#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 -0.04 4.33 0.13 -2.04 -3.03 132.00 131.36 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 0.04 -0.05 0.93 -0.23 0.00 0.00 178.00 178.68 1qwv h GLU 3 N 0.00 -0.04 -0.00 0.86 3.07 -1.96 -1.44 114.58 115.07 1qwv h GLU 3 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qwv h GLU 3 Cb 0.31 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1qwv h GLU 3 CO 0.00 -0.02 -0.03 1.51 -1.40 0.00 0.00 179.01 179.07 1qwv n ILE 4 N -2.95 0.00 0.24 3.13 0.13 -1.22 -2.71 119.36 115.98 1qwv n ILE 4 Ca -0.00 -0.00 0.13 0.00 -1.10 0.00 0.00 62.75 61.78 1qwv n ILE 4 Cb 0.03 -0.45 0.44 0.00 -0.84 0.00 0.00 39.64 38.82 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 -5.93 9.51 2.86 -1.32 -3.38 114.93 116.67 1qwv h MET 5 Ca 0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 1qwv h MET 5 Cb 0.49 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1qwv h MET 5 CO 0.00 0.08 1.09 0.21 1.06 0.00 0.00 176.91 179.35 1qwv s LYS 6 N -3.48 2.97 0.11 1.72 2.20 -0.58 -4.96 119.74 117.72 1qwv s LYS 6 Ca 0.03 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1qwv s LYS 6 Cb 0.08 -5.04 -0.07 0.00 -1.51 0.00 0.00 37.83 31.29 1qwv s LYS 6 CO 0.61 -2.82 1.22 -0.80 -0.36 0.00 0.00 175.35 173.21 1qwv s ASN 7 N 6.66 7.05 0.16 1.43 0.01 -1.26 -4.94 114.94 124.06 1qwv s ASN 7 Ca 0.59 2.13 -0.15 0.00 -0.71 0.00 0.00 52.86 54.72 1qwv s ASN 7 Cb -0.05 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.12 1qwv s ASN 7 CO -0.01 -0.45 1.74 -0.07 -1.51 0.00 0.00 177.10 176.80 1qwv h LEU 8 N 6.24 0.11 -1.81 0.60 3.38 -1.92 -0.83 115.31 121.08 1qwv h LEU 8 Ca -0.43 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1qwv h LEU 8 Cb 1.21 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1qwv h LEU 8 CO 0.79 0.10 -0.09 0.28 0.09 0.00 0.00 178.44 179.61 1qwv h SER 9 N 0.27 0.00 0.28 -0.43 0.02 -1.92 0.66 113.55 112.43 1qwv h SER 9 Ca 0.19 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.92 1qwv h SER 9 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1qwv h SER 9 CO -0.21 0.09 -0.89 -1.13 -1.14 0.00 0.00 176.83 173.55 1qwv h ASN 10 N 0.00 0.56 0.15 3.07 -0.73 -1.63 -2.08 115.58 114.93 1qwv h ASN 10 Ca -0.00 -0.43 -0.01 0.00 1.87 0.00 0.00 56.30 57.73 1qwv h ASN 10 Cb 0.17 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1qwv h ASN 10 CO 0.01 1.22 -0.07 -1.13 -0.37 0.00 0.00 177.43 177.08 1qwv h ASN 11 N 0.26 -0.17 0.00 1.15 -0.00 -0.19 -3.35 115.58 113.28 1qwv h ASN 11 Ca -0.07 -0.31 0.00 0.00 -0.00 0.00 0.00 56.30 55.92 1qwv h ASN 11 Cb 1.52 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.88 1qwv h ASN 11 CO 0.16 0.25 0.00 0.49 -0.00 0.00 0.00 177.43 178.33 1qwv n PHE 12 N -4.99 0.00 -3.19 0.67 3.72 0.13 -4.89 117.46 108.92 1qwv n PHE 12 Ca -0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 1qwv n PHE 12 Cb 0.25 -0.10 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.77 -0.51 0.18 1.37 0.00 -0.78 -4.90 105.19 99.78 1qwv n GLY 13 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.26 0.64 -2.43 1.61 1.63 -1.90 -3.43 116.57 111.42 1qwv h LYS 14 Ca -0.49 -0.66 -0.42 0.00 -0.85 0.00 0.00 60.65 58.22 1qwv h LYS 14 Cb 1.33 0.18 -0.36 0.00 -0.60 0.00 0.00 32.23 32.79 1qwv h LYS 14 CO 0.56 1.26 -0.71 0.00 -3.45 0.00 0.00 179.45 177.11 1qwv s ALA 15 N -3.33 0.05 -0.10 5.00 0.00 -1.26 -5.00 121.76 117.11 1qwv s ALA 15 Ca -0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 1qwv s ALA 15 Cb 0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 23.12 21.27 1qwv s ALA 15 CO 0.89 -1.71 0.77 0.52 0.00 0.00 0.00 175.76 176.23 1qwv h MET 16 N 8.25 0.17 -0.05 0.00 2.86 -2.00 -3.13 114.93 121.03 1qwv h MET 16 Ca -0.15 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 1qwv h MET 16 Cb 1.04 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1qwv h MET 16 CO 0.37 1.14 -0.28 0.22 1.06 0.00 0.00 176.91 179.42 1qwv h ASP 17 N -0.62 0.08 1.10 1.22 3.58 -1.98 -0.15 116.42 119.64 1qwv h ASP 17 Ca -0.12 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 1qwv h ASP 17 Cb 1.41 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 1qwv h ASP 17 CO 0.07 0.36 -0.93 1.56 -2.88 0.00 0.00 179.24 177.42 1qwv h GLN 18 N 0.07 0.00 -0.02 0.28 4.20 -1.99 -0.93 115.11 116.72 1qwv h GLN 18 Ca 0.01 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 1qwv h GLN 18 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1qwv h GLN 18 CO 0.04 0.12 -0.87 0.00 -0.67 0.00 0.00 178.83 177.45 1qwv h LYS 20 N 0.22 0.57 -0.29 0.00 3.11 -0.85 -2.48 116.57 116.85 1qwv h LYS 20 Ca -0.06 -0.06 -0.18 0.00 -2.81 