#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 1.13 0.00 1.43 -0.04 -1.26 -4.24 135.00 132.02 1qwv n PRO 2 Ca 0.00 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1qwv n PRO 2 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1qwv n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qwv n GLU 3 N -0.65 0.00 0.00 0.54 4.71 -1.26 -1.84 120.64 122.14 1qwv n GLU 3 Ca 0.21 0.69 0.13 0.00 -0.01 0.00 0.00 57.16 58.18 1qwv n GLU 3 Cb 0.21 -1.47 0.60 0.00 -1.01 0.00 0.00 31.44 29.78 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 -2.35 0.10 0.14 -3.67 0.13 -1.25 -3.25 119.36 109.21 1qwv n ILE 4 Ca 0.00 0.02 -0.01 0.00 -1.10 0.00 0.00 62.75 61.67 1qwv n ILE 4 Cb 0.00 -0.55 0.20 0.00 -0.84 0.00 0.00 39.64 38.45 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 2.80 0.00 0.00 176.55 179.32 1qwv h MET 5 N 0.00 0.01 -5.45 9.51 4.05 -1.64 -3.38 114.93 118.02 1qwv h MET 5 Ca 0.00 -0.01 -0.64 0.00 -0.28 0.00 0.00 59.70 58.78 1qwv h MET 5 Cb 0.45 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.10 1qwv h MET 5 CO 0.00 0.58 0.40 0.21 0.23 0.00 0.00 176.91 178.33 1qwv s LYS 6 N -3.72 3.20 -0.10 0.39 2.47 -0.77 -5.03 119.74 116.20 1qwv s LYS 6 Ca -0.02 -0.63 -0.25 0.00 -1.56 0.00 0.00 55.97 53.51 1qwv s LYS 6 Cb 0.13 -4.12 -0.03 0.00 -1.46 0.00 0.00 37.83 32.35 1qwv s LYS 6 CO 0.76 -1.51 0.79 -0.80 0.16 0.00 0.00 175.35 174.75 1qwv s ASN 7 N 3.07 7.03 0.08 1.43 -0.87 -1.26 -4.90 114.94 119.52 1qwv s ASN 7 Ca 0.23 1.25 -0.27 0.00 -1.57 0.00 0.00 52.86 52.49 1qwv s ASN 7 Cb -0.16 -2.45 -0.17 0.00 -0.02 0.00 0.00 41.25 38.45 1qwv s ASN 7 CO 0.14 -0.24 1.68 -0.07 -2.57 0.00 0.00 177.10 176.04 1qwv h LEU 8 N 7.36 -0.34 -1.79 0.60 4.07 -1.94 0.57 115.31 123.83 1qwv h LEU 8 Ca -0.37 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1qwv h LEU 8 Cb 1.18 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.00 1qwv h LEU 8 CO 0.78 -0.24 -0.16 0.28 -1.08 0.00 0.00 178.44 178.03 1qwv h SER 9 N -0.41 0.00 0.44 -0.43 0.02 -1.94 0.21 113.55 111.44 1qwv h SER 9 Ca -0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 1qwv h SER 9 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1qwv h SER 9 CO 0.07 0.16 -0.88 -1.13 -1.14 0.00 0.00 176.83 173.90 1qwv h ASN 10 N 0.00 0.40 0.15 3.07 -0.73 -1.66 -1.67 115.58 115.14 1qwv h ASN 10 Ca -0.00 -0.31 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 1qwv h ASN 10 Cb 0.35 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1qwv h ASN 10 CO 0.02 1.10 -0.07 -1.13 -0.37 0.00 0.00 177.43 176.98 1qwv h ASN 11 N 0.18 -0.17 0.00 1.15 -1.24 0.09 -3.38 115.58 112.21 1qwv h ASN 11 Ca -0.06 -0.33 0.00 0.00 0.71 0.00 0.00 56.30 56.63 1qwv h ASN 11 Cb 1.51 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.60 1qwv h ASN 11 CO 0.14 0.41 0.00 0.49 -1.29 0.00 0.00 177.43 177.18 1qwv n PHE 12 N -4.90 