#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwv h PRO 2 N 0.00 0.00 0.00 1.43 0.11 -1.99 -1.97 132.00 129.57 1qwv h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qwv h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1qwv h PRO 2 CO 0.00 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 178.61 1qwv h GLU 3 N 0.00 -0.14 0.00 1.05 3.07 -1.92 0.29 114.58 116.94 1qwv h GLU 3 Ca 0.01 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qwv h GLU 3 Cb 0.11 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1qwv h GLU 3 CO -0.00 -0.09 0.00 0.82 -1.40 0.00 0.00 179.01 178.34 1qwv h ILE 4 N -0.14 0.00 -0.30 3.13 1.08 -1.65 -3.12 117.51 116.50 1qwv h ILE 4 Ca 0.00 -0.51 -0.09 0.00 -0.39 0.00 0.00 64.86 63.88 1qwv h ILE 4 Cb 0.15 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1qwv h ILE 4 CO -0.07 0.00 -0.15 -0.03 -0.69 0.00 0.00 178.15 177.20 1qwv h MET 5 N 0.00 0.64 -5.92 2.37 4.05 -0.99 -3.34 114.93 111.74 1qwv h MET 5 Ca 0.00 -0.28 -0.64 0.00 -0.28 0.00 0.00 59.70 58.50 1qwv h MET 5 Cb 0.66 -0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 31.34 1qwv h MET 5 CO 0.00 0.87 1.76 0.21 0.23 0.00 0.00 176.91 179.98 1qwv s LYS 6 N -4.60 3.77 0.10 0.39 2.47 1.00 -4.96 119.74 117.92 1qwv s LYS 6 Ca -0.13 -1.56 -0.31 0.00 -1.56 0.00 0.00 55.97 52.41 1qwv s LYS 6 Cb 0.09 -5.41 -0.09 0.00 -1.46 0.00 0.00 37.83 30.96 1qwv s LYS 6 CO 0.80 -2.20 1.73 0.54 0.16 0.00 0.00 175.35 176.39 1qwv s ASN 7 N 4.54 6.51 0.48 1.43 2.20 -1.26 -4.87 114.94 123.97 1qwv s ASN 7 Ca 0.49 2.63 0.15 0.00 -0.94 0.00 0.00 52.86 55.18 1qwv s ASN 7 Cb 0.01 -2.57 1.11 0.00 -2.00 0.00 0.00 41.25 37.81 1qwv s ASN 7 CO -0.02 -0.94 2.07 0.17 -2.94 0.00 0.00 177.10 175.43 1qwv h LEU 8 N 8.44 0.02 -0.77 3.54 -0.00 -1.90 -2.01 115.31 122.63 1qwv h LEU 8 Ca -0.44 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.42 1qwv h LEU 8 Cb 1.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 1qwv h LEU 8 CO 0.94 0.11 0.42 0.28 -0.00 0.00 0.00 178.44 180.19 1qwv h SER 9 N 0.03 0.97 1.71 0.17 0.02 -1.90 -0.58 113.55 113.96 1qwv h SER 9 Ca 0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1qwv h SER 9 Cb 0.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qwv h SER 9 CO 0.01 0.79 0.00 0.78 -1.14 0.00 0.00 176.83 177.27 1qwv h ASN 10 N 1.07 0.00 0.15 3.07 4.21 -1.78 -1.37 115.58 120.93 1qwv h ASN 10 Ca 0.27 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.77 1qwv h ASN 10 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1qwv h ASN 10 CO -0.04 0.00 -0.07 0.78 -1.29 0.00 0.00 177.43 176.80 1qwv h ASN 11 N 0.00 -0.17 0.00 5.81 2.35 -0.50 -3.35 115.58 119.71 1qwv h ASN 11 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1qwv h ASN 11 Cb 0.85 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1qwv h ASN 11 CO 0.00 0.17 0.00 0.49 -1.65 0.00 0.00 177.43 176.44 1qwv n PHE 12 N -5.03 0.00 -3.19 1.19 3.72 -0.36 -4.87 117.46 108.92 1qwv n PHE 12 Ca -0.09 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.10 1qwv n PHE 12 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1qwv n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qwv n GLY 13 N -0.32 -0.49 0.35 1.37 0.00 -0.52 -4.88 105.19 100.70 1qwv n GLY 13 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1qwv n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qwv h LYS 14 N -0.93 -0.83 -2.52 1.61 3.64 -1.89 -3.42 116.57 112.23 1qwv h LYS 14 Ca -0.43 0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 58.66 1qwv h LYS 14 Cb 1.29 0.19 -0.36 0.00 -0.41 0.00 0.00 32.23 32.94 1qwv h LYS 14 CO 0.51 -0.55 -0.65 0.00 -2.27 0.00 0.00 179.45 176.49 1qwv s ALA 15 N -6.06 -0.17 0.27 5.00 0.00 -1.26 -5.01 121.76 114.53 1qwv s ALA 15 Ca -0.17 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1qwv s ALA 15 Cb 0.04 -1.39 0.37 0.00 0.00 0.00 0.00 23.12 22.14 1qwv s ALA 15 CO 0.62 -1.34 1.64 0.52 0.00 0.00 0.00 175.76 177.21 1qwv h MET 16 N 8.32 0.23 0.00 0.00 2.86 -2.01 -3.01 114.93 121.32 1qwv h MET 16 Ca -0.17 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1qwv h MET 16 Cb 1.13 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1qwv h MET 16 CO 0.31 0.67 -0.07 0.22 1.06 0.00 0.00 176.91 179.11 1qwv h ASP 17 N 0.19 0.00 1.04 1.22 3.58 -1.99 -1.82 116.42 118.64 1qwv h ASP 17 Ca 0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.29 1qwv h ASP 17 Cb 0.93 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1qwv h ASP 17 CO 0.08 0.07 -1.01 0.06 -2.88 0.00 0.00 179.24 175.55 1qwv h GLN 18 N 0.00 0.00 -0.02 0.28 3.07 -1.96 -2.31 115.11 114.18 1qwv h GLN 18 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 1qwv h GLN 18 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1qwv