#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 -0.01 1.43 0.11 -2.02 -2.85 132.00 128.66 1qwv h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qwv h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1qwv h PRO 2 CO 0.00 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 178.62 1qwv h GLU 3 N 0.00 -0.11 0.00 1.05 3.07 -1.93 0.11 114.58 116.78 1qwv h GLU 3 Ca 0.02 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qwv h GLU 3 Cb 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1qwv h GLU 3 CO -0.00 -0.07 0.00 1.51 -1.40 0.00 0.00 179.01 179.05 1qwv n ILE 4 N -3.05 0.59 0.20 3.13 0.13 -1.16 -2.95 119.36 116.25 1qwv n ILE 4 Ca -0.01 -0.17 0.09 0.00 -1.10 0.00 0.00 62.75 61.56 1qwv n ILE 4 Cb 0.07 -0.68 0.13 0.00 -0.84 0.00 0.00 39.64 38.31 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 -5.51 9.51 2.86 -1.26 -3.43 114.93 117.10 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 0.65 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.18 1qwv h MET 5 CO 0.00 0.14 0.17 0.21 1.06 0.00 0.00 176.91 178.49 1qwv s LYS 6 N -3.14 3.64 -0.01 1.72 2.20 0.36 -5.04 119.74 119.48 1qwv s LYS 6 Ca 0.06 0.03 -0.20 0.00 -0.36 0.00 0.00 55.97 55.50 1qwv s LYS 6 Cb 0.06 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 1qwv s LYS 6 CO 0.69 -0.78 0.59 -0.80 -0.36 0.00 0.00 175.35 174.69 1qwv s ASN 7 N 1.82 6.97 0.14 1.43 -0.87 -1.26 -4.92 114.94 118.25 1qwv s ASN 7 Ca 0.25 1.15 -0.18 0.00 -1.57 0.00 0.00 52.86 52.51 1qwv s ASN 7 Cb -0.14 -2.36 -0.00 0.00 -0.02 0.00 0.00 41.25 38.72 1qwv s ASN 7 CO 0.16 0.11 1.75 -0.07 -2.57 0.00 0.00 177.10 176.48 1qwv h LEU 8 N 5.62 0.13 -1.24 0.60 4.07 -1.93 -0.23 115.31 122.33 1qwv h LEU 8 Ca -0.45 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 1qwv h LEU 8 Cb 1.20 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 1qwv h LEU 8 CO 0.69 0.11 0.39 0.28 -1.08 0.00 0.00 178.44 178.83 1qwv h SER 9 N 0.23 0.81 -0.10 -0.43 0.02 -1.94 0.19 113.55 112.32 1qwv h SER 9 Ca 0.12 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 1qwv h SER 9 Cb 0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1qwv h SER 9 CO -0.11 0.63 -0.49 -1.13 -1.14 0.00 0.00 176.83 174.59 1qwv h ASN 10 N 0.93 0.72 0.27 3.07 -0.00 -1.77 -1.32 115.58 117.48 1qwv h ASN 10 Ca 0.24 -0.36 -0.01 0.00 -0.00 0.00 0.00 56.30 56.17 1qwv h ASN 10 Cb -0.02 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.09 1qwv h ASN 10 CO -0.04 1.09 -0.13 -1.13 -0.00 0.00 0.00 177.43 177.21 1qwv h ASN 11 N 0.52 -0.31 0.00 1.15 -1.24 -0.44 -3.40 115.58 111.86 1qwv h ASN 11 Ca 0.03 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1qwv h ASN 11 Cb 1.03 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1qwv h ASN 11 CO 0.10 0.18 0.00 0.49 -1.29 0.00 0.00 177.43 176.91 1qwv n PHE 12 N -5.03 0.00 -3.85 0.67 3.72 0.60 -4.91 117.46 108.66 1qwv n PHE 12 Ca -0.07 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.05 1qwv n PHE 12 Cb 0.24 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.54 -0.46 0.12 1.37 0.00 -0.50 -4.90 105.19 100.29 1qwv n GLY 13 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 0.35 -1.33 1.61 3.64 -1.91 -3.39 116.57 113.44 1qwv h LYS 14 Ca -0.59 -0.59 -0.40 0.00 -1.27 0.00 0.00 60.65 57.80 1qwv h LYS 14 Cb 1.37 0.22 -0.36 0.00 -0.41 0.00 0.00 32.23 33.05 1qwv h LYS 14 CO 0.64 1.26 -1.08 0.00 -2.27 0.00 0.00 179.45 178.00 1qwv n ALA 15 N -2.66 2.22 -0.06 5.00 0.00 -1.26 -4.92 120.51 118.83 1qwv n ALA 15 Ca -0.15 -3.00 -0.10 0.00 0.00 0.00 0.00 53.44 50.20 1qwv n ALA 15 Cb 1.06 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 19.59 1qwv n ALA 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1qwv h MET 16 N 2.93 0.73 -0.93 0.00 4.05 -1.98 -2.46 114.93 117.28 1qwv h MET 16 Ca -0.01 -0.39 0.14 0.00 -0.28 0.00 0.00 59.70 59.16 1qwv h MET 16 Cb 1.08 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.82 1qwv h MET 16 CO 0.43 1.01 0.59 0.22 0.23 0.00 0.00 176.91 179.39 1qwv h ASP 17 N 0.60 0.74 0.59 1.39 1.82 -1.94 0.18 116.42 119.80 1qwv h ASP 17 Ca 0.05 0.04 -0.21 0.00 -0.39 0.00 0.00 57.03 56.52 1qwv h ASP 17 Cb 0.96 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.83 1qwv h ASP 17 CO 0.09 0.37 -1.56 0.00 -1.61 0.00 0.00 179.24 176.53 1qwv n GLN 18 N -4.59 0.63 0.08 0.28 6.02 -1.08 -1.96 117.38 116.77 1qwv n GLN 18 Ca 0.18 0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 57.31 1qwv n GLN 18 Cb 0.44 -1.79 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1qwv n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qwv h LYS 20 N 0.10 0.04 -0.32 0.00 1.63 -0.69 -0.85 116.57 116.49 1qwv h