0.00 -3.74 0.67 3.72 0.66 -4.91 117.46 108.96 1qwv n PHE 12 Ca -0.07 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.09 1qwv n PHE 12 Cb 0.24 -0.30 0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.90 -0.40 0.51 1.37 0.00 -0.63 -4.92 105.19 100.22 1qwv n GLY 13 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.05 -1.13 -1.79 1.61 1.57 -1.91 -3.42 116.57 109.46 1qwv h LYS 14 Ca -0.59 0.08 -0.28 0.00 -1.87 0.00 0.00 60.65 57.98 1qwv h LYS 14 Cb 1.36 0.26 -0.29 0.00 0.08 0.00 0.00 32.23 33.64 1qwv h LYS 14 CO 0.60 -0.75 -0.61 0.00 -0.57 0.00 0.00 179.45 178.11 1qwv s ALA 15 N -5.86 -0.87 0.22 3.86 0.00 -1.26 -4.98 121.76 112.87 1qwv s ALA 15 Ca -0.19 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1qwv s ALA 15 Cb 0.03 -2.12 0.19 0.00 0.00 0.00 0.00 23.12 21.22 1qwv s ALA 15 CO 0.59 -2.01 1.51 1.98 0.00 0.00 0.00 175.76 177.83 1qwv h MET 16 N 7.46 0.08 -0.36 0.00 4.05 -1.99 -3.22 114.93 120.94 1qwv h MET 16 Ca -0.00 -0.07 0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1qwv h MET 16 Cb 1.09 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1qwv h MET 16 CO 0.22 0.76 0.26 -0.44 0.23 0.00 0.00 176.91 177.94 1qwv h ASP 17 N 0.05 0.04 0.82 1.39 5.19 -1.98 0.23 116.42 122.17 1qwv h ASP 17 Ca -0.01 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1qwv h ASP 17 Cb 1.27 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1qwv h ASP 17 CO 0.10 0.03 -1.27 1.56 -3.12 0.00 0.00 179.24 176.53 1qwv h GLN 18 N 0.05 0.00 -0.00 3.56 1.08 -1.99 -2.51 115.11 115.30 1qwv h GLN 18 Ca 0.17 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.19 1qwv h GLN 18 Cb 0.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1qwv h GLN 18 CO -0.01 0.37 -0.81 0.00 -0.95 0.00 0.00 178.83 177.43 1qwv h LYS 20 N 0.04 -0.01 -0.30 0.00 1.63 -0.51 -1.39 116.57 116.04 1qwv h LYS 20 Ca -0.02 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.60 1qwv h LYS 20 Cb 1.42 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1qwv h LYS 20 CO 0.11 -0.01 -0.52 0.22 -3.45 0.00 0.00 179.45 175.81 1qwv h ASP 21 N -0.01 0.94 -0.15 4.20 3.58 -1.46 -1.07 116.42 122.45 1qwv h ASP 21 Ca 0.09 -0.49 -0.14 0.00 0.42 0.00 0.00 57.03 56.90 1qwv h ASP 21 Cb 0.15 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1qwv h ASP 21 CO -0.19 1.28 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.96 1qwv h GLU 22 N 0.66 0.69 -0.00 0.28 4.81 -1.19 -2.31 114.58 117.52 1qwv h GLU 22 Ca 0.02 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1qwv h GLU 22 Cb 1.