h GLN 18 CO 0.01 0.56 -0.90 0.00 0.09 0.00 0.00 178.83 178.59 1qwv h LYS 20 N 0.24 0.21 -0.01 0.00 3.11 -1.26 -0.26 116.57 118.60 1qwv h LYS 20 Ca -0.07 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.58 1qwv h LYS 20 Cb 1.53 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 32.73 1qwv h LYS 20 CO 0.16 0.26 -0.61 0.22 -2.81 0.00 0.00 179.45 176.67 1qwv h ASP 21 N 0.11 0.54 -0.66 4.20 3.58 -1.50 0.14 116.42 122.84 1qwv h ASP 21 Ca 0.05 -0.75 -0.04 0.00 0.42 0.00 0.00 57.03 56.71 1qwv h ASP 21 Cb 0.12 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1qwv h ASP 21 CO -0.01 1.23 0.26 -0.08 -2.88 0.00 0.00 179.24 177.76 1qwv h GLU 22 N -0.09 0.98 0.00 0.28 4.57 -1.44 -1.61 114.58 117.27 1qwv h GLU 22 Ca -0.07 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1qwv h GLU 22 Cb 1.31 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1qwv h GLU 22 CO 0.12 0.83 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.44 1qwv h LEU 23 N 0.93 0.00 -1.67 1.64 -0.00 -1.12 -3.48 115.31 111.61 1qwv h LEU 23 Ca 0.22 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.78 1qwv h LEU 23 Cb 0.21 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.04 1qwv h LEU 23 CO -0.02 0.27 -0.74 -1.20 -0.00 0.00 0.00 178.44 176.76 1qwv n SER 24 N -3.18 -2.05 -4.73 -0.43 7.64 0.35 -4.93 113.62 106.29 1qwv n SER 24 Ca 0.03 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.89 1qwv n SER 24 Cb 0.62 -4.94 -0.03 0.00 -1.01 0.00 0.00 64.21 58.86 1qwv n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwv s LEU 25 N -6.18 4.37 0.59 -3.43 2.01 -0.43 -5.00 118.68 110.61 1qwv s LEU 25 Ca 0.00 2.82 -0.16 0.00 0.01 0.00 0.00 54.13 56.80 1qwv s LEU 25 Cb -0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 46.19 42.56 1qwv s LEU 25 CO 0.70 -0.92 1.06 -2.84 1.01 0.00 0.00 176.35 175.36 1qwv s PRO 26 N 0.82 3.30 0.46 1.29 0.02 -1.26 -4.89 135.00 134.74 1qwv s PRO 26 Ca 0.71 1.25 0.21 0.00 0.02 0.00 0.00 61.00 63.19 1qwv s PRO 26 Cb -0.48 -2.03 1.13 0.00 0.02 0.00 0.00 34.50 33.14 1qwv s PRO 26 CO 0.35 -0.83 1.97 0.38 -0.33 0.00 0.00 177.00 178.54 1qwv h ASP 27 N 0.50 0.00 -0.74 2.53 2.03 -1.99 -1.03 116.42 117.72 1qwv h ASP 27 Ca -0.47 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.78 1qwv h ASP 27 Cb 1.22 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.69 1qwv h ASP 27 CO 0.57 0.21 0.29 0.28 -1.03 0.00 0.00 179.24 179.56 1qwv h SER 28 N 0.00 1.04 0.05 4.15 0.02 -2.00 -2.48 113.55 114.33 1qwv h SER 28 Ca -0.00 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 1qwv h SER 28 Cb 0.46 -0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.75 1qwv h SER 28 CO 0.03 0.93 -0.74 0.58 -1.14 0.00 0.00 176.83 176.49 1qwv h VAL 29 N 1.08 1.43 -0.84 2.27 2.07 -1.62 -2.62 116.25 118.02 1qwv h VAL 29 Ca 0.25 -2.25 0.10 0.00 0.82 0.00 0.00 66.70 65.61 1qwv h VAL 29 Cb 0.23 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 1qwv h VAL 29 CO -0.02 0.65 0.55 -0.37 0.02 0.00 0.00 177.57 178.40 1qwv h VAL 30 N -0.13 0.95 0.14 2.57 -1.51 -1.24 0.52 116.25 117.56 1qwv h VAL 30 Ca -0.11 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 1qwv h VAL 30 Cb 1.48 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1qwv h VAL 30 CO 0.14 0.14 -0.07 0.00 -1.23 0.00 0.00 177.57 176.56 1qwv h ALA 31 N 1.58 -0.19 -0.51 5.19 0.00 -1.42 -1.46 119.26 122.44 1qwv h ALA 31 Ca 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1qwv h ALA 31 Cb 0.44 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1qwv h ALA 31 CO -0.16 -0.48 0.05 -0.44 0.00 0.00 0.00 179.25 178.23 1qwv h ASP 32 N -0.45 0.77 -0.66 0.00 5.19 -1.01 -2.93 116.42 117.33 1qwv h ASP 32 Ca -0.02 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1qwv h ASP 32 Cb 0.36 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1qwv h ASP 32 CO 0.03 0.81 0.44 0.25 -3.12 0.00 0.00 179.24 177.65 1qwv h LEU 33 N 0.77 0.76 0.00 1.55 6.46 0.14 -2.36 115.31 122.63 1qwv h LEU 33 Ca 0.16 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1qwv h LEU 33 Cb 0.39 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1qwv h LEU 33 CO 0.01 0.55 0.00 -1.22 -0.62 0.00 0.00 178.44 177.16 1qwv n TYR 34 N -4.63 0.00 -2.02 1.25 4.01 -0.56 -4.88 117.16 110.33 1qwv n TYR 34 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 1qwv n TYR 34 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1qwv n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1qwv s ASN 35 N -1.18 6.67 0.00 7.72 4.22 -0.89 -4.89 114.94 126.60 1qwv s ASN 35 Ca 0.01 2.55 0.25 0.00 -2.14 0.00 0.00 52.86 53.54 1qwv s ASN 35 Cb 0.01 -2.60 0.55 0.00 1.28 0.00 0.00 41.25 40.48 1qwv s ASN 35 CO 0.01 -0.74 1.43 0.49 -2.04 0.00 0.00 177.10 