#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 0.13 -2.00 -2.51 132.00 129.04 1qwv h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qwv h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1qwv h PRO 2 CO 0.00 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 178.65 1qwv h GLU 3 N 0.00 -0.05 0.00 0.86 3.07 -1.91 -1.01 114.58 115.53 1qwv h GLU 3 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qwv h GLU 3 Cb 0.24 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1qwv h GLU 3 CO -0.00 -0.04 -0.01 0.82 -1.40 0.00 0.00 179.01 178.38 1qwv h ILE 4 N -0.06 0.00 -0.59 3.13 1.08 -1.79 -3.26 117.51 116.02 1qwv h ILE 4 Ca 0.00 -0.51 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1qwv h ILE 4 Cb 0.06 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1qwv h ILE 4 CO -0.03 0.00 0.10 -0.03 -0.69 0.00 0.00 178.15 177.49 1qwv h MET 5 N 0.00 0.94 -5.30 2.37 4.05 -1.11 -3.40 114.93 112.49 1qwv h MET 5 Ca 0.00 -0.23 -0.62 0.00 -0.28 0.00 0.00 59.70 58.57 1qwv h MET 5 Cb 0.75 -0.12 -0.13 0.00 -0.80 0.00 0.00 31.60 31.30 1qwv h MET 5 CO 0.00 0.87 -0.09 0.21 0.23 0.00 0.00 176.91 178.13 1qwv s LYS 6 N -5.16 4.06 0.17 0.39 2.20 -0.41 -5.04 119.74 115.94 1qwv s LYS 6 Ca -0.11 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 1qwv s LYS 6 Cb 0.15 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 1qwv s LYS 6 CO 0.82 -0.31 1.24 1.21 -0.36 0.00 0.00 175.35 177.96 1qwv s ASN 7 N 1.54 7.01 0.22 1.43 3.84 -1.26 -4.91 114.94 122.80 1qwv s ASN 7 Ca 0.19 2.26 -0.09 0.00 0.21 0.00 0.00 52.86 55.43 1qwv s ASN 7 Cb -0.16 -2.60 0.24 0.00 -0.55 0.00 0.00 41.25 38.18 1qwv s ASN 7 CO 0.09 -0.45 1.84 -0.07 -2.79 0.00 0.00 177.10 175.72 1qwv h LEU 8 N 5.60 0.69 -1.01 3.21 3.38 -1.92 0.36 115.31 125.62 1qwv h LEU 8 Ca -0.44 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1qwv h LEU 8 Cb 1.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1qwv h LEU 8 CO 0.77 0.46 0.40 0.28 0.09 0.00 0.00 178.44 180.45 1qwv h SER 9 N 0.83 0.99 0.41 -0.43 0.02 -1.92 0.15 113.55 113.60 1qwv h SER 9 Ca 0.31 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 1qwv h SER 9 Cb 0.11 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1qwv h SER 9 CO -0.15 0.81 -0.88 -1.13 -1.14 0.00 0.00 176.83 174.35 1qwv h ASN 10 N 1.10 0.42 0.26 3.07 -0.73 -1.72 -0.97 115.58 117.02 1qwv h ASN 10 Ca 0.27 -0.33 -0.01 0.00 1.87 0.00 0.00 56.30 58.10 1qwv h ASN 10 Cb 0.06 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1qwv h ASN 10 CO -0.04 1.11 -0.13 -1.13 -0.37 0.00 0.00 177.43 176.88 1qwv h ASN 11 N 0.19 -0.30 0.00 1.15 -1.24 0.24 -3.25 115.58 112.37 1qwv h ASN 11 Ca -0.06 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1qwv h ASN 11 Cb 1.50 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.63 1qwv h ASN 11 CO 0.15 0.07 0.00 0.49 -1.29 0.00 0.00 177.43 176.85 1qwv n PHE 12 N -5.10 0.00 -3.93 0.67 3.72 0.47 -4.87 117.46 108.42 1qwv n PHE 12 Ca -0.09 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.00 1qwv n PHE 12 Cb 0.25 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.94 -0.49 0.30 1.37 0.00 -0.37 -4.90 105.19 100.16 1qwv n GLY 13 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.07 -0.67 -1.47 1.61 3.11 -1.89 -3.43 116.57 111.75 1qwv h LYS 14 Ca -0.58 0.05 -0.21 0.00 -2.81 0.00 0.00 60.65 57.09 1qwv h LYS 14 Cb 1.38 0.15 -0.25 0.00 -1.00 0.00 0.00 32.23 32.51 1qwv h LYS 14 CO 0.68 -0.38 -0.56 0.00 -2.81 0.00 0.00 179.45 176.37 1qwv s ALA 15 N -4.70 -1.41 0.21 5.00 0.00 -1.26 -4.98 121.76 114.62 1qwv s ALA 15 Ca -0.13 -0.35 0.17 0.00 0.00 0.00 0.00 51.96 51.64 1qwv s ALA 15 Cb 0.02 -2.39 0.64 0.00 0.00 0.00 0.00 23.12 21.38 1qwv s ALA 15 CO 0.43 -2.17 1.73 0.52 0.00 0.00 0.00 175.76 176.27 1qwv h MET 16 N 7.06 0.00 0.00 0.00 2.86 -1.95 -3.04 114.93 119.85 1qwv h MET 16 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1qwv h MET 16 Cb 1.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1qwv h MET 16 CO 0.15 0.42 -0.05 0.22 1.06 0.00 0.00 176.91 178.71 1qwv h ASP 17 N 0.00 0.00 0.88 1.22 3.58 -1.99 -0.85 116.42 119.27 1qwv h ASP 17 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 1qwv h ASP 17 Cb 0.90 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 1qwv h ASP 17 CO 0.05 0.05 -1.20 1.56 -2.88 0.00 0.00 179.24 176.83 1qwv h GLN 18 N 0.00 0.00 0.01 0.28 4.20 -1.96 -1.12 115.11 116.52 1qwv h GLN 18 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1qwv h GLN 18 Cb 0.15 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1qwv h GLN 18 CO 0.01 0.30 -0.98 0.00 -0.67 0.00 0.00 178.83 177.49 1qwv h LYS 20 N 0.25 0.94 -0.21 0.00 