LYS 20 Ca -0.05 -0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.56 1qwv h LYS 20 Cb 1.59 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1qwv h LYS 20 CO 0.14 0.02 -0.51 0.22 -3.45 0.00 0.00 179.45 175.88 1qwv h ASP 21 N 0.04 0.99 -0.40 4.20 3.58 -1.36 -0.73 116.42 122.74 1qwv h ASP 21 Ca 0.06 -0.51 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 1qwv h ASP 21 Cb 0.08 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1qwv h ASP 21 CO -0.11 1.32 -0.27 -0.08 -2.88 0.00 0.00 179.24 177.22 1qwv h GLU 22 N 0.70 0.92 0.00 0.28 4.22 -1.00 -1.87 114.58 117.83 1qwv h GLU 22 Ca 0.03 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.05 1qwv h GLU 22 Cb 1.12 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1qwv h GLU 22 CO 0.12 1.07 0.00 1.28 -2.18 0.00 0.00 179.01 179.30 1qwv n LEU 23 N -4.09 0.00 -2.38 1.64 4.77 -0.33 -4.86 117.00 111.74 1qwv n LEU 23 Ca -0.01 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1qwv n LEU 23 Cb 0.48 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1qwv n LEU 23 CO 0.47 -0.03 0.04 -1.20 -1.33 0.00 0.00 177.39 175.34 1qwv n SER 24 N -1.24 -4.99 -4.66 -1.43 7.64 -0.70 -4.93 113.62 103.31 1qwv n SER 24 Ca 0.14 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 1qwv n SER 24 Cb 0.19 -3.79 -0.03 0.00 -1.01 0.00 0.00 64.21 59.58 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 -5.16 4.35 0.79 -3.43 1.43 -0.29 -5.00 118.68 111.37 1qwv s LEU 25 Ca 0.27 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.62 1qwv s LEU 25 Cb -0.12 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.63 1qwv s LEU 25 CO 0.34 -0.96 1.09 -2.84 0.23 0.00 0.00 176.35 174.20 1qwv s PRO 26 N 4.13 2.18 0.42 1.29 0.02 -1.26 -4.83 135.00 136.94 1qwv s PRO 26 Ca 0.78 0.77 0.10 0.00 0.02 0.00 0.00 61.00 62.66 1qwv s PRO 26 Cb -0.36 -1.92 0.89 0.00 0.02 0.00 0.00 34.50 33.13 1qwv s PRO 26 CO 0.33 -1.59 2.00 0.38 -0.33 0.00 0.00 177.00 177.79 1qwv h ASP 27 N -1.07 0.26 0.24 2.53 2.03 -1.99 -2.53 116.42 115.89 1qwv h ASP 27 Ca -0.46 -0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 1qwv h ASP 27 Cb 1.25 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1qwv h ASP 27 CO 0.58 0.31 -0.11 0.28 -1.03 0.00 0.00 179.24 179.26 1qwv h SER 28 N 0.28 -0.27 0.17 4.15 0.02 -1.99 -2.18 113.55 113.73 1qwv h SER 28 Ca 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1qwv h SER 28 Cb 0.19 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1qwv h SER 28 CO 0.00 -0.02 -0.08 0.58 -1.14 0.00 0.00 176.83 176.17 1qwv h VAL 29 N -0.52 0.93 -0.01 2.27 2.07 -1.91 -2.39 116.25 116.69 1qwv h VAL 29 Ca -0.03 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1qwv h VAL 29 Cb 0.38 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1qwv h VAL 29 CO 0.05 0.20 0.01 1.62 0.02 0.00 0.00 177.57 179.48 1qwv h VAL 30 N -0.74 1.00 0.08 2.57 3.04 -1.56 0.39 116.25 121.03 1qwv h VAL 30 Ca -0.02 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1qwv h VAL 30 Cb 0.51 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1qwv h VAL 30 CO 0.04 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.56 1qwv h ALA 31 N 1.99 -0.11 -0.35 3.17 0.00 -1.35 -1.78 119.26 120.83 1qwv h ALA 31 Ca 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1qwv h ALA 31 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1qwv h ALA 31 CO -0.00 -0.34 -0.00 0.22 0.00 0.00 0.00 179.25 179.12 1qwv h ASP 32 N -0.56 0.50 -0.96 0.00 3.58 -0.88 -0.52 116.42 117.60 1qwv h ASP 32 Ca -0.01 -0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.48 1qwv h ASP 32 Cb 0.46 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.30 1qwv h ASP 32 CO 0.02 0.58 0.61 0.25 -2.88 0.00 0.00 179.24 177.81 1qwv h LEU 33 N 0.51 0.79 0.00 2.28 5.85 -0.19 -1.27 115.31 123.29 1qwv h LEU 33 Ca 0.11 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1qwv h LEU 33 Cb 0.34 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1qwv h LEU 33 CO 0.01 0.39 0.00 -1.22 -0.34 0.00 0.00 178.44 177.28 1qwv n TYR 34 N -4.61 0.00 -1.86 1.25 4.01 -0.20 -4.82 117.16 110.92 1qwv n TYR 34 Ca 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1qwv n TYR 34 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.26 5.58 0.23 7.72 2.47 -0.48 -4.83 114.94 124.38 1qwv s ASN 35 Ca 0.03 1.34 0.03 0.00 0.42 0.00 0.00 52.86 54.68 1qwv s ASN 35 Cb 0.02 -2.52 0.25 0.00 -1.45 0.00 0.00 41.25 37.54 1qwv s ASN 35 CO 0.03 -1.95 1.57 0.15 -3.72 0.00 0.00 177.10 173.17 1qwv h PHE 36 N 14.27 0.40 -3.09 0.43 3.57 -1.90 -3.43 116.94 127.19 1qwv h PHE 36 Ca -0.34 -0.14 -0.54 0.00 3.53 0.00 0.00 57.97 60.47 1qwv h PHE 36 Cb 