0.00 0.00 60.65 57.55 1qwv h LYS 20 Cb 1.48 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1qwv h LYS 20 CO 0.15 0.44 -0.51 0.22 -2.81 0.00 0.00 179.45 176.93 1qwv h ASP 21 N 0.54 0.96 -0.60 4.20 3.58 -1.23 -1.04 116.42 122.83 1qwv h ASP 21 Ca 0.15 -0.53 0.01 0.00 0.42 0.00 0.00 57.03 57.07 1qwv h ASP 21 Cb 0.02 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1qwv h ASP 21 CO -0.03 1.30 0.39 -0.08 -2.88 0.00 0.00 179.24 177.95 1qwv h GLU 22 N 0.64 0.79 -0.00 0.28 4.57 -1.11 -0.27 114.58 119.48 1qwv h GLU 22 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1qwv h GLU 22 Cb 1.12 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1qwv h GLU 22 CO 0.12 0.53 -0.36 1.28 -1.18 0.00 0.00 179.01 179.39 1qwv n LEU 23 N -4.67 0.54 -3.39 1.64 4.77 -0.96 -4.92 117.00 110.01 1qwv n LEU 23 Ca 0.04 0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.79 1qwv n LEU 23 Cb 0.02 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1qwv n LEU 23 CO 0.35 0.12 0.10 -1.20 -1.33 0.00 0.00 177.39 175.43 1qwv n SER 24 N -1.29 -5.76 -4.68 -1.43 7.64 -0.11 -4.87 113.62 103.12 1qwv n SER 24 Ca 0.08 -0.46 -0.49 0.00 1.01 0.00 0.00 58.87 59.00 1qwv n SER 24 Cb 0.33 -4.61 -0.05 0.00 -1.01 0.00 0.00 64.21 58.88 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 -4.43 3.24 -4.73 -3.43 4.32 -0.48 -4.96 117.00 106.52 1qwv n LEU 25 Ca -0.04 1.00 -0.33 0.00 -0.02 0.00 0.00 56.01 56.62 1qwv n LEU 25 Cb 0.58 -1.34 0.09 0.00 -1.62 0.00 0.00 43.42 41.12 1qwv n LEU 25 CO 0.58 -0.15 0.76 -2.84 -1.22 0.00 0.00 177.39 174.52 1qwv s PRO 26 N 3.55 2.23 0.45 3.23 0.02 -1.26 -4.80 135.00 138.43 1qwv s PRO 26 Ca 0.92 1.59 0.11 0.00 0.02 0.00 0.00 61.00 63.63 1qwv s PRO 26 Cb -0.74 -1.86 1.03 0.00 0.02 0.00 0.00 34.50 32.94 1qwv s PRO 26 CO 0.52 -1.73 2.08 0.38 -0.33 0.00 0.00 177.00 177.91 1qwv h ASP 27 N -0.42 0.23 -0.74 2.53 3.04 -1.99 -1.60 116.42 117.47 1qwv h ASP 27 Ca -0.47 -0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.26 1qwv h ASP 27 Cb 1.27 -0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 39.47 1qwv h ASP 27 CO 0.50 0.20 0.25 0.77 -2.04 0.00 0.00 179.24 178.92 1qwv h SER 28 N 0.26 1.06 0.11 4.15 4.64 -1.99 -2.26 113.55 119.52 1qwv h SER 28 Ca 0.07 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1qwv h SER 28 Cb 0.03 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1qwv h SER 28 CO -0.01 0.97 -0.05 0.58 -0.87 0.00 0.00 176.83 177.45 1qwv h VAL 29 N 1.09 0.70 -0.03 0.95 2.07 -1.68 -2.57 116.25 116.78 1qwv h VAL 29 Ca 0.24 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1qwv h VAL 29 Cb 0.28 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1qwv h VAL 29 CO -0.01 0.21 0.03 1.62 0.02 0.00 0.00 177.57 179.44 1qwv h VAL 30 N -0.96 0.86 0.08 2.57 3.04 -1.49 0.44 116.25 120.79 1qwv h VAL 30 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1qwv h VAL 30 Cb 0.46 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1qwv h VAL 30 CO 0.02 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.55 1qwv h ALA 31 N 1.98 -0.10 -0.44 3.17 0.00 -1.48 -2.10 119.26 120.29 1qwv h ALA 31 Ca 0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1qwv h ALA 31 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1qwv h ALA 31 CO -0.00 -0.32 0.04 0.22 0.00 0.00 0.00 179.25 179.19 1qwv h ASP 32 N -0.58 0.66 -0.93 0.00 3.58 -0.91 -1.64 116.42 116.59 1qwv h ASP 32 Ca -0.01 -0.13 0.10 0.00 0.42 0.00 0.00 57.03 57.41 1qwv h ASP 32 Cb 0.49 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.30 1qwv h ASP 32 CO 0.02 0.70 0.60 0.25 -2.88 0.00 0.00 179.24 177.93 1qwv h LEU 33 N 0.66 0.84 0.00 2.28 6.46 -0.14 -0.04 115.31 125.38 1qwv h LEU 33 Ca 0.14 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1qwv h LEU 33 Cb 0.36 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1qwv h LEU 33 CO 0.01 0.48 0.00 -1.22 -0.62 0.00 0.00 178.44 177.09 1qwv n TYR 34 N -4.55 0.00 -1.87 1.25 4.01 -0.62 -4.82 117.16 110.55 1qwv n TYR 34 Ca 0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 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 -1.18 5.57 0.35 7.72 2.47 -0.03 -4.82 114.94 125.03 1qwv s ASN 35 Ca 0.05 1.30 0.24 0.00 0.42 0.00 0.00 52.86 54.87 1qwv s ASN 35 Cb 0.02 -2.52 0.44 0.00 -1.45 0.00 0.00 41.25 37.74 1qwv s ASN 35 CO 0.04 -1.96 1.60 0.15 -3.72 0.00 0.00 177.10 173.20 1qwv h PHE 36 N 14.28 0.00 -3.28 0.43 3.57 -1.89 -3.44 116.94 126.62 1qwv h PHE 36 Ca -0.33 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.64 1qwv h PHE 36 Cb 1.