176.26 1qwv n PHE 36 N 3.46 0.00 -3.00 1.54 3.72 -1.26 -4.78 117.46 117.14 1qwv n PHE 36 Ca 0.11 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.07 1qwv n PHE 36 Cb 0.40 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1qwv n PHE 36 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1qwv s TRP 37 N -2.77 2.88 -1.28 1.38 0.51 -1.26 -4.95 118.94 113.44 1qwv s TRP 37 Ca 0.17 -0.57 -0.07 0.00 -2.12 0.00 0.00 56.10 53.51 1qwv s TRP 37 Cb 0.18 -3.99 0.16 0.00 -0.81 0.00 0.00 33.47 29.01 1qwv s TRP 37 CO 0.63 -1.35 2.08 1.63 -0.51 0.00 0.00 176.95 179.43 1qwv n LYS 38 N 6.91 4.13 0.00 4.98 5.02 -1.26 -4.82 118.16 133.12 1qwv n LYS 38 Ca -0.05 -3.57 0.00 0.00 -2.02 0.00 0.00 58.31 52.67 1qwv n LYS 38 Cb 0.45 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1qwv n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1qwv n ASP 39 N 2.71 0.04 -3.23 4.39 8.00 -1.26 -4.79 116.55 122.40 1qwv n ASP 39 Ca 0.49 -0.28 -0.08 0.00 0.71 0.00 0.00 54.79 55.63 1qwv n ASP 39 Cb 0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1qwv n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qwv n ASP 40 N -0.26 -7.03 -4.57 -2.24 -0.08 -1.26 -5.03 116.55 96.09 1qwv n ASP 40 Ca 0.00 -0.22 -0.25 0.00 -1.51 0.00 0.00 54.79 52.81 1qwv n ASP 40 Cb 0.01 -4.31 -0.09 0.00 2.34 0.00 0.00 41.12 39.07 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1qwv s TYR 41 N -2.89 2.57 -0.33 -0.67 -0.85 -1.26 -5.09 117.35 108.83 1qwv s TYR 41 Ca 0.04 -0.25 -0.24 0.00 -0.52 0.00 0.00 57.07 56.10 1qwv s TYR 41 Cb -0.01 -1.20 0.01 0.00 0.38 0.00 0.00 41.96 41.14 1qwv s TYR 41 CO 0.79 0.58 0.82 0.08 -1.52 0.00 0.00 175.55 176.30 1qwv s VAL 42 N -2.03 4.74 -0.53 -3.49 1.01 -1.26 -4.99 120.40 113.84 1qwv s VAL 42 Ca 0.27 1.14 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 1qwv s VAL 42 Cb -0.07 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1qwv s VAL 42 CO 0.16 -0.34 1.72 -0.32 0.00 0.00 0.00 175.10 176.32 1qwv s MET 43 N 3.08 2.98 0.00 2.72 1.75 -1.26 -4.82 119.30 123.76 1qwv s MET 43 Ca 0.33 0.75 0.21 0.00 -1.25 0.00 0.00 55.69 55.74 1qwv s MET 43 Cb -0.14 -4.27 -0.19 0.00 2.84 0.00 0.00 34.83 33.08 1qwv s MET 43 CO 0.14 -2.30 0.93 0.25 -0.65 0.00 0.00 175.02 173.39 1qwv n THR 44 N 7.15 0.00 -3.22 10.11 -2.24 -1.26 -4.88 114.28 119.94 1qwv n THR 44 Ca 0.19 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.53 1qwv n THR 44 Cb 0.50 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 1qwv n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qwv s ASP 45 N -2.91 6.72 0.44 3.42 -1.08 -1.26 -4.95 116.67 117.04 1qwv s ASP 45 Ca 0.10 0.86 0.25 0.00 -0.52 0.00 0.00 52.55 53.23 1qwv s ASP 45 Cb 0.16 -2.32 0.53 0.00 -1.46 0.00 0.00 42.92 39.83 1qwv s ASP 45 CO 0.82 -0.10 1.68 0.03 0.52 0.00 0.00 175.17 178.11 1qwv h ARG 46 N 7.00 0.00 0.00 4.34 -0.00 -1.94 -2.53 114.38 121.25 1qwv h ARG 46 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 1qwv h ARG 46 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1qwv h ARG 46 CO 0.76 0.00 0.00 -0.07 0.00 0.00 0.00 179.97 180.66 1qwv h LEU 47 N 0.00 0.00 0.00 3.04 -0.00 -1.97 -2.47 115.31 113.90 1qwv h LEU 47 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1qwv h LEU 47 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1qwv h LEU 47 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.44 178.14 1qwv h ALA 48 N 2.05 0.01 -0.97 1.53 0.00 -1.81 -2.29 119.26 117.78 1qwv h ALA 48 Ca 0.00 -0.32 0.24 0.00 0.00 0.00 0.00 54.91 54.83 1qwv h ALA 48 Cb 0.76 0.28 -0.18 0.00 0.00 0.00 0.00 17.79 18.65 1qwv h ALA 48 CO 0.00 0.27 -0.07 0.41 0.00 0.00 0.00 179.25 179.87 1qwv n GLY 49 N 1.68 -1.42 0.17 0.00 0.00 -1.17 -0.65 105.19 103.80 1qwv n GLY 49 Ca -0.05 0.98 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv n ALA 51 N -2.34 2.16 -0.12 0.00 0.00 -0.33 -2.30 120.51 117.58 1qwv n ALA 51 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1qwv n ALA 51 Cb 0.22 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 18.68 1qwv n ALA 51 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1qwv h ILE 52 N 0.00 1.13 -2.05 0.00 1.08 -0.61 -3.34 117.51 113.73 1qwv h ILE 52 Ca 0.00 -0.27 -0.47 0.00 -0.39 0.00 0.00 64.86 63.73 1qwv h ILE 52 Cb 0.10 0.28 -0.33 0.00 -3.07 0.00 0.00 36.82 33.81 1qwv h ILE 52 CO 0.00 0.14 -0.82 0.21 -0.69 0.00 0.00 178.15 176.99 1qwv s ASN 53 N -6.49 0.95 -0.15 1.72 3.84 -0.97 -4.72 114.94 109.12 1qwv s ASN 53 Ca -0.10 -2.48 -0.04 0.00 0.21 0.00 0.00 52.86 50.45 1qwv s ASN 53 Cb 0.18 0.19 -0.08 0.00 -0.55 0.00 0.00 41.25 40.99 1qwv s ASN 53 CO 0.76 -0.17 -0.17 0.00 -2.79 0.00 0.00 177.10 174.72 1qwv h LEU 55 N -0.31 0.61 0.00 0.00 6.46 -1.92 -1.41 115.31 118.75 1qwv h LEU 