#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 -0.13 -1.46 0.11 -1.99 -3.28 132.00 125.25 1qwv h PRO 2 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1qwv h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1qwv h PRO 2 CO 0.00 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 178.50 1qwv h GLU 3 N 0.00 -0.17 0.00 1.05 4.39 -1.95 -1.34 114.58 116.57 1qwv h GLU 3 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1qwv h GLU 3 Cb 0.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1qwv h GLU 3 CO 0.00 -0.11 -0.07 1.51 -1.16 0.00 0.00 179.01 179.18 1qwv n ILE 4 N -3.73 0.04 0.20 3.13 0.13 -1.24 -2.91 119.36 114.97 1qwv n ILE 4 Ca -0.02 -0.02 0.08 0.00 -1.10 0.00 0.00 62.75 61.69 1qwv n ILE 4 Cb 0.14 -0.41 0.28 0.00 -0.84 0.00 0.00 39.64 38.81 1qwv n ILE 4 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1qwv h MET 5 N 0.00 0.00 -5.46 9.51 2.86 -1.48 -3.40 114.93 116.97 1qwv h MET 5 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 1qwv h MET 5 Cb 0.52 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.04 1qwv h MET 5 CO 0.00 0.28 0.12 0.15 1.06 0.00 0.00 176.91 178.52 1qwv s LYS 6 N -3.37 3.69 0.34 1.72 1.02 -0.56 -5.04 119.74 117.55 1qwv s LYS 6 Ca 0.03 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 1qwv s LYS 6 Cb 0.09 -3.80 -0.11 0.00 -0.52 0.00 0.00 37.83 33.49 1qwv s LYS 6 CO 0.67 -0.71 1.46 -0.80 -0.92 0.00 0.00 175.35 175.05 1qwv s ASN 7 N 1.78 6.47 0.28 2.83 0.01 -1.26 -4.87 114.94 120.17 1qwv s ASN 7 Ca 0.24 2.92 0.00 0.00 -0.71 0.00 0.00 52.86 55.31 1qwv s ASN 7 Cb -0.15 -2.65 0.52 0.00 0.41 0.00 0.00 41.25 39.38 1qwv s ASN 7 CO 0.14 -0.79 1.84 -0.07 -1.51 0.00 0.00 177.10 176.72 1qwv h LEU 8 N 3.56 0.95 -1.14 0.60 3.38 -1.92 -0.17 115.31 120.56 1qwv h LEU 8 Ca -0.49 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 1qwv h LEU 8 Cb 1.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1qwv h LEU 8 CO 0.68 0.53 -0.04 0.77 0.09 0.00 0.00 178.44 180.47 1qwv h SER 9 N 1.03 0.53 0.26 -0.43 4.64 -1.91 -0.78 113.55 116.89 1qwv h SER 9 Ca 0.48 -0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 1qwv h SER 9 Cb 0.42 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1qwv h SER 9 CO -0.25 0.62 -0.58 -1.13 -0.87 0.00 0.00 176.83 174.63 1qwv h ASN 10 N 0.53 0.37 0.24 4.97 -0.73 -1.40 0.63 115.58 120.20 1qwv h ASN 10 Ca 0.11 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 1qwv h ASN 10 Cb 0.40 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1qwv h ASN 10 CO 0.02 0.87 -0.12 0.78 -0.37 0.00 0.00 177.43 178.61 1qwv h ASN 11 N 0.25 -0.28 0.00 1.15 2.35 -0.69 -3.28 115.58 115.08 1qwv h ASN 11 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1qwv h ASN 11 Cb 1.09 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1qwv h ASN 11 CO 0.10 0.11 0.00 0.49 -1.65 0.00 0.00 177.43 176.48 1qwv n PHE 12 N -5.07 0.00 -3.50 1.19 3.72 -0.35 -4.87 117.46 108.58 1qwv n PHE 12 Ca -0.09 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 1qwv n PHE 12 Cb 0.25 -0.40 0.02 0.00 -0.94 0.00 0.00 39.48 38.41 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 -0.97 -0.51 0.07 1.37 0.00 0.21 -4.89 105.19 100.48 1qwv n GLY 13 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1qwv n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qwv h LYS 14 N -1.64 0.01 -0.99 1.61 1.57 -1.90 -3.46 116.57 111.78 1qwv h LYS 14 Ca -0.52 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1qwv h LYS 14 Cb 1.35 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.46 1qwv h LYS 14 CO 0.60 1.01 -0.31 0.00 -0.57 0.00 0.00 179.45 180.18 1qwv s ALA 15 N -2.24 -2.33 -0.21 3.86 0.00 -1.26 -4.99 121.76 114.59 1qwv s ALA 15 Ca -0.19 1.54 0.24 0.00 0.00 0.00 0.00 51.96 53.55 1qwv s ALA 15 Cb -0.02 -2.32 0.60 0.00 0.00 0.00 0.00 23.12 21.38 1qwv s ALA 15 CO 0.69 -1.52 1.70 0.52 0.00 0.00 0.00 175.76 177.14 1qwv h MET 16 N 8.00 0.00 -0.09 0.00 2.86 -1.96 -3.19 114.93 120.55 1qwv h MET 16 Ca -0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1qwv h MET 16 Cb 1.