 1.27 0.00 -0.08 1.08 -1.16 -2.99 117.51 115.64 3dhw h ILE 120 Ca 0.00 -1.64 -0.03 0.00 -0.39 0.00 0.00 64.86 62.80 3dhw h ILE 120 Cb 0.17 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3dhw h ILE 120 CO 0.00 0.54 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.53 3dhw h GLU 121 N 0.72 0.00 0.00 2.37 4.39 -1.72 0.70 114.58 121.04 3dhw h GLU 121 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3dhw h GLU 121 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3dhw h GLU 121 CO 0.11 0.14 -0.11 0.00 -1.16 0.00 0.00 179.01 177.99 3dhw h ALA 122 N 1.86 1.19 0.00 3.43 0.00 -1.79 -1.10 119.26 122.86 3dhw h ALA 122 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dhw h ALA 122 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dhw h ALA 122 CO 0.02 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.07 3dhw h SER 123 N 0.00 0.00 -0.93 0.00 4.64 0.47 0.45 113.55 118.18 3dhw h SER 123 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3dhw h SER 123 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 3dhw h SER 123 CO 0.01 0.00 0.62 -0.09 -0.87 0.00 0.00 176.83 176.50 3dhw h ARG 124 N 0.00 1.23 -0.97 4.77 2.43 -1.27 0.05 114.38 120.62 3dhw h ARG 124 Ca 0.00 -0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.27 3dhw h ARG 124 Cb 0.48 -0.28 -0.10 0.00 -0.42 0.00 0.00 29.97 29.65 3dhw h ARG 124 CO 0.00 0.81 0.58 0.00 -1.51 0.00 0.00 179.97 179.85 3dhw h ALA 125 N 1.42 1.57 -0.96 2.80 0.00 -0.99 0.54 119.26 123.64 3dhw h ALA 125 Ca 0.34 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3dhw h ALA 125 Cb -0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3dhw h ALA 125 CO -0.07 -0.03 0.63 1.98 0.00 0.00 0.00 179.25 181.76 3dhw h MET 126 N 0.76 1.27 0.00 0.00 1.85 -1.04 -3.48 114.93 114.29 3dhw h MET 126 Ca 0.55 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.56 3dhw h MET 126 Cb 0.80 -0.28 0.00 0.00 0.43 0.00 0.00 31.60 32.55 3dhw h MET 126 CO -0.37 0.85 0.00 0.41 -0.40 0.00 0.00 176.91 177.40 3dhw n GLY 127 N -1.35 -1.77 3.11 1.39 0.00 0.19 -5.16 105.19 101.60 3dhw n GLY 127 Ca 0.11 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 3dhw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhw s ALA 128 N -1.67 -0.29 -0.51 4.61 0.00 -1.26 -4.54 121.76 118.09 3dhw s ALA 128 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.83 3dhw s ALA 128 Cb 0.00 0.14 0.25 0.00 0.00 0.00 0.00 23.12 23.51 3dhw s ALA 128 CO 0.00 -0.23 0.63 2.41 0.00 0.00 0.00 175.76 178.58 3dhw n THR 129 N 1.33 0.83 0.00 0.00 -1.04 -1.26 -5.06 114.28 109.08 3dhw n THR 129 Ca -0.22 -4.61 0.00 0.00 -2.04 0.00 0.00 64.05 57.17 3dhw n THR 129 Cb 0.56 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 3dhw n THR 129 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3dhw n PRO 130 N 1.13 0.00 -0.35 -2.82 -0.02 -1.26 -3.00 135.00 128.68 3dhw n PRO 130 Ca 0.25 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.70 3dhw n PRO 130 Cb 0.47 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.05 3dhw n PRO 130 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3dhw h MET 131 N 0.00 1.28 0.00 -0.52 2.86 -2.00 -3.37 114.93 113.18 3dhw h MET 131 Ca 0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3dhw h MET 131 Cb 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.40 3dhw h MET 131 CO 0.00 0.91 0.00 1.04 1.06 0.00 0.00 176.91 179.92 3dhw n GLN 132 N -4.34 0.00 -0.16 1.72 1.13 -1.16 -3.97 117.38 