#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwv n PRO 2 N 0.00 0.86 0.00 4.33 -0.02 -1.26 -4.35 135.00 134.57 1qwv n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1qwv n PRO 2 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1qwv n PRO 2 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1qwv n GLU 3 N -0.71 0.00 0.00 -0.52 4.71 -1.26 -0.69 120.64 122.16 1qwv n GLU 3 Ca 0.09 0.75 0.13 0.00 -0.01 0.00 0.00 57.16 58.11 1qwv n GLU 3 Cb 0.04 -1.47 0.40 0.00 -1.01 0.00 0.00 31.44 29.40 1qwv n GLU 3 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1qwv n ILE 4 N -2.45 0.00 0.08 -3.67 0.13 -1.26 -3.81 119.36 108.38 1qwv n ILE 4 Ca 0.00 -0.01 -0.06 0.00 -1.10 0.00 0.00 62.75 61.58 1qwv n ILE 4 Cb 0.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 39.64 38.74 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 0.08 0.04 -5.68 9.51 2.86 -1.69 -3.40 114.93 116.64 1qwv h MET 5 Ca 0.00 -0.05 -0.62 0.00 -2.06 0.00 0.00 59.70 56.97 1qwv h MET 5 Cb 0.49 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.04 1qwv h MET 5 CO 0.00 0.92 0.99 0.21 1.06 0.00 0.00 176.91 180.09 1qwv s LYS 6 N -2.98 3.40 -0.23 1.72 2.20 0.13 -4.97 119.74 119.00 1qwv s LYS 6 Ca -0.00 -1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 54.25 1qwv s LYS 6 Cb 0.10 -4.73 -0.02 0.00 -1.51 0.00 0.00 37.83 31.67 1qwv s LYS 6 CO 0.81 -1.98 1.49 1.21 -0.36 0.00 0.00 175.35 176.52 1qwv s ASN 7 N 4.05 6.53 0.32 1.43 2.47 -1.26 -4.90 114.94 123.58 1qwv s ASN 7 Ca 0.34 1.52 0.01 0.00 0.42 0.00 0.00 52.86 55.16 1qwv s ASN 7 Cb -0.07 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.76 1qwv s ASN 7 CO -0.00 -1.15 1.95 -0.07 -3.72 0.00 0.00 177.10 174.11 1qwv h LEU 8 N 11.20 0.85 -1.59 3.21 4.07 -1.93 0.24 115.31 131.36 1qwv h LEU 8 Ca -0.31 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.60 1qwv h LEU 8 Cb 1.13 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1qwv h LEU 8 CO 1.01 0.57 -0.22 0.77 -1.08 0.00 0.00 178.44 179.49 1qwv h SER 9 N 0.98 0.00 1.08 -0.43 4.64 -1.90 -0.33 113.55 117.59 1qwv h SER 9 Ca 0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 1qwv h SER 9 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1qwv h SER 9 CO -0.10 0.22 -0.52 -1.13 -0.87 0.00 0.00 176.83 174.43 1qwv h ASN 10 N 0.00 0.00 -0.25 4.97 -1.24 -1.34 -1.89 115.58 115.83 1qwv h ASN 10 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1qwv h ASN 10 Cb 0.42 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1qwv h ASN 10 CO 0.03 0.52 -0.03 0.78 -1.29 0.00 0.00 177.43 177.44 1qwv h ASN 11 N 0.00 0.46 0.00 1.15 4.21 -0.28 -3.34 115.58 117.78 1qwv h ASN 11 Ca -0.01 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.17 1qwv h ASN 11 Cb 1.20 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1qwv h ASN 11 CO 0.07 0.69 0.00 0.49 -1.29 0.00 0.00 177.43 177.39 1qwv n PHE 12 N -4.59 0.00 -3.62 1.19 3.72 -0.47 -4.85 117.46 108.84 1qwv n PHE 12 Ca -0.04 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.10 1qwv n PHE 12 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.35 -0.47 0.28 1.37 0.00 -0.72 -4.84 105.19 100.46 1qwv n GLY 13 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.09 0.82 -2.29 1.61 1.57 -1.88 -3.38 116.57 111.93 1qwv h LYS 14 Ca -0.46 -0.27 -0.46 0.00 -1.87 0.00 0.00 60.65 57.59 1qwv h LYS 14 Cb 1.31 -0.07 -0.35 0.00 0.08 0.00 0.00 32.23 33.19 1qwv h LYS 14 CO 0.59 0.88 -0.75 0.00 -0.57 0.00 0.00 179.45 179.61 1qwv s ALA 15 N -4.84 0.18 0.24 3.86 0.00 -1.26 -5.00 121.76 114.94 1qwv s ALA 15 Ca -0.10 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1qwv s ALA 15 Cb 0.14 -1.79 0.27 0.00 0.00 0.00 0.00 23.12 21.74 1qwv s ALA 15 CO 0.83 -2.03 1.58 1.98 0.00 0.00 0.00 175.76 178.11 1qwv h MET 16 N 7.31 0.27 -0.19 0.00 4.05 -1.99 -3.11 114.93 121.28 1qwv h MET 16 Ca 0.01 -0.17 0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1qwv h MET 16 Cb 1.02 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 1qwv h MET 16 CO 0.26 0.76 0.14 0.22 0.23 0.00 0.00 176.91 178.52 1qwv h ASP 17 N 0.21 0.00 1.08 1.39 3.58 -1.96 -1.76 116.42 118.95 1qwv h ASP 17 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1qwv h ASP 17 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1qwv h ASP 17 CO 0.09 0.00 -0.94 1.56 -2.88 0.00 0.00 179.24 177.07 1qwv h GLN 18 N 0.00 0.00 -0.04 0.28 4.20 -1.98 -2.22 115.11 115.35 1qwv h GLN 18 Ca 0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 1qwv h GLN 18 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1qwv h GLN 18 CO -0.00 0.07 -0.86 0.00 -0.67 0.00 0.00 178.83 177.37 1qwv h LYS 20 N 0.29 0.53 -0.08 