5.09 -1.17 -0.41 116.57 121.06 1qwv h LYS 20 Ca -0.09 -0.19 -0.13 0.00 0.09 0.00 0.00 60.65 60.32 1qwv h LYS 20 Cb 1.63 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.82 1qwv h LYS 20 CO 0.17 0.82 -0.39 0.22 -2.09 0.00 0.00 179.45 178.18 1qwv h ASP 21 N 0.86 0.71 -0.31 7.07 3.58 -1.23 0.37 116.42 127.48 1qwv h ASP 21 Ca 0.20 -0.54 -0.14 0.00 0.42 0.00 0.00 57.03 56.96 1qwv h ASP 21 Cb 0.26 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1qwv h ASP 21 CO -0.01 1.12 -0.37 -0.08 -2.88 0.00 0.00 179.24 177.01 1qwv h GLU 22 N 0.33 0.79 -0.02 0.28 4.81 -0.98 -2.80 114.58 116.99 1qwv h GLU 22 Ca 0.01 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1qwv h GLU 22 Cb 0.99 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1qwv h GLU 22 CO 0.09 1.08 0.00 1.28 -0.73 0.00 0.00 179.01 180.72 1qwv n LEU 23 N -4.16 0.54 -1.69 1.64 4.77 -0.18 -4.88 117.00 113.05 1qwv n LEU 23 Ca -0.04 -0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.61 1qwv n LEU 23 Cb 0.53 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1qwv n LEU 23 CO 0.47 0.10 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.32 1qwv n SER 24 N -0.54 -4.25 -4.67 -1.43 7.64 -1.06 -4.95 113.62 104.37 1qwv n SER 24 Ca 0.20 -0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 1qwv n SER 24 Cb 0.19 -3.32 -0.03 0.00 -1.01 0.00 0.00 64.21 60.03 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 -4.04 4.40 0.76 -3.43 1.02 0.13 -5.00 118.68 112.51 1qwv s LEU 25 Ca 0.07 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.69 1qwv s LEU 25 Cb -0.03 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.69 1qwv s LEU 25 CO 0.09 -1.00 1.08 -2.84 0.02 0.00 0.00 176.35 173.70 1qwv s PRO 26 N 3.90 2.38 0.36 1.29 0.02 -1.26 -4.73 135.00 136.96 1qwv s PRO 26 Ca 0.83 1.10 0.27 0.00 0.02 0.00 0.00 61.00 63.22 1qwv s PRO 26 Cb -0.41 -1.92 1.15 0.00 0.02 0.00 0.00 34.50 33.34 1qwv s PRO 26 CO 0.37 -1.54 1.81 0.38 -0.33 0.00 0.00 177.00 177.69 1qwv h ASP 27 N -1.05 0.00 -0.08 2.53 2.03 -1.98 -2.22 116.42 115.65 1qwv h ASP 27 Ca -0.44 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.85 1qwv h ASP 27 Cb 1.23 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1qwv h ASP 27 CO 0.53 0.00 0.02 0.77 -1.03 0.00 0.00 179.24 179.52 1qwv h SER 28 N 0.00 0.13 -0.13 4.15 4.64 -1.99 -1.88 113.55 118.47 1qwv h SER 28 Ca 0.00 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1qwv h SER 28 Cb 0.39 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1qwv h SER 28 CO 0.00 0.34 -0.22 0.58 -0.87 0.00 0.00 176.83 176.66 1qwv h VAL 29 N -0.09 1.37 -0.08 0.95 2.07 -1.79 -2.56 116.25 116.12 1qwv h VAL 29 Ca 0.03 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.11 1qwv h VAL 29 Cb 0.26 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1qwv h VAL 29 CO 0.00 0.43 0.05 -0.37 0.02 0.00 0.00 177.57 177.70 1qwv h VAL 30 N -0.03 0.97 0.16 2.57 -1.51 -1.52 0.33 116.25 117.22 1qwv h VAL 30 Ca 0.01 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1qwv h VAL 30 Cb 0.79 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1qwv h VAL 30 CO 0.05 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.31 1qwv h ALA 31 N 1.96 -0.22 -0.34 5.19 0.00 -1.09 0.59 119.26 125.34 1qwv h ALA 31 Ca 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1qwv h ALA 31 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qwv h ALA 31 CO -0.00 -0.48 -0.19 -0.44 0.00 0.00 0.00 179.25 178.14 1qwv h ASP 32 N -0.49 0.64 -0.04 0.00 3.32 -1.01 -2.90 116.42 115.94 1qwv h ASP 32 Ca -0.02 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1qwv h ASP 32 Cb 0.38 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1qwv h ASP 32 CO 0.04 0.84 -0.31 0.25 -1.72 0.00 0.00 179.24 178.34 1qwv h LEU 33 N 0.57 -0.93 -0.11 1.55 6.46 -0.29 -2.05 115.31 120.52 1qwv h LEU 33 Ca 0.09 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1qwv h LEU 33 Cb 0.65 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1qwv h LEU 33 CO 0.05 -0.37 0.00 -1.22 -0.62 0.00 0.00 178.44 176.28 1qwv n TYR 34 N -5.40 0.00 -1.87 1.25 4.01 0.19 -4.81 117.16 110.53 1qwv n TYR 34 Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 1qwv n TYR 34 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1qwv n TYR 34 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qwv s ASN 35 N -1.55 6.43 -0.13 7.72 2.47 -0.77 -4.87 114.94 124.25 1qwv s ASN 35 Ca 0.00 2.26 0.02 0.00 0.42 0.00 0.00 52.86 55.56 1qwv s ASN 35 Cb 0.00 -2.53 -0.24 0.00 -1.45 0.00 0.00 41.25 37.03 1qwv s ASN 35 CO 0.00 -1.12 0.34 0.49 -3.72 0.00 0.00 177.10 173.08 1qwv n PHE 36 N 7.92 0.89 -2.56 0.43 3.72 -1.26 -4.93 117.46 121.67 1qwv n PHE 36 Ca 0.20 0.23 -0.33 0.00 -0.05 0.00 0.00 57.45 57.49 1qwv n PHE 36 Cb 0.43 -1.13 -0.04 0.00 -0.94 0.00 0.00 39.48 37.79 1qwv n PHE 36 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1qwv s TRP 37 N -2.56 3.17 -1.62 1.38 -2.14 -1.26 -4.89 118.94 111.02 1qwv s TRP 37 Ca -0.18 1.57 -0.10 0.00 2.66 0.00 0.00 56.10 60.04 1qwv s TRP 37 Cb 0.07 -2.94 -0.08 0.00 -3.10 0.00 0.00 33.47 27.42 1qwv s TRP 37 CO 0.77 -0.54 2.94 1.63 -2.66 0.00 0.00 176.95 179.09 1qwv n LYS 38 N -1.06 3.70 -0.22 3.25 4.01 -1.26 -4.57 118.16 122.01 1qwv n LYS 38 Ca 0.08 -2.23 0.10 0.00 -0.51 0.00 0.00 58.31 55.76 1qwv n LYS 38 Cb 0.53 -2.81 0.39 0.00 -0.51 0.00 0.00 35.03 32.63 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1qwv h ASP 39 N 5.02 0.61 -5.40 4.39 3.58 -1.95 -3.47 116.42 119.20 1qwv h ASP 39 Ca 0.87 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.33 1qwv h ASP 39 Cb 0.29 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1qwv h ASP 39 CO 1.79 0.35 -0.08 -0.67 -2.88 0.00 0.00 179.24 177.75 1qwv n ASP 40 N -4.51 -7.74 -4.94 2.28 2.03 -1.26 -5.02 116.55 97.38 1qwv n ASP 40 Ca 0.14 -0.04 -0.20 0.00 0.52 0.00 0.00 54.79 55.21 1qwv n ASP 40 Cb 0.38 -5.22 -0.02 0.00 -0.72 0.00 0.00 41.12 35.55 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1qwv s TYR 41 N -2.96 3.07 -0.35 -0.67 -0.85 -1.26 -5.08 117.35 109.25 1qwv s TYR 41 Ca 0.02 -0.23 -0.25 0.00 -0.52 0.00 0.00 57.07 56.10 1qwv s TYR 41 Cb -0.01 -1.88 0.01 0.00 0.38 0.00 0.00 41.96 40.46 1qwv s TYR 41 CO 0.76 0.10 0.86 0.08 -1.52 0.00 0.00 175.55 175.83 1qwv s VAL 42 N -2.20 4.68 -0.67 -3.49 1.01 -1.26 -4.99 120.40 113.48 1qwv s VAL 42 Ca 0.43 1.13 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 1qwv s VAL 42 Cb -0.08 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1qwv s VAL 42 CO 0.29 -0.43 1.72 -0.32 0.00 0.00 0.00 175.10 176.36 1qwv s MET 43 N 3.24 2.78 0.00 2.72 1.75 -1.26 -4.74 119.30 123.79 1qwv s MET 43 Ca 0.35 0.30 0.10 0.00 -1.25 0.00 0.00 55.69 55.19 1qwv s MET 43 Cb -0.13 -4.41 -0.11 0.00 2.84 0.00 0.00 34.83 33.02 1qwv s MET 43 CO 0.16 -2.63 0.43 0.25 -0.65 0.00 0.00 175.02 172.59 1qwv n THR 44 N 7.05 0.00 -2.75 10.11 -2.24 -1.26 -4.92 114.28 120.27 1qwv n THR 44 Ca 0.18 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 1qwv n THR 44 Cb 0.51 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.95 7.46 0.28 3.42 -1.08 -1.26 -4.94 116.67 118.61 1qwv s ASP 45 Ca 0.04 1.75 0.12 0.00 -0.52 0.00 0.00 52.55 53.94 1qwv s ASP 45 Cb 0.08 -2.58 0.38 0.00 -1.46 0.00 0.00 42.92 39.34 1qwv s ASP 45 CO 0.41 -0.08 1.61 0.03 0.52 0.00 0.00 175.17 177.67 1qwv h ARG 46 N 5.69 0.00 0.00 4.34 -0.00 -1.93 -2.25 114.38 120.23 1qwv h ARG 46 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1qwv h ARG 46 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.18 1qwv h ARG 46 CO 0.72 0.59 0.00 -0.07 0.00 0.00 0.00 179.97 181.21 1qwv h LEU 47 N 0.00 0.00 0.00 3.04 -0.00 -1.95 -2.57 115.31 113.83 1qwv h LEU 47 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1qwv h LEU 47 Cb 1.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1qwv h LEU 47 CO 0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 178.44 178.25 1qwv h ALA 48 N 2.38 0.02 -0.89 1.53 0.00 -1.79 -2.40 119.26 118.11 1qwv h ALA 48 Ca 0.00 -0.30 0.23 0.00 0.00 0.00 0.00 54.91 54.84 1qwv h ALA 48 Cb 0.61 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.48 1qwv h ALA 48 CO 0.00 0.24 -0.05 0.41 0.00 0.00 0.00 179.25 179.85 1qwv n GLY 49 N 1.69 -1.29 0.20 0.00 0.00 -1.10 -0.57 105.19 104.12 1qwv n GLY 49 Ca -0.05 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv h ALA 51 N 0.85 1.14 -0.16 0.00 0.00 -0.50 -2.18 119.26 118.42 1qwv h ALA 51 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1qwv h ALA 51 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1qwv h ALA 51 CO 0.02 0.19 -0.20 0.82 0.00 0.00 0.00 179.25 180.09 1qwv h ILE 52 N 0.00 1.22 -1.54 0.00 1.08 -0.71 -3.30 117.51 114.25 1qwv h ILE 52 Ca -0.00 -0.99 -0.48 0.00 -0.39 0.00 0.00 64.86 63.00 1qwv h ILE 52 Cb 0.51 1.32 -0.41 0.00 -3.07 0.00 0.00 36.82 35.17 1qwv h ILE 52 CO 0.02 0.31 -1.00 -0.46 -0.69 0.00 0.00 178.15 176.32 1qwv n ASN 53 N -4.20 2.56 -0.03 1.72 2.04 -0.85 -4.63 115.26 111.87 1qwv n ASN 53 Ca -0.01 -3.17 -0.06 0.00 -0.44 0.00 0.00 54.58 50.91 1qwv n ASN 53 Cb 0.33 -0.54 -0.03 0.00 -2.53 0.00 0.00 39.78 37.01 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1qwv h LEU 55 N -0.10 0.46 -0.01 0.00 4.07 -1.88 -0.18 115.31 117.68 1qwv h LEU 55 Ca -0.15 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1qwv