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1qwv h PHE 36 CO 0.96 0.00 0.57 -1.58 -2.23 0.00 0.00 178.31 176.03 1qwv s TRP 37 N -3.19 3.43 -0.55 0.41 0.51 -1.26 -4.90 118.94 113.38 1qwv s TRP 37 Ca 0.07 1.32 -0.07 0.00 -2.12 0.00 0.00 56.10 55.30 1qwv s TRP 37 Cb 0.08 -3.44 -0.19 0.00 -0.81 0.00 0.00 33.47 29.11 1qwv s TRP 37 CO 0.66 -1.31 3.36 0.36 -0.51 0.00 0.00 176.95 179.51 1qwv n LYS 38 N 3.45 2.60 -0.32 4.98 2.85 -1.26 -4.65 118.16 125.81 1qwv n LYS 38 Ca 0.08 -1.48 0.20 0.00 -1.05 0.00 0.00 58.31 56.05 1qwv n LYS 38 Cb 0.46 -2.27 0.39 0.00 -0.65 0.00 0.00 35.03 32.96 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 3.65 0.15 -4.66 -5.58 3.58 -1.92 -3.46 116.42 108.17 1qwv h ASP 39 Ca 0.42 0.22 -0.15 0.00 0.42 0.00 0.00 57.03 57.94 1qwv h ASP 39 Cb 1.08 0.26 0.12 0.00 1.72 0.00 0.00 39.33 42.50 1qwv h ASP 39 CO 0.77 -0.22 -0.51 -0.67 -2.88 0.00 0.00 179.24 175.73 1qwv n ASP 40 N -5.21 -5.28 -4.92 2.28 2.03 -1.26 -5.05 116.55 99.14 1qwv n ASP 40 Ca 0.27 -0.43 -0.21 0.00 0.52 0.00 0.00 54.79 54.95 1qwv n ASP 40 Cb 0.88 -3.75 0.07 0.00 -0.72 0.00 0.00 41.12 37.60 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 -3.23 1.62 -0.11 -0.67 1.13 -1.26 -5.07 117.35 109.75 1qwv s TYR 41 Ca 0.27 -0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 55.14 1qwv s TYR 41 Cb -0.04 -2.48 -0.02 0.00 -1.10 0.00 0.00 41.96 38.32 1qwv s TYR 41 CO 0.51 -1.26 0.82 0.08 -2.51 0.00 0.00 175.55 173.19 1qwv s VAL 42 N -2.79 4.92 -0.49 -3.49 1.01 -1.26 -4.98 120.40 113.32 1qwv s VAL 42 Ca 0.63 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.98 1qwv s VAL 42 Cb -0.06 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1qwv s VAL 42 CO 0.40 0.11 1.96 -0.32 0.00 0.00 0.00 175.10 177.24 1qwv s MET 43 N 1.60 2.77 -0.13 2.72 1.75 -1.26 -4.80 119.30 121.95 1qwv s MET 43 Ca 0.40 1.06 0.18 0.00 -1.25 0.00 0.00 55.69 56.08 1qwv s MET 43 Cb -0.18 -4.36 -0.26 0.00 2.84 0.00 0.00 34.83 32.87 1qwv s MET 43 CO 0.16 -2.54 0.19 0.25 -0.65 0.00 0.00 175.02 172.43 1qwv n THR 44 N 7.44 0.86 -3.69 10.11 -2.24 -1.26 -4.92 114.28 120.58 1qwv n THR 44 Ca 0.24 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 1qwv n THR 44 Cb 0.51 -0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 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 -4.96 5.83 0.31 3.42 2.15 -1.26 -4.98 116.67 117.19 1qwv s ASP 45 Ca -0.09 -0.00 0.08 0.00 0.43 0.00 0.00 52.55 52.97 1qwv s ASP 45 Cb 0.08 -2.06 0.87 0.00 -0.30 0.00 0.00 42.92 41.51 1qwv s ASP 45 CO 0.78 0.01 1.70 0.08 -0.17 0.00 0.00 175.17 177.58 1qwv h ARG 46 N 7.92 0.46 0.00 4.34 -0.00 -1.91 -0.95 114.38 124.23 1qwv h ARG 46 Ca -0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.59 1qwv h ARG 46 Cb 1.18 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 1qwv h ARG 46 CO 0.60 0.30 0.00 -0.07 -0.00 0.00 0.00 179.97 180.80 1qwv h LEU 47 N 0.47 0.00 0.00 0.08 -0.00 -1.95 0.33 115.31 114.24 1qwv h LEU 47 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.51 1qwv h LEU 47 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1qwv h LEU 47 CO -0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 177.83 1qwv h ALA 48 N 2.02 0.00 -0.96 1.53 0.00 -1.55 -2.35 119.26 117.96 1qwv h ALA 48 Ca 0.00 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.04 1qwv h ALA 48 Cb 0.28 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.98 1qwv h ALA 48 CO 0.00 0.09 -0.10 0.41 0.00 0.00 0.00 179.25 179.65 1qwv n GLY 49 N 1.77 -1.44 0.25 0.00 0.00 -1.10 -1.18 105.19 103.49 1qwv n GLY 49 Ca -0.01 0.98 -0.11 0.00 0.00 0.00 0.00 46.02 46.87 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 0.87 1.28 -0.95 0.00 0.00 -0.57 -1.76 119.26 118.14 1qwv h ALA 51 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1qwv h ALA 51 Cb 0.63 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1qwv h ALA 51 CO 0.04 0.08 0.62 0.82 0.00 0.00 0.00 179.25 180.81 1qwv h ILE 52 N 0.00 1.12 -1.07 0.00 2.04 -1.26 -2.53 117.51 115.81 1qwv h ILE 52 Ca -0.00 -0.39 -0.61 0.00 1.00 0.00 0.00 64.86 64.86 1qwv h ILE 52 Cb 0.21 -0.12 -0.38 0.00 -0.74 0.00 0.00 36.82 35.78 1qwv h ILE 52 CO 0.01 0.21 -0.26 -0.46 0.00 0.00 0.00 178.15 177.64 1qwv n ASN 53 N -4.47 5.73 -0.13 1.72 6.94 -0.67 -4.41 115.26 119.97 1qwv n ASN 53 Ca 0.13 -3.76 -0.25 0.00 -0.02 0.00 0.00 54.58 50.68 1qwv n ASN 53 Cb 0.14 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qwv h LEU 55 N -0.64 -0.67 0.00 0.00 -0.00 -1.84 0.25 115.31 112.42 1qwv h LEU 55 Ca -0.63 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1qwv h LEU 55 Cb 1.70 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 1qwv h LEU 55 CO -0.28 -0.47 -0.17 0.00 -0.00 0.00 0.00 178.44 177.51 