0.00 3.11 -1.32 -1.03 116.57 118.07 1qwv h LYS 20 Ca -0.06 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.63 1qwv h LYS 20 Cb 1.48 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.62 1qwv h LYS 20 CO 0.15 0.53 -0.12 0.22 -2.81 0.00 0.00 179.45 177.43 1qwv h ASP 21 N 0.42 0.24 -0.47 4.20 3.58 -1.44 0.31 116.42 123.25 1qwv h ASP 21 Ca 0.12 -0.53 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 1qwv h ASP 21 Cb 0.21 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1qwv h ASP 21 CO -0.01 0.73 -0.18 -0.08 -2.88 0.00 0.00 179.24 176.82 1qwv h GLU 22 N -0.25 0.95 0.00 0.28 4.57 -1.29 -2.01 114.58 116.83 1qwv h GLU 22 Ca 0.01 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 1qwv h GLU 22 Cb 0.68 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1qwv h GLU 22 CO 0.03 1.06 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.71 1qwv h LEU 23 N 0.80 0.00 -1.53 1.64 -0.00 -1.28 -3.47 115.31 111.46 1qwv h LEU 23 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.68 1qwv h LEU 23 Cb 0.75 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 41.56 1qwv h LEU 23 CO 0.06 0.14 -0.69 -1.20 -0.00 0.00 0.00 178.44 176.74 1qwv n SER 24 N -3.16 -2.77 -4.71 -0.43 7.64 -0.01 -4.93 113.62 105.25 1qwv n SER 24 Ca 0.03 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.93 1qwv n SER 24 Cb 0.54 -4.73 -0.03 0.00 -1.01 0.00 0.00 64.21 58.98 1qwv n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwv s LEU 25 N -6.14 4.38 0.58 -3.43 2.01 -0.56 -4.98 118.68 110.52 1qwv s LEU 25 Ca 0.10 2.77 -0.19 0.00 0.01 0.00 0.00 54.13 56.82 1qwv s LEU 25 Cb -0.04 -3.59 -0.04 0.00 0.01 0.00 0.00 46.19 42.53 1qwv s LEU 25 CO 0.67 -0.95 1.19 -2.84 1.01 0.00 0.00 176.35 175.43 1qwv s PRO 26 N 1.71 3.10 0.46 1.29 0.02 -1.26 -4.80 135.00 135.51 1qwv s PRO 26 Ca 0.76 1.78 0.12 0.00 0.02 0.00 0.00 61.00 63.67 1qwv s PRO 26 Cb -0.47 -1.97 1.03 0.00 0.02 0.00 0.00 34.50 33.12 1qwv s PRO 26 CO 0.33 -1.09 2.07 0.38 -0.33 0.00 0.00 177.00 178.35 1qwv h ASP 27 N 1.01 0.19 -0.22 2.53 2.03 -1.99 -0.15 116.42 119.82 1qwv h ASP 27 Ca -0.50 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 55.75 1qwv h ASP 27 Cb 1.29 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1qwv h ASP 27 CO 0.56 0.19 -0.01 0.28 -1.03 0.00 0.00 179.24 179.23 1qwv h SER 28 N 0.22 0.38 0.12 4.15 0.02 -1.99 -2.58 113.55 113.86 1qwv h SER 28 Ca 0.06 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1qwv h SER 28 Cb 0.07 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1qwv h SER 28 CO -0.00 0.61 -0.06 0.58 -1.14 0.00 0.00 176.83 176.82 1qwv h VAL 29 N 0.15 1.06 -0.50 2.27 2.07 -1.68 -2.41 116.25 117.21 1qwv h VAL 29 Ca 0.06 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1qwv h VAL 29 Cb 0.42 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1qwv h VAL 29 CO 0.01 0.25 0.32 1.62 0.02 0.00 0.00 177.57 179.79 1qwv h VAL 30 N -0.73 1.13 0.11 2.57 3.04 -1.17 0.36 116.25 121.57 1qwv h VAL 30 Ca -0.02 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1qwv h VAL 30 Cb 0.54 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1qwv h VAL 30 CO 0.03 0.13 -0.05 0.00 -1.01 0.00 0.00 177.57 176.66 1qwv h ALA 31 N 1.68 -0.15 -0.30 3.17 0.00 -1.49 -2.42 119.26 119.75 1qwv h ALA 31 Ca 0.18 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1qwv h ALA 31 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qwv h ALA 31 CO -0.04 -0.45 -0.40 0.22 0.00 0.00 0.00 179.25 178.58 1qwv h ASP 32 N -0.42 0.76 -0.08 0.00 3.58 -0.88 -2.42 116.42 116.95 1qwv h ASP 32 Ca -0.02 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.10 1qwv h ASP 32 Cb 0.34 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1qwv h ASP 32 CO 0.03 1.07 0.06 0.17 -2.88 0.00 0.00 179.24 177.68 1qwv h LEU 33 N 0.58 0.07 0.00 2.28 8.10 -0.31 -1.59 115.31 124.44 1qwv h LEU 33 Ca 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.04 1qwv h LEU 33 Cb 0.94 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 1qwv h LEU 33 CO 0.09 0.05 0.00 -1.22 -4.11 0.00 0.00 178.44 173.25 1qwv n TYR 34 N -4.53 0.00 -1.53 0.17 4.01 -0.91 -4.84 117.16 109.54 1qwv n TYR 34 Ca -0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.26 1qwv n TYR 34 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1qwv n TYR 34 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qwv n ASN 35 N -0.51 2.78 0.12 7.72 3.02 -0.60 -4.80 115.26 122.99 1qwv n ASN 35 Ca 0.00 0.30 0.13 0.00 -0.03 0.00 0.00 54.58 54.98 1qwv n ASN 35 Cb 0.00 -1.43 0.43 0.00 -0.61 0.00 0.00 39.78 38.18 1qwv n ASN 35 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1qwv n PHE 36 N 