55 Ca -0.37 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 1qwv h LEU 55 Cb 1.42 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1qwv h LEU 55 CO -0.16 0.65 -0.07 0.00 -0.62 0.00 0.00 178.44 178.25 1qwv h ALA 56 N 0.98 0.96 0.05 1.25 0.00 -1.91 -1.99 119.26 118.59 1qwv h ALA 56 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1qwv h ALA 56 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1qwv h ALA 56 CO -0.00 0.00 -1.16 1.15 0.00 0.00 0.00 179.25 179.24 1qwv h THR 57 N 0.00 1.56 0.00 0.00 2.02 -1.67 -3.15 112.91 111.67 1qwv h THR 57 Ca 0.00 -3.23 0.00 0.00 0.77 0.00 0.00 66.41 63.95 1qwv h THR 57 Cb 0.78 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1qwv h THR 57 CO 0.00 0.91 -0.17 0.11 0.37 0.00 0.00 175.52 176.74 1qwv h LYS 58 N 0.03 0.00 0.19 6.66 1.79 -0.94 -3.32 116.57 120.98 1qwv h LYS 58 Ca -0.08 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1qwv h LYS 58 Cb 1.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1qwv h LYS 58 CO 0.15 0.00 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.36 1qwv h LEU 59 N 0.00 -0.22 -6.79 2.94 3.38 -1.39 -3.49 115.31 109.75 1qwv h LEU 59 Ca 0.00 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.19 1qwv h LEU 59 Cb 0.84 0.06 -0.31 0.00 0.09 0.00 0.00 40.66 41.33 1qwv h LEU 59 CO 0.00 -0.11 0.68 -0.62 0.09 0.00 0.00 178.44 178.48 1qwv s ASP 60 N -2.95 -0.09 -0.04 -0.43 -1.08 -1.19 -5.06 116.67 105.82 1qwv s ASP 60 Ca -0.04 0.15 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 1qwv s ASP 60 Cb 0.00 1.06 0.04 0.00 -1.46 0.00 0.00 42.92 42.57 1qwv s ASP 60 CO 0.11 -0.02 0.52 0.55 0.52 0.00 0.00 175.17 176.86 1qwv n VAL 61 N 3.46 0.00 -3.69 1.11 3.14 -1.26 -4.81 118.33 116.28 1qwv n VAL 61 Ca -0.15 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 60.75 1qwv n VAL 61 Cb 0.56 0.33 -0.11 0.00 -1.06 0.00 0.00 33.84 33.56 1qwv n VAL 61 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1qwv s VAL 62 N 0.01 4.86 -0.03 1.55 -7.23 -1.26 -4.09 120.40 114.21 1qwv s VAL 62 Ca 0.01 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.00 1qwv s VAL 62 Cb 0.05 -3.29 -0.13 0.00 0.56 0.00 0.00 36.38 33.57 1qwv s VAL 62 CO -0.01 0.31 0.85 -0.78 -0.31 0.00 0.00 175.10 175.15 1qwv h ASP 63 N 8.15 -0.34 0.00 4.85 1.82 -1.87 -3.48 116.42 125.55 1qwv h ASP 63 Ca -0.37 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1qwv h ASP 63 Cb 1.18 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1qwv h ASP 63 CO 0.58 0.13 0.00 -0.81 -1.61 0.00 0.00 179.24 177.53 1qwv n PRO 64 N -5.06 3.09 0.00 0.28 -0.05 -1.26 -4.93 135.00 127.07 1qwv n PRO 64 Ca -0.08 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.43 1qwv n PRO 64 Cb 0.25 0.00 0.33 0.00 -0.05 0.00 0.00 33.50 34.03 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 8.00 -1.26 -4.84 116.55 121.99 1qwv n ASP 65 Ca 0.00 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1qwv n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwv n GLY 66 N 0.38 1.67 3.76 0.44 0.00 -1.26 -5.11 105.19 105.08 1qwv n GLY 66 Ca 0.08 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1qwv n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwv s ASN 67 N -2.18 4.79 -0.91 1.61 4.22 -1.26 -3.93 114.94 117.27 1qwv s ASN 67 Ca 0.00 1.97 0.00 0.00 -2.14 0.00 0.00 52.86 52.69 1qwv s ASN 67 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 1qwv s ASN 67 CO 0.00 -1.85 0.00 0.18 -2.04 0.00 0.00 177.10 173.39 1qwv n LEU 68 N -2.86 -1.42 -3.60 3.54 7.99 -1.26 -4.56 117.00 114.82 1qwv n LEU 68 Ca 0.10 0.01 -0.41 0.00 -0.01 0.00 0.00 56.01 55.71 1qwv n LEU 68 Cb 0.52 -1.72 -0.02 0.00 -0.11 0.00 0.00 43.42 42.10 1qwv n LEU 68 CO 0.50 -0.14 2.72 0.00 -1.51 0.00 0.00 177.39 178.96 1qwv n HIS 69 N -3.91 2.96 -0.03 -1.77 1.44 -1.25 -4.51 115.22 108.14 1qwv n HIS 69 Ca -0.12 -2.77 -0.21 0.00 -2.01 0.00 0.00 57.72 52.61 1qwv n HIS 69 Cb 0.57 -2.37 -0.13 0.00 0.12 0.00 0.00 29.99 28.18 1qwv n HIS 69 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 1qwv h HIS 70 N 6.12 0.28 0.54 -1.40 2.07 -1.91 -3.29 115.15 117.56 1qwv h HIS 70 Ca 0.60 -0.21 -0.03 0.00 -2.85 0.00 0.00 60.37 57.89 1qwv h HIS 70 Cb 0.55 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.52 1qwv h HIS 70 CO 1.53 1.49 -0.26 0.78 -3.07 0.00 0.00 177.93 178.40 1qwv h GLY 71 N -0.25 -0.76 1.99 6.13 0.00 -1.94 -2.26 103.07 105.97 1qwv h GLY 71 Ca -0.29 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qwv h GLY 71 CO -0.01 -0.28 0.00 -0.57 0.00 0.00 0.00 176.54 175.68 1qwv h ASN 72 N -0.73 0.00 0.04 0.19 -0.73 -1.82 -0.52 115.58 112.01 1qwv h ASN 72 Ca -0.07 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.97 1qwv h ASN 72 Cb 0.56 