1qwv h ALA 56 N -0.40 0.90 0.15 1.53 0.00 -1.90 -2.41 119.26 117.13 1qwv h ALA 56 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1qwv h ALA 56 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qwv h ALA 56 CO 0.13 0.00 -1.47 1.15 0.00 0.00 0.00 179.25 179.06 1qwv h THR 57 N 0.00 1.06 0.00 0.00 2.02 -1.66 -3.27 112.91 111.05 1qwv h THR 57 Ca 0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1qwv h THR 57 Cb 0.83 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1qwv h THR 57 CO 0.00 0.76 0.00 0.11 0.37 0.00 0.00 175.52 176.76 1qwv h LYS 58 N -0.15 0.00 0.34 6.66 1.79 -0.50 -3.17 116.57 121.54 1qwv h LYS 58 Ca -0.30 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 1qwv h LYS 58 Cb 1.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 1qwv h LYS 58 CO 0.12 0.00 -0.16 1.25 -1.08 0.00 0.00 179.45 179.58 1qwv h LEU 59 N 0.00 -0.38 -6.17 2.94 6.46 -1.52 -3.48 115.31 113.15 1qwv h LEU 59 Ca 0.00 0.01 0.24 0.00 -0.12 0.00 0.00 57.88 58.01 1qwv h LEU 59 Cb 0.51 0.10 -0.26 0.00 -0.73 0.00 0.00 40.66 40.28 1qwv h LEU 59 CO 0.00 -0.23 0.43 -0.62 -0.62 0.00 0.00 178.44 177.39 1qwv s ASP 60 N -3.05 -0.22 -0.01 1.25 2.15 -1.20 -5.07 116.67 110.53 1qwv s ASP 60 Ca -0.07 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1qwv s ASP 60 Cb 0.01 1.24 0.01 0.00 -0.30 0.00 0.00 42.92 43.88 1qwv s ASP 60 CO 0.20 -0.04 0.28 0.55 -0.17 0.00 0.00 175.17 175.99 1qwv n VAL 61 N 4.75 0.00 -3.27 1.11 3.14 -1.25 -4.83 118.33 117.98 1qwv n VAL 61 Ca -0.07 -0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 60.88 1qwv n VAL 61 Cb 0.55 0.17 -0.08 0.00 -1.06 0.00 0.00 33.84 33.42 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 5.08 -0.03 1.55 -7.23 -1.26 -4.12 120.40 114.39 1qwv s VAL 62 Ca 0.00 0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 60.62 1qwv s VAL 62 Cb 0.01 -3.84 -0.17 0.00 0.56 0.00 0.00 36.38 32.94 1qwv s VAL 62 CO -0.00 0.02 1.08 -0.78 -0.31 0.00 0.00 175.10 175.11 1qwv h ASP 63 N 8.16 -0.18 0.00 4.85 3.58 -1.86 -3.48 116.42 127.49 1qwv h ASP 63 Ca -0.29 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.82 1qwv h ASP 63 Cb 1.14 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1qwv h ASP 63 CO 0.72 0.30 0.00 -0.81 -2.88 0.00 0.00 179.24 176.56 1qwv n PRO 64 N -4.96 3.39 0.00 0.28 -0.05 -1.26 -4.95 135.00 127.44 1qwv n PRO 64 Ca -0.08 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.46 1qwv n PRO 64 Cb 0.26 0.00 0.46 0.00 -0.05 0.00 0.00 33.50 34.18 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 5.75 -1.26 -4.79 116.55 119.79 1qwv n ASP 65 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1qwv n ASP 65 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qwv n GLY 66 N 0.28 1.33 3.91 6.12 0.00 -1.26 -5.12 105.19 110.45 1qwv n GLY 66 Ca 0.09 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 5.46 -0.99 1.61 4.22 -1.26 -4.41 114.94 119.57 1qwv s ASN 67 Ca 0.00 0.73 0.00 0.00 -2.14 0.00 0.00 52.86 51.45 1qwv s ASN 67 Cb 0.00 -1.65 0.00 0.00 1.28 0.00 0.00 41.25 40.88 1qwv s ASN 67 CO 0.00 -1.17 0.00 -0.11 -2.04 0.00 0.00 177.10 173.78 1qwv n LEU 68 N -2.68 -1.51 -4.05 3.54 -0.00 -1.26 -4.43 117.00 106.61 1qwv n LEU 68 Ca 0.05 -0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.67 1qwv n LEU 68 Cb 0.58 -1.84 -0.04 0.00 -0.00 0.00 0.00 43.42 42.12 1qwv n LEU 68 CO 0.53 -0.13 2.03 0.00 -0.00 0.00 0.00 177.39 179.82 1qwv n HIS 69 N -3.98 2.83 -0.09 1.96 1.44 -1.26 -4.60 115.22 111.51 1qwv n HIS 69 Ca -0.14 -2.07 -0.18 0.00 -2.01 0.00 0.00 57.72 53.32 1qwv n HIS 69 Cb 0.60 -2.25 -0.11 0.00 0.12 0.00 0.00 29.99 28.35 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 8.01 0.00 0.79 -1.40 2.07 -1.90 -3.35 115.15 119.37 1qwv h HIS 70 Ca 0.40 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.88 1qwv h HIS 70 Cb 0.77 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.76 1qwv h HIS 70 CO 1.30 1.21 -0.38 0.78 -3.07 0.00 0.00 177.93 177.77 1qwv h GLY 71 N -1.00 -1.10 1.26 6.13 0.00 -1.93 -2.60 103.07 103.83 1qwv h GLY 71 Ca -0.21 0.41 0.09 0.00 0.00 0.00 0.00 47.33 47.63 1qwv h GLY 71 CO -0.13 -0.40 0.28 3.43 0.00 0.00 0.00 176.54 179.73 1qwv h ASN 72 N -1.11 0.11 -0.22 0.19 2.35 -1.82 0.15 115.58 115.23 1qwv h ASN 72 Ca -0.11 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 1qwv h ASN 72 Cb 0.81 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1qwv h ASN 72 CO 0.18 0.07 -0.40 0.00 -1.65 0.00 0.00 177.43 175.63 1qwv h ALA 73 N 1.80 0.71 0.14 -0.83 0.00 -1.65 0.42 119.26 119.83 1qwv h ALA 73 Ca 0.19 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1qwv h ALA 73 