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1qwv h MET 16 CO 0.21 0.10 0.08 0.22 1.06 0.00 0.00 176.91 178.58 1qwv h ASP 17 N 0.00 0.00 1.22 1.22 3.58 -1.99 -1.25 116.42 119.19 1qwv h ASP 17 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1qwv h ASP 17 Cb 0.92 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1qwv h ASP 17 CO 0.01 0.00 -0.82 0.06 -2.88 0.00 0.00 179.24 175.61 1qwv h GLN 18 N 0.00 0.00 0.00 0.28 3.07 -1.98 -2.56 115.11 113.92 1qwv h GLN 18 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.64 1qwv h GLN 18 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 1qwv h GLN 18 CO -0.00 0.38 -0.67 0.00 0.09 0.00 0.00 178.83 178.63 1qwv h LYS 20 N 0.00 -0.39 -0.25 0.00 1.63 -1.05 -2.23 116.57 114.28 1qwv h LYS 20 Ca -0.01 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 1qwv h LYS 20 Cb 1.18 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1qwv h LYS 20 CO 0.09 -0.17 -0.23 0.22 -3.45 0.00 0.00 179.45 175.90 1qwv h ASP 21 N -0.54 0.63 -0.36 4.20 3.58 -1.48 -1.53 116.42 120.92 1qwv h ASP 21 Ca -0.04 -0.47 -0.14 0.00 0.42 0.00 0.00 57.03 56.80 1qwv h ASP 21 Cb 0.40 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1qwv h ASP 21 CO 0.07 0.97 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.76 1qwv h GLU 22 N 0.30 0.85 0.00 0.28 4.39 -1.48 -2.89 114.58 116.04 1qwv h GLU 22 Ca 0.04 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1qwv h GLU 22 Cb 0.79 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1qwv h GLU 22 CO 0.06 1.07 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.74 1qwv h LEU 23 N 0.64 0.00 -1.16 1.33 3.38 -1.46 -3.47 115.31 114.58 1qwv h LEU 23 Ca 0.06 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.59 1qwv h LEU 23 Cb 0.90 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.74 1qwv h LEU 23 CO 0.08 0.02 -0.73 -1.20 0.09 0.00 0.00 178.44 176.69 1qwv n SER 24 N -2.50 -4.52 -4.69 -0.43 7.64 -0.62 -4.88 113.62 103.63 1qwv n SER 24 Ca 0.04 -0.64 -0.44 0.00 1.01 0.00 0.00 58.87 58.84 1qwv n SER 24 Cb 0.47 -4.69 -0.04 0.00 -1.01 0.00 0.00 64.21 58.95 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qwv n LEU 25 N -4.67 3.56 -4.74 -3.43 4.77 -0.93 -4.96 117.00 106.60 1qwv n LEU 25 Ca -0.08 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.64 1qwv n LEU 25 Cb 0.59 -1.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.26 1qwv n LEU 25 CO 0.67 -0.04 0.75 -2.84 -1.33 0.00 0.00 177.39 174.60 1qwv s PRO 26 N 1.14 2.27 0.40 3.23 0.02 -1.26 -4.81 135.00 135.99 1qwv s PRO 26 Ca 0.77 1.52 0.09 0.00 0.02 0.00 0.00 61.00 63.40 1qwv s PRO 26 Cb -0.59 -1.87 0.87 0.00 0.02 0.00 0.00 34.50 32.92 1qwv s PRO 26 CO 0.35 -1.68 1.99 -0.44 -0.33 0.00 0.00 177.00 176.89 1qwv h ASP 27 N -0.45 0.52 -0.29 2.53 5.19 -2.00 -2.02 116.42 119.90 1qwv h ASP 27 Ca -0.46 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.82 1qwv h ASP 27 Cb 1.27 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1qwv h ASP 27 CO 0.51 0.34 -0.34 0.28 -3.12 0.00 0.00 179.24 176.90 1qwv h SER 28 N 0.59 0.80 0.14 6.45 0.02 -1.99 -2.58 113.55 116.99 1qwv h SER 28 Ca 0.26 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1qwv h SER 28 Cb 0.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1qwv h SER 28 CO -0.07 1.12 -0.07 0.58 -1.14 0.00 0.00 176.83 177.25 1qwv h VAL 29 N 0.48 0.93 -0.10 2.27 2.07 -1.75 -0.93 116.25 119.23 1qwv h VAL 29 Ca 0.04 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1qwv h VAL 29 Cb 0.92 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1qwv h VAL 29 CO 0.08 0.24 0.07 1.62 0.02 0.00 0.00 177.57 179.60 1qwv h VAL 30 N -0.83 1.00 0.19 2.57 3.04 -1.56 0.41 116.25 121.07 1qwv h VAL 30 Ca -0.02 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1qwv h VAL 30 Cb 0.54 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1qwv h VAL 30 CO 0.03 0.02 -0.09 0.00 -1.01 0.00 0.00 177.57 176.52 1qwv h ALA 31 N 1.94 -0.26 -0.19 3.17 0.00 -1.37 -2.40 119.26 120.16 1qwv h ALA 31 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1qwv h ALA 31 Cb 0.06 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qwv h ALA 31 CO -0.01 -0.52 -0.65 -0.44 0.00 0.00 0.00 179.25 177.64 1qwv h ASP 32 N -0.50 0.79 -0.18 0.00 3.32 -0.38 -2.89 116.42 116.58 1qwv h ASP 32 Ca -0.03 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1qwv h ASP 32 Cb 0.38 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1qwv h ASP 32 CO 0.04 1.23 0.08 0.17 -1.72 0.00 0.00 179.24 179.04 1qwv h LEU 33 N 0.50 0.29 0.00 1.55 8.10 -0.29 -1.82 115.31 123.65 1qwv h LEU 33 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1qwv h LEU 33 Cb 1.24 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1qwv h LEU 33 CO 0.13 0.28 0.00 -1.22 -4.11 0.00 0.00 178.44 173.52 1qwv n TYR 34 N -4.42 0.00 -1.96 0.17 4.01 -0.90 -4.80 117.16 109.25 1qwv n TYR 34 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1qwv n TYR 34 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1qwv n TYR 34 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1qwv s ASN 35 N -1.81 6.02 0.00 7.72 0.01 -0.69 -4.82 114.94 121.37 1qwv s ASN 35 Ca 0.02 1.55 0.29 0.00 -0.71 0.00 0.00 52.86 54.01 1qwv s ASN 35 Cb 0.01 -2.53 1.27 0.00 0.41 0.00 0.00 41.25 40.41 1qwv s ASN 35 CO 0.02 -1.57 1.88 0.49 -1.51 0.00 0.00 177.10 176.41 1qwv n PHE 36 N 9.75 0.00 -3.35 2.20 3.72 -1.26 -4.80 117.46 123.71 1qwv n PHE 36 Ca 0.22 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1qwv n PHE 36 Cb 0.46 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 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 -2.44 3.59 -1.33 1.38 0.51 -1.26 -4.97 118.94 114.43 1qwv s TRP 37 Ca 0.30 1.07 -0.08 0.00 -2.12 0.00 0.00 56.10 55.27 1qwv s TRP 37 Cb 0.20 -2.38 -0.04 0.00 -0.81 0.00 0.00 33.47 30.44 1qwv s TRP 37 CO 0.46 0.41 2.87 0.36 -0.51 0.00 0.00 176.95 180.54 1qwv n LYS 38 N 0.73 3.72 -0.33 4.98 2.85 -1.26 -4.75 118.16 124.10 1qwv n LYS 38 Ca -0.05 -2.43 0.26 0.00 -1.05 0.00 0.00 58.31 55.04 1qwv n LYS 38 Cb 0.52 -2.64 0.50 0.00 -0.65 0.00 0.00 35.03 32.75 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1qwv h ASP 39 N 4.60 0.34 -0.14 -5.58 1.82 -1.93 -3.45 116.42 112.08 1qwv h ASP 39 Ca 0.74 0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 57.58 1qwv h ASP 39 Cb 0.43 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1qwv h ASP 39 CO 1.50 -0.27 -0.03 0.47 -1.61 0.00 0.00 179.24 179.30 1qwv n ASP 40 N -5.17 -2.18 -4.29 2.28 8.00 -1.26 -5.05 116.55 108.87 1qwv n ASP 40 Ca 0.33 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.55 1qwv n ASP 40 Cb 1.08 -0.80 0.17 0.00 -0.02 0.00 0.00 41.12 41.54 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1qwv s TYR 41 N -2.06 1.80 -0.24 1.24 -0.85 -1.26 -5.04 117.35 110.93 1qwv s TYR 41 Ca 0.00 0.46 -0.11 0.00 -0.52 0.00 0.00 57.07 56.90 1qwv s TYR 41 Cb 0.00 -3.87 -0.05 0.00 0.38 0.00 0.00 41.96 38.42 1qwv s TYR 41 CO 0.00 -2.60 0.19 0.08 -1.52 0.00 0.00 175.55 171.70 1qwv s VAL 42 N -3.68 5.34 -0.93 -3.49 1.01 -1.26 -5.03 120.40 112.36 1qwv s VAL 42 Ca 0.71 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 1qwv s VAL 42 Cb -0.07 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1qwv s VAL 42 CO 0.53 0.32 1.46 -0.32 0.00 0.00 0.00 175.10 177.09 1qwv s MET 43 N 1.16 3.38 -0.13 2.72 1.75 -1.26 -4.74 119.30 122.17 1qwv s MET 43 Ca 0.09 -0.78 0.14 0.00 -1.25 0.00 0.00 55.69 53.88 1qwv s MET 43 Cb -0.14 -5.02 -0.24 0.00 2.84 0.00 0.00 34.83 32.28 1qwv s MET 43 CO 0.05 -2.31 0.33 0.25 -0.65 0.00 0.00 175.02 172.70 1qwv n THR 44 N 6.86 1.51 -2.26 10.11 -2.24 -1.26 -4.91 114.28 122.08 1qwv n THR 44 Ca 0.26 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1qwv n THR 44 Cb 0.50 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 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 -5.87 6.95 0.23 3.42 -1.08 -1.26 -4.91 116.67 114.15 1qwv s ASP 45 Ca -0.09 2.37 0.08 0.00 -0.52 0.00 0.00 52.55 54.39 1qwv s ASP 45 Cb 0.07 -2.61 0.22 0.00 -1.46 0.00 0.00 42.92 39.14 1qwv s ASP 45 CO 0.81 -0.47 1.53 0.03 0.52 0.00 0.00 175.17 177.59 1qwv h ARG 46 N 5.15 0.08 0.00 4.34 -0.00 -1.95 -2.54 114.38 119.45 1qwv h ARG 46 Ca -0.45 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 58.97 1qwv h ARG 46 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.20 1qwv h ARG 46 CO 0.75 0.74 0.00 -0.07 0.00 0.00 0.00 179.97 181.39 1qwv h LEU 47 N 0.05 0.00 0.00 3.04 -0.00 -1.97 -2.73 115.31 113.70 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 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1qwv h LEU 47 CO 0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 178.44 178.32 1qwv h ALA 48 N 2.30 0.01 -0.94 1.53 0.00 -1.82 -1.95 119.26 118.39 1qwv h ALA 48 Ca 0.00 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 54.92 1qwv h ALA 48 Cb 0.53 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.35 1qwv h ALA 48 CO 0.00 0.20 -0.02 0.41 0.00 0.00 0.00 179.25 179.84 1qwv n GLY 49 N 1.70 -1.32 0.28 0.00 0.00 -1.20 -0.74 105.19 103.90 1qwv n GLY 49 Ca -0.04 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 46.82 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 0.94 1.00 -0.83 0.00 0.00 -0.11 -2.36 119.26 117.91 1qwv h ALA 51 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1qwv h ALA 51 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1qwv h ALA 51 CO 0.03 0.00 0.54 0.82 0.00 0.00 0.00 179.25 180.64 1qwv h ILE 52 N 0.00 1.00 -2.42 0.00 1.08 -1.04 -3.34 117.51 112.79 1qwv h ILE 52 Ca 0.00 -0.29 -0.56 0.00 -0.39 0.00 0.00 64.86 63.62 1qwv h ILE 52 Cb 0.31 0.08 -0.38 0.00 -3.07 0.00 0.00 36.82 33.77 1qwv h ILE 52 CO 0.00 0.15 -0.87 0.21 -0.69 0.00 0.00 178.15 176.95 1qwv s ASN 53 N -6.05 2.21 -0.18 1.72 2.47 -0.89 -4.08 114.94 110.14 1qwv s ASN 53 Ca -0.10 -2.41 -0.06 0.00 0.42 0.00 0.00 52.86 50.71 1qwv s ASN 53 Cb 0.20 -0.28 -0.09 0.00 -1.45 0.00 0.00 41.25 39.63 1qwv s ASN 53 CO 0.79 -0.26 -0.21 0.00 -3.72 0.00 0.00 