10.86 0.93 -2.84 3.10 3.72 -1.26 -4.80 117.46 127.17 1qwv n PHE 36 Ca 0.35 0.30 -0.28 0.00 -0.05 0.00 0.00 57.45 57.77 1qwv n PHE 36 Cb 0.35 -0.99 -0.01 0.00 -0.94 0.00 0.00 39.48 37.89 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 -3.19 3.52 -0.70 1.38 0.51 -1.26 -4.97 118.94 114.24 1qwv s TRP 37 Ca 0.08 0.81 -0.05 0.00 -2.12 0.00 0.00 56.10 54.82 1qwv s TRP 37 Cb 0.11 -2.28 -0.01 0.00 -0.81 0.00 0.00 33.47 30.48 1qwv s TRP 37 CO 0.53 -0.14 2.88 0.36 -0.51 0.00 0.00 176.95 180.07 1qwv n LYS 38 N -1.80 3.01 -0.32 4.98 2.85 -1.26 -4.73 118.16 120.89 1qwv n LYS 38 Ca 0.00 -2.32 0.14 0.00 -1.05 0.00 0.00 58.31 55.09 1qwv n LYS 38 Cb 0.55 -2.31 0.30 0.00 -0.65 0.00 0.00 35.03 32.92 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 3.62 -0.24 -5.01 -5.58 1.82 -1.93 -3.47 116.42 105.64 1qwv h ASP 39 Ca 0.48 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 1qwv h ASP 39 Cb 0.74 0.38 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1qwv h ASP 39 CO 0.99 -0.27 -0.02 -0.67 -1.61 0.00 0.00 179.24 177.65 1qwv n ASP 40 N -5.37 -6.93 -4.76 2.28 2.03 -1.26 -5.05 116.55 97.48 1qwv n ASP 40 Ca 0.23 -0.04 -0.22 0.00 0.52 0.00 0.00 54.79 55.28 1qwv n ASP 40 Cb 0.74 -4.67 -0.05 0.00 -0.72 0.00 0.00 41.12 36.42 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1qwv s TYR 41 N -2.97 2.80 -0.38 -0.67 -0.85 -1.26 -5.08 117.35 108.94 1qwv s TYR 41 Ca 0.01 -0.32 -0.26 0.00 -0.52 0.00 0.00 57.07 55.99 1qwv s TYR 41 Cb -0.00 -1.61 0.02 0.00 0.38 0.00 0.00 41.96 40.74 1qwv s TYR 41 CO 0.64 0.34 0.92 0.08 -1.52 0.00 0.00 175.55 176.02 1qwv s VAL 42 N -2.35 4.57 -0.51 -3.49 1.01 -1.26 -4.97 120.40 113.39 1qwv s VAL 42 Ca 0.37 1.15 -0.27 0.00 0.00 0.00 0.00 61.98 63.23 1qwv s VAL 42 Cb -0.04 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1qwv s VAL 42 CO 0.24 -0.57 1.72 -0.32 0.00 0.00 0.00 175.10 176.17 1qwv s MET 43 N 3.50 3.02 -0.01 2.72 1.75 -1.26 -4.79 119.30 124.22 1qwv s MET 43 Ca 0.38 0.82 0.13 0.00 -1.25 0.00 0.00 55.69 55.76 1qwv s MET 43 Cb -0.12 -4.26 -0.19 0.00 2.84 0.00 0.00 34.83 33.10 1qwv s MET 43 CO 0.19 -2.26 0.32 0.25 -0.65 0.00 0.00 175.02 172.88 1qwv n THR 44 N 7.18 0.00 -3.43 10.11 -2.24 -1.26 -4.89 114.28 119.75 1qwv n THR 44 Ca 0.19 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 1qwv n THR 44 Cb 0.50 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 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 -3.28 6.88 0.26 3.42 -1.08 -1.26 -4.98 116.67 116.63 1qwv s ASP 45 Ca -0.03 1.04 0.05 0.00 -0.52 0.00 0.00 52.55 53.09 1qwv s ASP 45 Cb 0.08 -2.28 0.33 0.00 -1.46 0.00 0.00 42.92 39.59 1qwv s ASP 45 CO 0.53 0.30 1.62 0.03 0.52 0.00 0.00 175.17 178.17 1qwv h ARG 46 N 4.72 0.24 0.00 4.34 -0.00 -1.93 -2.41 114.38 119.34 1qwv h ARG 46 Ca -0.51 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 1qwv h ARG 46 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.20 1qwv h ARG 46 CO 0.62 0.71 0.00 -0.07 0.00 0.00 0.00 179.97 181.23 1qwv h LEU 47 N 0.19 0.00 0.00 3.04 -0.00 -1.95 -2.71 115.31 113.87 1qwv h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1qwv h LEU 47 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1qwv h LEU 47 CO 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 178.44 178.49 1qwv h ALA 48 N 2.34 0.00 -1.00 1.53 0.00 -1.81 -2.08 119.26 118.24 1qwv h ALA 48 Ca 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.12 1qwv h ALA 48 Cb 0.51 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.14 1qwv h ALA 48 CO 0.00 0.03 -0.09 0.78 0.00 0.00 0.00 179.25 179.97 1qwv h GLY 49 N -0.90 1.03 0.98 0.00 0.00 -1.59 -0.80 103.07 101.79 1qwv h GLY 49 Ca 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 1qwv h GLY 49 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 176.54 176.08 1qwv h ALA 51 N 0.91 1.24 -0.91 0.00 0.00 -0.44 -1.97 119.26 118.08 1qwv h ALA 51 Ca 0.13 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1qwv h ALA 51 Cb 0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1qwv h ALA 51 CO 0.02 0.06 0.59 0.82 0.00 0.00 0.00 179.25 180.74 1qwv h ILE 52 N 0.00 0.96 -2.70 0.00 1.08 -1.09 -3.28 117.51 112.48 1qwv h ILE 52 Ca -0.00 -0.31 -0.60 0.00 -0.39 0.00 0.00 64.86 63.56 1qwv h ILE 52 Cb 0.18 -0.02 -0.40 0.00 -3.07 0.00 0.00 36.82 33.51 1qwv h ILE 52 CO 0.01 0.16 -0.80 0.54 -0.69 0.00 0.00 178.15 177.38 1qwv s ASN 53 N -5.88 2.97 -0.07 1.72 2.20 -0.74 -4.90 114.94 110.23 1qwv s ASN 53 Ca -0.11 -3.33 -0.03 0.00 -0.94 0.00 0.00 52.86 48.46 1qwv s ASN 53 Cb 0.21 -0.96 -0.04 0.00 -2.00 0.00 0.00 41.25 38.47 1qwv s ASN 53 CO 0.80 -0.15 -0.09 0.00 -2.94 0.00 0.00 177.10 174.72 1qwv