Cb 0.59 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qwv h ALA 73 CO -0.02 0.66 -1.25 0.87 0.00 0.00 0.00 179.25 179.51 1qwv h LYS 74 N 0.62 0.31 -0.63 0.00 1.57 -0.95 -2.62 116.57 114.88 1qwv h LYS 74 Ca 0.05 -0.52 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 1qwv h LYS 74 Cb 0.95 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1qwv h LYS 74 CO 0.09 1.24 0.12 0.22 -0.57 0.00 0.00 179.45 180.55 1qwv h ASP 75 N 0.09 0.98 -0.67 0.86 3.58 -0.61 -1.48 116.42 119.17 1qwv h ASP 75 Ca -0.14 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.00 1qwv h ASP 75 Cb 1.97 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.73 1qwv h ASP 75 CO 0.21 0.98 0.23 0.15 -2.88 0.00 0.00 179.24 177.93 1qwv h PHE 76 N 0.94 1.07 -0.31 0.28 3.57 -0.18 -1.64 116.94 120.67 1qwv h PHE 76 Ca 0.19 -0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 1qwv h PHE 76 Cb 0.41 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1qwv h PHE 76 CO 0.03 0.84 -0.34 0.00 -2.23 0.00 0.00 178.31 176.62 1qwv h ALA 77 N 1.23 0.82 0.00 2.41 0.00 -1.19 -0.43 119.26 122.10 1qwv h ALA 77 Ca 0.23 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1qwv h ALA 77 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qwv h ALA 77 CO -0.01 0.64 -0.24 0.52 0.00 0.00 0.00 179.25 180.17 1qwv h MET 78 N 0.58 0.00 0.00 0.00 2.86 -0.97 -2.05 114.93 115.36 1qwv h MET 78 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1qwv h MET 78 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1qwv h MET 78 CO 0.07 0.24 -0.94 1.63 1.06 0.00 0.00 176.91 178.97 1qwv n LYS 79 N -3.31 0.27 -3.42 1.72 5.02 -0.64 -4.49 118.16 113.30 1qwv n LYS 79 Ca 0.01 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 1qwv n LYS 79 Cb 0.48 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.08 0.00 2.13 3.76 -0.19 -4.99 115.29 112.75 1qwv s HIS 80 Ca 0.05 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1qwv s HIS 80 Cb 0.14 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1qwv s HIS 80 CO 0.79 -0.91 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 1qwv n GLY 81 N 4.76 2.22 3.71 -2.22 0.00 -1.23 -4.50 105.19 107.94 1qwv n GLY 81 Ca 0.04 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.02 3.49 0.85 4.61 0.00 -0.79 -4.73 121.76 125.17 1qwv s ALA 82 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1qwv s ALA 82 Cb 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 23.12 21.43 1qwv s ALA 82 CO 0.00 0.41 1.22 0.16 0.00 0.00 0.00 175.76 177.55 1qwv s ASP 83 N -0.35 4.07 0.55 0.00 1.47 -1.26 -3.61 116.67 117.54 1qwv s ASP 83 Ca 0.09 0.60 0.31 0.00 1.18 0.00 0.00 52.55 54.74 1qwv s ASP 83 Cb -0.12 -0.96 1.59 0.00 -0.34 0.00 0.00 42.92 43.10 1qwv s ASP 83 CO 0.02 -2.16 2.11 1.05 0.68 0.00 0.00 175.17 176.86 1qwv h GLU 84 N -1.23 0.00 -0.02 2.11 -0.00 -1.95 0.76 114.58 114.26 1qwv h GLU 84 Ca -0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 58.76 1qwv h GLU 84 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.03 1qwv h GLU 84 CO 0.57 0.08 -0.67 0.00 -0.00 0.00 0.00 179.01 178.99 1qwv h THR 85 N 0.00 1.46 0.21 -1.06 1.03 -1.98 -1.23 112.91 111.34 1qwv h THR 85 Ca -0.00 -2.23 -0.31 0.00 -0.01 0.00 0.00 66.41 63.86 1qwv h THR 85 Cb 0.31 2.19 0.03 0.00 -1.07 0.00 0.00 68.15 69.61 1qwv h THR 85 CO 0.01 0.64 -1.42 0.24 -0.01 0.00 0.00 175.52 174.98 1qwv h MET 86 N 0.05 0.44 -0.28 0.00 2.86 -1.21 -1.72 114.93 115.07 1qwv h MET 86 Ca -0.01 -0.75 -0.03 0.00 -2.06 0.00 0.00 59.70 56.86 1qwv h MET 86 Cb 1.19 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 33.11 1qwv h MET 86 CO 0.09 1.36 0.06 0.00 1.06 0.00 0.00 176.91 179.48 1qwv h ALA 87 N 0.11 1.59 0.00 6.32 0.00 -1.41 -1.26 119.26 124.60 1qwv h ALA 87 Ca -0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1qwv h ALA 87 Cb 2.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1qwv h ALA 87 CO 0.21 0.31 -0.13 1.96 0.00 0.00 0.00 179.25 181.61 1qwv h GLN 88 N 0.40 0.00 0.00 0.00 7.50 -1.11 0.19 115.11 122.09 1qwv h GLN 88 Ca 0.10 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.15 1qwv h GLN 88 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1qwv h GLN 88 CO -0.00 0.13 -0.47 1.96 -1.50 0.00 0.00 178.83 178.95 1qwv h GLN 89 N 0.00 0.00 0.13 1.46 1.08 -0.31 -3.33 115.11 114.15 1qwv h GLN 89 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 1qwv h GLN 89 Cb 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1qwv h GLN 89 CO 0.02 0.47 -1.45 -0.07 -0.95 0.00 0.00 178.83 176.85 1qwv h LEU 90 N 0.00 0.44 -1.72 1.46 4.07 -0.79 -3.36 115.31 115.41 1qwv h LEU 90 Ca -0.00 -0.88 0.08 0.00 0.08 