#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n ARG 2 N 0.00 0.87 -3.06 3.17 1.74 -1.26 -5.05 116.66 113.07 2wwq n ARG 2 Ca 0.00 -2.77 -0.42 0.00 -0.77 0.00 0.00 57.85 53.89 2wwq n ARG 2 Cb 0.00 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 2wwq n ARG 2 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wwq s HIS 3 N -1.00 3.11 -1.46 -1.55 3.76 -1.26 -3.85 115.29 113.04 2wwq s HIS 3 Ca 0.34 0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 55.49 2wwq s HIS 3 Cb 0.26 -3.28 0.03 0.00 1.11 0.00 0.00 32.58 30.71 2wwq s HIS 3 CO -0.11 -0.72 0.77 0.54 -0.85 0.00 0.00 174.74 174.37 2wwq n ARG 4 N 6.23 -5.35 -5.02 1.40 5.12 -1.26 -5.01 116.66 112.77 2wwq n ARG 4 Ca 0.00 0.76 -0.32 0.00 -1.93 0.00 0.00 57.85 56.36 2wwq n ARG 4 Cb 0.48 -5.64 -0.14 0.00 -1.16 0.00 0.00 32.46 26.00 2wwq n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wwq s LYS 5 N -6.05 2.50 0.08 5.56 1.02 -1.25 -5.14 119.74 116.46 2wwq s LYS 5 Ca 0.44 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.68 2wwq s LYS 5 Cb -0.21 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2wwq s LYS 5 CO 0.55 0.54 -0.08 -1.12 -0.92 0.00 0.00 175.35 174.32 2wwq s SER 6 N -0.53 1.11 0.00 2.83 0.01 -1.26 -4.96 113.70 110.89 2wwq s SER 6 Ca 0.07 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2wwq s SER 6 Cb -0.11 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2wwq s SER 6 CO 0.01 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2wwq n GLY 7 N 0.51 1.86 3.87 3.44 0.00 -1.26 -5.11 105.19 108.50 2wwq n GLY 7 Ca -0.16 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2wwq n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwq s ARG 8 N -2.62 3.84 0.13 1.61 1.81 -1.26 -5.01 118.95 117.45 2wwq s ARG 8 Ca 0.00 0.36 -0.16 0.00 -1.72 0.00 0.00 55.73 54.22 2wwq s ARG 8 Cb 0.00 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.90 2wwq s ARG 8 CO 0.00 0.27 1.65 1.96 -0.68 0.00 0.00 175.30 178.50 2wwq h GLN 9 N 2.41 0.62 0.00 3.54 4.20 -1.99 -3.48 115.11 120.42 2wwq h GLN 9 Ca -0.47 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2wwq h GLN 9 Cb 1.17 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wwq h GLN 9 CO 0.68 0.62 0.00 1.28 -0.67 0.00 0.00 178.83 180.74 2wwq n LEU 10 N -4.60 0.00 0.27 1.46 4.77 -1.26 -3.45 117.00 114.19 2wwq n LEU 10 Ca -0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 2wwq n LEU 10 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2wwq n LEU 10 CO 0.38 0.00 0.69 0.78 -1.33 0.00 0.00 177.39 177.91 2wwq h ASN 11 N 1.81 -0.54 -0.69 -1.43 4.21 -2.01 -3.48 115.58 113.45 2wwq h ASN 11 Ca 0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wwq h ASN 11 Cb 0.00 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2wwq h ASN 11 CO 0.00 -0.36 0.00 0.54 -1.29 0.00 0.00 177.43 176.32 2wwq n ARG 12 N -5.35 0.00 -0.76 0.81 5.12 -1.22 -5.16 116.66 110.10 2wwq n ARG 12 Ca -0.12 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.47 2wwq n ARG 12 Cb 0.28 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.71 2wwq n ARG 12 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2wwq n ASN 13 N -0.92 -2.60 0.27 0.55 6.94 -1.26 -4.69 115.26 113.55 2wwq n ASN 13 Ca 0.00 0.03 0.15 0.00 -0.02 0.00 0.00 54.58 54.74 2wwq n ASN 13 Cb 0.00 -0.96 0.70 0.00 -2.36 0.00 0.00 39.78 37.15 2wwq n ASN 13 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2wwq h SER 14 N -1.75 0.00 0.33 0.53 4.64 -1.98 -1.82 113.55 113.51 2wwq h SER 14 Ca -0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.65 2wwq h SER 14 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2wwq h SER 14 CO 0.34 0.08 -0.74 0.28 -0.87 0.00 0.00 176.83 175.92 2wwq h SER 15 N 0.00 0.42 -0.35 4.97 0.02 -2.00 -1.97 113.55 114.63 2wwq h SER 15 Ca -0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 2wwq h SER 15 Cb 0.48 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2wwq h SER 15 CO 0.01 1.02 0.01 -0.74 -1.14 0.00 0.00 176.83 175.99 2wwq h HIS 16 N 0.23 0.74 -0.30 3.45 6.17 -1.68 -3.26 115.15 120.51 2wwq h HIS 16 Ca -0.03 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 