1.20 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1qwv h PHE 36 CO 0.96 0.80 0.68 -1.58 -2.23 0.00 0.00 178.31 176.94 1qwv s TRP 37 N -3.88 3.21 -1.17 0.41 0.51 -1.26 -4.90 118.94 111.86 1qwv s TRP 37 Ca -0.05 1.17 -0.17 0.00 -2.12 0.00 0.00 56.10 54.93 1qwv s TRP 37 Cb 0.12 -3.47 -0.04 0.00 -0.81 0.00 0.00 33.47 29.27 1qwv s TRP 37 CO 0.80 -1.51 2.11 0.36 -0.51 0.00 0.00 176.95 178.20 1qwv n LYS 38 N 4.80 2.29 -0.01 4.98 0.00 -1.26 -4.76 118.16 124.19 1qwv n LYS 38 Ca 0.11 -2.28 0.21 0.00 -0.00 0.00 0.00 58.31 56.35 1qwv n LYS 38 Cb 0.46 -3.13 0.45 0.00 -0.00 0.00 0.00 35.03 32.81 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1qwv h ASP 39 N 6.79 0.00 -4.49 -5.58 3.58 -1.91 -3.45 116.42 111.35 1qwv h ASP 39 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1qwv h ASP 39 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1qwv h ASP 39 CO 1.92 0.00 -0.04 -0.67 -2.88 0.00 0.00 179.24 177.56 1qwv n ASP 40 N -3.17 -5.70 -4.53 2.28 -0.08 -1.26 -5.07 116.55 99.02 1qwv n ASP 40 Ca 0.14 0.01 -0.25 0.00 -1.51 0.00 0.00 54.79 53.18 1qwv n ASP 40 Cb 1.17 -3.75 -0.11 0.00 2.34 0.00 0.00 41.12 40.78 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1qwv s TYR 41 N -2.86 2.23 -0.06 -0.67 -0.85 -1.26 -5.13 117.35 108.75 1qwv s TYR 41 Ca 0.02 -0.81 -0.19 0.00 -0.52 0.00 0.00 57.07 55.57 1qwv s TYR 41 Cb -0.01 -1.51 -0.05 0.00 0.38 0.00 0.00 41.96 40.77 1qwv s TYR 41 CO 0.48 0.23 0.54 0.08 -1.52 0.00 0.00 175.55 175.36 1qwv s VAL 42 N -3.01 5.05 -0.80 -3.49 1.01 -1.26 -4.99 120.40 112.91 1qwv s VAL 42 Ca 0.36 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1qwv s VAL 42 Cb 0.09 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1qwv s VAL 42 CO 0.17 0.37 1.96 -0.32 0.00 0.00 0.00 175.10 177.28 1qwv s MET 43 N 0.19 2.51 -0.10 2.72 1.75 -1.26 -4.75 119.30 120.36 1qwv s MET 43 Ca 0.29 0.06 -0.09 0.00 -1.25 0.00 0.00 55.69 54.70 1qwv s MET 43 Cb -0.17 -4.84 -0.28 0.00 2.84 0.00 0.00 34.83 32.39 1qwv s MET 43 CO 0.14 -3.25 0.48 1.79 -0.65 0.00 0.00 175.02 173.52 1qwv h THR 44 N 7.19 0.77 -3.25 10.11 1.35 -1.97 -3.45 112.91 123.65 1qwv h THR 44 Ca -0.02 -2.40 -0.58 0.00 -0.55 0.00 0.00 66.41 62.86 1qwv h THR 44 Cb 1.06 2.60 -0.07 0.00 -1.73 0.00 0.00 68.15 70.01 1qwv h THR 44 CO 1.20 0.85 0.77 -0.62 -0.25 0.00 0.00 175.52 177.47 1qwv s ASP 45 N -7.12 6.95 0.35 5.36 2.15 -1.26 -4.90 116.67 118.19 1qwv s ASP 45 Ca -0.20 1.11 0.09 0.00 0.43 0.00 0.00 52.55 53.98 1qwv s ASP 45 Cb 0.06 -2.52 0.83 0.00 -0.30 0.00 0.00 42.92 40.99 1qwv s ASP 45 CO 0.79 -0.77 1.85 0.08 -0.17 0.00 0.00 175.17 176.95 1qwv h ARG 46 N 7.88 0.65 0.00 4.34 -0.00 -1.87 -2.07 114.38 123.31 1qwv h ARG 46 Ca -0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 1qwv h ARG 46 Cb 1.07 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.89 1qwv h ARG 46 CO 0.99 0.43 0.00 1.25 -0.00 0.00 0.00 179.97 182.65 1qwv h LEU 47 N 0.67 0.00 0.00 0.08 5.85 -1.93 -1.84 115.31 118.14 1qwv h LEU 47 Ca 0.47 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 1qwv h LEU 47 Cb 0.81 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1qwv h LEU 47 CO -0.23 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 177.78 1qwv h ALA 48 N 2.11 0.02 -0.90 1.25 0.00 -1.76 -2.50 119.26 117.48 1qwv h ALA 48 Ca 0.00 -0.46 0.26 0.00 0.00 0.00 0.00 54.91 54.71 1qwv h ALA 48 Cb 0.51 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 1qwv h ALA 48 CO 0.00 0.06 0.06 0.41 0.00 0.00 0.00 179.25 179.77 1qwv n GLY 49 N 1.63 -1.18 0.20 0.00 0.00 -1.03 -0.78 105.19 104.02 1qwv n GLY 49 Ca -0.10 0.87 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv n ALA 51 N -2.46 1.79 -0.15 0.00 0.00 -0.12 -2.36 120.51 117.22 1qwv n ALA 51 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1qwv n ALA 51 Cb 0.41 -1.27 0.33 0.00 0.00 0.00 0.00 19.45 18.91 1qwv n ALA 51 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1qwv h ILE 52 N 0.00 1.12 -2.64 0.00 2.04 -0.79 -3.32 117.51 113.92 1qwv h ILE 52 Ca 0.00 -0.28 -0.60 0.00 1.00 0.00 0.00 64.86 64.99 1qwv h ILE 52 Cb 0.27 0.23 -0.39 0.00 -0.74 0.00 0.00 36.82 36.19 1qwv h ILE 52 CO 0.00 0.15 -0.85 0.21 0.00 0.00 0.00 178.15 177.66 1qwv s ASN 53 N -6.40 2.69 -0.24 1.72 3.84 -1.00 -4.55 114.94 111.01 1qwv s ASN 53 Ca -0.10 -2.83 -0.06 0.00 0.21 0.00 0.00 52.86 50.08 1qwv s ASN 53 Cb 0.18 -0.69 -0.13 0.00 -0.55 0.00 0.00 41.25 40.07 1qwv s ASN 53 CO 0.77 -0.22 -0.27 0.00 -2.79 0.00 0.00 177.10 174.59 1qwv h LEU 55 N -0.49 -0.79 0.00 0.00 5.85 -1.90 -2.13 115.31 115.85 1qwv h LEU 55 Ca -0.58 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1qwv h LEU 55 Cb 