h LEU 55 N -0.19 -0.18 0.00 0.00 7.12 -1.88 -1.14 115.31 119.04 1qwv h LEU 55 Ca -0.18 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1qwv h LEU 55 Cb 1.19 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1qwv h LEU 55 CO -0.09 -0.11 -0.08 0.00 -0.13 0.00 0.00 178.44 178.03 1qwv n ALA 56 N -2.14 2.51 0.10 1.25 0.00 -1.26 -2.24 120.51 118.72 1qwv n ALA 56 Ca -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1qwv n ALA 56 Cb 0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.00 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 1.45 0.00 0.00 2.02 -1.79 -3.08 112.91 111.50 1qwv h THR 57 Ca 0.00 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1qwv h THR 57 Cb 0.52 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1qwv h THR 57 CO 0.00 0.84 -0.06 0.11 0.37 0.00 0.00 175.52 176.78 1qwv h LYS 58 N 0.13 0.00 0.81 6.66 1.57 -0.86 -3.27 116.57 121.61 1qwv h LYS 58 Ca -0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1qwv h LYS 58 Cb 1.88 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.20 1qwv h LYS 58 CO 0.20 0.00 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.62 1qwv h LEU 59 N 0.00 -0.92 -6.14 2.94 -0.00 -1.46 -3.47 115.31 106.26 1qwv h LEU 59 Ca 0.00 0.03 0.24 0.00 -0.00 0.00 0.00 57.88 58.15 1qwv h LEU 59 Cb 0.87 0.24 -0.25 0.00 -0.00 0.00 0.00 40.66 41.52 1qwv h LEU 59 CO 0.00 -0.56 0.37 -0.62 -0.00 0.00 0.00 178.44 177.63 1qwv s ASP 60 N -4.26 -0.24 -0.04 -0.43 2.15 -1.17 -5.06 116.67 107.62 1qwv s ASP 60 Ca -0.16 0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.17 1qwv s ASP 60 Cb 0.02 1.25 0.15 0.00 -0.30 0.00 0.00 42.92 44.04 1qwv s ASP 60 CO 0.47 -0.05 1.10 0.55 -0.17 0.00 0.00 175.17 177.07 1qwv n VAL 61 N 4.94 0.04 -3.88 1.11 3.14 -1.25 -4.80 118.33 117.63 1qwv n VAL 61 Ca -0.08 -0.42 -0.36 0.00 -2.96 0.00 0.00 64.34 60.53 1qwv n VAL 61 Cb 0.54 0.69 -0.13 0.00 -1.06 0.00 0.00 33.84 33.88 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 -0.12 4.05 -0.08 1.55 -7.23 -1.26 -3.97 120.40 113.34 1qwv s VAL 62 Ca 0.09 -0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 59.87 1qwv s VAL 62 Cb 0.14 -2.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 1qwv s VAL 62 CO -0.05 0.38 0.46 -0.78 -0.31 0.00 0.00 175.10 174.81 1qwv h ASP 63 N 7.95 -0.16 0.00 4.85 3.58 -1.87 -3.46 116.42 127.31 1qwv h ASP 63 Ca -0.38 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1qwv h ASP 63 Cb 1.17 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1qwv h ASP 63 CO 0.60 0.39 0.00 -0.81 -2.88 0.00 0.00 179.24 176.53 1qwv n PRO 64 N -4.89 2.45 0.00 0.28 -0.04 -1.26 -4.92 135.00 126.63 1qwv n PRO 64 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1qwv n PRO 64 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qwv n ASP 65 N 0.00 0.12 0.00 3.54 8.00 -1.26 -4.83 116.55 122.12 1qwv n ASP 65 Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1qwv n ASP 65 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.13 2.26 3.78 0.44 0.00 -1.26 -5.07 105.19 105.46 1qwv n GLY 66 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.84 5.41 -0.86 1.61 4.22 -1.26 -3.94 114.94 118.29 1qwv s ASN 67 Ca 0.00 2.04 -0.03 0.00 -2.14 0.00 0.00 52.86 52.73 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 -1.43 0.45 -0.11 -2.04 0.00 0.00 177.10 173.98 1qwv n LEU 68 N -1.96 -2.39 -4.57 3.54 -0.00 -1.26 -4.63 117.00 105.73 1qwv n LEU 68 Ca 0.11 -0.21 -0.32 0.00 -0.00 0.00 0.00 56.01 55.59 1qwv n LEU 68 Cb 0.52 -1.93 -0.05 0.00 -0.00 0.00 0.00 43.42 41.96 1qwv n LEU 68 CO 0.46 0.21 1.64 0.00 -0.00 0.00 0.00 177.39 179.69 1qwv n HIS 69 N -3.96 3.22 -0.06 1.96 1.44 -1.25 -4.63 115.22 111.93 1qwv n HIS 69 Ca -0.04 -1.82 -0.03 0.00 -2.01 0.00 0.00 57.72 53.82 1qwv n HIS 69 Cb 0.56 -2.62 -0.01 0.00 0.12 0.00 0.00 29.99 28.04 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 9.13 0.00 0.77 -1.40 6.17 -1.90 -3.36 115.15 124.56 1qwv h HIS 70 Ca 0.28 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.32 1qwv h HIS 70 Cb 0.92 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.85 1qwv h HIS 70 CO 1.27 0.00 -0.38 0.78 0.71 0.00 0.00 177.93 180.31 1qwv h GLY 71 N -0.96 -1.11 1.88 5.26 0.00 -1.95 -2.24 103.07 103.96 1qwv h GLY 71 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.75 1qwv h GLY 71 CO 0.00 -0.40 0.05 -0.57 0.00 0.00 0.00 176.54 175.62 1qwv h ASN 72 N -1.05 0.00 0.11 0.19 -1.24 -1.87 0.25 115.58 111.97 1qwv h ASN 72 Ca -0.11 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.70 1qwv h ASN 72 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1qwv h ASN 72 CO 0.17 0.00 -0.79 0.00 -1.29 0.00 0.00 