60.88 2wwq h HIS 16 Cb 1.32 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 31.03 2wwq h HIS 16 CO 0.04 0.69 -0.12 0.00 0.71 0.00 0.00 177.93 179.25 2wwq h ARG 17 N 0.67 0.62 0.00 5.26 3.08 -1.04 -1.15 114.38 121.82 2wwq h ARG 17 Ca 0.14 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 2wwq h ARG 17 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2wwq h ARG 17 CO 0.01 0.83 -0.33 -0.56 -1.07 0.00 0.00 179.97 178.85 2wwq h GLN 18 N 0.37 0.00 -0.04 0.04 3.07 -1.43 -1.12 115.11 116.01 2wwq h GLN 18 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.56 2wwq h GLN 18 Cb 0.64 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.21 2wwq h GLN 18 CO 0.04 0.33 -0.97 0.00 0.09 0.00 0.00 178.83 178.32 2wwq h ALA 19 N 1.67 0.19 0.00 0.06 0.00 -1.54 -2.92 119.26 116.72 2wwq h ALA 19 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2wwq h ALA 19 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wwq h ALA 19 CO 0.04 0.69 0.00 1.98 0.00 0.00 0.00 179.25 181.97 2wwq h MET 20 N 0.42 0.00 0.00 0.00 1.85 -0.05 -2.09 114.93 115.07 2wwq h MET 20 Ca -0.11 0.00 -0.46 0.00 -0.61 0.00 0.00 59.70 58.52 2wwq h MET 20 Cb 1.62 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 33.58 2wwq h MET 20 CO 0.19 0.00 -2.55 1.19 -0.40 0.00 0.00 176.91 175.34 2wwq n PHE 21 N -2.49 0.00 -0.15 1.39 0.99 -0.58 -3.37 117.46 113.25 2wwq n PHE 21 Ca 0.02 0.00 0.23 0.00 -0.00 0.00 0.00 57.45 57.70 2wwq n PHE 21 Cb 0.24 -1.00 0.65 0.00 -1.00 0.00 0.00 39.48 38.38 2wwq n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2wwq h ARG 22 N -0.88 0.12 0.34 -1.08 2.43 -1.39 -0.68 114.38 113.23 2wwq h ARG 22 Ca -0.69 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.45 2wwq h ARG 22 Cb 1.65 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2wwq h ARG 22 CO -0.39 0.08 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.08 2wwq h ASN 23 N 0.12 -0.39 -0.51 -3.80 2.35 -1.50 -2.93 115.58 108.93 2wwq h ASN 23 Ca 0.39 0.01 0.15 0.00 -0.55 0.00 0.00 56.30 56.30 2wwq h ASN 23 Cb 1.36 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.81 2wwq h ASN 23 CO -0.05 -0.06 0.37 0.24 -1.65 0.00 0.00 177.43 176.28 2wwq h MET 24 N -0.88 0.00 0.63 0.81 2.86 -1.40 -0.33 114.93 116.62 2wwq h MET 24 Ca -0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2wwq h MET 24 Cb 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2wwq h MET 24 CO 0.08 0.00 -0.30 0.00 1.06 0.00 0.00 176.91 177.74 2wwq h ALA 25 N 1.73 -1.09 -0.63 6.32 0.00 -1.25 -2.44 119.26 121.90 2wwq h ALA 25 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wwq h ALA 25 Cb 0.98 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2wwq h ALA 25 CO -0.00 -1.03 0.30 0.78 0.00 0.00 0.00 179.25 179.30 2wwq h GLY 26 N -0.95 0.95 2.00 0.00 0.00 -1.04 -1.00 103.07 103.02 2wwq h GLY 26 Ca -0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2wwq h GLY 26 CO 0.14 0.42 -0.00 1.76 0.00 0.00 0.00 176.54 178.87 2wwq h SER 27 N 0.89 0.00 0.07 0.19 0.02 -1.09 -1.63 113.55 111.99 2wwq h SER 27 Ca 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wwq h SER 27 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2wwq h SER 27 CO -0.03 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 175.88 2wwq h LEU 28 N 0.00 -0.08 0.45 5.07 5.85 -0.67 -2.74 115.31 123.19 2wwq h LEU 28 Ca -0.00 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2wwq h LEU 28 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wwq h LEU 28 CO 0.00 0.58 -0.41 0.58 -0.34 0.00 0.00 178.44 178.85 2wwq h VAL 29 N -0.82 0.00 -0.96 1.05 2.07 -1.31 -0.61 116.25 115.68 2wwq h VAL 29 Ca -0.01 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.79 2wwq h VAL 29 Cb 0.62 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2wwq h VAL 29 CO 0.02 0.00 0.91 0.03 0.02 0.00 0.00 177.57 178.55 2wwq h ARG 30 N -0.85 0.00 0.00 1.57 3.08 -1.37 -3.33 114.38 113.49 2wwq h ARG 30 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wwq h ARG 30 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2wwq h ARG 30 CO -0.03 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.59 