0.00 0.00 57.88 57.16 1qwv h LEU 90 Cb 1.25 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1qwv h LEU 90 CO 0.06 1.64 0.34 -0.37 -1.08 0.00 0.00 178.44 179.04 1qwv h VAL 91 N -0.22 0.91 -0.28 1.22 -1.51 -1.10 0.69 116.25 115.96 1qwv h VAL 91 Ca -0.30 -0.11 -0.06 0.00 -1.23 0.00 0.00 66.70 65.00 1qwv h VAL 91 Cb 1.83 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1qwv h VAL 91 CO 0.09 0.06 -0.05 -0.78 -1.23 0.00 0.00 177.57 175.66 1qwv h ASP 92 N 0.33 0.54 -0.33 4.19 3.58 -1.71 -0.88 116.42 122.13 1qwv h ASP 92 Ca 0.23 -0.35 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 1qwv h ASP 92 Cb 0.48 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1qwv h ASP 92 CO -0.05 0.76 -0.10 0.40 -2.88 0.00 0.00 179.24 177.37 1qwv h ILE 93 N 0.30 1.28 -0.45 2.25 5.03 -1.45 -2.48 117.51 121.99 1qwv h ILE 93 Ca 0.07 -1.16 0.08 0.00 -0.12 0.00 0.00 64.86 63.74 1qwv h ILE 93 Cb 0.52 1.35 -0.07 0.00 -3.03 0.00 0.00 36.82 35.59 1qwv h ILE 93 CO 0.02 0.38 0.00 0.40 -0.68 0.00 0.00 178.15 178.27 1qwv h ILE 94 N 0.42 0.66 -0.17 -0.67 2.04 -0.70 0.22 117.51 119.31 1qwv h ILE 94 Ca 0.08 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.73 1qwv h ILE 94 Cb 0.60 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1qwv h ILE 94 CO 0.04 0.02 -0.59 0.45 0.00 0.00 0.00 178.15 178.07 1qwv h HIS 95 N 0.11 0.73 0.11 1.37 3.86 -1.13 -2.23 115.15 117.98 1qwv h HIS 95 Ca 0.22 -0.27 -0.24 0.00 -1.16 0.00 0.00 60.37 58.92 1qwv h HIS 95 Cb 0.33 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1qwv h HIS 95 CO -0.29 1.02 -1.20 0.78 0.86 0.00 0.00 177.93 179.10 1qwv h GLY 96 N 1.04 0.28 1.08 2.45 0.00 -0.94 -2.54 103.07 104.43 1qwv h GLY 96 Ca -0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 47.33 46.44 1qwv h GLY 96 CO 0.11 0.62 -0.58 0.00 0.00 0.00 0.00 176.54 176.69 1qwv h GLU 98 N 0.49 1.04 -0.25 0.00 4.81 -1.54 0.19 114.58 119.31 1qwv h GLU 98 Ca -0.01 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 1qwv h GLU 98 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1qwv h GLU 98 CO 0.12 0.89 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.84 1qwv h LYS 99 N 1.00 0.47 -0.33 1.92 3.64 -1.35 -2.78 116.57 119.14 1qwv h LYS 99 Ca 0.22 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1qwv h LYS 99 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1qwv h LYS 99 CO -0.01 0.68 0.00 0.43 -2.27 0.00 0.00 179.45 178.29 1qwv n SER 100 N -4.13 2.79 -4.80 4.20 7.64 -0.31 -4.95 113.62 114.06 1qwv n SER 100 Ca -0.00 -1.90 -0.34 0.00 1.01 0.00 0.00 58.87 57.64 1qwv n SER 100 Cb 0.40 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.58 2.97 0.45 -0.43 0.00 0.61 -5.02 121.76 118.78 1qwv s ALA 101 Ca 0.36 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 1qwv s ALA 101 Cb 0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1qwv s ALA 101 CO 0.29 -0.10 1.28 -2.14 0.00 0.00 0.00 175.76 175.10 1qwv s PRO 102 N -3.10 3.70 0.00 0.00 0.02 -1.26 -4.87 135.00 129.49 1qwv s PRO 102 Ca 0.64 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1qwv s PRO 102 Cb -0.14 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1qwv s PRO 102 CO 0.18 -0.69 1.04 -2.30 -0.33 0.00 0.00 177.00 174.90 1qwv n PRO 103 N -0.32 0.67 -2.45 5.54 -0.02 -1.26 -4.79 135.00 132.36 1qwv n PRO 103 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 1qwv n PRO 103 Cb 0.45 -1.17 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 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 1.55 6.55 -0.82 2.55 0.01 -1.26 -4.93 114.94 118.59 1qwv s ASN 104 Ca 0.00 0.88 -0.26 0.00 -0.71 0.00 0.00 52.86 52.77 1qwv s ASN 104 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1qwv s ASN 104 CO 0.00 -1.24 1.47 -0.62 -1.51 0.00 0.00 177.10 175.19 1qwv s ASP 105 N 3.07 6.05 -0.28 -1.22 2.15 -1.26 -4.85 116.67 120.33 1qwv s ASP 105 Ca 0.55 -0.66 -0.02 0.00 0.43 0.00 0.00 52.55 52.86 1qwv s ASP 105 Cb -0.13 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.05 1qwv s ASP 105 CO 0.28 -1.89 0.22 -0.62 -0.17 0.00 0.00 175.17 172.99 1qwv s ASP 106 N 5.06 2.43 0.32 -0.34 -1.08 -1.26 -5.06 116.67 116.74 1qwv s ASP 106 Ca 0.46 -0.94 0.06 0.00 -0.52 0.00 0.00 52.55 51.61 1qwv s ASP 106 Cb -0.06 0.14 0.89 0.00 -1.46 0.00 0.00 42.92 42.43 1qwv s ASP 106 CO 0.07 -0.41 1.58 0.07 0.52 0.00 0.00 175.17 177.01 1qwv h LYS 107 N 8.33 0.03 0.00 4.34 2.10 -2.02 -0.71 116.57 128.63 1qwv h LYS 107 Ca -0.16 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.36 1qwv h LYS 107 Cb 1.05 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1qwv h LYS 107 CO 0.37 0.02 -1.15 0.00 -2.00 0.00 0.00 179.45 176.69 1qwv h MET 109 N 0.00 0.00 -0.70 0.00 2.86 -1.48 -2.98 114.93 112.63 1qwv h MET 109 Ca -0.10 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1qwv h MET 109 Cb 1.