h LEU 55 Cb 1.19 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1qwv h LEU 55 CO -0.06 0.26 0.00 0.00 -1.08 0.00 0.00 178.44 177.56 1qwv n ALA 56 N -2.41 2.30 0.05 1.53 0.00 -1.26 -2.09 120.51 118.63 1qwv n ALA 56 Ca 0.11 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1qwv n ALA 56 Cb 0.28 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 1qwv n ALA 56 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qwv h THR 57 N 0.00 1.29 -0.04 0.00 2.02 -1.32 -3.22 112.91 111.64 1qwv h THR 57 Ca 0.00 -2.98 -0.13 0.00 0.77 0.00 0.00 66.41 64.07 1qwv h THR 57 Cb 0.58 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1qwv h THR 57 CO 0.00 0.82 -0.56 0.11 0.37 0.00 0.00 175.52 176.25 1qwv h LYS 58 N 0.04 0.13 0.21 6.66 1.79 -0.70 -3.26 116.57 121.44 1qwv h LYS 58 Ca -0.17 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1qwv h LYS 58 Cb 1.94 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.61 1qwv h LYS 58 CO 0.14 0.66 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.00 1qwv h LEU 59 N 0.10 -0.24 -6.36 2.94 -0.00 -1.59 -3.49 115.31 106.68 1qwv h LEU 59 Ca -0.00 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.13 1qwv h LEU 59 Cb 1.02 0.06 -0.29 0.00 -0.00 0.00 0.00 40.66 41.45 1qwv h LEU 59 CO 0.08 -0.13 0.61 -0.62 -0.00 0.00 0.00 178.44 178.39 1qwv s ASP 60 N -2.93 -0.06 -0.01 -0.43 2.15 -1.21 -5.08 116.67 109.10 1qwv s ASP 60 Ca -0.04 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1qwv s ASP 60 Cb 0.00 1.05 0.01 0.00 -0.30 0.00 0.00 42.92 43.69 1qwv s ASP 60 CO 0.12 -0.01 0.25 0.55 -0.17 0.00 0.00 175.17 175.91 1qwv n VAL 61 N 4.07 0.00 -3.69 1.11 3.14 -1.26 -4.82 118.33 116.88 1qwv n VAL 61 Ca -0.10 -0.03 -0.37 0.00 -2.96 0.00 0.00 64.34 60.88 1qwv n VAL 61 Cb 0.56 0.18 -0.10 0.00 -1.06 0.00 0.00 33.84 33.41 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 0.00 5.12 -0.06 1.55 -7.23 -1.26 -4.10 120.40 114.42 1qwv s VAL 62 Ca 0.00 0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 1qwv s VAL 62 Cb 0.01 -3.40 -0.16 0.00 0.56 0.00 0.00 36.38 33.40 1qwv s VAL 62 CO -0.00 0.33 0.84 -0.78 -0.31 0.00 0.00 175.10 175.17 1qwv h ASP 63 N 7.80 -0.16 0.00 4.85 3.58 -1.86 -3.46 116.42 127.17 1qwv h ASP 63 Ca -0.37 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1qwv h ASP 63 Cb 1.18 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1qwv h ASP 63 CO 0.62 0.41 0.00 -0.81 -2.88 0.00 0.00 179.24 176.58 1qwv n PRO 64 N -4.90 2.82 0.00 0.28 -0.04 -1.26 -4.93 135.00 126.97 1qwv n PRO 64 Ca -0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1qwv n PRO 64 Cb 0.27 0.00 0.44 0.00 -0.04 0.00 0.00 33.50 34.17 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 8.00 -1.26 -4.85 116.55 121.98 1qwv n ASP 65 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.64 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 0.28 1.48 3.83 0.44 0.00 -1.26 -5.11 105.19 104.84 1qwv n GLY 66 Ca 0.11 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.19 5.90 -0.85 1.61 4.22 -1.26 -4.10 114.94 118.27 1qwv s ASN 67 Ca 0.00 1.64 -0.02 0.00 -2.14 0.00 0.00 52.86 52.35 1qwv s ASN 67 Cb 0.00 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1qwv s ASN 67 CO 0.00 -1.08 0.26 0.18 -2.04 0.00 0.00 177.10 174.42 1qwv n LEU 68 N -2.38 -2.02 -4.58 3.54 7.99 -1.26 -4.61 117.00 113.68 1qwv n LEU 68 Ca 0.07 -0.12 -0.34 0.00 -0.01 0.00 0.00 56.01 55.61 1qwv n LEU 68 Cb 0.53 -1.81 -0.04 0.00 -0.11 0.00 0.00 43.42 42.00 1qwv n LEU 68 CO 0.51 0.08 1.69 0.00 -1.51 0.00 0.00 177.39 178.16 1qwv n HIS 69 N -3.93 3.48 -0.07 -1.77 1.44 -1.26 -4.63 115.22 108.48 1qwv n HIS 69 Ca -0.07 -2.00 -0.08 0.00 -2.01 0.00 0.00 57.72 53.56 1qwv n HIS 69 Cb 0.57 -2.63 -0.04 0.00 0.12 0.00 0.00 29.99 28.01 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 8.86 0.00 0.63 -1.40 2.07 -1.91 -3.36 115.15 120.05 1qwv h HIS 70 Ca 0.31 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.80 1qwv h HIS 70 Cb 0.91 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.90 1qwv h HIS 70 CO 1.29 0.38 -0.30 0.78 -3.07 0.00 0.00 177.93 177.01 1qwv h GLY 71 N -1.00 -0.88 1.92 6.13 0.00 -1.96 -2.22 103.07 105.05 1qwv h GLY 71 Ca -0.07 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1qwv h GLY 71 CO -0.05 -0.32 0.04 -0.57 0.00 0.00 0.00 176.54 175.64 1qwv h ASN 72 N -0.92 0.00 0.31 0.19 -1.24 -1.88 -1.11 115.58 110.93 1qwv h ASN 72 Ca -0.09 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.76 1qwv h ASN 72 Cb 0.65 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 1qwv h ASN 72 CO 0.14 0.00 -0.66 0.00 -1.29 0.00 0.00 177.43 175.62 1qwv h ALA 73 N 