110.60 3dhw n GLN 132 Ca 0.10 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.05 3dhw n GLN 132 Cb 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.42 3dhw n GLN 132 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3dhw h ILE 133 N 0.00 1.27 -0.06 5.09 1.08 -1.82 -2.06 117.51 121.01 3dhw h ILE 133 Ca 0.00 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3dhw h ILE 133 Cb 0.00 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3dhw h ILE 133 CO 0.00 0.48 0.04 0.58 -0.69 0.00 0.00 178.15 178.56 3dhw h VAL 134 N 0.84 1.02 -0.06 1.67 2.07 -1.73 0.33 116.25 120.38 3dhw h VAL 134 Ca 0.11 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 3dhw h VAL 134 Cb 0.80 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3dhw h VAL 134 CO 0.07 0.02 -0.48 0.03 0.02 0.00 0.00 177.57 177.23 3dhw h ARG 135 N 0.08 0.16 0.00 1.57 -0.00 -1.69 -2.04 114.38 112.46 3dhw h ARG 135 Ca 0.02 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.98 59.36 3dhw h ARG 135 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 3dhw h ARG 135 CO -0.00 0.61 -0.26 -0.22 0.00 0.00 0.00 179.97 180.09 3dhw h LYS 136 N 0.13 0.00 -0.37 0.04 3.64 -0.61 -2.74 116.57 116.66 3dhw h LYS 136 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dhw h LYS 136 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3dhw h LYS 136 CO 0.07 0.26 0.00 1.33 -2.27 0.00 0.00 179.45 178.84 3dhw n VAL 137 N -4.10 0.99 0.75 2.00 0.24 0.11 -4.40 118.33 113.92 3dhw n VAL 137 Ca -0.02 -1.00 0.10 0.00 -2.04 0.00 0.00 64.34 61.39 3dhw n VAL 137 Cb 0.32 0.51 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 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 0.59 0.74 -0.03 1.34 4.77 -0.78 -4.41 117.00 119.23 3dhw n LEU 138 Ca 0.12 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.66 3dhw n LEU 138 Cb 0.44 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3dhw n LEU 138 CO 0.08 0.18 0.84 -0.07 -1.33 0.00 0.00 177.39 177.10 3dhw h LEU 139 N 0.00 -0.13 -1.79 2.23 3.38 -1.70 -2.70 115.31 114.60 3dhw h LEU 139 Ca 0.00 0.05 0.42 0.00 0.09 0.00 0.00 57.88 58.44 3dhw h LEU 139 Cb 0.63 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 3dhw h LEU 139 CO 0.00 -0.04 0.99 -0.65 0.09 0.00 0.00 178.44 178.83 3dhw h PRO 140 N 0.01 0.06 -0.97 1.13 0.11 -1.85 0.96 132.00 131.45 3dhw h PRO 140 Ca 0.08 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3dhw h PRO 140 Cb 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 3dhw h PRO 140 CO -0.16 0.04 0.61 0.93 -0.21 0.00 0.00 178.00 179.21 3dhw h GLU 141 N 0.07 1.30 -0.01 1.05 4.39 -1.77 -1.79 114.58 117.83 3dhw h GLU 141 Ca 0.73 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 60.33 3dhw h GLU 141 Cb 2.67 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 31.04 3dhw h GLU 141 CO -0.13 0.89 -0.16 0.00 -1.16 0.00 0.00 179.01 178.44 3dhw n ALA 142 N -2.39 2.90 -0.17 3.43 0.00 0.32 -4.59 120.51 120.01 3dhw n ALA 142 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3dhw n ALA 142 Cb 0.04 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 1.48 -0.46 -0.38 0.00 3.38 -0.38 0.13 115.31 119.08 3dhw h LEU 143 Ca 0.00 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3dhw h LEU 143 Cb 0.49 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 3dhw h LEU 143 CO 0.00 -0.16 -0.19 1.55 0.09 0.00 0.00 178.44 179.73 3dhw h PRO 144 N 0.02 -0.11 -0.53 1.13 0.13 -1.81 1.15 132.00 131.97 3dhw h PRO 144 