1.66 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1qwv h LEU 55 CO -0.25 -0.54 -0.10 0.00 -0.34 0.00 0.00 178.44 177.22 1qwv h ALA 56 N -0.66 0.94 -0.03 1.25 0.00 -1.96 -2.32 119.26 116.48 1qwv h ALA 56 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1qwv h ALA 56 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qwv h ALA 56 CO 0.16 0.00 -0.81 1.15 0.00 0.00 0.00 179.25 179.74 1qwv h THR 57 N 0.00 1.43 0.00 0.00 2.02 -1.73 -1.98 112.91 112.66 1qwv h THR 57 Ca 0.00 -2.37 -0.12 0.00 0.77 0.00 0.00 66.41 64.69 1qwv h THR 57 Cb 0.78 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 1qwv h THR 57 CO 0.00 0.70 -0.57 0.11 0.37 0.00 0.00 175.52 176.13 1qwv h LYS 58 N 0.19 0.00 0.42 6.66 1.79 -1.03 -3.32 116.57 121.28 1qwv h LYS 58 Ca -0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1qwv h LYS 58 Cb 1.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1qwv h LYS 58 CO 0.13 0.57 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.79 1qwv h LEU 59 N 0.00 -0.48 -6.13 2.94 -0.00 -1.35 -3.48 115.31 106.80 1qwv h LEU 59 Ca -0.01 0.02 0.24 0.00 -0.00 0.00 0.00 57.88 58.14 1qwv h LEU 59 Cb 1.40 0.12 -0.25 0.00 -0.00 0.00 0.00 40.66 41.94 1qwv h LEU 59 CO 0.07 -0.27 0.38 -0.62 -0.00 0.00 0.00 178.44 178.01 1qwv s ASP 60 N -3.49 -0.23 -0.05 -0.43 2.15 -0.75 -5.04 116.67 108.82 1qwv s ASP 60 Ca -0.08 0.26 0.02 0.00 0.43 0.00 0.00 52.55 53.18 1qwv s ASP 60 Cb 0.01 1.24 0.06 0.00 -0.30 0.00 0.00 42.92 43.93 1qwv s ASP 60 CO 0.25 -0.04 0.80 0.55 -0.17 0.00 0.00 175.17 176.56 1qwv n VAL 61 N 4.91 0.00 -3.93 1.11 3.14 -1.26 -4.75 118.33 117.55 1qwv n VAL 61 Ca -0.07 -0.16 -0.35 0.00 -2.96 0.00 0.00 64.34 60.80 1qwv n VAL 61 Cb 0.55 0.46 -0.14 0.00 -1.06 0.00 0.00 33.84 33.64 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 0.02 3.48 -0.07 1.55 -7.23 -1.26 -4.00 120.40 112.89 1qwv s VAL 62 Ca 0.01 -0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 1qwv s VAL 62 Cb 0.07 -2.58 -0.12 0.00 0.56 0.00 0.00 36.38 34.31 1qwv s VAL 62 CO -0.02 0.42 0.62 -0.78 -0.31 0.00 0.00 175.10 175.03 1qwv h ASP 63 N 8.03 -0.17 0.00 4.85 1.82 -1.86 -3.46 116.42 125.62 1qwv h ASP 63 Ca -0.40 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 55.95 1qwv h ASP 63 Cb 1.16 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1qwv h ASP 63 CO 0.60 0.40 0.00 -0.81 -1.61 0.00 0.00 179.24 177.82 1qwv n PRO 64 N -4.89 3.62 0.00 0.28 -0.05 -1.26 -4.92 135.00 127.77 1qwv n PRO 64 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 1qwv n PRO 64 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.67 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 0.13 0.00 3.54 9.92 -1.26 -4.81 116.55 124.07 1qwv n ASP 65 Ca 0.00 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.80 1qwv n ASP 65 Cb 0.00 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qwv n GLY 66 N 0.21 2.26 3.77 0.44 0.00 -1.26 -5.09 105.19 105.53 1qwv n GLY 66 Ca 0.00 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 5.82 -0.97 1.61 4.22 -1.26 -3.84 114.94 120.51 1qwv s ASN 67 Ca 0.00 2.18 -0.01 0.00 -2.14 0.00 0.00 52.86 52.89 1qwv s ASN 67 Cb 0.00 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1qwv s ASN 67 CO 0.00 -1.15 0.12 0.18 -2.04 0.00 0.00 177.10 174.20 1qwv n LEU 68 N -1.17 -1.76 -3.90 3.54 7.99 -1.26 -4.56 117.00 115.88 1qwv n LEU 68 Ca 0.11 -0.06 -0.41 0.00 -0.01 0.00 0.00 56.01 55.64 1qwv n LEU 68 Cb 0.51 -1.90 -0.04 0.00 -0.11 0.00 0.00 43.42 41.88 1qwv n LEU 68 CO 0.43 -0.04 2.16 0.00 -1.51 0.00 0.00 177.39 178.43 1qwv n HIS 69 N -4.00 2.74 -0.06 -1.77 1.44 -1.25 -4.56 115.22 107.76 1qwv n HIS 69 Ca -0.12 -2.17 -0.21 0.00 -2.01 0.00 0.00 57.72 53.22 1qwv n HIS 69 Cb 0.59 -2.17 -0.13 0.00 0.12 0.00 0.00 29.99 28.41 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 7.64 0.16 0.70 -1.40 6.17 -1.90 -3.34 115.15 123.17 1qwv h HIS 70 Ca 0.43 -0.11 -0.03 0.00 0.71 0.00 0.00 60.37 61.37 1qwv h HIS 70 Cb 0.72 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 1qwv h HIS 70 CO 1.31 1.46 -0.46 0.78 0.71 0.00 0.00 177.93 181.73 1qwv h GLY 71 N -0.55 -1.23 2.00 5.26 0.00 -1.93 -2.11 103.07 104.51 1qwv h GLY 71 Ca -0.29 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1qwv h GLY 71 CO -0.08 -0.41 -0.07 3.43 0.00 0.00 0.00 176.54 179.40 1qwv h ASN 72 N -1.10 0.00 0.06 0.19 2.35 -1.83 -0.58 115.58 114.68 1qwv h ASN 72 Ca -0.09 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.48 1qwv h ASN 72 Cb 0.89 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1qwv h ASN 72 CO 0.07 0.07 -0.64 0.00 -1.65 0.00 0.00 177.43 175.28 1qwv h ALA 73 N 1.93 0.60 0.09 -0.83 0.00 -1.54 0.84 119.26 120.34 1qwv h ALA 73 Ca -0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 1qwv h ALA 73 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qwv h ALA 73 CO 0.01 0.71 -1.16 0.87 0.00 0.00 0.00 179.25 179.68 1qwv h LYS 74 N 0.40 0.19 -0.59 0.00 1.79 -0.76 -2.25 116.57 115.36 1qwv h LYS 74 Ca -0.01 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.09 1qwv h LYS 74 Cb 1.21 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 1qwv h LYS 74 CO 0.12 1.15 0.17 0.22 -1.08 0.00 0.00 179.45 180.03 1qwv h ASP 75 N 0.05 0.87 -0.72 0.86 3.58 -1.07 -1.81 116.42 118.18 1qwv h ASP 75 Ca -0.09 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.08 1qwv h ASP 75 Cb 1.90 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.69 1qwv h ASP 75 CO 0.18 0.85 0.23 0.15 -2.88 0.00 0.00 179.24 177.77 1qwv h PHE 76 N 0.83 1.16 -0.15 0.28 3.57 -0.81 -2.28 116.94 119.55 1qwv h PHE 76 Ca 0.19 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1qwv h PHE 76 Cb 0.31 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1qwv h PHE 76 CO 0.02 0.91 -0.44 0.00 -2.23 0.00 0.00 178.31 176.57 1qwv h ALA 77 N 1.17 0.97 -0.02 2.41 0.00 -1.24 0.67 119.26 123.22 1qwv h ALA 77 Ca 0.24 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1qwv h ALA 77 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qwv h ALA 77 CO -0.01 0.63 -0.73 0.52 0.00 0.00 0.00 179.25 179.66 1qwv h MET 78 N 0.29 0.15 0.00 0.00 2.86 -1.00 -0.69 114.93 116.53 1qwv h MET 78 Ca 0.02 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1qwv h MET 78 Cb 0.90 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1qwv h MET 78 CO 0.07 0.81 -0.93 0.36 1.06 0.00 0.00 176.91 178.28 1qwv n LYS 79 N -3.74 0.26 -3.50 1.72 2.85 -0.89 -4.45 118.16 110.40 1qwv n LYS 79 Ca -0.02 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.96 1qwv n LYS 79 Cb 0.71 -1.60 -0.13 0.00 -0.65 0.00 0.00 35.03 33.36 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1qwv s HIS 80 N -3.17 0.73 0.00 5.58 3.76 0.22 -4.98 115.29 117.42 1qwv s HIS 80 Ca 0.05 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 1qwv s HIS 80 Cb 0.14 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 32.84 1qwv s HIS 80 CO 0.78 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 1qwv n GLY 81 N 4.32 2.03 3.74 -2.22 0.00 -1.20 -4.37 105.19 107.48 1qwv n GLY 81 Ca 0.07 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.75 3.44 0.75 4.61 0.00 -0.27 -4.15 121.76 125.40 1qwv s ALA 82 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1qwv s ALA 82 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 23.12 21.80 1qwv s ALA 82 CO 0.00 0.68 1.05 0.16 0.00 0.00 0.00 175.76 177.65 1qwv s ASP 83 N -1.81 4.31 0.15 0.00 1.47 -1.26 -3.80 116.67 115.73 1qwv s ASP 83 Ca 0.23 0.05 -0.18 0.00 1.18 0.00 0.00 52.55 53.83 1qwv s ASP 83 Cb -0.12 -0.49 0.05 0.00 -0.34 0.00 0.00 42.92 42.02 1qwv s ASP 83 CO 0.14 -1.90 1.70 -0.08 0.68 0.00 0.00 175.17 175.71 1qwv h GLU 84 N -0.73 0.05 -0.19 2.11 4.81 -1.96 -1.09 114.58 117.59 1qwv h GLU 84 Ca -0.41 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1qwv h GLU 84 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1qwv h GLU 84 CO 0.47 0.03 -0.02 0.00 -0.73 0.00 0.00 179.01 178.76 1qwv h THR 85 N 0.05 1.14 0.22 0.32 1.03 -1.98 -1.40 112.91 112.30 1qwv h THR 85 Ca 0.15 -0.54 -0.33 0.00 -0.01 0.00 0.00 66.41 65.68 1qwv h THR 85 Cb 0.22 1.02 0.03 0.00 -1.07 0.00 0.00 68.15 68.36 1qwv h THR 85 CO -0.29 0.18 -1.42 0.24 -0.01 0.00 0.00 175.52 174.22 1qwv h MET 86 N 0.27 0.54 -0.13 0.00 2.86 -1.60 -0.60 114.93 116.26 1qwv h MET 86 Ca 0.06 -0.87 -0.03 0.00 -2.06 0.00 0.00 59.70 56.80 1qwv h MET 86 Cb 0.23 0.32 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1qwv h MET 86 CO 0.01 1.41 -0.08 0.00 1.06 0.00 0.00 176.91 179.31 1qwv h ALA 87 N 0.22 1.63 0.00 6.32 0.00 -1.14 -1.21 119.26 125.08 1qwv h ALA 87 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qwv h ALA 87 Cb 2.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1qwv h ALA 87 CO 0.26 0.27 -0.23 1.96 0.00 0.00 0.00 179.25 181.52 1qwv h GLN 88 N 0.19 0.00 0.00 0.00 7.50 -1.01 0.53 115.11 122.32 1qwv h GLN 88 Ca 0.04 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.12 1qwv h GLN 88 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1qwv h GLN 88 CO 0.01 0.00 -0.34 1.96 -1.50 0.00 0.00 178.83 178.96 1qwv h GLN 89 N 0.00 0.00 0.11 1.46 1.08 -0.33 -3.33 115.11 114.10 1qwv h GLN 89 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1qwv h GLN 89 Cb 0.98 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1qwv h GLN 89 CO 0.00 0.34 -1.39 1.25 -0.95 0.00 0.00 178.83 178.08 1qwv h LEU 90 N 0.00 0.37 -2.02 1.46 5.85 -0.89 -3.37 115.31 116.72 1qwv h LEU 90 Ca -0.00 -0.85 0.07 0.00 0.84 0.00 0.00 57.88 57.93 1qwv h LEU 90 Cb 1.