177.10 173.70 1qwv h LEU 55 N -0.45 0.52 0.00 0.00 6.46 -1.93 -2.26 115.31 117.65 1qwv h LEU 55 Ca -0.44 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 56.92 1qwv h LEU 55 Cb 1.47 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1qwv h LEU 55 CO -0.21 0.81 -0.08 0.00 -0.62 0.00 0.00 178.44 178.33 1qwv n ALA 56 N -2.41 2.41 0.09 1.25 0.00 -1.26 -2.19 120.51 118.40 1qwv n ALA 56 Ca -0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1qwv n ALA 56 Cb 0.34 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 1.50 0.00 0.00 2.02 -1.71 -3.19 112.91 111.52 1qwv h THR 57 Ca 0.00 -2.96 -0.02 0.00 0.77 0.00 0.00 66.41 64.21 1qwv h THR 57 Cb 0.67 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1qwv h THR 57 CO 0.00 0.86 -0.07 0.11 0.37 0.00 0.00 175.52 176.79 1qwv h LYS 58 N 0.10 0.00 0.28 6.66 1.57 -1.01 -3.32 116.57 120.84 1qwv h LYS 58 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1qwv h LYS 58 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1qwv h LYS 58 CO 0.19 0.07 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.94 1qwv h LEU 59 N 0.00 -0.32 -6.09 2.94 3.38 -1.45 -3.48 115.31 110.29 1qwv h LEU 59 Ca -0.00 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.24 1qwv h LEU 59 Cb 0.85 0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.44 1qwv h LEU 59 CO 0.01 -0.18 0.40 -0.62 0.09 0.00 0.00 178.44 178.14 1qwv s ASP 60 N -3.09 -0.17 -0.03 -0.43 2.15 -1.21 -5.07 116.67 108.81 1qwv s ASP 60 Ca -0.06 0.19 0.01 0.00 0.43 0.00 0.00 52.55 53.13 1qwv s ASP 60 Cb 0.01 1.18 0.04 0.00 -0.30 0.00 0.00 42.92 43.84 1qwv s ASP 60 CO 0.17 -0.03 0.48 0.55 -0.17 0.00 0.00 175.17 176.17 1qwv n VAL 61 N 4.93 0.00 -3.81 1.11 3.14 -1.26 -4.87 118.33 117.57 1qwv n VAL 61 Ca -0.07 -0.10 -0.36 0.00 -2.96 0.00 0.00 64.34 60.84 1qwv n VAL 61 Cb 0.55 0.31 -0.13 0.00 -1.06 0.00 0.00 33.84 33.51 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 3.77 -0.07 1.55 -7.23 -1.26 -4.09 120.40 113.09 1qwv s VAL 62 Ca 0.01 -0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 1qwv s VAL 62 Cb 0.04 -2.90 -0.15 0.00 0.56 0.00 0.00 36.38 33.93 1qwv s VAL 62 CO -0.01 0.16 0.76 -0.78 -0.31 0.00 0.00 175.10 174.92 1qwv h ASP 63 N 8.19 -0.14 0.00 4.85 3.58 -1.87 -3.48 116.42 127.54 1qwv h ASP 63 Ca -0.33 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 56.72 1qwv h ASP 63 Cb 1.13 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1qwv h ASP 63 CO 0.60 0.46 0.00 -0.81 -2.88 0.00 0.00 179.24 176.61 1qwv n PRO 64 N -4.87 3.19 0.00 0.28 -0.05 -1.26 -4.92 135.00 127.37 1qwv n PRO 64 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1qwv n PRO 64 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.71 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 0.01 0.00 3.54 8.00 -1.26 -4.84 116.55 122.00 1qwv n ASP 65 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.95 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 0.27 1.91 3.78 0.44 0.00 -1.26 -5.09 105.19 105.24 1qwv n GLY 66 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.13 5.45 -0.86 1.61 4.22 -1.26 -3.97 114.94 118.00 1qwv s ASN 67 Ca 0.00 2.05 -0.02 0.00 -2.14 0.00 0.00 52.86 52.75 1qwv s ASN 67 Cb 0.00 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1qwv s ASN 67 CO 0.00 -1.40 0.31 0.18 -2.04 0.00 0.00 177.10 174.15 1qwv n LEU 68 N -1.89 -2.12 -4.35 3.54 7.99 -1.26 -4.60 117.00 114.31 1qwv n LEU 68 Ca 0.11 -0.15 -0.36 0.00 -0.01 0.00 0.00 56.01 55.60 1qwv n LEU 68 Cb 0.52 -1.86 -0.04 0.00 -0.11 0.00 0.00 43.42 41.93 1qwv n LEU 68 CO 0.45 0.11 1.82 0.00 -1.51 0.00 0.00 177.39 178.27 1qwv n HIS 69 N -3.94 3.15 -0.05 -1.77 1.44 -1.25 -4.64 115.22 108.14 1qwv n HIS 69 Ca -0.07 -1.99 -0.02 0.00 -2.01 0.00 0.00 57.72 53.62 1qwv n HIS 69 Cb 0.57 -2.47 -0.01 0.00 0.12 0.00 0.00 29.99 28.21 1qwv n HIS 69 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1qwv h HIS 70 N 8.55 0.00 0.15 -1.40 6.17 -1.91 -3.27 115.15 123.44 1qwv h HIS 70 Ca 0.34 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.42 1qwv h HIS 70 Cb 0.85 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.78 1qwv h HIS 70 CO 1.29 0.00 -0.10 0.78 0.71 0.00 0.00 177.93 180.61 1qwv h GLY 71 N -0.83 -0.25 1.76 5.26 0.00 -1.96 -1.93 103.07 105.12 1qwv h GLY 71 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1qwv h GLY 71 CO 0.00 -0.11 0.09 -0.57 0.00 0.00 0.00 176.54 175.95 1qwv h ASN 72 N -0.26 0.00 0.07 0.19 -0.73 -1.85 0.52 115.58 113.52 1qwv h ASN 72 Ca -0.01 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.96 1qwv h ASN 72 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1qwv h ASN 72 CO 0.00 0.00 -0.73 0.00 -0.37 0.00 0.00 