Ca 0.26 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.36 3dhw h PRO 144 Cb 0.40 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 3dhw h PRO 144 CO -0.54 -0.08 0.18 0.78 -0.23 0.00 0.00 178.00 178.12 3dhw h GLY 145 N -0.12 0.87 0.97 1.56 0.00 -1.82 -0.26 103.07 104.28 3dhw h GLY 145 Ca 0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3dhw h GLY 145 CO -0.46 0.47 0.13 1.41 0.00 0.00 0.00 176.54 178.09 3dhw h LEU 146 N 0.72 0.25 -0.62 3.11 3.38 0.13 1.47 115.31 123.76 3dhw h LEU 146 Ca 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3dhw h LEU 146 Cb 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3dhw h LEU 146 CO -0.01 0.22 0.28 0.58 0.09 0.00 0.00 178.44 179.61 3dhw h VAL 147 N 0.26 1.22 -0.47 1.22 2.07 0.12 -0.71 116.25 119.96 3dhw h VAL 147 Ca 0.08 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3dhw h VAL 147 Cb 0.01 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3dhw h VAL 147 CO -0.01 0.26 0.31 -1.13 0.02 0.00 0.00 177.57 177.01 3dhw h ASN 148 N 0.85 0.55 -0.06 0.57 -1.24 -0.55 -1.76 115.58 113.94 3dhw h ASN 148 Ca 0.21 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3dhw h ASN 148 Cb 0.15 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 3dhw h ASN 148 CO -0.02 0.41 0.04 0.00 -1.29 0.00 0.00 177.43 176.56 3dhw h ALA 149 N 1.16 0.07 -1.00 1.57 0.00 0.27 -1.87 119.26 119.46 3dhw h ALA 149 Ca 0.17 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dhw h ALA 149 Cb -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3dhw h ALA 149 CO -0.04 -0.43 0.66 0.00 0.00 0.00 0.00 179.25 179.44 3dhw h ALA 150 N 1.02 1.29 -0.90 0.00 0.00 -1.16 0.13 119.26 119.64 3dhw h ALA 150 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dhw h ALA 150 Cb -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 3dhw h ALA 150 CO -0.00 0.66 0.58 1.15 0.00 0.00 0.00 179.25 181.63 3dhw h THR 151 N 1.35 1.24 0.00 0.00 2.02 -0.58 -2.07 112.91 114.87 3dhw h THR 151 Ca 0.37 -0.45 -0.22 0.00 0.77 0.00 0.00 66.41 66.88 3dhw h THR 151 Cb -0.15 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.16 3dhw h THR 151 CO -0.08 0.23 -1.04 0.16 0.37 0.00 0.00 175.52 175.16 3dhw h ILE 152 N 1.23 1.67 -0.83 3.11 3.07 -0.96 -3.17 117.51 121.63 3dhw h ILE 152 Ca 0.33 -3.38 -0.03 0.00 1.55 0.00 0.00 64.86 63.32 3dhw h ILE 152 Cb -0.12 2.83 -0.04 0.00 -0.27 0.00 0.00 36.82 39.22 3dhw h ILE 152 CO -0.07 0.95 0.38 0.71 -1.05 0.00 0.00 178.15 179.07 3dhw h THR 153 N 0.00 1.26 -0.71 0.16 1.35 -0.57 -1.75 112.91 112.65 3dhw h THR 153 Ca -0.03 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.02 3dhw h THR 153 Cb 1.79 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 3dhw h THR 153 CO 0.13 0.32 0.18 -0.07 -0.25 0.00 0.00 175.52 175.82 3dhw h LEU 154 N 1.18 1.07 -0.45 3.87 3.38 -1.45 2.63 115.31 125.55 3dhw h LEU 154 Ca 0.28 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3dhw h LEU 154 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dhw h LEU 154 CO -0.03 1.02 -0.37 0.16 0.09 0.00 0.00 178.44 179.31 3dhw h ILE 155 N 1.07 1.27 -0.07 1.22 3.07 -1.46 0.44 117.51 123.05 3dhw h ILE 155 Ca 0.22 -1.54 -0.25 0.00 1.55 0.00 0.00 64.86 64.85 3dhw h ILE 155 Cb 0.37 1.37 0.02 0.00 -0.27 0.00 0.00 36.82 38.30 3dhw h ILE 155 CO 0.00 0.51 -0.92 0.71 -1.05 0.00 0.00 178.15 177.41 3dhw h THR 156 N 0.74 1.28 -0.92 0.16 1.35 -0.79 -3.09 112.91 111.63 3dhw h THR 156 Ca 0.07 -2.12 -0.01 0.00 -0.55 0.00 0.00 