1.94 0.73 0.03 1.57 0.00 -1.61 0.93 119.26 122.85 1qwv h ALA 73 Ca 0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1qwv h ALA 73 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1qwv h ALA 73 CO -0.00 0.75 -1.01 0.87 0.00 0.00 0.00 179.25 179.86 1qwv h LYS 74 N 0.23 0.10 -0.69 0.00 1.79 -0.64 -2.04 116.57 115.31 1qwv h LYS 74 Ca -0.02 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.23 1qwv h LYS 74 Cb 1.20 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 1qwv h LYS 74 CO 0.11 1.02 0.13 0.22 -1.08 0.00 0.00 179.45 179.85 1qwv h ASP 75 N 0.04 1.08 -0.60 0.86 3.58 -1.25 -1.53 116.42 118.59 1qwv h ASP 75 Ca -0.04 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1qwv h ASP 75 Cb 1.73 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 42.46 1qwv h ASP 75 CO 0.14 1.06 0.31 0.15 -2.88 0.00 0.00 179.24 178.02 1qwv h PHE 76 N 1.06 0.86 -0.33 0.28 3.57 -0.68 0.17 116.94 121.87 1qwv h PHE 76 Ca 0.21 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.54 1qwv h PHE 76 Cb 0.42 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1qwv h PHE 76 CO 0.03 0.62 -0.39 0.00 -2.23 0.00 0.00 178.31 176.34 1qwv h ALA 77 N 1.47 0.50 0.00 2.41 0.00 -1.02 -0.74 119.26 121.89 1qwv h ALA 77 Ca 0.22 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qwv h ALA 77 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qwv h ALA 77 CO -0.03 0.60 0.00 0.52 0.00 0.00 0.00 179.25 180.34 1qwv h MET 78 N 0.64 0.00 0.00 0.00 2.86 -0.92 -2.24 114.93 115.28 1qwv h MET 78 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1qwv h MET 78 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1qwv h MET 78 CO 0.09 0.00 -0.82 1.17 1.06 0.00 0.00 176.91 178.41 1qwv n LYS 79 N -3.06 0.38 -3.46 1.72 3.00 0.56 -4.57 118.16 112.74 1qwv n LYS 79 Ca 0.02 0.08 -0.24 0.00 -0.00 0.00 0.00 58.31 58.17 1qwv n LYS 79 Cb 0.42 -1.70 -0.12 0.00 0.00 0.00 0.00 35.03 33.62 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1qwv s HIS 80 N -3.23 0.09 0.00 5.64 3.76 -0.30 -4.97 115.29 116.28 1qwv s HIS 80 Ca 0.04 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 1qwv s HIS 80 Cb 0.13 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1qwv s HIS 80 CO 0.76 -0.88 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 1qwv n GLY 81 N 4.85 2.64 3.75 -2.22 0.00 -1.25 -4.61 105.19 108.36 1qwv n GLY 81 Ca 0.02 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 3.50 0.75 4.61 0.00 -0.86 -4.58 121.76 125.17 1qwv s ALA 82 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1qwv s ALA 82 Cb 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 23.12 21.52 1qwv s ALA 82 CO 0.00 0.59 1.10 0.16 0.00 0.00 0.00 175.76 177.61 1qwv s ASP 83 N -0.90 4.79 0.52 0.00 -4.77 -1.26 -3.73 116.67 111.31 1qwv s ASP 83 Ca 0.14 0.71 0.30 0.00 -3.30 0.00 0.00 52.55 50.39 1qwv s ASP 83 Cb -0.12 -1.32 1.35 0.00 -1.09 0.00 0.00 42.92 41.75 1qwv s ASP 83 CO 0.03 -1.68 2.00 1.05 0.70 0.00 0.00 175.17 177.26 1qwv h GLU 84 N -0.80 0.00 0.00 2.11 4.11 -1.95 -1.63 114.58 116.42 1qwv h GLU 84 Ca -0.45 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.85 1qwv h GLU 84 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1qwv h GLU 84 CO 0.63 0.11 -0.62 0.00 0.07 0.00 0.00 179.01 179.20 1qwv h THR 85 N 0.00 1.39 0.15 -1.06 1.03 -1.97 0.20 112.91 112.65 1qwv h THR 85 Ca -0.00 -2.17 -0.35 0.00 -0.01 0.00 0.00 66.41 63.88 1qwv h THR 85 Cb 0.49 2.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.75 1qwv h THR 85 CO 0.01 0.61 -1.81 0.24 -0.01 0.00 0.00 175.52 174.57 1qwv h MET 86 N 0.00 0.31 -0.76 0.00 2.86 -1.69 -1.54 114.93 114.10 1qwv h MET 86 Ca -0.01 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1qwv h MET 86 Cb 1.14 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 1qwv h MET 86 CO 0.08 1.21 0.49 0.00 1.06 0.00 0.00 176.91 179.75 1qwv h ALA 87 N 0.20 1.43 0.00 6.32 0.00 -1.40 -0.78 119.26 125.03 1qwv h ALA 87 Ca -0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1qwv h ALA 87 Cb 2.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1qwv h ALA 87 CO 0.14 0.52 -0.16 1.96 0.00 0.00 0.00 179.25 181.71 1qwv h GLN 88 N 1.04 0.00 0.00 0.00 7.50 -0.60 0.10 115.11 123.14 1qwv h GLN 88 Ca 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.39 1qwv h GLN 88 Cb -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.43 1qwv h GLN 88 CO -0.06 0.16 -0.18 1.96 -1.50 0.00 0.00 178.83 179.21 1qwv h GLN 89 N 0.00 0.00 0.14 1.46 1.08 -0.41 -3.33 115.11 114.06 1qwv h GLN 89 Ca -0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 1qwv h GLN 89 Cb 0.98 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1qwv h GLN 89 CO 0.02 0.18 -1.88 1.25 -0.95 0.00 0.00 178.83 177.45 1qwv h LEU 90 N 0.00 0.47 -1.41 1.46 5.85 -0.42 -3.40 115.31 117.86 1qwv h LEU 90 Ca -0.00 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 57.89 1qwv h LEU 90 Cb 1.