2wwq n HIS 31 N -3.65 0.00 0.00 3.04 8.25 -1.03 -5.05 115.22 116.77 2wwq n HIS 31 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2wwq n HIS 31 Cb 1.23 0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.36 2wwq n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wwq n GLU 32 N 0.00 0.00 -4.09 -0.41 2.13 -0.24 -4.92 120.64 113.10 2wwq n GLU 32 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2wwq n GLU 32 Cb 0.25 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.85 2wwq n GLU 32 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2wwq s ILE 33 N 0.00 0.44 -0.07 6.31 -4.36 -1.26 -2.96 121.20 119.30 2wwq s ILE 33 Ca 0.00 -1.55 -0.06 0.00 -0.26 0.00 0.00 60.65 58.78 2wwq s ILE 33 Cb 0.00 -1.17 0.02 0.00 1.25 0.00 0.00 42.46 42.56 2wwq s ILE 33 CO 0.00 -0.74 0.19 -0.63 0.24 0.00 0.00 174.94 174.00 2wwq s ILE 34 N -2.85 -0.00 -0.12 8.37 1.01 -0.34 -4.93 121.20 122.33 2wwq s ILE 34 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2wwq s ILE 34 Cb 0.00 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.21 2wwq s ILE 34 CO -0.04 0.00 -0.19 -0.75 0.00 0.00 0.00 174.94 173.96 2wwq s LYS 35 N 0.17 2.60 0.32 2.79 2.20 -1.26 -2.01 119.74 124.54 2wwq s LYS 35 Ca -0.01 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 2wwq s LYS 35 Cb -0.02 -2.13 0.06 0.00 -1.51 0.00 0.00 37.83 34.22 2wwq s LYS 35 CO -0.00 -0.02 0.85 -0.08 -0.36 0.00 0.00 175.35 175.73 2wwq s THR 36 N 0.87 0.00 0.17 3.43 -1.32 -1.22 -5.04 115.64 112.53 2wwq s THR 36 Ca -0.08 -0.89 -0.32 0.00 -1.21 0.00 0.00 61.69 59.19 2wwq s THR 36 Cb -0.15 -2.76 -0.12 0.00 -1.51 0.00 0.00 72.50 67.96 2wwq s THR 36 CO -0.01 0.00 1.73 0.35 -2.21 0.00 0.00 174.62 174.48 2wwq n THR 37 N -0.56 0.12 -0.28 5.08 -2.24 -1.26 -0.35 114.28 114.78 2wwq n THR 37 Ca -0.07 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 2wwq n THR 37 Cb 0.60 -1.93 0.18 0.00 -2.10 0.00 0.00 70.33 67.07 2wwq n THR 37 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wwq h LEU 38 N 7.17 -0.44 -0.64 3.22 6.46 -1.73 -1.66 115.31 127.70 2wwq h LEU 38 Ca -0.44 0.22 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2wwq h LEU 38 Cb 1.22 0.40 -0.05 0.00 -0.73 0.00 0.00 40.66 41.50 2wwq h LEU 38 CO 0.94 -0.23 0.37 1.55 -0.62 0.00 0.00 178.44 180.45 2wwq h PRO 39 N 0.07 0.68 -0.74 5.25 0.13 -1.92 -3.23 132.00 132.24 2wwq h PRO 39 Ca 0.45 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.55 2wwq h PRO 39 Cb 0.80 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 2wwq h PRO 39 CO -0.75 0.45 0.49 -0.22 -0.23 0.00 0.00 178.00 177.74 2wwq h LYS 40 N 0.70 0.95 0.20 0.86 3.64 -1.69 -2.77 116.57 118.47 2wwq h LYS 40 Ca 0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2wwq h LYS 40 Cb 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2wwq h LYS 40 CO -0.15 0.63 -0.10 0.00 -2.27 0.00 0.00 179.45 177.57 2wwq h ALA 41 N 1.29 -0.27 0.00 5.00 0.00 -1.53 -2.34 119.26 121.40 2wwq h ALA 41 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wwq h ALA 41 Cb -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wwq h ALA 41 CO -0.07 -0.55 0.05 1.63 0.00 0.00 0.00 179.25 180.30 2wwq n LYS 42 N -5.12 0.33 0.00 0.00 5.02 -1.05 -1.03 118.16 116.31 2wwq n LYS 42 Ca -0.09 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2wwq n LYS 42 Cb 0.19 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2wwq n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wwq n GLU 43 N 2.07 0.00 0.26 1.97 4.07 -1.19 -4.79 120.64 123.02 2wwq n GLU 43 Ca 0.02 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.30 2wwq n GLU 43 Cb 0.16 -0.00 0.91 0.00 -0.06 0.00 0.00 31.44 32.45 2wwq n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wwq h LEU 44 N 0.00 0.00 -0.50 4.31 5.85 -1.36 -2.93 115.31 120.68 2wwq h LEU 44 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2wwq h LEU 44 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2wwq h LEU 44 CO 0.00 0.00 0.05 -0.09 -0.34 0.00 0.00 178.44 178.06 2wwq h ARG 45 N 0.00 0.85 -0.15 1.25 2.43 -1.33 -2.74 114.38 114.69 2wwq h ARG 45 Ca 0.05 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2wwq