177.43 176.33 1qwv h ALA 73 N 1.93 0.49 0.04 1.57 0.00 -1.41 0.32 119.26 122.19 1qwv h ALA 73 Ca 0.05 -0.60 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 1qwv h ALA 73 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qwv h ALA 73 CO -0.00 0.72 -1.14 0.87 0.00 0.00 0.00 179.25 179.71 1qwv h LYS 74 N 0.40 0.07 -0.69 0.00 1.79 -1.06 -2.43 116.57 114.66 1qwv h LYS 74 Ca -0.04 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 1qwv h LYS 74 Cb 1.33 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.00 1qwv h LYS 74 CO 0.14 1.02 0.15 0.22 -1.08 0.00 0.00 179.45 179.90 1qwv h ASP 75 N 0.02 1.05 -0.08 0.86 3.58 -0.81 -1.72 116.42 119.33 1qwv h ASP 75 Ca -0.07 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 1qwv h ASP 75 Cb 1.85 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1qwv h ASP 75 CO 0.14 1.02 -0.03 0.15 -2.88 0.00 0.00 179.24 177.64 1qwv h PHE 76 N 1.04 0.29 -0.38 0.28 3.57 -0.31 -1.56 116.94 119.87 1qwv h PHE 76 Ca 0.21 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 1qwv h PHE 76 Cb 0.39 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1qwv h PHE 76 CO 0.03 0.33 -0.31 0.00 -2.23 0.00 0.00 178.31 176.13 1qwv h ALA 77 N 1.70 0.72 0.00 2.41 0.00 -0.92 -0.78 119.26 122.38 1qwv h ALA 77 Ca 0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1qwv h ALA 77 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qwv h ALA 77 CO 0.01 0.66 -0.36 0.52 0.00 0.00 0.00 179.25 180.08 1qwv h MET 78 N 0.71 0.00 0.00 0.00 2.86 -0.51 0.12 114.93 118.11 1qwv h MET 78 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1qwv h MET 78 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1qwv h MET 78 CO 0.08 0.36 -0.71 1.17 1.06 0.00 0.00 176.91 178.86 1qwv n LYS 79 N -3.78 0.15 -3.45 1.72 3.00 -0.67 -4.62 118.16 110.52 1qwv n LYS 79 Ca -0.01 0.02 -0.27 0.00 -0.00 0.00 0.00 58.31 58.05 1qwv n LYS 79 Cb 0.44 -1.57 -0.12 0.00 0.00 0.00 0.00 35.03 33.78 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 -3.09 0.50 0.00 5.64 3.76 -0.31 -4.97 115.29 116.81 1qwv s HIS 80 Ca 0.08 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 1qwv s HIS 80 Cb 0.16 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1qwv s HIS 80 CO 0.74 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1qwv n GLY 81 N 4.19 2.60 3.67 -2.22 0.00 -1.22 -4.55 105.19 107.66 1qwv n GLY 81 Ca 0.10 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 3.52 0.76 4.61 0.00 -0.02 -4.76 121.76 125.88 1qwv s ALA 82 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1qwv s ALA 82 Cb 0.00 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.27 1qwv s ALA 82 CO 0.00 -0.48 1.09 0.16 0.00 0.00 0.00 175.76 176.53 1qwv s ASP 83 N 1.13 4.51 0.16 0.00 -4.77 -1.26 -3.64 116.67 112.80 1qwv s ASP 83 Ca 0.29 0.47 -0.16 0.00 -3.30 0.00 0.00 52.55 49.85 1qwv s ASP 83 Cb -0.16 -1.00 0.09 0.00 -1.09 0.00 0.00 42.92 40.76 1qwv s ASP 83 CO 0.11 -1.82 1.71 -0.33 0.70 0.00 0.00 175.17 175.54 1qwv h GLU 84 N -0.83 0.14 -0.64 2.11 5.08 -1.97 -1.84 114.58 116.63 1qwv h GLU 84 Ca -0.44 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1qwv h GLU 84 Cb 1.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1qwv h GLU 84 CO 0.58 0.10 0.36 0.00 -1.00 0.00 0.00 179.01 179.05 1qwv h THR 85 N 0.15 1.19 0.22 1.13 1.03 -1.98 0.69 112.91 115.34 1qwv h THR 85 Ca 0.18 -0.45 -0.33 0.00 -0.01 0.00 0.00 66.41 65.80 1qwv h THR 85 Cb 0.23 0.31 0.03 0.00 -1.07 0.00 0.00 68.15 67.65 1qwv h THR 85 CO -0.27 0.20 -1.49 0.24 -0.01 0.00 0.00 175.52 174.20 1qwv h MET 86 N 0.88 0.47 -0.98 0.00 2.86 -1.73 -1.15 114.93 115.29 1qwv h MET 86 Ca 0.23 -0.80 0.02 0.00 -2.06 0.00 0.00 59.70 57.09 1qwv h MET 86 Cb -0.00 0.30 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1qwv h MET 86 CO -0.04 1.38 0.64 0.00 1.06 0.00 0.00 176.91 179.95 1qwv h ALA 87 N 0.23 1.33 0.00 6.32 0.00 -1.25 -1.43 119.26 124.46 1qwv h ALA 87 Ca -0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1qwv h ALA 87 Cb 2.