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1qwv h LEU 90 CO 0.02 1.78 0.46 -0.37 -0.34 0.00 0.00 178.44 180.00 1qwv h VAL 91 N 0.08 1.01 -0.42 1.05 -1.51 -0.93 -1.03 116.25 114.50 1qwv h VAL 91 Ca -0.38 -0.24 -0.12 0.00 -1.23 0.00 0.00 66.70 64.73 1qwv h VAL 91 Cb 2.06 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 1qwv h VAL 91 CO 0.12 0.13 -0.20 -2.24 -1.23 0.00 0.00 177.57 174.15 1qwv h ASP 92 N 0.71 0.85 -0.60 4.19 2.03 -1.77 0.42 116.42 122.24 1qwv h ASP 92 Ca 0.30 -0.30 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1qwv h ASP 92 Cb 0.27 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.51 1qwv h ASP 92 CO -0.10 1.03 0.03 0.40 -1.03 0.00 0.00 179.24 179.58 1qwv h ILE 93 N 0.73 1.26 -0.26 4.15 5.03 -1.59 -1.78 117.51 125.05 1qwv h ILE 93 Ca 0.10 -1.11 0.03 0.00 -0.12 0.00 0.00 64.86 63.76 1qwv h ILE 93 Cb 0.73 0.75 -0.03 0.00 -3.03 0.00 0.00 36.82 35.25 1qwv h ILE 93 CO 0.06 0.41 0.10 0.40 -0.68 0.00 0.00 178.15 178.43 1qwv h ILE 94 N 0.98 0.94 -0.20 -0.67 2.04 -0.03 0.41 117.51 120.98 1qwv h ILE 94 Ca 0.18 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.81 1qwv h ILE 94 Cb 0.52 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1qwv h ILE 94 CO 0.02 0.04 -0.52 0.45 0.00 0.00 0.00 178.15 178.14 1qwv h HIS 95 N 0.22 0.72 0.08 1.37 3.86 -0.93 -2.33 115.15 118.14 1qwv h HIS 95 Ca 0.11 -0.25 -0.20 0.00 -1.16 0.00 0.00 60.37 58.88 1qwv h HIS 95 Cb 0.07 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1qwv h HIS 95 CO -0.12 0.98 -0.98 0.78 0.86 0.00 0.00 177.93 179.44 1qwv h GLY 96 N 1.04 0.20 1.31 2.45 0.00 -0.85 -2.49 103.07 104.73 1qwv h GLY 96 Ca 0.01 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.65 1qwv h GLY 96 CO 0.10 0.44 -0.69 0.00 0.00 0.00 0.00 176.54 176.38 1qwv h GLU 98 N 0.49 1.09 -0.07 0.00 4.57 -1.53 0.15 114.58 119.27 1qwv h GLU 98 Ca -0.03 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 1qwv h GLU 98 Cb 1.29 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1qwv h GLU 98 CO 0.14 0.72 -0.61 -0.22 -1.18 0.00 0.00 179.01 177.85 1qwv h LYS 99 N 1.12 0.54 -0.61 1.92 1.63 -1.09 -3.29 116.57 116.78 1qwv h LYS 99 Ca 0.41 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1qwv h LYS 99 Cb 0.16 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1qwv h LYS 99 CO -0.15 1.12 0.00 0.43 -3.45 0.00 0.00 179.45 177.39 1qwv n SER 100 N -4.16 3.63 -4.73 4.20 7.64 0.12 -4.94 113.62 115.39 1qwv n SER 100 Ca -0.09 -2.31 -0.36 0.00 1.01 0.00 0.00 58.87 57.12 1qwv n SER 100 Cb 0.66 -0.49 0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -1.74 2.33 1.01 -0.43 0.00 0.50 -4.97 121.76 118.46 1qwv s ALA 101 Ca 0.38 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 1qwv s ALA 101 Cb 0.24 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 20.00 1qwv s ALA 101 CO 0.19 -1.59 0.74 -2.30 0.00 0.00 0.00 175.76 172.80 1qwv n PRO 102 N -2.10 -1.00 -0.06 0.00 -0.02 -1.26 -4.79 135.00 125.76 1qwv n PRO 102 Ca 0.14 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1qwv n PRO 102 Cb 0.49 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qwv n PRO 103 N -3.35 0.35 -3.99 0.52 -0.02 -1.26 -4.48 135.00 122.76 1qwv n PRO 103 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 1qwv n PRO 103 Cb 0.54 -1.33 -0.15 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.33 4.58 -0.84 2.55 -0.87 -1.26 -5.06 114.94 115.37 1qwv s ASN 104 Ca 0.00 -1.94 -0.25 0.00 -1.57 0.00 0.00 52.86 49.10 1qwv s ASN 104 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 41.25 39.77 1qwv s ASN 104 CO 0.00 -0.35 1.37 1.51 -2.57 0.00 0.00 177.10 177.06 1qwv s ASP 105 N 1.04 6.25 -0.54 -1.22 -4.77 -1.26 -4.95 116.67 111.22 1qwv s ASP 105 Ca 0.07 -0.80 -0.21 0.00 -3.30 0.00 0.00 52.55 48.30 1qwv s ASP 105 Cb -0.19 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.13 1qwv s ASP 105 CO -0.10 -1.75 0.79 -0.62 0.70 0.00 0.00 175.17 174.20 1qwv s ASP 106 N 4.39 6.26 0.00 2.11 -1.08 -1.26 -4.97 116.67 122.11 1qwv s ASP 106 Ca 0.41 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1qwv s ASP 106 Cb -0.05 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1qwv s ASP 106 CO 0.06 -1.10 0.36 1.17 0.52 0.00 0.00 175.17 176.18 1qwv n LYS 107 N 6.86 0.00 0.00 4.34 0.00 -1.26 -0.86 118.16 127.25 1qwv n LYS 107 Ca -0.03 0.36 0.11 0.00 0.00 0.00 0.00 58.31 58.75 1qwv n LYS 107 Cb 0.46 -0.64 