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1qwv h GLU 22 CO 0.12 0.98 -0.20 1.28 -0.73 0.00 0.00 179.01 180.46 1qwv n LEU 23 N -4.03 0.54 -3.56 1.64 4.77 -0.54 -4.92 117.00 110.91 1qwv n LEU 23 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1qwv n LEU 23 Cb 0.53 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1qwv n LEU 23 CO 0.46 0.11 0.19 -0.24 -1.33 0.00 0.00 177.39 176.58 1qwv n SER 24 N -1.04 -4.65 -4.66 -1.43 2.88 -0.87 -4.88 113.62 98.97 1qwv n SER 24 Ca 0.12 -0.59 -0.53 0.00 -1.33 0.00 0.00 58.87 56.54 1qwv n SER 24 Cb 0.31 -4.99 -0.06 0.00 -0.75 0.00 0.00 64.21 58.72 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qwv n LEU 25 N -4.67 2.39 -4.78 2.46 4.32 -0.43 -4.96 117.00 111.32 1qwv n LEU 25 Ca -0.10 1.08 -0.34 0.00 -0.02 0.00 0.00 56.01 56.62 1qwv n LEU 25 Cb 0.60 -1.23 -0.00 0.00 -1.62 0.00 0.00 43.42 41.17 1qwv n LEU 25 CO 0.64 -0.57 0.75 -2.84 -1.22 0.00 0.00 177.39 174.15 1qwv s PRO 26 N 2.22 3.41 0.48 3.23 0.02 -1.26 -4.92 135.00 138.17 1qwv s PRO 26 Ca 0.90 1.46 0.23 0.00 0.02 0.00 0.00 61.00 63.61 1qwv s PRO 26 Cb -0.92 -2.03 1.20 0.00 0.02 0.00 0.00 34.50 32.77 1qwv s PRO 26 CO 0.53 -0.77 1.98 0.38 -0.33 0.00 0.00 177.00 178.79 1qwv h ASP 27 N 1.06 0.00 0.02 2.53 3.04 -2.00 -1.22 116.42 119.84 1qwv h ASP 27 Ca -0.49 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.23 1qwv h ASP 27 Cb 1.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 1qwv h ASP 27 CO 0.57 0.19 -0.19 0.77 -2.04 0.00 0.00 179.24 178.54 1qwv h SER 28 N 0.00 0.31 0.14 4.15 4.64 -2.00 -2.24 113.55 118.55 1qwv h SER 28 Ca -0.00 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.00 1qwv h SER 28 Cb 0.46 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1qwv h SER 28 CO 0.02 0.52 -0.99 0.58 -0.87 0.00 0.00 176.83 176.10 1qwv h VAL 29 N 0.30 1.42 -0.04 0.95 2.07 -1.62 -2.44 116.25 116.90 1qwv h VAL 29 Ca 0.05 -2.49 0.01 0.00 0.82 0.00 0.00 66.70 65.09 1qwv h VAL 29 Cb 0.51 3.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1qwv h VAL 29 CO 0.03 0.72 0.03 -0.37 0.02 0.00 0.00 177.57 178.01 1qwv h VAL 30 N -0.13 0.90 0.18 2.57 -1.51 -1.41 0.34 116.25 117.21 1qwv h VAL 30 Ca -0.16 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1qwv h VAL 30 Cb 1.75 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1qwv h VAL 30 CO 0.19 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.44 1qwv h ALA 31 N 1.98 -0.25 -0.36 5.19 0.00 -1.32 -2.44 119.26 122.06 1qwv h ALA 31 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1qwv h ALA 31 Cb 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1qwv h ALA 31 CO -0.00 -0.47 -0.18 0.22 0.00 0.00 0.00 179.25 178.82 1qwv h ASP 32 N -0.58 0.67 -0.44 0.00 3.58 -0.91 -2.75 116.42 115.98 1qwv h ASP 32 Ca -0.03 -0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.29 1qwv h ASP 32 Cb 0.43 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 41.21 1qwv h ASP 32 CO 0.04 0.85 -0.38 0.25 -2.88 0.00 0.00 179.24 177.12 1qwv h LEU 33 N 0.60 -1.29 -0.01 2.28 5.85 -0.34 -1.37 115.31 121.03 1qwv h LEU 33 Ca 0.09 0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1qwv h LEU 33 Cb 0.64 