66.41 63.79 3dhw h THR 156 Cb 0.95 2.19 -0.04 0.00 -1.73 0.00 0.00 68.15 69.52 3dhw h THR 156 CO 0.09 0.66 0.53 0.25 -0.25 0.00 0.00 175.52 176.80 3dhw h LEU 157 N 0.46 1.13 -0.18 3.87 5.85 0.50 -0.12 115.31 126.81 3dhw h LEU 157 Ca -0.09 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3dhw h LEU 157 Cb 1.56 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3dhw h LEU 157 CO 0.18 0.89 0.12 0.58 -0.34 0.00 0.00 178.44 179.87 3dhw h VAL 158 N 1.28 1.04 -0.62 1.05 2.07 -0.21 -0.35 116.25 120.52 3dhw h VAL 158 Ca 0.33 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.77 3dhw h VAL 158 Cb -0.01 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3dhw h VAL 158 CO -0.06 0.04 0.41 1.23 0.02 0.00 0.00 177.57 179.21 3dhw h GLY 159 N 0.24 0.87 0.96 2.17 0.00 -1.37 -2.14 103.07 103.81 3dhw h GLY 159 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3dhw h GLY 159 CO -0.02 0.32 0.01 -1.82 0.00 0.00 0.00 176.54 175.03 3dhw h TYR 160 N 0.84 0.02 -0.80 5.60 5.03 0.59 -1.64 116.97 126.61 3dhw h TYR 160 Ca 0.23 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.50 3dhw h TYR 160 Cb -0.09 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.15 3dhw h TYR 160 CO 0.00 0.01 0.35 1.03 -1.32 0.00 0.00 178.16 178.23 3dhw h SER 161 N 0.03 1.07 -1.00 -2.11 0.87 -1.09 0.77 113.55 112.09 3dhw h SER 161 Ca 0.02 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3dhw h SER 161 Cb 0.01 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.64 3dhw h SER 161 CO -0.02 0.92 0.66 0.00 -0.53 0.00 0.00 176.83 177.86 3dhw h ALA 162 N 1.24 1.31 -0.76 6.23 0.00 -0.64 0.74 119.26 127.38 3dhw h ALA 162 Ca 0.27 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3dhw h ALA 162 Cb 0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3dhw h ALA 162 CO -0.03 0.59 0.26 0.52 0.00 0.00 0.00 179.25 180.59 3dhw h MET 163 N 1.30 1.16 -1.01 0.00 2.07 -0.76 -2.50 114.93 115.20 3dhw h MET 163 Ca 0.39 -0.23 0.01 0.00 -2.07 0.00 0.00 59.70 57.80 3dhw h MET 163 Cb -0.05 -0.17 -0.05 0.00 -1.87 0.00 0.00 31.60 29.45 3dhw h MET 163 CO -0.11 0.97 0.67 0.78 1.07 0.00 0.00 176.91 180.28 3dhw h GLY 164 N 1.11 1.42 1.01 8.32 0.00 0.19 0.34 103.07 115.47 3dhw h GLY 164 Ca 0.25 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3dhw h GLY 164 CO -0.01 0.50 0.66 -1.33 0.00 0.00 0.00 176.54 176.36 3dhw h GLY 165 N 1.35 1.41 -0.83 4.60 0.00 0.31 -1.88 103.07 108.03 3dhw h GLY 165 Ca 0.37 -0.53 0.40 0.00 0.00 0.00 0.00 47.33 47.58 3dhw h GLY 165 CO -0.09 0.51 1.03 0.00 0.00 0.00 0.00 176.54 178.00 3dhw h ALA 166 N 1.37 3.30 -3.00 3.60 0.00 0.17 -3.37 119.26 121.33 3dhw h ALA 166 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dhw h ALA 166 Cb -0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dhw h ALA 166 CO -0.08 -1.74 0.00 1.33 0.00 0.00 0.00 179.25 178.76 3dhw n VAL 167 N -4.03 0.00 0.29 0.00 0.24 -0.71 -4.85 118.33 109.27 3dhw n VAL 167 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3dhw n VAL 167 Cb 1.47 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3dhw n VAL 167 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dhw h GLY 168 N 0.00 0.00 0.00 7.63 0.00 -1.77 -3.44 103.07 105.49 3dhw h GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dhw h GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dhw n ALA 169 N -1.44 0.00 -1.39 3.60 0.00 -1.20 -4.66 120.51 115.42 3dhw n ALA 169 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3dhw