0.02 0.00 0.00 0.00 0.00 35.03 34.87 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qwv h MET 109 N 0.00 0.00 -0.54 0.00 4.05 -1.61 -3.36 114.93 113.47 1qwv h MET 109 Ca 0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1qwv h MET 109 Cb 0.55 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.30 1qwv h MET 109 CO 0.00 0.00 0.23 1.57 0.23 0.00 0.00 176.91 178.94 1qwv h LYS 110 N 0.00 0.42 0.00 0.39 2.10 -1.21 0.35 116.57 118.62 1qwv h LYS 110 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1qwv h LYS 110 Cb 0.82 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1qwv h LYS 110 CO 0.00 0.28 0.09 -2.37 -2.00 0.00 0.00 179.45 175.45 1qwv n THR 111 N -4.95 1.09 -0.00 0.07 5.66 -1.26 -0.89 114.28 114.00 1qwv n THR 111 Ca 0.06 0.69 -0.18 0.00 -3.05 0.00 0.00 64.05 61.57 1qwv n THR 111 Cb 0.20 -1.69 -0.14 0.00 -1.55 0.00 0.00 70.33 67.15 1qwv n THR 111 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1qwv n ILE 112 N -2.02 1.73 -0.21 1.09 -0.00 0.12 -2.16 119.36 117.92 1qwv n ILE 112 Ca -0.01 -0.69 0.05 0.00 -0.00 0.00 0.00 62.75 62.09 1qwv n ILE 112 Cb 0.11 -1.54 0.31 0.00 -0.00 0.00 0.00 39.64 38.52 1qwv n ILE 112 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1qwv h ASP 113 N 0.05 0.76 0.49 4.38 1.82 -0.72 0.38 116.42 123.57 1qwv h ASP 113 Ca -0.39 -0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 55.96 1qwv h ASP 113 Cb 2.03 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 41.89 1qwv h ASP 113 CO 0.08 0.50 -1.27 -0.37 -1.61 0.00 0.00 179.24 176.58 1qwv h VAL 114 N 0.87 1.43 0.12 2.25 -1.51 -1.52 -2.22 116.25 115.67 1qwv h VAL 114 Ca 0.32 -2.88 -0.01 0.00 -1.23 0.00 0.00 66.70 62.90 1qwv h VAL 114 Cb 0.16 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 1qwv h VAL 114 CO -0.10 0.85 -0.06 0.00 -1.23 0.00 0.00 177.57 177.03 1qwv h ALA 115 N 0.48 -0.16 0.00 5.19 0.00 -0.81 -0.85 119.26 123.11 1qwv h ALA 115 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qwv h ALA 115 Cb 1.97 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1qwv h ALA 115 CO 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1qwv h MET 116 N -0.17 0.00 0.00 0.00 -0.00 -0.36 0.97 114.93 115.37 1qwv h MET 116 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 1qwv h MET 116 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.73 1qwv h MET 116 CO 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 176.91 176.78 1qwv h PHE 118 N 0.00 0.35 0.00 0.00 3.57 0.55 -2.37 116.94 119.04 1qwv h PHE 118 Ca -0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1qwv h PHE 118 Cb 0.78 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1qwv h PHE 118 CO 0.00 1.25 0.00 0.87 -2.23 0.00 0.00 178.31 178.20 1qwv h LYS 119 N -0.58 0.00 0.42 1.11 6.56 -1.49 0.22 116.57 122.80 1qwv h LYS 119 Ca -0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 1qwv h LYS 119 Cb 1.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.11 1qwv h LYS 119 CO 0.08 0.00 -0.20 -0.22 -2.06 0.00 0.00 179.45 177.05 1qwv h LYS 120 N 0.00 -0.54 0.07 3.15 1.63 -1.28 -0.57 116.57 119.03 1qwv h LYS 120 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1qwv h LYS 120 Cb 0.45 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1qwv h LYS 120 CO 0.00 -0.26 -0.08 0.93 -3.45 0.00 0.00 179.45 176.60 1qwv h GLU 121 N -0.79 -0.16 -0.69 1.90 4.39 -1.02 -2.37 114.58 115.83 1qwv h GLU 121 Ca -0.06 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.81 1qwv h GLU 121 Cb 0.54 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1qwv h GLU 121 CO 0.09 -0.11 0.47 0.97 -1.16 0.00 0.00 179.01 179.28 1qwv h ILE 122 N -0.17 0.77 -0.09 3.13 -0.00 -0.61 0.20 117.51 120.75 1qwv h ILE 122 Ca 0.01 -0.10 -0.13 0.00 -0.00 0.00 0.00 64.86 64.64 1qwv h ILE 122 Cb 0.17 0.46 -0.01 0.00 -0.00 0.00 0.00 36.82 37.43 1qwv h ILE 122 CO -0.03 0.05 -0.53 0.45 -0.00 0.00 0.00 178.15 178.09 1qwv h HIS 123 N 0.28 0.31 -0.06 2.19 3.86 -0.60 -2.35 115.15 118.79 1qwv h HIS 123 Ca 0.34 -0.11 -0.18 0.00 -1.16 0.00 0.00 60.37 59.26 1qwv h HIS 123 Cb 0.92 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 1qwv h HIS 123 CO -0.00 0.73 -0.74 -0.22 0.86 0.00 0.00 177.93 178.56 1qwv h LYS 124 N 0.20 0.35 0.00 2.45 1.63 -0.53 -3.01 116.57 117.65 1qwv h LYS 124 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1qwv h LYS 124 Cb 1.01 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1qwv h LYS 124 CO 0.08 0.94 0.00 1.28 -3.45 0.00 0.00 179.45 178.31 1qwv n LEU 125 N -3.81 0.00 -4.69 5.20 4.77 0.50 -4.79 117.00 114.18 1qwv n LEU 125 Ca -0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.56 1qwv n LEU 