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1qwv h ALA 87 CO 0.25 0.61 -0.36 1.96 0.00 0.00 0.00 179.25 181.70 1qwv h GLN 88 N 1.29 0.00 0.00 0.00 7.50 -0.62 0.34 115.11 123.62 1qwv h GLN 88 Ca 0.37 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.41 1qwv h GLN 88 Cb -0.10 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 1qwv h GLN 88 CO -0.09 0.36 -0.50 1.96 -1.50 0.00 0.00 178.83 179.06 1qwv h GLN 89 N 0.00 0.00 0.06 1.46 1.08 -0.62 -3.33 115.11 113.76 1qwv h GLN 89 Ca -0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.94 1qwv h GLN 89 Cb 0.90 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 1qwv h GLN 89 CO 0.05 0.50 -1.35 1.25 -0.95 0.00 0.00 178.83 178.33 1qwv h LEU 90 N 0.00 0.19 -1.34 1.46 5.85 -0.36 -3.38 115.31 117.73 1qwv h LEU 90 Ca -0.01 -0.72 0.08 0.00 0.84 0.00 0.00 57.88 58.07 1qwv h LEU 90 Cb 1.29 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1qwv h LEU 90 CO 0.07 1.56 0.50 -0.37 -0.34 0.00 0.00 178.44 179.86 1qwv h VAL 91 N -0.60 0.99 -0.49 1.05 -1.51 -0.50 -1.79 116.25 113.40 1qwv h VAL 91 Ca -0.33 -0.26 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 1qwv h VAL 91 Cb 1.55 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 1qwv h VAL 91 CO -0.06 0.14 0.04 -0.78 -1.23 0.00 0.00 177.57 175.67 1qwv h ASP 92 N 0.77 0.82 -0.78 4.19 3.58 -1.75 -1.11 116.42 122.13 1qwv h ASP 92 Ca 0.34 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1qwv h ASP 92 Cb 0.34 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1qwv h ASP 92 CO -0.12 0.90 0.41 0.40 -2.88 0.00 0.00 179.24 177.94 1qwv h ILE 93 N 0.71 1.24 -0.43 2.25 5.03 -1.52 -1.87 117.51 122.92 1qwv h ILE 93 Ca 0.14 -0.64 0.01 0.00 -0.12 0.00 0.00 64.86 64.25 1qwv h ILE 93 Cb 0.46 0.20 -0.02 0.00 -3.03 0.00 0.00 36.82 34.42 1qwv h ILE 93 CO 0.02 0.28 0.28 0.40 -0.68 0.00 0.00 178.15 178.45 1qwv h ILE 94 N 1.12 1.10 -0.21 -0.67 2.04 -0.61 0.12 117.51 120.40 1qwv h ILE 94 Ca 0.28 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 1qwv h ILE 94 Cb 0.07 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1qwv h ILE 94 CO -0.04 0.10 -0.35 0.45 0.00 0.00 0.00 178.15 178.32 1qwv h HIS 95 N 0.57 0.51 0.01 1.37 3.86 -0.89 -1.74 115.15 118.84 1qwv h HIS 95 Ca 0.16 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1qwv h HIS 95 Cb -0.06 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1qwv h HIS 95 CO -0.05 0.74 -0.33 0.78 0.86 0.00 0.00 177.93 179.93 1qwv h GLY 96 N 1.09 0.02 1.90 2.45 0.00 -0.89 -2.41 103.07 105.23 1qwv h GLY 96 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1qwv h GLY 96 CO 0.06 0.04 -0.68 0.00 0.00 0.00 0.00 176.54 175.96 1qwv h GLU 98 N 0.07 0.50 -0.42 0.00 5.08 -1.44 0.40 114.58 118.76 1qwv h GLU 98 Ca -0.01 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1qwv h GLU 98 Cb 1.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1qwv h GLU 98 CO 0.10 0.60 0.09 -0.22 -1.00 0.00 0.00 179.01 178.58 1qwv h LYS 99 N 0.46 0.68 -0.63 2.33 1.63 -0.88 -3.20 116.57 116.95 1qwv h LYS 99 Ca 0.09 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1qwv h LYS 99 Cb 0.46 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1qwv h LYS 99 CO 0.03 0.70 0.00 0.43 -3.45 0.00 0.00 179.45 177.16 1qwv n SER 100 N -4.52 3.76 -4.76 4.20 7.64 -0.15 -4.97 113.62 114.82 1qwv n SER 100 Ca -0.00 -1.99 -0.35 0.00 1.01 0.00 0.00 58.87 57.53 1qwv n SER 100 Cb 0.22 -0.42 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.08 2.61 0.92 -0.43 0.00 0.14 -5.00 121.76 118.93 1qwv s ALA 101 Ca 0.44 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1qwv s ALA 101 Cb 0.24 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 20.06 1qwv s ALA 101 CO 0.31 -0.99 0.91 -2.30 0.00 0.00 0.00 175.76 173.70 1qwv n PRO 102 N -1.51 -0.38 0.00 0.00 -0.02 -1.26 -4.83 135.00 127.00 1qwv n PRO 102 Ca 0.12 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1qwv n PRO 102 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1qwv n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qwv n PRO 103 N -3.38 0.67 -3.12 0.52 -0.04 -1.26 -4.55 135.00 123.85 1qwv n PRO 103 Ca 0.10 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.11 1qwv n PRO 103 Cb 0.52 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qwv s ASN 104 N 0.19 6.60 -0.84 3.54 -0.87 -1.26 -4.99 114.94 117.31 1qwv s ASN 104 Ca 0.00 -2.19 -0.25 0.00 -1.57 0.00 0.00 52.86 48.85 1qwv s ASN 104 Cb 0.00 -2.30 0.05 0.00 -0.02 0.00 0.00 41.25 38.97 1qwv s ASN 104 CO 0.00 -0.88 1.29 1.51 -2.57 0.00 0.00 177.10 176.46 1qwv s ASP 105 N 3.04 6.31 -0.16 -1.22 -4.77 -1.26 -4.86 116.67 113.74 1qwv s ASP 105 Ca 0.23 -0.95 -0.08 0.00 -3.30 0.00 0.00 52.55 48.45 1qwv s ASP 105 Cb -0.11 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.14 1qwv s ASP 105 CO -0.06 -1.64 0.11 -0.62 0.70 0.00 0.00 175.17 173.66 1qwv s ASP 106 N 4.15 6.07 0.00 2.11 -1.08 -1.26 -5.03 116.67 121.63 1qwv s ASP 106 Ca 0.37 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 1qwv s ASP 106 Cb -0.06 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1qwv s ASP 106 CO 0.04 0.26 0.42 1.17 0.52 0.00 0.00 175.17 177.58 1qwv n LYS 107 N 2.96 0.00 0.01 4.34 4.81 -1.26 -2.37 118.16 126.65 1qwv n LYS 107 Ca -0.18 0.42 0.07 0.00 -0.87 0.00 0.00 58.31 57.76 1qwv n LYS 107 Cb 0.53 -0.65 -0.12 0.00 0.02 0.00 0.00 35.03 34.81 