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1qwv h ASN 72 CO 0.12 0.00 -0.43 0.00 -0.37 0.00 0.00 177.43 176.76 1qwv h ALA 73 N 2.00 0.90 0.12 1.57 0.00 -1.50 0.38 119.26 122.72 1qwv h ALA 73 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 1qwv h ALA 73 Cb 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qwv h ALA 73 CO -0.00 0.64 -1.23 0.87 0.00 0.00 0.00 179.25 179.53 1qwv h LYS 74 N 0.39 0.44 -0.71 0.00 1.79 -0.74 -2.38 116.57 115.36 1qwv h LYS 74 Ca 0.03 -0.64 -0.07 0.00 -2.18 0.00 0.00 60.65 57.78 1qwv h LYS 74 Cb 0.91 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 1qwv h LYS 74 CO 0.08 1.28 0.16 0.22 -1.08 0.00 0.00 179.45 180.10 1qwv h ASP 75 N 0.17 1.09 -0.27 0.86 3.58 -1.00 -1.74 116.42 119.11 1qwv h ASP 75 Ca -0.16 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 1qwv h ASP 75 Cb 1.91 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 1qwv h ASP 75 CO 0.22 1.05 0.08 0.15 -2.88 0.00 0.00 179.24 177.86 1qwv h PHE 76 N 1.08 0.50 -0.08 0.28 3.57 -0.23 -1.58 116.94 120.48 1qwv h PHE 76 Ca 0.22 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 1qwv h PHE 76 Cb 0.40 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1qwv h PHE 76 CO 0.03 0.44 -0.49 0.00 -2.23 0.00 0.00 178.31 176.07 1qwv h ALA 77 N 1.60 1.04 -0.17 2.41 0.00 -0.89 0.32 119.26 123.58 1qwv h ALA 77 Ca 0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1qwv h ALA 77 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qwv h ALA 77 CO -0.00 0.64 -0.51 0.52 0.00 0.00 0.00 179.25 179.90 1qwv h MET 78 N 0.16 0.47 0.00 0.00 2.86 -0.44 -0.33 114.93 117.65 1qwv h MET 78 Ca 0.01 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1qwv h MET 78 Cb 0.92 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1qwv h MET 78 CO 0.07 0.87 -0.76 1.63 1.06 0.00 0.00 176.91 179.78 1qwv n LYS 79 N -3.97 0.29 -3.48 1.72 5.02 -0.85 -4.57 118.16 112.33 1qwv n LYS 79 Ca -0.02 0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 1qwv n LYS 79 Cb 0.57 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1qwv s HIS 80 N -3.18 0.59 0.00 2.13 3.76 0.09 -4.97 115.29 113.71 1qwv s HIS 80 Ca 0.05 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 1qwv s HIS 80 Cb 0.14 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.93 1qwv s HIS 80 CO 0.75 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 1qwv n GLY 81 N 4.40 2.08 3.78 -2.22 0.00 -1.18 -4.34 105.19 107.70 1qwv n GLY 81 Ca 0.07 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1qwv n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv s ALA 82 N -0.53 3.58 0.79 4.61 0.00 -0.15 -3.93 121.76 126.13 1qwv s ALA 82 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1qwv s ALA 82 Cb 0.00 -1.58 0.14 0.00 0.00 0.00 0.00 23.12 21.68 1qwv s ALA 82 CO 0.00 0.69 1.09 0.16 0.00 0.00 0.00 175.76 177.70 1qwv s ASP 83 N -1.71 4.02 0.28 0.00 -4.77 -1.26 -4.11 116.67 109.12 1qwv s ASP 83 Ca 0.23 -0.10 0.02 0.00 -3.30 0.00 0.00 52.55 49.39 1qwv s ASP 83 Cb -0.12 -0.20 0.59 0.00 -1.09 0.00 0.00 42.92 42.10 1qwv s ASP 83 CO 0.14 -2.10 1.81 -0.33 0.70 0.00 0.00 175.17 175.39 1qwv h GLU 84 N -0.87 0.86 -0.09 2.11 4.39 -1.98 -0.34 114.58 118.67 1qwv h GLU 84 Ca -0.39 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.10 1qwv h GLU 84 Cb 1.26 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1qwv h GLU 84 CO 0.41 0.57 -0.62 0.00 -1.16 0.00 0.00 179.01 178.21 1qwv h THR 85 N 0.89 1.38 0.22 1.13 1.03 -1.98 -2.14 112.91 113.44 1qwv h THR 85 Ca 0.51 -1.99 -0.33 0.00 -0.01 0.00 0.00 66.41 64.59 1qwv h THR 85 Cb 0.60 1.99 0.03 0.00 -1.07 0.00 0.00 68.15 69.70 1qwv h THR 85 CO -0.30 0.59 -1.52 0.24 -0.01 0.00 0.00 175.52 174.52 1qwv h MET 86 N 0.22 0.47 -0.79 0.00 2.86 -1.54 -1.22 114.93 114.94 1qwv h MET 86 Ca -0.01 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 1qwv h MET 86 Cb 1.14 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 33.06 1qwv h MET 86 CO 0.10 1.38 0.51 0.00 1.06 0.00 0.00 176.91 179.96 1qwv h ALA 87 N 0.21 1.41 0.00 6.32 0.00 -1.18 -0.81 119.26 125.21 1qwv h ALA 87 Ca -0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1qwv h ALA 87 Cb 2.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1qwv h ALA 87 CO 0.24 0.53 -0.33 1.96 0.00 0.00 0.00 179.25 181.66 1qwv h GLN 88 N 1.07 0.00 0.00 0.00 7.50 -1.15 0.39 115.11 122.92 1qwv h GLN 88 Ca 0.29 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.31 1qwv h GLN 88 Cb -0.10 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.41 1qwv h GLN 88 CO -0.06 0.33 -0.59 1.96 -1.50 0.00 0.00 178.83 178.97 1qwv h GLN 89 N 0.00 0.00 0.09 1.46 1.08 -0.62 -3.35 115.11 113.78 1qwv h GLN 89 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.91 1qwv h GLN 89 Cb 0.92 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1qwv h GLN 89 CO 0.04 0.59 -1.49 1.25 -0.95 0.00 0.00 178.83 178.27 1qwv h LEU 90 N 0.00 0.31 -1.40 1.46 5.85 -0.31 -3.36 115.31 117.85 1qwv h LEU 90 Ca -0.01 -0.81 0.07 0.00 0.84 0.00 0.00 57.88 57.97 1qwv h LEU 90 Cb 1.45 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 1qwv h LEU 90 CO 0.08 1.64 0.47 -0.37 -0.34 0.00 0.00 178.44 179.92 1qwv h VAL 91 N -0.37 1.00 -0.46 1.05 -1.51 -0.42 0.25 116.25 115.79 1qwv h VAL 91 Ca -0.34 -0.