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.07 1qwv h MET 109 CO 0.04 0.47 0.46 1.57 1.06 0.00 0.00 176.91 180.51 1qwv h LYS 110 N 0.00 0.92 0.00 1.72 5.09 -1.57 0.13 116.57 122.86 1qwv h LYS 110 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.68 1qwv h LYS 110 Cb 1.10 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 33.23 1qwv h LYS 110 CO 0.06 0.62 0.07 2.41 -2.09 0.00 0.00 179.45 180.52 1qwv n THR 111 N -4.59 0.92 0.00 0.07 -1.04 -1.13 -1.32 114.28 107.20 1qwv n THR 111 Ca 0.06 0.74 -0.19 0.00 -2.04 0.00 0.00 64.05 62.63 1qwv n THR 111 Cb 0.02 -1.74 -0.14 0.00 -1.82 0.00 0.00 70.33 66.65 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1qwv h ILE 112 N 0.00 0.69 -0.41 12.58 5.03 -0.83 -2.41 117.51 132.15 1qwv h ILE 112 Ca 0.00 -2.42 0.00 0.00 -0.12 0.00 0.00 64.86 62.32 1qwv h ILE 112 Cb 0.15 2.51 -0.02 0.00 -3.03 0.00 0.00 36.82 36.42 1qwv h ILE 112 CO 0.00 0.82 0.27 -0.78 -0.68 0.00 0.00 178.15 177.78 1qwv h ASP 113 N 0.06 0.48 0.29 1.72 1.82 -0.66 0.12 116.42 120.25 1qwv h ASP 113 Ca -0.39 -0.01 -0.33 0.00 -0.39 0.00 0.00 57.03 55.90 1qwv h ASP 113 Cb 2.03 -0.12 0.03 0.00 0.68 0.00 0.00 39.33 41.96 1qwv h ASP 113 CO 0.09 0.35 -1.49 -0.37 -1.61 0.00 0.00 179.24 176.21 1qwv h VAL 114 N 0.56 1.27 -0.03 2.25 -1.51 -1.48 -2.59 116.25 114.71 1qwv h VAL 114 Ca 0.15 -2.72 -0.00 0.00 -1.23 0.00 0.00 66.70 62.90 1qwv h VAL 114 Cb -0.06 3.01 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1qwv h VAL 114 CO -0.03 0.82 0.02 0.00 -1.23 0.00 0.00 177.57 177.15 1qwv h ALA 115 N 0.19 0.04 0.00 5.19 0.00 -0.88 0.10 119.26 123.91 1qwv h ALA 115 Ca -0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1qwv h ALA 115 Cb 2.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1qwv h ALA 115 CO 0.26 -0.44 -0.23 0.00 0.00 0.00 0.00 179.25 178.84 1qwv h MET 116 N 0.01 0.00 0.00 0.00 -0.00 -0.92 -1.66 114.93 112.37 1qwv h MET 116 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.67 1qwv h MET 116 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1qwv h MET 116 CO -0.00 0.23 -0.19 0.00 -0.00 0.00 0.00 176.91 176.95 1qwv h PHE 118 N 0.00 0.42 0.00 0.00 3.57 -0.05 -1.66 116.94 119.22 1qwv h PHE 118 Ca -0.00 -0.30 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 1qwv h PHE 118 Cb 0.70 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1qwv h PHE 118 CO 0.00 1.22 -0.41 1.57 -2.23 0.00 0.00 178.31 178.46 1qwv h LYS 119 N -0.51 0.00 0.08 1.11 2.10 -1.38 0.90 116.57 118.87 1qwv h LYS 119 Ca -0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1qwv h LYS 119 Cb 1.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.79 1qwv h LYS 119 CO 0.11 0.41 -0.06 0.87 -2.00 0.00 0.00 179.45 178.78 1qwv h LYS 120 N 0.00 -0.14 0.31 0.07 6.56 -1.05 0.33 116.57 122.66 1qwv h LYS 120 Ca -0.00 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qwv h LYS 120 Cb 0.78 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.45 1qwv h LYS 120 CO 0.05 -0.09 -0.26 1.49 -2.06 0.00 0.00 179.45 178.58 1qwv h GLU 121 N -0.14 -0.57 -0.37 3.15 4.57 -0.77 -1.00 114.58 119.46 1qwv h GLU 121 Ca -0.00 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1qwv h GLU 121 Cb 0.12 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1qwv h GLU 121 CO 0.00 -0.38 0.25 0.97 -1.18 0.00 0.00 179.01 178.67 1qwv h ILE 122 N -0.59 0.96 -0.02 2.32 -0.00 -0.83 -0.40 117.51 118.96 1qwv h ILE 122 Ca -0.02 -0.10 -0.12 0.00 -0.00 0.00 0.00 64.86 64.62 1qwv h ILE 122 Cb 0.52 0.66 -0.02 0.00 -0.00 0.00 0.00 36.82 37.98 1qwv h ILE 122 CO -0.02 0.05 -0.56 0.45 -0.00 0.00 0.00 178.15 178.07 1qwv h HIS 123 N 0.28 0.07 -0.07 2.19 3.86 -0.45 -1.18 115.15 119.85 1qwv h HIS 123 Ca 0.16 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1qwv h HIS 123 Cb 0.29 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1qwv h HIS 123 CO -0.00 0.60 -0.63 -0.22 0.86 0.00 0.00 177.93 178.55 1qwv h LYS 124 N 0.04 0.26 -0.60 2.45 1.63 0.25 -2.72 116.57 117.88 1qwv h LYS 124 Ca -0.00 -0.19 -0.10 0.00 -0.85 0.00 0.00 60.65 59.51 1qwv h LYS 124 Cb 1.00 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1qwv h LYS 124 CO 0.08 0.80 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.79 1qwv h LEU 125 N 0.19 1.06 0.00 5.20 3.38 -1.18 -3.45 115.31 120.51 1qwv h LEU 125 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qwv h LEU 125 Cb 1.