h ARG 45 Cb 0.43 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2wwq h ARG 45 CO -0.00 0.86 -0.08 0.00 -1.51 0.00 0.00 179.97 179.24 2wwq h ARG 46 N 0.72 0.22 0.00 0.20 3.08 -1.79 -3.33 114.38 113.48 2wwq h ARG 46 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2wwq h ARG 46 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2wwq h ARG 46 CO 0.02 0.31 0.00 1.33 -1.07 0.00 0.00 179.97 180.56 2wwq n VAL 47 N -4.33 0.00 -0.06 2.04 0.24 -1.19 -4.61 118.33 110.42 2wwq n VAL 47 Ca -0.01 -0.48 -0.18 0.00 -2.04 0.00 0.00 64.34 61.64 2wwq n VAL 47 Cb 0.22 1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 33.50 2wwq n VAL 47 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2wwq n VAL 48 N -0.09 1.61 -0.34 3.34 3.14 -1.04 -4.07 118.33 120.88 2wwq n VAL 48 Ca 0.00 -0.65 0.33 0.00 -2.96 0.00 0.00 64.34 61.06 2wwq n VAL 48 Cb 0.01 -1.44 0.68 0.00 -1.06 0.00 0.00 33.84 32.03 2wwq n VAL 48 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2wwq h GLU 49 N 0.03 0.11 0.00 1.45 5.08 -1.82 -0.59 114.58 118.84 2wwq h GLU 49 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wwq h GLU 49 Cb 1.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2wwq h GLU 49 CO 0.01 0.07 0.00 -2.30 -1.00 0.00 0.00 179.01 175.79 2wwq n PRO 50 N -4.32 0.16 0.12 2.33 -0.02 -1.26 -0.85 135.00 131.17 2wwq n PRO 50 Ca 0.27 0.40 -0.22 0.00 -2.02 0.00 0.00 63.50 61.93 2wwq n PRO 50 Cb 1.18 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.70 2wwq n PRO 50 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wwq h LEU 51 N 0.00 0.68 -0.35 2.45 3.38 -1.35 -3.28 115.31 116.85 2wwq h LEU 51 Ca 0.00 -0.77 -0.17 0.00 0.09 0.00 0.00 57.88 57.03 2wwq h LEU 51 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2wwq h LEU 51 CO 0.00 1.61 -0.47 0.40 0.09 0.00 0.00 178.44 180.07 2wwq h ILE 52 N 0.12 1.27 -0.67 1.22 2.04 -1.01 -2.67 117.51 117.80 2wwq h ILE 52 Ca -0.23 -1.65 0.11 0.00 1.00 0.00 0.00 64.86 64.08 2wwq h ILE 52 Cb 2.10 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.64 2wwq h ILE 52 CO 0.24 0.55 0.45 0.74 0.00 0.00 0.00 178.15 180.12 2wwq h THR 53 N 0.72 0.89 0.00 -0.27 2.02 -1.14 -2.77 112.91 112.36 2wwq h THR 53 Ca 0.04 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2wwq h THR 53 Cb 1.07 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2wwq h THR 53 CO 0.11 0.09 -0.31 -0.07 0.37 0.00 0.00 175.52 175.70 2wwq h LEU 54 N 0.49 0.00 0.00 2.58 3.38 -1.54 -3.11 115.31 117.11 2wwq h LEU 54 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2wwq h LEU 54 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wwq h LEU 54 CO -0.10 0.31 -1.11 0.00 0.09 0.00 0.00 178.44 177.64 2wwq n ALA 55 N -2.19 4.43 1.09 1.53 0.00 -1.09 -3.67 120.51 120.63 2wwq n ALA 55 Ca 0.02 -0.57 0.12 0.00 0.00 0.00 0.00 53.44 53.02 2wwq n ALA 55 Cb 0.63 -0.75 0.28 0.00 0.00 0.00 0.00 19.45 19.62 2wwq n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wwq n LYS 56 N -1.59 2.07 -5.01 0.00 2.85 -1.05 -3.79 118.16 111.64 2wwq n LYS 56 Ca 0.03 -1.57 -0.32 0.00 -1.05 0.00 0.00 58.31 55.40 2wwq n LYS 56 Cb 0.35 -1.47 -0.14 0.00 -0.65 0.00 0.00 35.03 33.12 2wwq n LYS 56 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2wwq s THR 57 N -1.91 2.62 -0.13 0.58 2.01 -1.24 -4.86 115.64 112.71 2wwq s THR 57 Ca 0.33 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2wwq s THR 57 Cb 0.20 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 2wwq s THR 57 CO 0.31 0.54 1.15 -0.62 -0.69 0.00 0.00 174.62 175.31 2wwq s ASP 58 N -0.81 7.06 -0.12 3.53 2.15 -1.26 -4.91 116.67 122.32 2wwq s ASP 58 Ca 0.11 1.64 -0.30 0.00 0.43 0.00 0.00 52.55 54.43 2wwq s ASP 58 Cb -0.10 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.06 2wwq s ASP 58 CO 0.01 -0.63 0.83 -0.55 -0.17 0.00 0.00 175.17 174.66 2wwq s SER 59 N 1.50 -0.54 -0.12 -0.34 0.15 -1.26 -5.04 113.70 108.06 2wwq s SER 59 Ca 0.52 0.64 -0.02 0.00 0.70 0.00 0.00 55.95 57.79 2wwq s SER 59 Cb -0.21 0.51 -0.25 0.00 -1.71 0.00 0.00 66.02 64.36 2wwq s SER 59 CO 0.16 -0.46 0.37 0.52 1.20 0.00 0.00 173.24 175.03 2wwq n VAL 60 N 0.99 