n ALA 169 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.33 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 0.00 -1.90 0.00 0.00 0.00 -1.26 -3.61 105.19 98.42 3dhw n GLY 170 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.07 0.00 0.35 -0.02 0.00 -1.26 -4.67 105.19 95.53 3dhw n GLY 171 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3dhw n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dhw h LEU 172 N 0.00 1.07 -0.59 0.99 3.38 -1.91 0.18 115.31 118.43 3dhw h LEU 172 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3dhw h LEU 172 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3dhw h LEU 172 CO 0.00 0.77 0.21 1.23 0.09 0.00 0.00 178.44 180.74 3dhw h GLY 173 N 1.26 0.96 -0.52 0.83 0.00 -1.83 -3.20 103.07 100.58 3dhw h GLY 173 Ca 0.34 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3dhw h GLY 173 CO -0.07 0.51 0.00 -1.06 0.00 0.00 0.00 176.54 175.92 3dhw n GLN 174 N -4.44 1.69 -0.06 4.80 6.02 -0.48 -2.34 117.38 122.56 3dhw n GLN 174 Ca 0.03 -1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 55.88 3dhw n GLN 174 Cb 0.19 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 3dhw n GLN 174 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 3dhw h ILE 175 N 2.42 1.34 -0.39 5.09 3.07 -0.68 0.76 117.51 129.13 3dhw h ILE 175 Ca 0.00 -1.54 -0.16 0.00 1.55 0.00 0.00 64.86 64.71 3dhw h ILE 175 Cb 0.51 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 3dhw h ILE 175 CO 0.00 0.47 -0.38 1.23 -1.05 0.00 0.00 178.15 178.42 3dhw h GLY 176 N 0.17 1.02 1.04 0.16 0.00 -1.68 -1.25 103.07 102.53 3dhw h GLY 176 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.31 3dhw h GLY 176 CO 0.07 0.94 0.61 -1.82 0.00 0.00 0.00 176.54 176.34 3dhw h TYR 177 N 0.77 1.24 -0.97 5.60 5.03 -1.52 0.83 116.97 127.95 3dhw h TYR 177 Ca 0.06 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.39 3dhw h TYR 177 Cb 0.97 -0.41 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 3dhw h TYR 177 CO 0.06 0.80 0.62 0.37 -1.32 0.00 0.00 178.16 178.69 3dhw h GLN 178 N 1.31 1.29 -0.74 1.82 5.75 0.12 -0.22 115.11 124.43 3dhw h GLN 178 Ca 0.35 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 3dhw h GLN 178 Cb -0.11 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.16 3dhw h GLN 178 CO -0.07 0.87 0.00 0.66 -2.65 0.00 0.00 178.83 177.63 3dhw n TYR 179 N -4.38 1.04 -0.01 3.99 4.02 0.33 -3.58 117.16 118.58 3dhw n TYR 179 Ca 0.11 -0.51 -0.01 0.00 -0.01 0.00 0.00 57.90 57.49 3dhw n TYR 179 Cb 0.03 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.65 -0.23 0.05 2.72 0.00 0.26 -3.27 105.19 106.38 3dhw n GLY 180 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.10 0.05 -2.85 1.61 -0.00 -1.61 -3.35 116.97 110.72 3dhw h TYR 181 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.73 58.12 3dhw h TYR 181 Cb 0.10 -0.02 -0.41 0.00 -0.00 0.00 0.00 36.73 36.40 3dhw h TYR 181 CO -0.04 0.05 -0.65 0.44 -0.00 0.00 0.00 178.16 177.95 3dhw n ILE 182 N -5.05 1.18 0.00 1.81 -5.35 -1.23 -5.06 119.36 105.66 3dhw n ILE 182 Ca -0.06 -4.64 0.00 0.00 -0.27 0.00 0.00 62.75 57.77 3dhw n ILE 182 Cb 0.04 -2.08 0.00 0.00 -1.74 0.00 0.00 39.64 35.85 3dhw n ILE 182 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dhw n GLY 183 N 1.98 3.21 2.97 3.28 0.00 -1.23 -4.37 105.19 111.02 3dhw n GLY 183 Ca 0.23 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 0.25 -0.30 1.61 2.02 -1.20 -3.75 117.35 113.98 