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1qwv h LEU 33 CO 0.05 -0.34 0.00 -1.22 -0.34 0.00 0.00 178.44 176.58 1qwv n TYR 34 N -5.42 0.00 -1.93 1.25 4.01 -0.92 -4.80 117.16 109.35 1qwv n TYR 34 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1qwv n TYR 34 Cb 0.35 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.66 6.30 0.19 7.72 2.47 -0.52 -4.85 114.94 124.59 1qwv s ASN 35 Ca 0.00 1.99 0.10 0.00 0.42 0.00 0.00 52.86 55.37 1qwv s ASN 35 Cb 0.00 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.26 1qwv s ASN 35 CO 0.00 -1.26 1.39 -0.26 -3.72 0.00 0.00 177.10 173.25 1qwv h PHE 36 N 11.15 0.00 -2.27 0.43 0.04 -1.90 -3.42 116.94 120.97 1qwv h PHE 36 Ca -0.39 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.80 1qwv h PHE 36 Cb 1.19 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.23 1qwv h PHE 36 CO 0.92 0.80 0.97 -1.58 -0.60 0.00 0.00 178.31 178.82 1qwv s TRP 37 N -2.96 2.46 -1.26 -0.55 0.23 -1.26 -4.91 118.94 110.70 1qwv s TRP 37 Ca 0.01 -0.37 -0.07 0.00 -2.03 0.00 0.00 56.10 53.64 1qwv s TRP 37 Cb 0.10 -4.53 0.18 0.00 0.03 0.00 0.00 33.47 29.25 1qwv s TRP 37 CO 0.79 -1.91 1.94 1.63 0.96 0.00 0.00 176.95 180.35 1qwv n LYS 38 N 8.72 4.02 0.00 4.98 5.02 -1.26 -4.79 118.16 134.84 1qwv n LYS 38 Ca 0.06 -3.68 0.00 0.00 -2.02 0.00 0.00 58.31 52.67 1qwv n LYS 38 Cb 0.48 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1qwv n LYS 38 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qwv n ASP 39 N 2.91 0.06 -3.12 4.39 5.68 -1.26 -4.79 116.55 120.42 1qwv n ASP 39 Ca 0.43 -0.35 -0.03 0.00 -0.50 0.00 0.00 54.79 54.35 1qwv n ASP 39 Cb 0.33 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1qwv n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qwv n ASP 40 N -0.18 -7.53 -4.96 -1.12 2.03 -1.26 -5.04 116.55 98.49 1qwv n ASP 40 Ca 0.00 -0.13 -0.19 0.00 0.52 0.00 0.00 54.79 54.99 1qwv n ASP 40 Cb 0.02 -4.96 -0.00 0.00 -0.72 0.00 0.00 41.12 35.45 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 -2.98 2.60 -0.38 -0.67 -0.85 -1.26 -5.07 117.35 108.75 1qwv s TYR 41 Ca 0.01 -0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 55.87 1qwv s TYR 41 Cb -0.00 -2.27 0.01 0.00 0.38 0.00 0.00 41.96 40.08 1qwv s TYR 41 CO 0.77 -0.37 0.65 0.08 -1.52 0.00 0.00 175.55 175.16 1qwv s VAL 42 N -2.44 4.85 -0.86 -3.49 1.01 -1.26 -4.99 120.40 113.22 1qwv s VAL 42 Ca 0.52 0.51 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1qwv s VAL 42 Cb -0.07 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1qwv s VAL 42 CO 0.31 -0.40 1.40 -0.32 0.00 0.00 0.00 175.10 176.09 1qwv s MET 43 N 2.79 3.31 0.10 2.72 1.75 -1.26 -4.82 119.30 123.89 1qwv s MET 43 Ca 0.25 -0.57 0.23 0.00 -1.25 0.00 0.00 55.69 54.34 1qwv s MET 43 Cb -0.14 -4.71 -0.03 0.00 2.84 0.00 0.00 34.83 32.79 1qwv s MET 43 CO 0.16 -2.24 0.94 0.25 -0.65 0.00 0.00 175.02 173.48 