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1qwv h LEU 125 CO 0.10 1.12 0.00 -3.20 0.09 0.00 0.00 178.44 176.54 1qwv n ASN 126 N -4.17 0.00 -4.55 -0.43 5.15 -0.46 -4.47 115.26 106.32 1qwv n ASN 126 Ca 0.03 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.60 1qwv n ASN 126 Cb 0.36 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.58 1qwv n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1qwv s TRP 127 N 0.00 2.15 -0.26 1.20 -2.14 -1.26 -4.93 118.94 113.70 1qwv s TRP 127 Ca 0.00 0.14 -0.03 0.00 2.66 0.00 0.00 56.10 58.88 1qwv s TRP 127 Cb 0.00 -4.51 0.09 0.00 -3.10 0.00 0.00 33.47 25.95 1qwv s TRP 127 CO 0.00 -2.12 0.09 0.54 -2.66 0.00 0.00 176.95 172.80 1qwv s VAL 128 N 6.44 0.44 0.23 -0.66 0.11 -1.26 -5.13 120.40 120.57 1qwv s VAL 128 Ca 0.42 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1qwv s VAL 128 Cb -0.09 -1.22 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 1qwv s VAL 128 CO 0.16 -0.54 1.09 -2.84 -3.33 0.00 0.00 175.10 169.65 1qwv s PRO 129 N 1.86 4.63 0.27 1.54 0.02 -1.26 -5.05 135.00 137.01 1qwv s PRO 129 Ca 0.06 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.74 1qwv s PRO 129 Cb -0.17 -3.23 -0.07 0.00 0.02 0.00 0.00 34.50 31.05 1qwv s PRO 129 CO -0.23 0.16 0.58 0.54 -0.33 0.00 0.00 177.00 177.73 1qwv s ASN 130 N -0.53 6.58 0.00 2.53 2.20 -1.26 -4.98 114.94 119.47 1qwv s ASN 130 Ca 0.47 0.91 0.27 0.00 -0.94 0.00 0.00 52.86 53.57 1qwv s ASN 130 Cb -0.30 -2.22 0.95 0.00 -2.00 0.00 0.00 41.25 37.67 1qwv s ASN 130 CO 0.38 -0.14 1.70 1.15 -2.94 0.00 0.00 177.10 177.24 1qwv n MET 131 N -0.47 0.33 -1.59 3.55 0.00 -1.26 -5.02 117.12 112.67 1qwv n MET 131 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.57 1qwv n MET 131 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.25 1qwv n MET 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1qwv n ASP 132 N -1.21 -6.53 -3.64 3.17 8.00 -1.26 -4.80 116.55 110.28 1qwv n ASP 132 Ca 0.10 0.95 -0.41 0.00 0.71 0.00 0.00 54.79 56.14 1qwv n ASP 132 Cb 0.32 -3.62 -0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1qwv n ASP 132 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qwv n LEU 133 N 1.21 7.44 -4.59 0.64 4.32 -1.26 -4.93 117.00 119.83 1qwv n LEU 133 Ca 0.00 -4.58 -0.42 0.00 -0.02 0.00 0.00 56.01 50.98 1qwv n LEU 133 Cb 0.00 -1.49 -0.02 0.00 -1.62 0.00 0.00 43.42 40.29 1qwv n LEU 133 CO 0.00 1.64 1.22 0.68 -1.22 0.00 0.00 177.39 179.71 1qwv s VAL 134 N 0.73 3.89 -0.19 4.08 -7.23 -1.26 -4.98 120.40 115.44 1qwv s VAL 134 Ca 0.50 0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 61.51 1qwv s VAL 134 Cb 0.14 -4.36 0.01 0.00 0.56 0.00 0.00 36.38 32.73 1qwv s VAL 134 CO -0.05 -0.98 -0.16 -0.51 -0.31 0.00 0.00 175.10 173.09 1qwv s ILE 135 N 5.60 2.40 -0.67 -0.62 -1.16 -1.26 -5.07 121.20 120.42 1qwv s ILE 135 Ca 0.56 -0.82 -0.17 0.00 -0.51 0.00 0.00 60.65 59.70 1qwv s ILE 135 Cb -0.11 -2.03 0.14 0.00 0.61 0.00 0.00 42.46 41.06 1qwv s ILE 135 CO 0.29 0.51 0.72 -0.83 -2.81 0.00 0.00 174.94 172.82 1qwv s GLY 136 N 1.33 2.06 -0.82 1.50 0.00 -1.26 -5.00 107.32 105.14 1qwv s GLY 136 Ca 0.05 -2.61 -0.25 0.00 0.00 0.00 0.00 44.72 41.91 1qwv s GLY 136 CO -0.10 1.47 1.61 1.85 0.00 0.00 0.00 173.10 177.92 1qwv s GLU 137 N 1.87 3.02 -0.81 2.90 2.12 -1.26 -4.93 118.70 121.61 1qwv s GLU 137 Ca 0.13 -0.28 -0.24 0.00 0.36 0.00 0.00 54.97 54.94 1qwv s GLU 137 Cb -0.20 -4.73 0.05 0.00 0.26 0.00 0.00 34.13 29.51 1qwv s GLU 137 CO 0.00 -2.57 1.25 0.14 -0.54 0.00 0.00 175.26 173.54 1qwv s VAL 138 N 7.27 3.97 -0.54 3.70 -7.23 -1.26 -4.96 120.40 121.35 1qwv s VAL 138 Ca 0.53 -0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.32 1qwv s VAL 138 Cb -0.07 -4.90 0.08 0.00 0.56 0.00 0.00 36.38 32.06 1qwv s VAL 138 CO 0.06 -1.77 0.63 -0.22 -0.31 0.00 0.00 175.10 173.49 1qwv s LEU 139 N 4.98 5.24 -0.44 1.32 1.98 -1.26 -5.02 118.68 125.48 1qwv s LEU 139 Ca 0.35 -1.19 -0.15 0.00 -2.89 0.00 0.00 54.13 50.25 1qwv s LEU 139 Cb -0.08 -2.36 0.05 0.00 0.66 0.00 0.00 46.19 44.47 1qwv s LEU 139 CO 0.06 -0.95 0.34 0.00 -1.89 0.00 0.00 176.35 173.91 1qwv s ALA 140 N 2.51 3.50 0.41 5.97 0.00 -1.26 -5.06 121.76 127.84 1qwv s ALA 140 Ca 0.12 -1.95 -0.23 0.00 0.00 0.00 0.00 51.96 49.90 1qwv s ALA 140 Cb -0.22 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1qwv s ALA 140 CO 0.09 -1.61 1.01 -2.00 0.00 0.00 0.00 175.76 173.25 1qwv s GLU 141 N 1.64 4.16 0.00 0.00 2.12 -1.26 -5.36 118.70 120.01 1qwv s GLU 141 Ca 0.04 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1qwv s GLU 141 Cb -0.22 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.78 1qwv s GLU 141 CO 0.08 -0.11 0.00 1.55 -0.54 0.00 0.00 175.26 176.23