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1qwv h LEU 90 CO 0.04 1.61 0.17 -0.37 -0.34 0.00 0.00 178.44 179.55 1qwv h VAL 91 N -0.32 0.86 -0.35 1.05 -1.51 -1.02 -0.27 116.25 114.69 1qwv h VAL 91 Ca -0.30 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.08 1qwv h VAL 91 Cb 1.74 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 1qwv h VAL 91 CO 0.05 0.00 -0.14 -0.78 -1.23 0.00 0.00 177.57 175.47 1qwv h ASP 92 N 0.00 0.73 -0.40 4.19 3.58 -1.72 -1.42 116.42 121.38 1qwv h ASP 92 Ca 0.11 -0.39 -0.10 0.00 0.42 0.00 0.00 57.03 57.06 1qwv h ASP 92 Cb 0.44 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1qwv h ASP 92 CO -0.00 0.96 -0.15 0.40 -2.88 0.00 0.00 179.24 177.56 1qwv h ILE 93 N 0.49 1.28 -0.43 2.25 5.03 -1.40 -2.40 117.51 122.33 1qwv h ILE 93 Ca 0.08 -1.28 0.07 0.00 -0.12 0.00 0.00 64.86 63.61 1qwv h ILE 93 Cb 0.67 1.26 -0.06 0.00 -3.03 0.00 0.00 36.82 35.67 1qwv h ILE 93 CO 0.05 0.43 0.11 0.40 -0.68 0.00 0.00 178.15 178.45 1qwv h ILE 94 N 0.62 0.79 -0.26 -0.67 2.04 -0.85 0.42 117.51 119.60 1qwv h ILE 94 Ca 0.09 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.72 1qwv h ILE 94 Cb 0.70 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1qwv h ILE 94 CO 0.05 0.04 -0.46 0.45 0.00 0.00 0.00 178.15 178.24 1qwv h HIS 95 N 0.25 0.80 0.03 1.37 3.86 -1.22 -1.92 115.15 118.32 1qwv h HIS 95 Ca 0.21 -0.25 -0.13 0.00 -1.16 0.00 0.00 60.37 59.03 1qwv h HIS 95 Cb 0.25 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1qwv h HIS 95 CO -0.19 0.99 -0.69 0.78 0.86 0.00 0.00 177.93 179.68 1qwv h GLY 96 N 0.98 0.08 1.39 2.45 0.00 -0.89 -2.66 103.07 104.42 1qwv h GLY 96 Ca 0.03 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 1qwv h GLY 96 CO 0.09 0.18 -0.71 0.00 0.00 0.00 0.00 176.54 176.11 1qwv h GLU 98 N 0.43 0.77 -0.25 0.00 4.81 -1.45 0.12 114.58 119.01 1qwv h GLU 98 Ca -0.03 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1qwv h GLU 98 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1qwv h GLU 98 CO 0.14 0.90 -0.07 -0.22 -0.73 0.00 0.00 179.01 179.02 1qwv h LYS 99 N 0.68 0.40 -0.54 1.92 1.63 -1.33 -2.42 116.57 116.90 1qwv h LYS 99 Ca 0.10 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1qwv h LYS 99 Cb 0.69 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1qwv h LYS 99 CO 0.05 0.48 0.00 0.43 -3.45 0.00 0.00 179.45 176.97 1qwv n SER 100 N -4.27 3.38 -4.83 4.20 7.64 -0.57 -4.97 113.62 114.20 1qwv n SER 100 Ca 0.00 -1.98 -0.32 0.00 1.01 0.00 0.00 58.87 57.58 1qwv n SER 100 Cb 0.27 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.28 2.97 0.28 -0.43 0.00 0.40 -4.99 121.76 118.70 1qwv s ALA 101 Ca 0.42 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 1qwv s ALA 101 Cb 0.23 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 1qwv s ALA 101 CO 0.30 -0.49 1.21 -2.30 0.00 0.00 0.00 175.76 174.48 1qwv n PRO 102 N -1.93 1.76 -0.14 0.00 -0.02 -1.26 -4.83 135.00 128.58 1qwv n PRO 102 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1qwv n PRO 102 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.08 0.56 -3.39 0.52 -0.02 -1.26 -4.77 135.00 127.71 1qwv n PRO 103 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 1qwv n PRO 103 Cb 0.32 -1.22 -0.09 0.00 -0.02 0.00 0.00 33.50 32.50 1qwv n PRO 103 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwv s ASN 104 N 1.51 6.24 -0.81 2.55 2.47 -1.26 -5.01 114.94 120.62 1qwv s ASN 104 Ca 0.00 0.23 -0.26 0.00 0.42 0.00 0.00 52.86 53.25 1qwv s ASN 104 Cb 0.00 -2.21 0.02 0.00 -1.45 0.00 0.00 41.25 37.61 1qwv s ASN 104 CO 0.00 -0.20 1.51 -0.62 -3.72 0.00 0.00 177.10 174.07 1qwv s ASP 105 N 1.66 5.98 -0.11 -4.21 2.15 -1.26 -4.78 116.67 116.10 1qwv s ASP 105 Ca 0.14 -0.62 -0.04 0.00 0.43 0.00 0.00 52.55 52.47 1qwv s ASP 105 Cb -0.16 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1qwv s ASP 105 CO 0.10 -1.95 0.19 -0.62 -0.17 0.00 0.00 175.17 172.72 1qwv s ASP 106 N 5.37 0.72 0.00 -0.34 -1.08 -1.26 -5.07 116.67 115.02 1qwv s ASP 106 Ca 0.48 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1qwv s ASP 106 Cb -0.06 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 1qwv s ASP 106 CO 0.07 -0.25 0.45 1.17 0.52 0.00 0.00 175.17 177.13 1qwv n LYS 107 N 5.33 0.00 0.06 4.34 4.81 -1.26 -1.93 118.16 129.50 1qwv n LYS 107 Ca -0.05 0.45 0.12 0.00 -0.87 0.00 0.00 58.31 57.96 1qwv n LYS 107 Cb 0.50 -0.70 0.17 0.00 0.02 0.00 0.00 35.03 35.01 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 