3dhw s TYR 184 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 3dhw s TYR 184 Cb 0.00 -0.18 0.18 0.00 -0.40 0.00 0.00 41.96 41.56 3dhw s TYR 184 CO 0.00 -0.14 1.00 -0.80 -1.57 0.00 0.00 175.55 174.04 3dhw s ASN 185 N -1.16 -0.57 0.00 2.29 0.01 -1.26 -4.97 114.94 109.28 3dhw s ASN 185 Ca -0.12 0.27 0.29 0.00 -0.71 0.00 0.00 52.86 52.59 3dhw s ASN 185 Cb -0.08 1.44 1.21 0.00 0.41 0.00 0.00 41.25 44.23 3dhw s ASN 185 CO -0.01 -0.11 1.87 0.00 -1.51 0.00 0.00 177.10 177.35 3dhw n ALA 186 N 5.39 2.67 -1.00 0.60 0.00 -1.26 -3.55 120.51 123.37 3dhw n ALA 186 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3dhw n ALA 186 Cb 0.54 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3dhw n ALA 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dhw n THR 187 N -1.26 0.00 -0.12 0.00 -1.04 -1.26 -4.42 114.28 106.18 3dhw n THR 187 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 3dhw n THR 187 Cb 0.29 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 68.28 3dhw n THR 187 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 3dhw h VAL 188 N 0.00 1.27 -0.77 12.58 -1.51 -1.97 -2.70 116.25 123.15 3dhw h VAL 188 Ca 0.00 -1.55 -0.03 0.00 -1.23 0.00 0.00 66.70 63.89 3dhw h VAL 188 Cb 0.00 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 30.51 3dhw h VAL 188 CO 0.00 0.52 0.37 -0.03 -1.23 0.00 0.00 177.57 177.21 3dhw h MET 189 N 0.76 1.11 -0.82 5.19 -1.53 -1.88 -0.18 114.93 117.57 3dhw h MET 189 Ca 0.06 -0.16 0.01 0.00 -3.44 0.00 0.00 59.70 56.17 3dhw h MET 189 Cb 0.98 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 31.79 3dhw h MET 189 CO 0.09 0.86 0.54 -0.97 0.14 0.00 0.00 176.91 177.57 3dhw h ASN 190 N 1.08 0.94 0.29 1.39 -0.73 -1.66 -0.80 115.58 116.10 3dhw h ASN 190 Ca 0.26 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.27 3dhw h ASN 190 Cb 0.11 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 3dhw h ASN 190 CO -0.03 0.69 -0.54 0.71 -0.37 0.00 0.00 177.43 177.88 3dhw h THR 191 N 1.11 1.36 -0.85 -3.57 1.35 -1.15 -3.16 112.91 108.00 3dhw h THR 191 Ca 0.30 -1.83 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 3dhw h THR 191 Cb -0.12 1.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 3dhw h THR 191 CO -0.06 0.54 0.42 0.58 -0.25 0.00 0.00 175.52 176.75 3dhw h VAL 192 N 0.21 1.26 0.03 6.82 2.07 0.32 0.32 116.25 127.29 3dhw h VAL 192 Ca 0.00 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3dhw h VAL 192 Cb 1.02 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3dhw h VAL 192 CO 0.09 0.31 -0.02 -0.07 0.02 0.00 0.00 177.57 177.89 3dhw h LEU 193 N 1.21 -0.05 -0.91 2.57 3.38 -1.23 -1.45 115.31 118.83 3dhw h LEU 193 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3dhw h LEU 193 Cb 0.10 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3dhw h LEU 193 CO -0.04 -0.03 0.47 0.58 0.09 0.00 0.00 178.44 179.51 3dhw h VAL 194 N -0.05 1.26 -0.09 1.22 2.07 -1.49 0.38 116.25 119.55 3dhw h VAL 194 Ca -0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3dhw h VAL 194 Cb 0.04 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3dhw h VAL 194 CO -0.00 0.30 0.06 0.25 0.02 0.00 0.00 177.57 178.19 3dhw h LEU 195 N 1.25 0.10 -0.46 2.57 5.85 0.25 -1.52 115.31 123.35 3dhw h LEU 195 Ca 0.31 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 3dhw h LEU 195 Cb 0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dhw h LEU 195 CO -0.05 0.08 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.75 