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qwv h MET 109 N 0.00 0.00 -0.04 0.00 -1.53 -1.80 -2.99 114.93 108.57 1qwv h MET 109 Ca -0.08 0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.21 1qwv h MET 109 Cb 1.21 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.23 1qwv h MET 109 CO 0.01 0.00 -0.13 1.57 0.14 0.00 0.00 176.91 178.50 1qwv h LYS 110 N 0.00 -0.19 0.00 0.39 2.10 -1.69 0.32 116.57 117.50 1qwv h LYS 110 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1qwv h LYS 110 Cb 0.68 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1qwv h LYS 110 CO 0.00 -0.13 0.00 -2.37 -2.00 0.00 0.00 179.45 174.95 1qwv n THR 111 N -5.26 1.39 0.02 0.07 5.66 -1.13 -2.22 114.28 112.81 1qwv n THR 111 Ca -0.05 0.64 -0.22 0.00 -3.05 0.00 0.00 64.05 61.38 1qwv n THR 111 Cb 0.18 -1.64 -0.14 0.00 -1.55 0.00 0.00 70.33 67.18 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1qwv h ILE 112 N 0.00 0.72 -0.63 1.09 5.03 -0.48 -1.95 117.51 121.29 1qwv h ILE 112 Ca 0.00 -2.37 -0.03 0.00 -0.12 0.00 0.00 64.86 62.34 1qwv h ILE 112 Cb 0.01 2.56 -0.03 0.00 -3.03 0.00 0.00 36.82 36.33 1qwv h ILE 112 CO 0.00 0.86 0.28 -0.78 -0.68 0.00 0.00 178.15 177.83 1qwv h ASP 113 N 0.02 0.82 0.44 1.72 1.82 -0.61 0.27 116.42 120.90 1qwv h ASP 113 Ca -0.40 -0.10 -0.25 0.00 -0.39 0.00 0.00 57.03 55.90 1qwv h ASP 113 Cb 2.01 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 41.81 1qwv h ASP 113 CO 0.10 0.71 -1.08 -0.37 -1.61 0.00 0.00 179.24 176.99 1qwv h VAL 114 N 0.89 1.43 -0.06 2.25 -1.51 -1.60 -2.39 116.25 115.27 1qwv h VAL 114 Ca 0.22 -2.69 -0.00 0.00 -1.23 0.00 0.00 66.70 63.00 1qwv h VAL 114 Cb 0.13 2.65 -0.00 0.00 -2.13 0.00 0.00 31.29 31.94 1qwv h VAL 114 CO -0.02 0.80 0.03 0.00 -1.23 0.00 0.00 177.57 177.14 1qwv h ALA 115 N 0.65 0.08 0.00 5.19 0.00 -0.86 -1.16 119.26 123.17 1qwv h ALA 115 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qwv h ALA 115 Cb 1.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1qwv h ALA 115 CO 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1qwv h MET 116 N -0.01 0.00 -0.11 0.00 -0.00 -1.04 -1.17 114.93 112.60 1qwv h MET 116 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.61 1qwv h MET 116 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1qwv h MET 116 CO -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 176.91 176.47 1qwv h PHE 118 N 0.22 0.88 0.00 0.00 3.57 -0.07 -2.85 116.94 118.69 1qwv h PHE 118 Ca 0.02 -0.41 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 1qwv h PHE 118 Cb 0.87 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1qwv h PHE 118 CO 0.02 1.22 -0.24 1.57 -2.23 0.00 0.00 178.31 178.65 1qwv h LYS 119 N 0.41 0.00 0.50 1.11 5.09 -1.28 0.61 116.57 123.01 1qwv h LYS 119 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.65 1qwv h LYS 119 Cb 1.45 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.78 1qwv h LYS 119 CO 0.16 0.24 -0.24 0.87 -2.09 0.00 0.00 179.45 178.39 1qwv h LYS 120 N 0.00 -0.64 -0.85 0.07 6.56 -1.39 -2.14 116.57 118.18 1qwv h LYS 120 Ca -0.00 0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.66 1qwv h LYS 120 Cb 0.57 0.15 -0.05 0.00 -0.57 0.00 0.00 32.23 32.33 1qwv h LYS 120 CO 0.03 -0.34 0.55 0.93 -2.06 0.00 0.00 179.45 178.56 1qwv h GLU 121 N -0.90 1.05 -0.56 3.15 3.07 -1.24 -1.15 114.58 118.00 1qwv h GLU 121 Ca -0.07 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1qwv h GLU 121 Cb 0.60 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1qwv h GLU 121 CO 0.11 0.70 0.37 0.97 -1.40 0.00 0.00 179.01 179.76 1qwv h ILE 122 N 1.09 1.09 -0.01 3.13 -0.00 0.19 0.24 117.51 123.23 1qwv h ILE 122 Ca 0.33 -0.23 -0.13 0.00 -0.00 0.00 0.00 64.86 64.83 1qwv h ILE 122 Cb -0.03 0.35 -0.02 0.00 -0.00 0.00 0.00 36.82 37.13 1qwv h ILE 122 CO -0.10 0.12 -0.60 0.45 -0.00 0.00 0.00 178.15 178.02 1qwv h HIS 123 N 0.68 0.06 -0.08 2.19 3.86 -0.56 -1.51 115.15 119.78 1qwv h HIS 123 Ca 0.22 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.25 1qwv h HIS 123 Cb 0.03 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1qwv h HIS 123 CO -0.00 0.64 -0.65 -0.22 0.86 0.00 0.00 177.93 178.56 1qwv h LYS 124 N 0.03 0.31 -0.33 2.45 3.64 -0.15 -2.70 116.57 119.82 1qwv h LYS 124 Ca -0.01 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1qwv h LYS 124 Cb 1.08 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1qwv h LYS 124 CO 0.08 0.85 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.87 1qwv h LEU 125 N 0.23 0.58 0.00 5.20 3.38 -0.85 -3.47 115.31 120.38 1qwv h LEU 125 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1qwv h LEU 125 Cb 1.