0.89 -0.00 0.00 2.86 -1.68 -0.17 114.93 116.82 1qwv h MET 109 Ca 0.00 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1qwv h MET 109 Cb 0.74 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1qwv h MET 109 CO 0.00 0.76 0.00 1.57 1.06 0.00 0.00 176.91 180.30 1qwv h LYS 110 N 0.83 0.00 0.00 1.72 2.10 -1.62 -1.84 116.57 117.76 1qwv h LYS 110 Ca 0.20 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1qwv h LYS 110 Cb 0.19 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1qwv h LYS 110 CO -0.02 0.22 0.03 -2.37 -2.00 0.00 0.00 179.45 175.32 1qwv n THR 111 N -4.98 1.26 0.02 0.07 5.66 -1.08 -1.12 114.28 114.10 1qwv n THR 111 Ca -0.08 0.67 -0.16 0.00 -3.05 0.00 0.00 64.05 61.43 1qwv n THR 111 Cb 0.13 -1.67 -0.14 0.00 -1.55 0.00 0.00 70.33 67.10 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 0.86 -0.77 1.09 5.03 -0.23 -2.31 117.51 121.18 1qwv h ILE 112 Ca 0.00 -2.59 0.01 0.00 -0.12 0.00 0.00 64.86 62.17 1qwv h ILE 112 Cb 0.06 2.57 -0.04 0.00 -3.03 0.00 0.00 36.82 36.38 1qwv h ILE 112 CO 0.00 0.76 0.51 0.44 -0.68 0.00 0.00 178.15 179.18 1qwv h ASP 113 N 0.05 0.87 0.27 1.72 5.19 -0.53 -1.37 116.42 122.62 1qwv h ASP 113 Ca -0.33 -0.02 -0.29 0.00 -0.62 0.00 0.00 57.03 55.78 1qwv h ASP 113 Cb 2.02 -0.22 0.02 0.00 0.18 0.00 0.00 39.33 41.34 1qwv h ASP 113 CO 0.11 0.63 -1.21 -0.37 -3.12 0.00 0.00 179.24 175.27 1qwv h VAL 114 N 1.03 1.34 0.26 -1.35 -1.51 -1.47 -2.55 116.25 112.00 1qwv h VAL 114 Ca 0.29 -2.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.16 1qwv h VAL 114 Cb -0.10 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1qwv h VAL 114 CO -0.07 0.78 -0.13 0.00 -1.23 0.00 0.00 177.57 176.92 1qwv h ALA 115 N 0.41 -0.35 0.00 5.19 0.00 -1.09 0.89 119.26 124.31 1qwv h ALA 115 Ca -0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1qwv h ALA 115 Cb 1.89 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1qwv h ALA 115 CO 0.22 -0.70 -0.22 0.00 0.00 0.00 0.00 179.25 178.56 1qwv h MET 116 N -0.36 0.00 0.00 0.00 -0.00 -1.39 -1.45 114.93 111.73 1qwv h MET 116 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 1qwv h MET 116 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.87 1qwv h MET 116 CO 0.06 0.22 -0.25 0.00 -0.00 0.00 0.00 176.91 176.94 1qwv h PHE 118 N 0.00 0.69 0.00 0.00 3.57 0.24 -2.67 116.94 118.78 1qwv h PHE 118 Ca -0.00 -0.50 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 1qwv h PHE 118 Cb 0.64 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1qwv h PHE 118 CO 0.00 1.39 -0.33 1.57 -2.23 0.00 0.00 178.31 178.71 1qwv h LYS 119 N -0.19 0.00 0.31 1.11 2.10 -1.41 -2.16 116.57 116.32 1qwv h LYS 119 Ca -0.18 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1qwv h LYS 119 Cb 1.80 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.11 1qwv h LYS 119 CO 0.19 0.33 -0.27 0.87 -2.00 0.00 0.00 179.45 178.57 1qwv h LYS 120 N 0.00 -0.57 -0.26 0.07 6.56 -1.34 -0.70 116.57 120.33 1qwv h LYS 120 Ca -0.00 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1qwv h LYS 120 Cb 0.66 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.43 1qwv h LYS 120 CO 0.04 -0.38 0.16 1.05 -2.06 0.00 0.00 179.45 178.26 1qwv h GLU 121 N -0.59 0.31 -0.14 3.15 -0.00 -1.20 -1.56 114.58 114.55 1qwv h GLU 121 Ca -0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 59.36 59.33 1qwv h GLU 121 Cb 0.53 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.20 1qwv h GLU 121 CO -0.03 0.21 0.09 0.97 -0.00 0.00 0.00 179.01 180.25 1qwv h ILE 122 N 0.32 1.02 -0.03 -1.06 2.10 -1.37 -0.62 117.51 117.87 1qwv h ILE 122 Ca 0.10 -0.06 -0.12 0.00 1.08 0.00 0.00 64.86 65.87 1qwv h ILE 122 Cb -0.01 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 36.55 1qwv h ILE 122 CO -0.04 0.03 -0.53 0.45 -1.08 0.00 0.00 178.15 176.98 1qwv h HIS 123 N 0.17 0.10 -0.15 2.19 3.86 -0.31 0.61 115.15 121.62 1qwv h HIS 123 Ca 0.05 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 1qwv h HIS 123 Cb 0.01 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1qwv h HIS 123 CO -0.00 0.59 -0.63 -0.22 0.86 0.00 0.00 177.93 178.53 1qwv h LYS 124 N 0.06 0.53 -0.34 2.45 3.11 -0.20 -2.97 116.57 119.21 1qwv h LYS 124 Ca -0.00 -0.37 -0.15 0.00 -2.81 0.00 0.00 60.65 57.32 1qwv h LYS 124 Cb 0.95 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 1qwv h LYS 124 CO 0.07 0.99 -0.38 -0.07 -2.81 0.00 0.00 179.45 177.25 1qwv h LEU 125 N 0.39 0.86 0.00 5.20 3.38 -1.20 -3.47 115.31 120.47 1qwv h LEU 125 Ca -0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qwv h LEU 125 Cb 1.