3dhw h LEU 196 N 0.12 1.00 -0.76 2.25 3.38 -0.97 -2.56 115.31 117.76 3dhw h LEU 196 Ca 0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3dhw h LEU 196 Cb -0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3dhw h LEU 196 CO -0.01 1.22 0.48 0.58 0.09 0.00 0.00 178.44 180.80 3dhw h VAL 197 N 0.80 1.21 -0.19 1.22 2.07 -0.14 0.31 116.25 121.52 3dhw h VAL 197 Ca 0.08 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 3dhw h VAL 197 Cb 0.89 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3dhw h VAL 197 CO 0.08 0.21 -0.52 0.16 0.02 0.00 0.00 177.57 177.52 3dhw h ILE 198 N 1.04 1.32 -0.93 4.57 -0.00 -1.36 -3.20 117.51 118.95 3dhw h ILE 198 Ca 0.28 -1.75 0.01 0.00 -0.00 0.00 0.00 64.86 63.39 3dhw h ILE 198 Cb -0.08 1.73 -0.05 0.00 -0.00 0.00 0.00 36.82 38.43 3dhw h ILE 198 CO -0.06 0.55 0.62 0.25 -0.00 0.00 0.00 178.15 179.51 3dhw h LEU 199 N 0.42 1.07 -0.33 0.16 5.85 -0.01 -1.70 115.31 120.78 3dhw h LEU 199 Ca 0.01 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3dhw h LEU 199 Cb 1.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3dhw h LEU 199 CO 0.10 0.78 -0.07 0.58 -0.34 0.00 0.00 178.44 179.49 3dhw h VAL 200 N 1.27 1.28 -1.00 1.05 2.07 -1.22 -2.84 116.25 116.85 3dhw h VAL 200 Ca 0.34 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3dhw h VAL 200 Cb -0.15 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3dhw h VAL 200 CO -0.07 0.36 0.66 1.88 0.02 0.00 0.00 177.57 180.41 3dhw h TYR 201 N 0.42 1.27 -0.78 1.57 0.99 -1.47 -0.20 116.97 118.77 3dhw h TYR 201 Ca 0.09 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 3dhw h TYR 201 Cb 0.56 -0.43 -0.03 0.00 1.00 0.00 0.00 36.73 37.83 3dhw h TYR 201 CO 0.05 0.80 0.33 -0.07 -0.00 0.00 0.00 178.16 179.27 3dhw h LEU 202 N 1.36 1.06 -0.20 3.88 3.38 -1.32 0.37 115.31 123.84 3dhw h LEU 202 Ca 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dhw h LEU 202 Cb -0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 3dhw h LEU 202 CO -0.08 0.93 0.13 0.40 0.09 0.00 0.00 178.44 179.91 3dhw h ILE 203 N 1.12 1.04 -0.88 1.22 1.08 -1.04 -2.59 117.51 117.47 3dhw h ILE 203 Ca 0.26 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 3dhw h ILE 203 Cb 0.19 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 3dhw h ILE 203 CO -0.02 0.05 0.52 -0.61 -0.69 0.00 0.00 178.15 177.39 3dhw h GLN 204 N 0.26 1.20 0.00 2.37 4.15 0.57 -2.27 115.11 121.39 3dhw h GLN 204 Ca 0.07 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3dhw h GLN 204 Cb -0.02 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.42 3dhw h GLN 204 CO -0.02 0.85 -0.01 0.74 -1.93 0.00 0.00 178.83 178.47 3dhw h PHE 205 N 1.22 0.00 -0.78 3.99 -1.00 -0.03 0.36 116.94 120.69 3dhw h PHE 205 Ca 0.31 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.10 3dhw h PHE 205 Cb -0.03 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 3dhw h PHE 205 CO 0.00 0.01 0.52 0.00 -1.61 0.00 0.00 178.31 177.22 3dhw h ALA 206 N 1.99 1.45 -0.93 2.45 0.00 -1.03 -3.37 119.26 119.83 3dhw h ALA 206 Ca -0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 3dhw h ALA 206 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3dhw h ALA 206 CO 0.00 0.51 0.77 0.20 0.00 0.00 0.00 179.25 180.73 3dhw s GLY 207 N -3.34 -0.57 0.00 0.00 0.00 0.13 -5.11 107.32 98.43 3dhw s GLY 207 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3dhw s GLY 207 CO 0.79 4.12 0.00 1.22 0.00 0.00 0.00 173.10 179.22