1.72 0.51 4.45 0.31 -1.26 -4.28 118.33 120.78 2wwq n VAL 60 Ca -0.15 -0.68 -0.20 0.00 -0.01 0.00 0.00 64.34 63.29 2wwq n VAL 60 Cb 0.57 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 2wwq n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wwq h ALA 61 N 0.27 -1.29 -0.63 3.52 0.00 -2.00 -3.26 119.26 115.86 2wwq h ALA 61 Ca -0.41 -0.28 -0.47 0.00 0.00 0.00 0.00 54.91 53.75 2wwq h ALA 61 Cb 2.03 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 20.26 2wwq h ALA 61 CO 0.07 -1.23 1.50 -0.80 0.00 0.00 0.00 179.25 178.79 2wwq s ASN 62 N -4.06 5.73 0.00 0.00 -0.87 -1.26 -1.11 114.94 113.38 2wwq s ASN 62 Ca -0.20 -1.93 0.00 0.00 -1.57 0.00 0.00 52.86 49.16 2wwq s ASN 62 Cb 0.02 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2wwq s ASN 62 CO 0.60 -2.33 0.00 -1.14 -2.57 0.00 0.00 177.10 171.66 2wwq n ARG 63 N 8.35 0.00 0.12 -0.60 0.63 -1.25 -4.45 116.66 119.47 2wwq n ARG 63 Ca 0.46 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 57.15 2wwq n ARG 63 Cb 0.46 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.22 2wwq n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwq h ARG 64 N 0.00 0.49 0.00 -0.14 3.08 -1.48 -2.07 114.38 114.26 2wwq h ARG 64 Ca 0.00 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.21 2wwq h ARG 64 Cb 0.00 0.31 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2wwq h ARG 64 CO 0.00 1.40 0.00 1.28 -1.07 0.00 0.00 179.97 181.58 2wwq n LEU 65 N -3.74 0.49 -1.08 3.04 4.32 -0.27 -1.61 117.00 118.16 2wwq n LEU 65 Ca -0.18 0.55 0.10 0.00 -0.02 0.00 0.00 56.01 56.46 2wwq n LEU 65 Cb 1.07 -0.40 0.27 0.00 -1.62 0.00 0.00 43.42 42.74 2wwq n LEU 65 CO 0.58 -0.12 0.73 0.00 -1.22 0.00 0.00 177.39 177.35 2wwq n ALA 66 N -1.67 2.42 0.10 -1.18 0.00 -1.17 -2.72 120.51 116.28 2wwq n ALA 66 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 53.44 52.52 2wwq n ALA 66 Cb 0.39 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.95 2wwq n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wwq n PHE 67 N 1.24 0.13 1.68 0.00 7.35 -0.63 -3.18 117.46 124.05 2wwq n PHE 67 Ca 0.20 -0.23 0.15 0.00 -0.76 0.00 0.00 57.45 56.80 2wwq n PHE 67 Cb 0.51 -0.02 0.70 0.00 0.35 0.00 0.00 39.48 41.03 2wwq n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wwq n ALA 68 N 0.25 2.65 0.00 3.13 0.00 -1.10 -3.91 120.51 121.53 2wwq n ALA 68 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2wwq n ALA 68 Cb 0.26 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2wwq n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wwq n ARG 69 N -0.44 2.50 -4.58 0.00 5.12 -1.24 -5.02 116.66 112.99 2wwq n ARG 69 Ca 0.20 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.86 2wwq n ARG 69 Cb 0.25 -0.90 -0.11 0.00 -1.16 0.00 0.00 32.46 30.54 2wwq n ARG 69 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wwq s THR 70 N -1.72 1.74 0.08 0.55 -4.23 -1.19 -4.92 115.64 105.94 2wwq s THR 70 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2wwq s THR 70 Cb 0.00 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 2wwq s THR 70 CO 0.00 0.00 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.86 2wwq s ARG 71 N -3.76 0.75 0.00 3.99 0.52 -1.26 -4.52 118.95 114.67 2wwq s ARG 71 Ca 0.34 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2wwq s ARG 71 Cb 0.09 -0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.15 2wwq s ARG 71 CO 0.17 0.06 0.00 -3.47 0.02 0.00 0.00 175.30 172.07 2wwq n ASP 72 N 0.72 0.00 -0.04 0.23 -0.08 -1.26 -4.94 116.55 111.17 2wwq n ASP 72 Ca -0.17 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.01 2wwq n ASP 72 Cb 0.57 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.01 2wwq n ASP 72 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2wwq h ASN 73 N 0.00 0.11 -0.83 1.67 -0.73 -1.99 -3.16 115.58 110.64 2wwq h ASN 73 Ca 0.00 0.02 0.20 0.00 1.87 0.00 0.00 56.30 58.39 2wwq h ASN 73 Cb 0.00 -0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 2wwq h ASN 73 CO 0.00 0.09 0.57 -0.33 -0.37 0.00 0.00 177.43 177.39 2wwq h GLU 74 N 0.18 0.26 0.01 6.67 4.39 -1.97 -2.55 114.58 121.57 2wwq h GLU 74 Ca 0.09 