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.86 1qwv h VAL 91 Cb 1.72 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1qwv h VAL 91 CO 0.01 0.13 0.18 -0.78 -1.23 0.00 0.00 177.57 175.88 1qwv h ASP 92 N 0.71 0.64 -0.37 4.19 3.58 -1.73 0.16 116.42 123.61 1qwv h ASP 92 Ca 0.32 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 1qwv h ASP 92 Cb 0.31 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1qwv h ASP 92 CO -0.11 0.65 -0.17 0.40 -2.88 0.00 0.00 179.24 177.13 1qwv h ILE 93 N 0.60 1.28 -0.32 2.25 5.03 -1.45 -2.07 117.51 122.84 1qwv h ILE 93 Ca 0.15 -1.30 0.06 0.00 -0.12 0.00 0.00 64.86 63.65 1qwv h ILE 93 Cb 0.21 1.34 -0.05 0.00 -3.03 0.00 0.00 36.82 35.29 1qwv h ILE 93 CO -0.01 0.43 -0.01 0.40 -0.68 0.00 0.00 178.15 178.28 1qwv h ILE 94 N 0.56 0.76 -0.17 -0.67 2.04 -0.08 0.29 117.51 120.23 1qwv h ILE 94 Ca 0.08 -0.03 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 1qwv h ILE 94 Cb 0.72 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1qwv h ILE 94 CO 0.05 0.01 -0.52 0.45 0.00 0.00 0.00 178.15 178.15 1qwv h HIS 95 N 0.08 0.58 0.00 1.37 3.86 -0.68 -2.24 115.15 118.12 1qwv h HIS 95 Ca 0.15 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1qwv h HIS 95 Cb 0.21 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1qwv h HIS 95 CO -0.24 0.88 -0.19 0.78 0.86 0.00 0.00 177.93 180.03 1qwv h GLY 96 N 1.15 0.00 2.00 2.45 0.00 -0.75 -2.60 103.07 105.32 1qwv h GLY 96 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1qwv h GLY 96 CO 0.09 0.00 -0.62 0.00 0.00 0.00 0.00 176.54 176.01 1qwv h GLU 98 N 0.00 0.44 -0.25 0.00 4.81 -1.49 0.18 114.58 118.27 1qwv h GLU 98 Ca -0.01 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1qwv h GLU 98 Cb 1.11 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1qwv h GLU 98 CO 0.08 0.66 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.48 1qwv h LYS 99 N 0.39 0.65 -0.53 1.92 1.63 -0.96 -3.22 116.57 116.44 1qwv h LYS 99 Ca 0.06 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1qwv h LYS 99 Cb 0.65 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1qwv h LYS 99 CO 0.05 0.98 0.00 -1.13 -3.45 0.00 0.00 179.45 175.90 1qwv n SER 100 N -4.27 2.87 -4.73 4.20 3.41 0.73 -4.93 113.62 110.90 1qwv n SER 100 Ca -0.05 -2.02 -0.33 0.00 -0.26 0.00 0.00 58.87 56.21 1qwv n SER 100 Cb 0.49 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 64.17 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qwv s ALA 101 N -1.33 2.08 0.82 7.33 0.00 0.61 -4.95 121.76 126.32 1qwv s ALA 101 Ca 0.35 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1qwv s ALA 101 Cb 0.19 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1qwv s ALA 101 CO 0.23 -1.92 0.40 -0.35 0.00 0.00 0.00 175.76 174.12 1qwv n PRO 102 N -3.08 0.06 0.00 0.00 -0.04 -1.26 -4.77 135.00 125.91 1qwv n PRO 102 Ca 0.12 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1qwv n PRO 102 Cb 0.51 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1qwv n PRO 103 N -0.88 0.43 -3.74 0.54 -0.02 -1.26 -4.48 135.00 125.59 1qwv n PRO 103 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 1qwv n PRO 103 Cb 0.52 -1.25 -0.12 0.00 -0.02 0.00 0.00 33.50 32.63 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 0.14 5.32 -1.11 2.55 -0.87 -1.26 -5.03 114.94 114.67 1qwv s ASN 104 Ca 0.00 -1.57 -0.22 0.00 -1.57 0.00 0.00 52.86 49.50 1qwv s ASN 104 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 41.25 39.37 1qwv s ASN 104 CO 0.00 -0.45 1.75 -0.62 -2.57 0.00 0.00 177.10 175.20 1qwv s ASP 105 N 1.75 5.98 -0.48 -1.22 2.15 -1.26 -4.90 116.67 118.68 1qwv s ASP 105 Ca 0.02 -1.62 -0.14 0.00 0.43 0.00 0.00 52.55 51.24 1qwv s ASP 105 Cb -0.22 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1qwv s ASP 105 CO -0.00 -2.03 0.40 -0.62 -0.17 0.00 0.00 175.17 172.74 1qwv s ASP 106 N 5.75 6.07 0.24 -0.34 -1.08 -1.26 -4.98 116.67 121.07 1qwv s ASP 106 Ca 0.58 -1.46 -0.08 0.00 -0.52 0.00 0.00 52.55 51.07 1qwv s ASP 106 Cb -0.00 -2.16 0.39 0.00 -1.46 0.00 0.00 42.92 39.69 1qwv s ASP 106 CO 0.02 -0.68 1.37 0.29 0.52 0.00 0.00 175.17 176.70 1qwv n LYS 107 N 5.16 -0.09 0.03 4.34 4.01 -1.26 -1.82 118.16 128.53 1qwv n LYS 107 Ca -0.12 