125 Cb 0.71 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 1qwv n LEU 125 CO 0.48 0.00 0.18 0.21 -1.33 0.00 0.00 177.39 176.93 1qwv s ASN 126 N -1.62 6.58 0.56 -1.43 3.04 -0.91 -5.02 114.94 116.15 1qwv s ASN 126 Ca 0.20 0.69 0.05 0.00 0.04 0.00 0.00 52.86 53.85 1qwv s ASN 126 Cb 0.09 -2.28 0.05 0.00 -1.54 0.00 0.00 41.25 37.58 1qwv s ASN 126 CO 0.16 -0.08 0.44 -1.66 -3.04 0.00 0.00 177.10 172.91 1qwv s TRP 127 N 1.16 1.48 -0.51 0.43 1.48 -1.26 -5.04 118.94 116.67 1qwv s TRP 127 Ca 0.24 -0.87 -0.17 0.00 -1.06 0.00 0.00 56.10 54.23 1qwv s TRP 127 Cb -0.15 -1.91 0.09 0.00 -1.16 0.00 0.00 33.47 30.34 1qwv s TRP 127 CO 0.09 -0.58 0.51 0.54 -4.06 0.00 0.00 176.95 173.46 1qwv s VAL 128 N -2.80 5.09 -0.07 -0.66 0.11 -1.26 -5.05 120.40 115.77 1qwv s VAL 128 Ca 0.34 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.06 1qwv s VAL 128 Cb -0.03 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.54 1qwv s VAL 128 CO 0.22 -0.78 0.99 -2.84 -3.33 0.00 0.00 175.10 169.36 1qwv s PRO 129 N 2.00 4.47 0.00 1.54 0.02 -1.26 -4.91 135.00 136.86 1qwv s PRO 129 Ca 0.07 1.39 0.23 0.00 0.02 0.00 0.00 61.00 62.71 1qwv s PRO 129 Cb -0.24 -3.51 0.63 0.00 0.02 0.00 0.00 34.50 31.39 1qwv s PRO 129 CO 0.07 -0.21 1.50 -1.71 -0.33 0.00 0.00 177.00 176.32 1qwv n ASN 130 N 4.57 2.32 -4.28 2.53 5.15 -1.26 -4.88 115.26 119.40 1qwv n ASN 130 Ca 0.07 -1.80 -0.17 0.00 -0.60 0.00 0.00 54.58 52.08 1qwv n ASN 130 Cb 0.50 -0.12 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 1qwv n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qwv s MET 131 N -1.76 1.15 -0.31 1.20 0.23 -1.26 -5.12 119.30 113.43 1qwv s MET 131 Ca 0.34 -1.44 0.00 0.00 -1.03 0.00 0.00 55.69 53.57 1qwv s MET 131 Cb 0.20 -0.91 0.14 0.00 -1.53 0.00 0.00 34.83 32.72 1qwv s MET 131 CO 0.29 0.15 0.29 0.16 -2.03 0.00 0.00 175.02 173.88 1qwv s ASP 132 N -2.99 1.82 -1.08 -1.18 -4.77 -1.26 -5.08 116.67 102.14 1qwv s ASP 132 Ca 0.16 -1.08 -0.13 0.00 -3.30 0.00 0.00 52.55 48.20 1qwv s ASP 132 Cb -0.01 0.38 0.20 0.00 -1.09 0.00 0.00 42.92 42.41 1qwv s ASP 132 CO 0.04 -0.36 1.19 -0.76 0.70 0.00 0.00 175.17 175.98 1qwv s LEU 133 N 2.05 5.69 -0.99 2.11 2.01 -1.26 -4.95 118.68 123.34 1qwv s LEU 133 Ca 0.12 -2.98 -0.20 0.00 0.01 0.00 0.00 54.13 51.08 1qwv s LEU 133 Cb -0.15 -2.31 0.11 0.00 0.01 0.00 0.00 46.19 43.84 1qwv s LEU 133 CO -0.25 -0.63 1.28 0.68 1.01 0.00 0.00 176.35 178.44 1qwv s VAL 134 N 0.68 4.47 -0.24 -1.59 -7.23 -1.26 -4.99 120.40 110.26 1qwv s VAL 134 Ca 0.34 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.99 1qwv s VAL 134 Cb -0.06 -4.89 -0.05 0.00 0.56 0.00 0.00 36.38 31.94 1qwv s VAL 134 CO -0.05 -1.67 0.14 -0.51 -0.31 0.00 0.00 175.10 172.69 1qwv s ILE 135 N 3.38 5.16 0.00 -0.62 -1.16 -1.26 -4.71 121.20 122.00 1qwv s ILE 135 Ca 0.38 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.64 1qwv s ILE 135 Cb -0.03 -3.40 0.00 0.00 0.61 0.00 0.00 42.46 39.64 1qwv s ILE 135 CO -0.08 0.35 0.00 0.61 -2.81 0.00 0.00 174.94 173.01 1qwv n GLY 136 N 4.30 0.00 3.60 1.50 0.00 -1.26 -5.12 105.19 108.21 1qwv n GLY 136 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1qwv n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qwv s GLU 137 N 0.00 3.59 -0.18 1.61 2.12 -1.26 -4.99 118.70 119.60 1qwv s GLU 137 Ca 0.00 0.73 -0.23 0.00 0.36 0.00 0.00 54.97 55.84 1qwv s GLU 137 Cb 0.00 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1qwv s GLU 137 CO 0.00 -1.55 0.72 0.08 -0.54 0.00 0.00 175.26 173.97 1qwv s VAL 138 N 5.15 4.97 -0.59 3.70 1.01 -1.26 -5.00 120.40 128.38 1qwv s VAL 138 Ca 0.55 1.39 -0.27 0.00 0.00 0.00 0.00 61.98 63.64 1qwv s VAL 138 Cb -0.11 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1qwv s VAL 138 CO 0.32 0.09 1.48 -0.22 0.00 0.00 0.00 175.10 176.76 1qwv s LEU 139 N 1.92 3.35 -0.78 3.92 2.96 -1.26 -4.93 118.68 123.86 1qwv s LEU 139 Ca 0.33 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1qwv s LEU 139 Cb -0.16 -2.90 0.19 0.00 0.50 0.00 0.00 46.19 43.82 1qwv s LEU 139 CO 0.12 -1.84 0.62 0.00 -1.32 0.00 0.00 176.35 173.93 1qwv s ALA 140 N 6.53 3.99 -0.22 5.97 0.00 -1.26 -4.81 121.76 131.95 1qwv s ALA 140 Ca 0.53 -3.75 0.08 0.00 0.00 0.00 0.00 51.96 48.82 1qwv s ALA 140 Cb -0.11 -2.55 -0.21 0.00 0.00 0.00 0.00 23.12 20.25 1qwv s ALA 140 CO 0.23 -2.12 -0.05 -0.85 0.00 0.00 0.00 175.76 172.97 1qwv n GLU 141 N 2.37 0.67 0.00 0.00 0.28 -1.26 -5.34 120.64 117.36 1qwv n GLU 141 Ca 0.19 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1qwv n GLU 141 Cb 0.36 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1qwv n GLU 141 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25