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qwv h LEU 125 CO 0.10 0.77 0.00 0.59 0.09 0.00 0.00 178.44 179.99 1qwv n ASN 126 N -4.16 0.00 -4.68 -0.43 3.02 -0.58 -4.80 115.26 103.63 1qwv n ASN 126 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1qwv n ASN 126 Cb 0.37 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 1qwv n ASN 126 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1qwv s TRP 127 N 0.00 3.21 0.17 3.10 0.52 -1.26 -4.92 118.94 119.76 1qwv s TRP 127 Ca 0.00 1.27 0.09 0.00 0.02 0.00 0.00 56.10 57.48 1qwv s TRP 127 Cb 0.00 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 1qwv s TRP 127 CO 0.00 -1.12 -0.19 0.14 0.02 0.00 0.00 176.95 175.80 1qwv s VAL 128 N 2.41 1.92 -0.80 4.03 -7.23 -1.26 -5.07 120.40 114.40 1qwv s VAL 128 Ca 0.54 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 1qwv s VAL 128 Cb -0.23 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1qwv s VAL 128 CO 0.19 -0.29 2.00 -2.84 -0.31 0.00 0.00 175.10 173.86 1qwv s PRO 129 N -2.80 2.44 0.00 4.82 0.02 -1.26 -4.61 135.00 133.60 1qwv s PRO 129 Ca 0.17 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.30 1qwv s PRO 129 Cb -0.06 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.62 1qwv s PRO 129 CO 0.07 -3.34 0.00 0.27 -0.33 0.00 0.00 177.00 173.67 1qwv n ASN 130 N 14.32 0.00 -4.07 2.53 6.94 -1.26 -2.70 115.26 131.01 1qwv n ASN 130 Ca 0.36 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.69 1qwv n ASN 130 Cb 0.48 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.75 1qwv n ASN 130 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1qwv s MET 131 N -2.00 1.24 -0.80 -3.83 -1.94 -1.26 -4.93 119.30 105.78 1qwv s MET 131 Ca 0.00 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 53.31 1qwv s MET 131 Cb 0.00 -1.14 0.09 0.00 2.01 0.00 0.00 34.83 35.79 1qwv s MET 131 CO 0.00 0.21 1.09 0.34 -0.01 0.00 0.00 175.02 176.65 1qwv s ASP 132 N -0.02 6.37 0.00 3.03 2.15 -1.26 -4.82 116.67 122.12 1qwv s ASP 132 Ca -0.00 -1.38 0.23 0.00 0.43 0.00 0.00 52.55 51.82 1qwv s ASP 132 Cb -0.08 -2.43 0.59 0.00 -0.30 0.00 0.00 42.92 40.70 1qwv s ASP 132 CO 0.01 -1.34 1.51 0.00 -0.17 0.00 0.00 175.17 175.18 1qwv n LEU 133 N 7.51 3.81 -4.40 -1.34 -0.00 -1.26 -4.77 117.00 116.55 1qwv n LEU 133 Ca 0.10 -1.84 -0.45 0.00 -0.00 0.00 0.00 56.01 53.82 1qwv n LEU 133 Cb 0.47 -0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 43.45 1qwv n LEU 133 CO 0.60 0.92 0.85 -0.69 -0.00 0.00 0.00 177.39 179.07 1qwv s VAL 134 N -1.14 5.27 -0.25 1.47 1.01 -1.26 -4.96 120.40 120.54 1qwv s VAL 134 Ca 0.47 -2.35 0.02 0.00 0.00 0.00 0.00 61.98 60.11 1qwv s VAL 134 Cb 0.25 -4.68 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1qwv s VAL 134 CO 0.33 -1.32 -0.10 -0.63 0.00 0.00 0.00 175.10 173.37 1qwv s ILE 135 N 1.04 2.33 0.29 2.22 1.09 -1.26 -4.87 121.20 122.04 1qwv s ILE 135 Ca 0.29 -1.45 0.00 0.00 -1.10 0.00 0.00 60.65 58.39 1qwv s ILE 135 Cb -0.07 -2.30 0.00 0.00 -1.06 0.00 0.00 42.46 39.03 1qwv s ILE 135 CO -0.07 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.44 1qwv n GLY 136 N 4.50 -1.48 2.99 6.18 0.00 -1.26 -5.10 105.19 111.03 1qwv n GLY 136 Ca -0.15 0.35 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1qwv n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qwv n GLU 137 N -3.16 -2.32 -1.83 1.61 4.71 -1.26 -4.81 120.64 113.59 1qwv n GLU 137 Ca 0.00 1.99 -0.43 0.00 -0.01 0.00 0.00 57.16 58.71 1qwv n GLU 137 Cb 0.00 -4.22 -0.03 0.00 -1.01 0.00 0.00 31.44 26.18 1qwv n GLU 137 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1qwv s VAL 138 N -1.88 3.29 -0.35 2.62 -7.23 -1.26 -4.96 120.40 110.63 1qwv s VAL 138 Ca 0.17 0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.65 1qwv s VAL 138 Cb -0.03 -3.29 0.07 0.00 0.56 0.00 0.00 36.38 33.69 1qwv s VAL 138 CO 0.69 -0.11 0.09 -0.22 -0.31 0.00 0.00 175.10 175.23 1qwv s LEU 139 N 5.73 4.48 0.00 1.32 2.96 -1.26 -5.10 118.68 126.82 1qwv s LEU 139 Ca 0.85 -1.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.20 1qwv s LEU 139 Cb -0.33 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.62 1qwv s LEU 139 CO 0.35 -0.38 0.23 0.00 -1.32 0.00 0.00 176.35 175.23 1qwv n ALA 140 N 4.61 0.44 -2.17 5.97 0.00 -1.26 -4.68 120.51 123.42 1qwv n ALA 140 Ca -0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.18 1qwv n ALA 140 Cb 0.43 0.40 -0.01 0.00 0.00 0.00 0.00 19.45 20.27 1qwv n ALA 140 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qwv n GLU 141 N -1.21 -1.12 0.00 0.00 2.13 -1.26 -5.34 120.64 113.84 1qwv n GLU 141 Ca 0.01 0.73 0.06 0.00 0.66 0.00 0.00 57.16 58.61 1qwv n GLU 141 Cb 0.30 -5.00 0.05 0.00 0.27 0.00 0.00 31.44 27.06 1qwv n GLU 141 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00