1.37 0.09 0.00 -0.51 0.00 0.00 58.31 59.14 1qwv n LYS 107 Cb 0.43 -2.04 -0.10 0.00 -0.51 0.00 0.00 35.03 32.81 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qwv h MET 109 N 0.00 0.00 -0.56 0.00 2.86 -1.72 -3.32 114.93 112.19 1qwv h MET 109 Ca -0.04 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1qwv h MET 109 Cb 1.11 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 1qwv h MET 109 CO 0.01 0.66 0.27 1.57 1.06 0.00 0.00 176.91 180.47 1qwv h LYS 110 N 0.00 0.49 0.00 1.72 2.10 -1.60 0.19 116.57 119.47 1qwv h LYS 110 Ca -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1qwv h LYS 110 Cb 1.24 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1qwv h LYS 110 CO 0.09 0.33 0.10 0.00 -2.00 0.00 0.00 179.45 177.96 1qwv h THR 111 N 0.51 0.00 0.09 0.07 1.03 -1.83 -0.29 112.91 112.50 1qwv h THR 111 Ca 0.26 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.31 1qwv h THR 111 Cb 0.20 0.56 -0.03 0.00 -1.07 0.00 0.00 68.15 67.81 1qwv h THR 111 CO -0.20 0.00 -1.91 -0.38 -0.01 0.00 0.00 175.52 173.03 1qwv n ILE 112 N -2.44 1.74 -0.25 0.00 -0.00 0.63 -2.23 119.36 116.82 1qwv n ILE 112 Ca -0.02 -0.70 0.01 0.00 -0.00 0.00 0.00 62.75 62.05 1qwv n ILE 112 Cb 0.14 -1.55 0.23 0.00 -0.00 0.00 0.00 39.64 38.46 1qwv n ILE 112 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1qwv h ASP 113 N 0.05 0.91 0.39 4.38 3.32 -0.77 -0.35 116.42 124.35 1qwv h ASP 113 Ca -0.38 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.36 1qwv h ASP 113 Cb 2.03 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 41.38 1qwv h ASP 113 CO 0.09 0.64 -1.27 -0.37 -1.72 0.00 0.00 179.24 176.61 1qwv h VAL 114 N 1.06 1.38 0.26 -1.35 -1.51 -1.41 -2.79 116.25 111.90 1qwv h VAL 114 Ca 0.31 -2.75 -0.01 0.00 -1.23 0.00 0.00 66.70 63.02 1qwv h VAL 114 Cb -0.05 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1qwv h VAL 114 CO -0.08 0.82 -0.12 0.00 -1.23 0.00 0.00 177.57 176.95 1qwv h ALA 115 N 0.43 -0.35 0.00 5.19 0.00 -0.96 0.49 119.26 124.05 1qwv h ALA 115 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qwv h ALA 115 Cb 1.96 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1qwv h ALA 115 CO 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 179.25 178.81 1qwv h MET 116 N -0.40 0.00 -0.02 0.00 -0.00 -1.21 -1.14 114.93 112.17 1qwv h MET 116 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.54 1qwv h MET 116 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.89 1qwv h MET 116 CO 0.06 0.00 -0.58 0.00 -0.00 0.00 0.00 176.91 176.39 1qwv h PHE 118 N 0.04 0.42 -0.00 0.00 3.57 0.34 -2.11 116.94 119.21 1qwv h PHE 118 Ca -0.01 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.14 1qwv h PHE 118 Cb 1.04 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1qwv h PHE 118 CO 0.00 1.09 -0.52 1.57 -2.23 0.00 0.00 178.31 178.22 1qwv h LYS 119 N -0.36 0.00 -0.33 1.11 2.10 -1.52 -0.02 116.57 117.56 1qwv h LYS 119 Ca -0.06 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 1qwv h LYS 119 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1qwv h LYS 119 CO 0.09 0.52 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.81 1qwv h LYS 120 N 0.00 0.59 0.29 0.07 3.11 -1.45 -1.98 116.57 117.21 1qwv h LYS 120 Ca -0.01 -0.20 -0.01 0.00 -2.81 0.00 0.00 60.65 57.62 1qwv h LYS 120 Cb 0.91 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1qwv h LYS 120 CO 0.07 0.74 -0.18 0.93 -2.81 0.00 0.00 179.45 178.20 1qwv h GLU 121 N 0.39 -0.44 -0.60 1.90 4.39 -1.04 -2.29 114.58 116.89 1qwv h GLU 121 Ca 0.09 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.93 1qwv h GLU 121 Cb 0.49 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1qwv h GLU 121 CO 0.02 -0.30 0.41 0.97 -1.16 0.00 0.00 179.01 178.95 1qwv h ILE 122 N -0.46 0.85 -0.10 3.13 2.10 -0.96 0.11 117.51 122.18 1qwv h ILE 122 Ca -0.03 -0.11 -0.14 0.00 1.08 0.00 0.00 64.86 65.66 1qwv h ILE 122 Cb 0.38 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 1qwv h ILE 122 CO 0.03 0.06 -0.56 0.45 -1.08 0.00 0.00 178.15 177.05 1qwv h HIS 123 N 0.32 0.38 0.00 2.19 3.86 -1.15 -2.61 115.15 118.14 1qwv h HIS 123 Ca 0.28 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1qwv h HIS 123 Cb 0.68 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1qwv h HIS 123 CO -0.00 0.79 0.00 -0.22 0.86 0.00 0.00 177.93 179.36 1qwv h LYS 124 N 0.23 0.00 -0.09 2.45 3.64 -0.28 -3.01 116.57 119.51 1qwv h LYS 124 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qwv h LYS 124 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1qwv h LYS 124 CO 0.09 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.55 1qwv n LEU 125 N -2.39 0.29 0.00 5.20 4.77 -0.20 -4.75 117.00 119.92 1qwv n LEU 125 Ca 0.04 