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.40 2wwq h GLU 74 Cb 0.04 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.57 2wwq h GLU 74 CO -0.08 0.17 -2.34 0.44 -1.16 0.00 0.00 179.01 176.05 2wwq n ILE 75 N -4.44 1.46 1.26 3.13 -5.35 -1.19 -1.17 119.36 113.06 2wwq n ILE 75 Ca 0.17 -0.75 0.11 0.00 -0.27 0.00 0.00 62.75 62.01 2wwq n ILE 75 Cb 0.72 -0.88 0.61 0.00 -1.74 0.00 0.00 39.64 38.35 2wwq n ILE 75 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2wwq n VAL 76 N -2.98 0.09 -0.11 7.28 0.24 -1.23 -0.20 118.33 121.42 2wwq n VAL 76 Ca -0.36 0.02 -0.20 0.00 -2.04 0.00 0.00 64.34 61.77 2wwq n VAL 76 Cb 1.09 -0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 32.66 2wwq n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwq n ALA 77 N -1.07 1.31 -0.09 2.33 0.00 -0.96 -4.11 120.51 117.92 2wwq n ALA 77 Ca 0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 2wwq n ALA 77 Cb 0.10 -0.17 0.14 0.00 0.00 0.00 0.00 19.45 19.51 2wwq n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wwq h LYS 78 N -0.13 0.76 -7.20 0.00 1.57 -1.10 -3.26 116.57 107.22 2wwq h LYS 78 Ca -0.57 -0.24 -0.49 0.00 -1.87 0.00 0.00 60.65 57.48 2wwq h LYS 78 Cb 1.87 -0.07 0.06 0.00 0.08 0.00 0.00 32.23 34.18 2wwq h LYS 78 CO -0.11 0.83 0.38 -0.51 -0.57 0.00 0.00 179.45 179.48 2wwq s LEU 79 N -9.03 3.51 0.00 2.94 1.43 0.72 -0.69 118.68 117.56 2wwq s LEU 79 Ca -0.09 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2wwq s LEU 79 Cb 0.14 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2wwq s LEU 79 CO 0.82 -1.11 0.00 0.49 0.23 0.00 0.00 176.35 176.77 2wwq n PHE 80 N -1.99 0.00 -0.13 0.29 3.72 -1.25 -4.47 117.46 113.62 2wwq n PHE 80 Ca 0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.28 2wwq n PHE 80 Cb 0.53 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.96 2wwq n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2wwq n ASN 81 N 2.95 1.99 -0.04 4.37 3.02 -1.21 -3.80 115.26 122.53 2wwq n ASN 81 Ca 0.00 -0.03 -0.04 0.00 -0.03 0.00 0.00 54.58 54.48 2wwq n ASN 81 Cb 0.00 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.60 2wwq n ASN 81 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wwq n GLU 82 N -3.48 2.40 -0.03 3.52 4.71 -0.13 -4.52 120.64 123.10 2wwq n GLU 82 Ca -0.48 -0.01 0.07 0.00 -0.01 0.00 0.00 57.16 56.73 2wwq n GLU 82 Cb 0.96 -1.23 0.07 0.00 -1.01 0.00 0.00 31.44 30.23 2wwq n GLU 82 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2wwq n LEU 83 N -2.31 2.27 0.06 -4.62 4.32 0.14 -4.13 117.00 112.72 2wwq n LEU 83 Ca -0.14 -1.14 -0.12 0.00 -0.02 0.00 0.00 56.01 54.59 2wwq n LEU 83 Cb 0.77 -0.04 -0.09 0.00 -1.62 0.00 0.00 43.42 42.44 2wwq n LEU 83 CO 0.19 0.45 0.53 1.23 -1.22 0.00 0.00 177.39 178.57 2wwq h GLY 84 N 2.64 -0.20 2.00 -0.72 0.00 -1.75 -2.87 103.07 102.18 2wwq h GLY 84 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2wwq h GLY 84 CO 0.00 -0.07 -0.46 -2.55 0.00 0.00 0.00 176.54 173.45 2wwq h PRO 85 N -0.69 0.00 -0.56 4.80 0.11 -1.81 0.21 132.00 134.06 2wwq h PRO 85 Ca -0.02 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.25 2wwq h PRO 85 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2wwq h PRO 85 CO 0.03 0.46 0.41 0.00 -0.21 0.00 0.00 178.00 178.70 2wwq h ARG 86 N 0.00 0.00 0.00 1.05 2.47 -1.73 -3.22 114.38 112.95 2wwq h ARG 86 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wwq h ARG 86 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2wwq h ARG 86 CO 0.06 0.00 -0.08 1.19 0.56 0.00 0.00 179.97 181.70 2wwq n PHE 87 N -4.35 0.00 1.07 3.04 3.72 0.09 -4.17 117.46 116.86 2wwq n PHE 87 Ca 0.11 -0.44 0.12 0.00 -0.05 0.00 0.00 57.45 57.19 2wwq n PHE 87 Cb 0.64 -0.06 0.11 0.00 -0.94 0.00 0.00 39.48 39.23 2wwq n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wwq n ALA 88 N -0.55 3.14 0.98 4.37 0.00 0.53 -4.01 120.51 124.97 2wwq n ALA 88 Ca 0.04 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 52.97 2wwq n ALA 88 Cb 0.47 -0.87 0.31 0.00 0.00 0.00 0.00 19.45 19.36 2wwq n ALA 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wwq n SER 89 N 0.26 2.08 -3.59 0.00 7.64 -1.25 -4.87 113.62 113.89 2wwq n