177.43 175.52 1qwv h ALA 73 N 1.93 0.45 0.06 1.57 0.00 -1.59 0.59 119.26 122.27 1qwv h ALA 73 Ca 0.01 -0.62 -0.24 0.00 0.00 0.00 0.00 54.91 54.06 1qwv h ALA 73 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qwv h ALA 73 CO -0.00 0.74 -1.14 0.87 0.00 0.00 0.00 179.25 179.71 1qwv h LYS 74 N 0.37 0.14 -0.84 0.00 1.79 -0.60 -2.33 116.57 115.10 1qwv h LYS 74 Ca -0.05 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1qwv h LYS 74 Cb 1.39 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 32.09 1qwv h LYS 74 CO 0.15 1.10 0.40 0.22 -1.08 0.00 0.00 179.45 180.23 1qwv h ASP 75 N 0.04 1.11 -0.57 0.86 1.82 -0.53 0.24 116.42 119.40 1qwv h ASP 75 Ca -0.08 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1qwv h ASP 75 Cb 1.88 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 41.58 1qwv h ASP 75 CO 0.16 0.94 0.21 0.15 -1.61 0.00 0.00 179.24 179.10 1qwv h PHE 76 N 1.21 0.88 -0.24 0.28 3.57 -0.84 -2.00 116.94 119.79 1qwv h PHE 76 Ca 0.29 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1qwv h PHE 76 Cb 0.13 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1qwv h PHE 76 CO 0.02 0.72 -0.53 0.00 -2.23 0.00 0.00 178.31 176.29 1qwv h ALA 77 N 1.06 0.61 -0.08 2.41 0.00 -0.90 0.06 119.26 122.44 1qwv h ALA 77 Ca 0.19 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1qwv h ALA 77 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qwv h ALA 77 CO -0.01 0.68 -0.48 0.52 0.00 0.00 0.00 179.25 179.96 1qwv h MET 78 N 0.54 0.20 0.00 0.00 2.86 -0.46 -1.32 114.93 116.76 1qwv h MET 78 Ca 0.02 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1qwv h MET 78 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1qwv h MET 78 CO 0.11 0.64 -0.68 1.17 1.06 0.00 0.00 176.91 179.20 1qwv n LYS 79 N -3.97 0.02 -3.43 1.72 3.00 -0.76 -4.48 118.16 110.26 1qwv n LYS 79 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.03 1qwv n LYS 79 Cb 0.52 -1.51 -0.11 0.00 0.00 0.00 0.00 35.03 33.93 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 -3.01 0.47 0.00 5.64 3.76 0.00 -4.97 115.29 117.17 1qwv s HIS 80 Ca 0.10 -1.45 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 1qwv s HIS 80 Cb 0.17 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 33.08 1qwv s HIS 80 CO 0.76 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1qwv n GLY 81 N 4.05 2.34 3.70 -2.22 0.00 -1.20 -4.44 105.19 107.43 1qwv n GLY 81 Ca 0.12 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 3.35 0.65 4.61 0.00 -0.52 -4.48 121.76 125.37 1qwv s ALA 82 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1qwv s ALA 82 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1qwv s ALA 82 CO 0.00 0.60 1.04 0.16 0.00 0.00 0.00 175.76 177.57 1qwv s ASP 83 N -1.02 5.81 0.07 0.00 1.47 -1.26 -3.94 116.67 117.80 1qwv s ASP 83 Ca 0.15 1.53 -0.23 0.00 1.18 0.00 0.00 52.55 55.18 1qwv s ASP 83 Cb -0.11 -2.49 -0.15 0.00 -0.34 0.00 0.00 42.92 39.83 1qwv s ASP 83 CO 0.04 -1.15 1.67 1.05 0.68 0.00 0.00 175.17 177.45 1qwv h GLU 84 N -0.45 0.02 0.00 2.11 9.09 -1.95 0.23 114.58 123.63 1qwv h GLU 84 Ca -0.44 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.97 1qwv h GLU 84 Cb 1.20 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1qwv h GLU 84 CO 0.59 0.09 -0.01 0.00 0.05 0.00 0.00 179.01 179.74 1qwv h THR 85 N -0.06 0.87 0.09 -1.06 1.03 -1.96 0.65 112.91 112.48 1qwv h THR 85 Ca 0.01 -0.02 -0.13 0.00 -0.01 0.00 0.00 66.41 66.26 1qwv h THR 85 Cb 0.08 1.01 0.01 0.00 -1.07 0.00 0.00 68.15 68.19 1qwv h THR 85 CO -0.00 0.01 -0.55 -0.03 -0.01 0.00 0.00 175.52 174.93 1qwv h MET 86 N 0.00 0.21 -0.68 0.00 1.85 -1.50 -0.86 114.93 113.95 1qwv h MET 86 Ca -0.00 -0.35 0.06 0.00 -0.61 0.00 0.00 59.70 58.80 1qwv h MET 86 Cb 0.01 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1qwv h MET 86 CO 0.00 1.16 0.45 0.00 -0.40 0.00 0.00 176.91 178.12 1qwv h ALA 87 N 0.06 1.74 0.00 0.39 0.00 -0.10 -0.53 119.26 120.82 1qwv h ALA 87 Ca -0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1qwv h ALA 87 Cb 1.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1qwv h ALA 87 CO 0.10 0.15 -0.34 1.96 0.00 0.00 0.00 179.25 181.13 1qwv h GLN 88 N 0.70 0.00 0.00 0.00 7.50 0.36 0.24 115.11 123.91 1qwv h GLN 88 Ca 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.39 1qwv h GLN 88 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 1qwv h GLN 88 CO -0.09 0.34 -0.28 1.96 -1.50 0.00 0.00 178.83 179.26 1qwv h GLN 89 N 0.00 0.00 0.16 1.46 1.08 0.36 -3.30 115.11 114.86 1qwv h GLN 89 Ca -0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 1qwv h GLN 89 Cb 0.92 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1qwv h GLN 89 CO 0.04 0.28 -1.52 1.25 -0.95 0.00 0.00 178.83 177.93 1qwv h LEU 90 N 0.00 0.52 -1.42 1.46 5.85 -0.23 -3.36 115.31 118.12 1qwv h LEU 90 Ca -0.00 -0.90 0.06 0.00 0.84 0.00 0.00 57.88 57.88 1qwv h LEU 90 Cb 1.