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1qwv n LEU 125 Cb 0.38 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1qwv n LEU 125 CO 0.28 0.07 0.00 -3.20 -1.33 0.00 0.00 177.39 173.21 1qwv n ASN 126 N -0.35 0.00 -4.55 -1.43 2.85 -1.14 -5.04 115.26 105.60 1qwv n ASN 126 Ca 0.01 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.11 1qwv n ASN 126 Cb 0.05 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.04 1qwv n ASN 126 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1qwv s TRP 127 N 3.66 1.50 -0.28 1.20 0.52 -1.26 -4.88 118.94 119.39 1qwv s TRP 127 Ca 0.00 1.01 -0.18 0.00 0.02 0.00 0.00 56.10 56.94 1qwv s TRP 127 Cb 0.00 -3.94 0.11 0.00 -1.15 0.00 0.00 33.47 28.48 1qwv s TRP 127 CO 0.00 -2.35 0.84 0.54 0.02 0.00 0.00 176.95 176.00 1qwv s VAL 128 N 10.01 0.00 -0.74 4.03 0.11 -1.26 -4.91 120.40 127.64 1qwv s VAL 128 Ca 0.76 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1qwv s VAL 128 Cb -0.14 -1.00 -0.16 0.00 -1.53 0.00 0.00 36.38 33.55 1qwv s VAL 128 CO 0.22 0.00 3.06 -2.65 -3.33 0.00 0.00 175.10 172.40 1qwv n PRO 129 N 3.61 2.59 -2.55 1.54 -0.02 -1.26 -4.90 135.00 134.00 1qwv n PRO 129 Ca -0.18 -1.47 -0.42 0.00 -2.02 0.00 0.00 63.50 59.41 1qwv n PRO 129 Cb 0.58 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1qwv n PRO 129 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwv s ASN 130 N 2.26 6.42 -0.13 2.55 2.47 -1.26 -4.96 114.94 122.29 1qwv s ASN 130 Ca 0.62 0.18 -0.05 0.00 0.42 0.00 0.00 52.86 54.02 1qwv s ASN 130 Cb 0.23 -2.55 0.06 0.00 -1.45 0.00 0.00 41.25 37.54 1qwv s ASN 130 CO -0.03 -1.49 0.28 0.00 -3.72 0.00 0.00 177.10 172.14 1qwv s MET 131 N 4.99 0.19 0.31 0.43 0.23 -1.26 -5.16 119.30 119.03 1qwv s MET 131 Ca 0.45 0.73 0.10 0.00 -1.03 0.00 0.00 55.69 55.94 1qwv s MET 131 Cb -0.08 -0.02 -0.05 0.00 -1.53 0.00 0.00 34.83 33.15 1qwv s MET 131 CO 0.26 -0.25 -0.08 0.34 -2.03 0.00 0.00 175.02 173.27 1qwv s ASP 132 N 2.10 3.95 -0.72 -1.18 2.15 -1.26 -5.07 116.67 116.64 1qwv s ASP 132 Ca -0.02 -1.00 -0.27 0.00 0.43 0.00 0.00 52.55 51.69 1qwv s ASP 132 Cb -0.11 -0.46 0.02 0.00 -0.30 0.00 0.00 42.92 42.06 1qwv s ASP 132 CO -0.09 -0.11 1.43 -0.22 -0.17 0.00 0.00 175.17 176.01 1qwv s LEU 133 N -3.62 3.20 -0.26 -1.34 2.96 -1.26 -4.96 118.68 113.40 1qwv s LEU 133 Ca 0.32 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 1qwv s LEU 133 Cb -0.02 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1qwv s LEU 133 CO 0.17 -1.97 1.86 0.68 -1.32 0.00 0.00 176.35 175.78 1qwv s VAL 134 N 6.55 3.40 -0.02 1.68 -7.23 -1.26 -4.97 120.40 118.56 1qwv s VAL 134 Ca 0.43 0.42 -0.21 0.00 -1.81 0.00 0.00 61.98 60.81 1qwv s VAL 134 Cb -0.09 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1qwv s VAL 134 CO 0.15 -0.27 0.63 -0.51 -0.31 0.00 0.00 175.10 174.78 1qwv s ILE 135 N 6.65 4.93 -0.02 -0.62 -1.16 -1.26 -5.06 121.20 124.65 1qwv s ILE 135 Ca 0.83 1.31 0.02 0.00 -0.51 0.00 0.00 60.65 62.30 1qwv s ILE 135 Cb -0.26 -3.97 0.00 0.00 0.61 0.00 0.00 42.46 38.84 1qwv s ILE 135 CO 0.34 0.38 -0.09 -0.83 -2.81 0.00 0.00 174.94 171.92 1qwv s GLY 136 N 0.05 0.51 -0.42 1.50 0.00 -1.26 -5.10 107.32 102.59 1qwv s GLY 136 Ca 0.33 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 1qwv s GLY 136 CO 0.18 -0.10 1.27 -0.54 0.00 0.00 0.00 173.10 173.91 1qwv s GLU 137 N 0.17 3.69 -1.24 2.90 2.02 -1.26 -4.93 118.70 120.04 1qwv s GLU 137 Ca -0.03 0.82 -0.13 0.00 0.02 0.00 0.00 54.97 55.66 1qwv s GLU 137 Cb -0.08 -3.95 0.16 0.00 0.10 0.00 0.00 34.13 30.37 1qwv s GLU 137 CO 0.00 -1.42 1.59 0.28 0.02 0.00 0.00 175.26 175.74 1qwv n VAL 138 N 6.84 4.26 -2.66 2.63 0.31 -1.26 -5.00 118.33 123.45 1qwv n VAL 138 Ca 0.14 -4.59 -0.40 0.00 -0.01 0.00 0.00 64.34 59.48 1qwv n VAL 138 Cb 0.48 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.93 1qwv n VAL 138 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1qwv s LEU 139 N 1.17 4.59 -0.32 7.52 -0.00 -1.26 -5.03 118.68 125.35 1qwv s LEU 139 Ca 0.42 2.01 0.02 0.00 -0.00 0.00 0.00 54.13 56.58 1qwv s LEU 139 Cb 0.01 -3.61 0.10 0.00 -0.00 0.00 0.00 46.19 42.69 1qwv s LEU 139 CO 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 176.35 176.42 1qwv s ALA 140 N -0.87 2.36 0.39 1.48 0.00 -1.26 -5.11 121.76 118.76 1qwv s ALA 140 Ca 0.44 -2.14 -0.24 0.00 0.00 0.00 0.00 51.96 50.02 1qwv s ALA 140 Cb -0.27 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 1qwv s ALA 140 CO 0.34 -1.63 1.01 -2.00 0.00 0.00 0.00 175.76 173.48 1qwv s GLU 141 N 1.18 4.26 0.00 0.00 2.12 -1.26 -5.35 118.70 119.65 1qwv s GLU 141 Ca 0.09 1.40 0.28 0.00 0.36 0.00 0.00 54.97 57.09 1qwv s GLU 141 Cb -0.18 -2.52 1.00 0.00 0.26 0.00 0.00 34.13 32.68 1qwv s GLU 141 CO -0.13 -0.04 1.72 1.33 -0.54 0.00 0.00 175.26 177.59