SER 89 Ca 0.12 -1.81 -0.05 0.00 1.01 0.00 0.00 58.87 58.14 2wwq n SER 89 Cb 0.48 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.50 2wwq n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwq s ARG 90 N -1.68 0.36 0.04 1.43 1.70 -1.26 -5.14 118.95 114.40 2wwq s ARG 90 Ca 0.33 -0.12 0.03 0.00 -0.47 0.00 0.00 55.73 55.49 2wwq s ARG 90 Cb 0.18 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2wwq s ARG 90 CO 0.26 -0.15 0.02 0.00 -1.08 0.00 0.00 175.30 174.35 2wwq s ALA 91 N -2.40 3.37 0.03 7.88 0.00 -1.26 -4.82 121.76 124.56 2wwq s ALA 91 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wwq s ALA 91 Cb -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2wwq s ALA 91 CO -0.05 0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.81 2wwq n GLY 92 N 0.92 -3.46 1.78 0.00 0.00 -1.26 -5.05 105.19 98.11 2wwq n GLY 92 Ca -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 2wwq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 93 N -0.40 -3.32 0.25 -0.02 0.00 -1.26 -4.98 105.19 95.46 2wwq n GLY 93 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2wwq n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wwq n TYR 94 N 0.26 0.21 -3.72 1.61 4.01 -1.26 -4.91 117.16 113.37 2wwq n TYR 94 Ca -0.04 -0.74 -0.14 0.00 -0.16 0.00 0.00 57.90 56.82 2wwq n TYR 94 Cb 0.06 -0.13 -0.09 0.00 -0.31 0.00 0.00 39.34 38.88 2wwq n TYR 94 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2wwq s THR 95 N -1.98 0.01 0.37 -0.72 -4.23 -1.26 -4.10 115.64 103.73 2wwq s THR 95 Ca 0.22 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2wwq s THR 95 Cb 0.17 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 2wwq s THR 95 CO 0.05 -0.06 0.57 0.00 -0.54 0.00 0.00 174.62 174.63 2wwq s ARG 96 N -0.26 3.37 0.00 3.99 1.70 -0.92 -4.87 118.95 121.97 2wwq s ARG 96 Ca -0.04 -0.40 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 2wwq s ARG 96 Cb -0.03 -2.65 0.00 0.00 -0.57 0.00 0.00 34.95 31.70 2wwq s ARG 96 CO 0.02 0.05 0.00 -0.89 -1.08 0.00 0.00 175.30 173.40 2wwq n ILE 97 N -1.85 0.00 -1.18 4.99 2.08 -1.26 -2.89 119.36 119.25 2wwq n ILE 97 Ca -0.03 0.02 0.15 0.00 0.56 0.00 0.00 62.75 63.45 2wwq n ILE 97 Cb 0.57 -0.72 -0.05 0.00 -0.75 0.00 0.00 39.64 38.69 2wwq n ILE 97 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wwq n LEU 98 N -1.51 -0.61 -4.15 1.39 4.77 -1.26 -4.13 117.00 111.50 2wwq n LEU 98 Ca 0.00 1.37 -0.15 0.00 -0.03 0.00 0.00 56.01 57.20 2wwq n LEU 98 Cb 0.00 -3.75 -0.06 0.00 -2.33 0.00 0.00 43.42 37.28 2wwq n LEU 98 CO 0.00 -2.78 0.01 -0.54 -1.33 0.00 0.00 177.39 172.75 2wwq s LYS 99 N -2.49 1.72 0.00 3.23 3.01 -1.26 -2.75 119.74 121.19 2wwq s LYS 99 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 55.97 53.20 2wwq s LYS 99 Cb 0.00 0.39 0.00 0.00 -1.01 0.00 0.00 37.83 37.21 2wwq s LYS 99 CO 0.00 -0.67 0.00 0.00 0.51 0.00 0.00 175.35 175.19 2wwq n GLY 101 N 0.00 -1.48 3.78 0.00 0.00 -1.04 -4.82 105.19 101.63 2wwq n GLY 101 Ca 0.00 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2wwq n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wwq s PHE 102 N 0.00 2.69 0.27 1.61 0.08 -1.26 -1.37 117.98 120.00 2wwq s PHE 102 Ca 0.00 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.65 2wwq s PHE 102 Cb 0.00 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 2wwq s PHE 102 CO 0.00 -1.65 0.27 0.50 -0.10 0.00 0.00 175.22 174.24 2wwq s ARG 103 N -4.74 3.01 0.00 0.44 3.52 -1.05 -4.85 118.95 115.28 2wwq s ARG 103 Ca 0.62 -1.03 0.19 0.00 -0.13 0.00 0.00 55.73 55.38 2wwq s ARG 103 Cb -0.17 -2.64 0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2wwq s ARG 103 CO 0.52 0.32 1.01 0.00 -0.81 0.00 0.00 175.30 176.35 2wwq n ALA 104 N -1.30 3.09 -0.10 6.12 0.00 -1.26 -3.81 120.51 123.25 2wwq n ALA 104 Ca -0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 2wwq n ALA 104 Cb 0.58 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 2wwq n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wwq h GLY 105 N 4.03 0.00 -2.62 0.00 0.00 -1.99 -3.47 103.07 99.02 2wwq h GLY 105 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2wwq h GLY 105 CO 