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1qwv h LEU 90 CO 0.04 1.68 0.45 -0.37 -0.34 0.00 0.00 178.44 179.90 1qwv h VAL 91 N -0.11 1.01 -0.36 1.05 -1.51 -0.65 -0.41 116.25 115.27 1qwv h VAL 91 Ca -0.31 -0.24 -0.06 0.00 -1.23 0.00 0.00 66.70 64.86 1qwv h VAL 91 Cb 1.92 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1qwv h VAL 91 CO 0.13 0.13 -0.00 -0.78 -1.23 0.00 0.00 177.57 175.82 1qwv h ASP 92 N 0.70 0.63 -0.51 4.19 3.58 -1.73 -1.70 116.42 121.58 1qwv h ASP 92 Ca 0.30 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1qwv h ASP 92 Cb 0.27 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1qwv h ASP 92 CO -0.10 0.78 0.26 0.40 -2.88 0.00 0.00 179.24 177.71 1qwv h ILE 93 N 0.45 1.19 -0.58 2.25 5.03 -1.49 -2.42 117.51 121.94 1qwv h ILE 93 Ca 0.10 -0.51 0.11 0.00 -0.12 0.00 0.00 64.86 64.44 1qwv h ILE 93 Cb 0.46 0.59 -0.08 0.00 -3.03 0.00 0.00 36.82 34.76 1qwv h ILE 93 CO 0.02 0.21 0.11 0.40 -0.68 0.00 0.00 178.15 178.21 1qwv h ILE 94 N 0.68 0.64 -0.23 -0.67 2.04 -0.63 0.59 117.51 119.93 1qwv h ILE 94 Ca 0.18 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 1qwv h ILE 94 Cb 0.09 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1qwv h ILE 94 CO -0.02 0.04 -0.49 0.45 0.00 0.00 0.00 178.15 178.13 1qwv h HIS 95 N 0.24 0.74 0.16 1.37 3.86 -1.17 -1.15 115.15 119.21 1qwv h HIS 95 Ca 0.30 -0.24 -0.29 0.00 -1.16 0.00 0.00 60.37 58.98 1qwv h HIS 95 Cb 0.45 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.78 1qwv h HIS 95 CO -0.26 0.97 -1.39 0.78 0.86 0.00 0.00 177.93 178.90 1qwv h GLY 96 N 1.02 0.40 1.05 2.45 0.00 -0.81 -2.68 103.07 104.50 1qwv h GLY 96 Ca 0.02 -1.01 -0.19 0.00 0.00 0.00 0.00 47.33 46.15 1qwv h GLY 96 CO 0.10 0.89 -0.65 0.00 0.00 0.00 0.00 176.54 176.87 1qwv h GLU 98 N 0.39 0.97 -0.29 0.00 4.39 -1.33 0.27 114.58 118.97 1qwv h GLU 98 Ca -0.04 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 1qwv h GLU 98 Cb 1.28 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1qwv h GLU 98 CO 0.14 0.64 -0.27 -0.22 -1.16 0.00 0.00 179.01 178.13 1qwv h LYS 99 N 1.00 0.69 -0.51 2.33 3.64 -1.21 -3.29 116.57 119.22 1qwv h LYS 99 Ca 0.41 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1qwv h LYS 99 Cb 0.29 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1qwv h LYS 99 CO -0.17 0.97 0.00 0.43 -2.27 0.00 0.00 179.45 178.41 1qwv n SER 100 N -4.28 3.20 -4.75 4.20 7.64 0.49 -4.95 113.62 115.18 1qwv n SER 100 Ca -0.04 -1.97 -0.36 0.00 1.01 0.00 0.00 58.87 57.51 1qwv n SER 100 Cb 0.46 -0.34 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.32 2.53 1.05 -0.43 0.00 0.91 -4.99 121.76 119.50 1qwv s ALA 101 Ca 0.40 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 1qwv s ALA 101 Cb 0.22 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 20.01 1qwv s ALA 101 CO 0.29 -1.23 0.63 -2.30 0.00 0.00 0.00 175.76 173.16 1qwv n PRO 102 N -1.60 -1.26 -0.20 0.00 -0.02 -1.26 -4.79 135.00 125.87 1qwv n PRO 102 Ca 0.14 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1qwv n PRO 102 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qwv n PRO 103 N -3.25 0.46 -3.36 0.52 -0.02 -1.26 -4.71 135.00 123.38 1qwv n PRO 103 Ca 0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.09 1qwv n PRO 103 Cb 0.55 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.86 6.16 -1.09 2.55 -0.87 -1.26 -5.00 114.94 117.29 1qwv s ASN 104 Ca 0.00 -1.31 -0.22 0.00 -1.57 0.00 0.00 52.86 49.76 1qwv s ASN 104 Cb 0.00 -2.20 0.04 0.00 -0.02 0.00 0.00 41.25 39.08 1qwv s ASN 104 CO 0.00 -0.68 1.58 -0.62 -2.57 0.00 0.00 177.10 174.81 1qwv s ASP 105 N 2.66 6.43 -0.38 -1.22 2.15 -1.26 -4.91 116.67 120.14 1qwv s ASP 105 Ca 0.05 -1.66 -0.04 0.00 0.43 0.00 0.00 52.55 51.33 1qwv s ASP 105 Cb -0.24 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.89 1qwv s ASP 105 CO 0.07 -1.57 0.15 -0.62 -0.17 0.00 0.00 175.17 173.03 1qwv s ASP 106 N 5.08 5.24 0.00 -0.34 -1.08 -1.26 -5.03 116.67 119.28 1qwv s ASP 106 Ca 0.51 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1qwv s ASP 106 Cb 0.00 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1qwv s ASP 106 CO -0.04 -0.45 0.55 1.17 0.52 0.00 0.00 175.17 176.91 1qwv n LYS 107 N 4.68 0.00 0.03 4.34 4.81 -1.26 -1.89 118.16 128.87 1qwv n LYS 107 Ca -0.07 0.55 0.11 0.00 -0.87 0.00 0.00 58.31 58.02 1qwv n LYS 107 Cb 0.42 -0.94 -0.02 0.00 0.02 0.00 0.00 35.03 34.52 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 -0.87 0.00 2.86 -1.79 -3.32 114.93 111.81 1qwv h MET 109 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1qwv h MET 109 Cb 0.78 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1qwv h MET 109 CO 0.00 0.21 0.58 1.57 1.06 0.00 0.00 176.91 180.33 1qwv h LYS 110 N 0.00 1.12 0.00 1.72 -0.00 -1.59 0.35 116.57 118.17 1qwv h LYS 110 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.53 1qwv h LYS 110 Cb 1.27 -0.25 0.00 0.00 -0.00 0.00 0.00 32.23 33.25 1qwv h LYS 110 CO 0.03 0.74 0.16 1.15 -0.00 0.00 0.00 179.45 181.53 1qwv h THR 111 N 1.15 0.00 0.08 0.07 2.02 -1.83 -0.97 112.91 113.43 1qwv h THR 111 Ca 0.33 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.16 1qwv h THR 111 Cb -0.08 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1qwv h THR 111 CO -0.08 0.00 -1.96 -0.38 0.37 0.00 0.00 175.52 173.47 1qwv n ILE 112 N -2.48 1.70 -0.21 3.11 -0.00 0.12 -2.17 119.36 119.44 1qwv n ILE 112 Ca -0.02 -0.70 0.03 0.00 -0.00 0.00 0.00 62.75 62.07 1qwv n ILE 112 Cb 0.20 -1.47 0.29 0.00 -0.00 0.00 0.00 39.64 38.65 1qwv n ILE 112 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1qwv h ASP 113 N 0.04 0.79 0.81 4.38 3.58 -0.99 0.24 116.42 125.27 1qwv h ASP 113 Ca -0.40 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 56.80 1qwv h ASP 113 Cb 2.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.88 1qwv h ASP 113 CO 0.07 0.54 -1.15 -0.37 -2.88 0.00 0.00 179.24 175.45 1qwv h VAL 114 N 0.91 1.57 -0.08 2.25 -1.51 -1.53 -2.30 116.25 115.56 1qwv h VAL 114 Ca 0.30 -3.23 -0.01 0.00 -1.23 0.00 0.00 66.70 62.54 1qwv h VAL 114 Cb 0.07 2.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1qwv h VAL 114 CO -0.09 0.92 0.03 0.00 -1.23 0.00 0.00 177.57 177.20 1qwv h ALA 115 N 0.82 0.11 0.00 5.19 0.00 -0.87 -1.96 119.26 122.54 1qwv h ALA 115 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qwv h ALA 115 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1qwv h ALA 115 CO 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1qwv n MET 116 N -4.93 0.15 0.10 0.00 -0.00 0.78 -1.04 117.12 112.18 1qwv n MET 116 Ca -0.06 0.40 -0.05 0.00 -0.00 0.00 0.00 57.70 57.99 1qwv n MET 116 Cb 0.12 -1.80 0.09 0.00 -0.00 0.00 0.00 33.22 31.63 1qwv n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qwv h PHE 118 N 0.09 0.31 0.00 0.00 3.57 -0.38 -2.56 116.94 117.98 1qwv h PHE 118 Ca -0.02 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1qwv h PHE 118 Cb 1.25 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1qwv h PHE 118 CO 0.02 0.89 -0.19 1.57 -2.23 0.00 0.00 178.31 178.37 1qwv h LYS 119 N -0.36 0.00 0.19 1.11 -0.00 -1.52 0.13 116.57 116.12 1qwv h LYS 119 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1qwv h LYS 119 Cb 0.94 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.14 1qwv h LYS 119 CO 0.05 0.19 -0.23 -0.22 -0.00 0.00 0.00 179.45 179.24 1qwv h LYS 120 N 0.00 -0.45 -0.18 0.07 3.64 -1.46 -1.22 116.57 116.96 1qwv h LYS 120 Ca -0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1qwv h LYS 120 Cb 0.62 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1qwv h LYS 120 CO 0.02 -0.30 0.07 0.93 -2.27 0.00 0.00 179.45 177.90 1qwv h GLU 121 N -0.47 0.15 -0.17 1.90 4.39 -0.75 -1.91 114.58 117.72 1qwv h GLU 121 Ca 0.01 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1qwv h GLU 121 Cb 0.46 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1qwv h GLU 121 CO -0.08 0.10 0.12 0.97 -1.16 0.00 0.00 179.01 178.95 1qwv h ILE 122 N 0.15 0.92 -0.07 3.13 2.10 -0.77 -0.12 117.51 122.85 1qwv h ILE 122 Ca 0.07 -0.01 -0.14 0.00 1.08 0.00 0.00 64.86 65.87 1qwv h ILE 122 Cb 0.04 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 1qwv h ILE 122 CO -0.07 0.00 -0.56 0.45 -1.08 0.00 0.00 178.15 176.89 1qwv h HIS 123 N 0.02 0.28 -0.17 2.19 3.86 -0.47 -1.79 115.15 119.07 1qwv h HIS 123 Ca 0.08 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 1qwv h HIS 123 Cb 0.30 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1qwv h HIS 123 CO -0.00 0.73 -0.38 -0.22 0.86 0.00 0.00 177.93 178.92 1qwv h LYS 124 N 0.17 0.37 -0.44 2.45 1.63 -0.39 -2.74 116.57 117.62 1qwv h LYS 124 Ca -0.00 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.54 1qwv h LYS 124 Cb 1.04 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 1qwv h LYS 124 CO 0.09 0.70 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.65 1qwv h LEU 125 N 0.31 0.75 0.00 5.20 3.38 -1.02 -3.46 115.31 120.46 1qwv h LEU 125 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1qwv h LEU 125 Cb 0.81 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1qwv h LEU 125 CO 0.07 0.86 0.00 0.59 0.09 0.00 