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1qwv h LEU 125 CO 0.12 1.14 0.00 -3.20 0.09 0.00 0.00 178.44 176.59 1qwv n ASN 126 N -4.05 0.00 -3.86 -0.43 5.15 0.19 -4.07 115.26 108.19 1qwv n ASN 126 Ca -0.02 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.81 1qwv n ASN 126 Cb 0.53 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.63 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 0.24 -0.34 1.20 -2.14 -1.26 -4.96 118.94 111.68 1qwv s TRP 127 Ca 0.00 -0.01 -0.10 0.00 2.66 0.00 0.00 56.10 58.65 1qwv s TRP 127 Cb 0.00 -0.25 0.01 0.00 -3.10 0.00 0.00 33.47 30.13 1qwv s TRP 127 CO 0.00 -0.06 0.36 0.28 -2.66 0.00 0.00 176.95 174.87 1qwv n VAL 128 N 3.56-10.21 -3.05 -0.66 0.31 -1.26 -4.97 118.33 102.06 1qwv n VAL 128 Ca -0.20 1.04 -0.41 0.00 -0.01 0.00 0.00 64.34 64.77 1qwv n VAL 128 Cb 0.55 -6.79 -0.06 0.00 -0.91 0.00 0.00 33.84 26.63 1qwv n VAL 128 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qwv s PRO 129 N -2.10 4.12 -0.49 5.55 0.04 -1.26 -5.03 135.00 135.84 1qwv s PRO 129 Ca 0.15 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.65 1qwv s PRO 129 Cb -0.04 -3.65 0.05 0.00 0.04 0.00 0.00 34.50 30.90 1qwv s PRO 129 CO 0.67 -0.45 0.58 -0.80 0.04 0.00 0.00 177.00 177.04 1qwv s ASN 130 N 1.44 6.22 0.23 6.66 -0.87 -1.26 -5.04 114.94 122.32 1qwv s ASN 130 Ca 0.28 -0.88 -0.27 0.00 -1.57 0.00 0.00 52.86 50.42 1qwv s ASN 130 Cb -0.15 -2.27 -0.09 0.00 -0.02 0.00 0.00 41.25 38.72 1qwv s ASN 130 CO 0.08 -0.82 0.87 -0.04 -2.57 0.00 0.00 177.10 174.63 1qwv s MET 131 N 2.48 4.68 -0.11 -0.60 -1.94 -1.26 -5.03 119.30 117.52 1qwv s MET 131 Ca 0.14 1.31 -0.25 0.00 -1.71 0.00 0.00 55.69 55.19 1qwv s MET 131 Cb -0.19 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1qwv s MET 131 CO 0.12 0.49 0.78 0.34 -0.01 0.00 0.00 175.02 176.74 1qwv s ASP 132 N -1.28 7.00 -1.18 3.03 -1.08 -1.26 -4.97 116.67 116.92 1qwv s ASP 132 Ca 0.41 1.21 -0.18 0.00 -0.52 0.00 0.00 52.55 53.47 1qwv s ASP 132 Cb -0.23 -2.44 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 1qwv s ASP 132 CO 0.28 -0.25 1.55 -0.22 0.52 0.00 0.00 175.17 177.05 1qwv s LEU 133 N 1.41 4.14 0.16 -1.34 2.96 -1.26 -4.98 118.68 119.78 1qwv s LEU 133 Ca 0.39 -2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 51.71 1qwv s LEU 133 Cb -0.18 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.92 1qwv s LEU 133 CO 0.17 -1.14 0.89 -0.69 -1.32 0.00 0.00 176.35 174.25 1qwv s VAL 134 N 3.67 4.34 -0.30 1.68 1.01 -1.26 -5.04 120.40 124.51 1qwv s VAL 134 Ca 0.48 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 64.38 1qwv s VAL 134 Cb 0.01 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1qwv s VAL 134 CO 0.01 0.44 0.22 0.27 0.00 0.00 0.00 175.10 176.03 1qwv s ILE 135 N -0.69 -0.21 0.49 2.22 -5.25 -1.26 -5.14 121.20 111.36 1qwv s ILE 135 Ca 0.41 -0.71 -0.05 0.00 -0.99 0.00 0.00 60.65 59.31 1qwv s ILE 135 Cb -0.24 -0.98 -0.03 0.00 2.95 0.00 0.00 42.46 44.16 1qwv s ILE 135 CO 0.29 -0.63 0.80 -0.83 -1.79 0.00 0.00 174.94 172.78 1qwv s GLY 136 N 2.12 1.51 0.10 6.27 0.00 -1.26 -5.09 107.32 110.97 1qwv s GLY 136 Ca 0.10 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.32 1qwv s GLY 136 CO -0.31 -0.36 0.06 -1.83 0.00 0.00 0.00 173.10 170.65 1qwv s GLU 137 N -4.77 2.75 -0.33 2.90 -1.05 -1.26 -5.10 118.70 111.84 1qwv s GLU 137 Ca 0.48 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1qwv s GLU 137 Cb -0.10 -2.63 0.08 0.00 -0.44 0.00 0.00 34.13 31.03 1qwv s GLU 137 CO 0.45 0.54 0.05 0.14 0.95 0.00 0.00 175.26 177.38 1qwv s VAL 138 N -1.44 2.78 -0.63 1.83 -7.23 -1.26 -5.06 120.40 109.39 1qwv s VAL 138 Ca 0.28 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 1qwv s VAL 138 Cb -0.11 -2.79 0.05 0.00 0.56 0.00 0.00 36.38 34.09 1qwv s VAL 138 CO 0.21 -0.37 0.99 -1.48 -0.31 0.00 0.00 175.10 174.15 1qwv s LEU 139 N 1.12 4.13 -0.40 1.32 2.34 -1.26 -5.00 118.68 120.92 1qwv s LEU 139 Ca 0.02 -0.68 -0.21 0.00 0.06 0.00 0.00 54.13 53.31 1qwv s LEU 139 Cb -0.20 -2.59 0.01 0.00 -0.56 0.00 0.00 46.19 42.85 1qwv s LEU 139 CO -0.04 -1.41 0.69 0.00 -1.06 0.00 0.00 176.35 174.53 1qwv s ALA 140 N 4.23 3.38 -0.32 1.48 0.00 -1.26 -5.02 121.76 124.25 1qwv s ALA 140 Ca 0.27 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1qwv s ALA 140 Cb -0.14 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1qwv s ALA 140 CO 0.14 -1.62 1.07 -1.21 0.00 0.00 0.00 175.76 174.14 1qwv s GLU 141 N 2.92 4.06 0.00 0.00 0.41 -1.26 -5.36 118.70 119.46 1qwv s GLU 141 Ca 0.26 1.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.87 1qwv s GLU 141 Cb -0.14 -3.74 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 1qwv s GLU 141 CO 0.18 -0.90 0.00 1.33 -0.49 0.00 0.00 175.26 175.38