0.00 0.00 -0.61 0.51 0.00 0.00 0.00 176.54 176.44 2wwq s ASP 106 N -6.80 0.16 -0.50 0.19 1.47 -1.26 -5.09 116.67 104.84 2wwq s ASP 106 Ca -0.28 -1.35 -0.28 0.00 1.18 0.00 0.00 52.55 51.83 2wwq s ASP 106 Cb 0.05 0.38 -0.00 0.00 -0.34 0.00 0.00 42.92 43.01 2wwq s ASP 106 CO 0.59 -0.83 1.62 0.20 0.68 0.00 0.00 175.17 177.42 2wwq s ASN 107 N -3.14 5.88 -0.11 2.11 0.01 -1.25 -3.89 114.94 114.55 2wwq s ASN 107 Ca 0.36 0.59 -0.04 0.00 -0.71 0.00 0.00 52.86 53.07 2wwq s ASN 107 Cb 0.07 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.25 2wwq s ASN 107 CO 0.10 -1.85 0.13 0.00 -1.51 0.00 0.00 177.10 173.98 2wwq s ALA 108 N 6.94 0.02 0.18 0.60 0.00 -1.26 -4.87 121.76 123.38 2wwq s ALA 108 Ca 0.63 0.26 -0.33 0.00 0.00 0.00 0.00 51.96 52.52 2wwq s ALA 108 Cb -0.14 -0.90 -0.14 0.00 0.00 0.00 0.00 23.12 21.94 2wwq s ALA 108 CO 0.27 -0.77 1.53 -2.30 0.00 0.00 0.00 175.76 174.48 2wwq n PRO 109 N 5.31 2.11 -4.14 0.00 -0.02 -1.26 -2.53 135.00 134.46 2wwq n PRO 109 Ca -0.05 0.76 -0.27 0.00 -2.02 0.00 0.00 63.50 61.92 2wwq n PRO 109 Cb 0.50 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 2wwq n PRO 109 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2wwq s MET 110 N 0.54 2.62 0.00 -0.52 -1.94 -0.47 -2.72 119.30 116.80 2wwq s MET 110 Ca 0.76 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2wwq s MET 110 Cb -0.67 -2.50 0.00 0.00 2.01 0.00 0.00 34.83 33.67 2wwq s MET 110 CO 0.41 0.48 0.00 0.00 -0.01 0.00 0.00 175.02 175.90 2wwq n ALA 111 N -0.08 0.00 -2.53 3.03 0.00 0.52 -2.50 120.51 118.96 2wwq n ALA 111 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 2wwq n ALA 111 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 2wwq n ALA 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wwq s TYR 112 N 1.80 0.29 -0.12 0.00 1.51 -1.11 -3.38 117.35 116.34 2wwq s TYR 112 Ca 0.00 -0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 55.32 2wwq s TYR 112 Cb 0.00 -0.20 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 2wwq s TYR 112 CO 0.00 -0.39 0.27 -1.50 -1.11 0.00 0.00 175.55 172.82 2wwq s ILE 113 N -3.12 -0.07 -0.08 2.71 2.07 -0.85 -4.51 121.20 117.35 2wwq s ILE 113 Ca -0.01 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.08 2wwq s ILE 113 Cb 0.02 -0.42 0.09 0.00 0.13 0.00 0.00 42.46 42.28 2wwq s ILE 113 CO -0.07 0.06 0.79 -1.83 -1.91 0.00 0.00 174.94 171.99 2wwq s GLU 114 N 1.38 0.90 0.43 3.50 -1.05 -1.14 -1.20 118.70 121.51 2wwq s GLU 114 Ca -0.08 0.18 -0.25 0.00 -0.15 0.00 0.00 54.97 54.66 2wwq s GLU 114 Cb -0.10 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 2wwq s GLU 114 CO -0.09 -0.29 1.34 -0.51 0.95 0.00 0.00 175.26 176.66 2wwq s LEU 115 N -1.24 4.16 -0.02 1.83 1.43 -1.15 -2.16 118.68 121.52 2wwq s LEU 115 Ca -0.07 2.73 0.21 0.00 -1.03 0.00 0.00 54.13 55.97 2wwq s LEU 115 Cb -0.00 -3.95 -0.29 0.00 0.03 0.00 0.00 46.19 41.98 2wwq s LEU 115 CO 0.06 -0.99 0.60 0.55 0.23 0.00 0.00 176.35 176.79 2wwq n VAL 116 N -0.06 0.00 1.00 -1.59 3.14 -1.26 -4.32 118.33 115.24 2wwq n VAL 116 Ca 0.05 -0.33 0.12 0.00 -2.96 0.00 0.00 64.34 61.22 2wwq n VAL 116 Cb 0.43 0.35 0.26 0.00 -1.06 0.00 0.00 33.84 33.82 2wwq n VAL 116 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wwq n ASP 117 N -1.98 0.48 -3.74 6.55 8.00 -1.26 -4.53 116.55 120.08 2wwq n ASP 117 Ca -0.01 -0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.12 2wwq n ASP 117 Cb 0.47 0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 41.65 2wwq n ASP 117 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wwq s ARG 118 N -3.00 0.09 0.00 -1.24 6.06 -1.26 -4.91 118.95 114.69 2wwq s ARG 118 Ca 0.11 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.74 2wwq s ARG 118 Cb 0.18 -0.19 0.00 0.00 0.06 0.00 0.00 34.95 35.00 2wwq s ARG 118 CO 0.69 -0.18 0.00 -1.13 -2.50 0.00 0.00 175.30 172.18 2wwq n SER 119 N 4.33 0.00 -0.38 -2.12 3.41 -1.26 -4.58 113.62 113.02 2wwq n SER 119 Ca -0.24 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.51 2wwq n SER 119 Cb 0.51 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.08 2wwq n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26