0.00 178.44 180.04 1qwv n ASN 126 N -4.19 0.00 -2.49 -0.43 3.02 -0.70 -4.72 115.26 105.75 1qwv n ASN 126 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 1qwv n ASN 126 Cb 0.34 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1qwv n ASN 126 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1qwv n TRP 127 N 0.00 -3.22 -3.65 3.10 4.27 -1.26 -4.97 117.44 111.71 1qwv n TRP 127 Ca 0.00 -0.34 -0.36 0.00 -3.89 0.00 0.00 57.50 52.90 1qwv n TRP 127 Cb 0.00 -0.13 -0.09 0.00 -1.36 0.00 0.00 31.31 29.73 1qwv n TRP 127 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1qwv s VAL 128 N -0.27 5.35 0.96 -1.67 0.11 -1.26 -5.08 120.40 118.54 1qwv s VAL 128 Ca 0.12 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 1qwv s VAL 128 Cb -0.01 -3.52 0.17 0.00 -1.53 0.00 0.00 36.38 31.50 1qwv s VAL 128 CO 0.08 0.35 1.12 -0.81 -3.33 0.00 0.00 175.10 172.52 1qwv n PRO 129 N 4.15 -0.78 -2.97 1.54 -0.04 -1.26 -4.97 135.00 130.67 1qwv n PRO 129 Ca -0.15 -0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 62.75 1qwv n PRO 129 Cb 0.52 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 1qwv n PRO 129 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qwv s ASN 130 N -2.60 7.20 0.25 3.54 -0.87 -1.26 -5.06 114.94 116.14 1qwv s ASN 130 Ca 0.67 1.44 0.05 0.00 -1.57 0.00 0.00 52.86 53.45 1qwv s ASN 130 Cb -0.23 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.25 38.50 1qwv s ASN 130 CO 0.59 -0.02 0.34 0.00 -2.57 0.00 0.00 177.10 175.45 1qwv s MET 131 N 0.11 3.33 0.34 -0.60 0.23 -1.26 -5.12 119.30 116.33 1qwv s MET 131 Ca 0.39 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.23 1qwv s MET 131 Cb -0.20 -2.83 -0.03 0.00 -1.53 0.00 0.00 34.83 30.23 1qwv s MET 131 CO 0.23 0.40 0.54 0.16 -2.03 0.00 0.00 175.02 174.32 1qwv s ASP 132 N -3.97 6.31 -0.16 -1.18 -4.77 -1.26 -5.09 116.67 106.55 1qwv s ASP 132 Ca 0.35 0.47 0.02 0.00 -3.30 0.00 0.00 52.55 50.08 1qwv s ASP 132 Cb -0.09 -2.04 0.01 0.00 -1.09 0.00 0.00 42.92 39.71 1qwv s ASP 132 CO 0.28 -0.28 -0.20 -0.22 0.70 0.00 0.00 175.17 175.45 1qwv s LEU 133 N -4.23 2.17 -0.21 2.11 2.96 -1.26 -5.09 118.68 115.12 1qwv s LEU 133 Ca 0.40 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 1qwv s LEU 133 Cb -0.10 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1qwv s LEU 133 CO 0.35 0.05 1.13 0.68 -1.32 0.00 0.00 176.35 177.25 1qwv s VAL 134 N 0.99 4.51 -0.31 1.68 -7.23 -1.26 -5.01 120.40 113.77 1qwv s VAL 134 Ca -0.02 1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 61.74 1qwv s VAL 134 Cb -0.15 -4.20 -0.00 0.00 0.56 0.00 0.00 36.38 32.59 1qwv s VAL 134 CO -0.06 -0.19 0.72 -0.63 -0.31 0.00 0.00 175.10 174.63 1qwv s ILE 135 N 3.38 4.85 -0.38 -0.62 -1.09 -1.26 -5.03 121.20 121.05 1qwv s ILE 135 Ca 0.48 0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 59.74 1qwv s ILE 135 Cb -0.17 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1qwv s ILE 135 CO 0.10 -0.23 0.33 -0.83 -1.23 0.00 0.00 174.94 173.08 1qwv s GLY 136 N 1.66 1.94 -0.73 6.18 0.00 -1.26 -5.03 107.32 110.09 1qwv s GLY 136 Ca 0.29 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 1qwv s GLY 136 CO 0.13 0.96 1.16 1.85 0.00 0.00 0.00 173.10 177.20 1qwv s GLU 137 N 1.88 3.19 -0.42 2.90 2.12 -1.26 -4.98 118.70 122.13 1qwv s GLU 137 Ca 0.09 -0.56 -0.15 0.00 0.36 0.00 0.00 54.97 54.71 1qwv s GLU 137 Cb -0.17 -4.29 0.04 0.00 0.26 0.00 0.00 34.13 29.96 1qwv s GLU 137 CO 0.11 -2.02 0.32 0.08 -0.54 0.00 0.00 175.26 173.21 1qwv s VAL 138 N 4.97 5.17 -0.35 3.70 1.01 -1.26 -4.98 120.40 128.66 1qwv s VAL 138 Ca 0.31 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1qwv s VAL 138 Cb -0.11 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1qwv s VAL 138 CO 0.11 -0.38 0.37 -0.22 0.00 0.00 0.00 175.10 174.98 1qwv s LEU 139 N 1.65 -0.23 -0.14 3.92 2.96 -1.26 -4.97 118.68 120.62 1qwv s LEU 139 Ca 0.04 -1.24 0.16 0.00 -0.22 0.00 0.00 54.13 52.88 1qwv s LEU 139 Cb -0.20 0.65 0.63 0.00 0.50 0.00 0.00 46.19 47.77 1qwv s LEU 139 CO 0.09 -0.30 1.54 0.00 -1.32 0.00 0.00 176.35 176.37 1qwv n ALA 140 N 4.61 3.07 -2.79 5.97 0.00 -1.26 -4.94 120.51 125.17 1qwv n ALA 140 Ca 0.07 -1.78 -0.35 0.00 0.00 0.00 0.00 53.44 51.38 1qwv n ALA 140 Cb 0.46 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1qwv n ALA 140 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qwv s GLU 141 N -2.14 3.46 0.00 0.00 2.56 -1.26 -5.38 118.70 115.94 1qwv s GLU 141 Ca 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.09 1qwv s GLU 141 Cb 0.32 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 33.42 1qwv s GLU 141 CO 0.18 0.54 0.00 0.28 -0.56 0.00 0.00 175.26 175.70