1qwv n THR 44 N 6.68 0.34 -2.98 10.11 -2.24 -1.26 -4.85 114.28 120.07 1qwv n THR 44 Ca 0.17 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1qwv n THR 44 Cb 0.50 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -4.67 7.18 0.31 3.42 -1.08 -1.26 -4.94 116.67 115.63 1qwv s ASP 45 Ca -0.00 1.42 0.09 0.00 -0.52 0.00 0.00 52.55 53.53 1qwv s ASP 45 Cb 0.12 -2.46 0.51 0.00 -1.46 0.00 0.00 42.92 39.63 1qwv s ASP 45 CO 0.81 -0.01 1.72 0.03 0.52 0.00 0.00 175.17 178.25 1qwv h ARG 46 N 5.85 0.15 0.00 4.34 -0.00 -1.94 -2.32 114.38 120.45 1qwv h ARG 46 Ca -0.43 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 1qwv h ARG 46 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.17 1qwv h ARG 46 CO 0.72 0.55 0.00 1.28 0.00 0.00 0.00 179.97 182.52 1qwv n LEU 47 N -4.02 0.77 -0.06 3.04 7.99 -1.26 -2.20 117.00 121.25 1qwv n LEU 47 Ca -0.02 0.62 -0.05 0.00 -0.01 0.00 0.00 56.01 56.56 1qwv n LEU 47 Cb 0.48 -0.44 -0.03 0.00 -0.11 0.00 0.00 43.42 43.32 1qwv n LEU 47 CO 0.41 -0.38 -0.16 0.00 -1.51 0.00 0.00 177.39 175.76 1qwv h ALA 48 N 2.39 0.02 -0.93 -1.18 0.00 -1.77 -2.08 119.26 115.71 1qwv h ALA 48 Ca 0.00 -0.36 0.29 0.00 0.00 0.00 0.00 54.91 54.84 1qwv h ALA 48 Cb 0.56 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.45 1qwv h ALA 48 CO 0.00 0.27 0.13 0.41 0.00 0.00 0.00 179.25 180.06 1qwv n GLY 49 N 1.67 -1.13 0.13 0.00 0.00 -1.16 -1.07 105.19 103.62 1qwv n GLY 49 Ca -0.07 0.88 -0.17 0.00 0.00 0.00 0.00 46.02 46.66 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 0.29 1.09 0.00 0.00 0.00 -0.73 -2.55 119.26 117.35 1qwv h ALA 51 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qwv h ALA 51 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qwv h ALA 51 CO 0.11 0.23 0.00 0.97 0.00 0.00 0.00 179.25 180.56 1qwv h ILE 52 N 0.00 0.00 -2.17 0.00 2.10 -1.21 -3.36 117.51 112.86 1qwv h ILE 52 Ca -0.00 -0.58 -0.49 0.00 1.08 0.00 0.00 64.86 64.87 1qwv h ILE 52 Cb 0.61 1.57 -0.34 0.00 -1.09 0.00 0.00 36.82 37.57 1qwv h ILE 52 CO 0.02 0.00 -0.82 0.21 -1.08 0.00 0.00 178.15 176.48 1qwv s ASN 53 N -5.73 1.46 0.00 2.19 2.47 -0.96 -4.45 114.94 109.91 1qwv s ASN 53 Ca 0.02 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 50.98 1qwv s ASN 53 Cb 0.08 0.07 0.00 0.00 -1.45 0.00 0.00 41.25 39.95 1qwv s ASN 53 CO 0.56 -0.22 0.00 0.00 -3.72 0.00 0.00 177.10 173.72 1qwv h LEU 55 N 0.00 0.03 0.00 0.00 -0.00 -1.90 0.15 115.31 113.58 1qwv h LEU 55 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1qwv h LEU 55 Cb 0.91 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1qwv h LEU 55 CO 0.00 0.04 -0.20 0.00 -0.00 0.00 0.00 178.44 178.28 1qwv h ALA 56 N 1.12 0.87 0.10 1.53 0.00 -1.94 -1.78 119.26 119.16 1qwv h ALA 56 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 56 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qwv h ALA 56 CO -0.09 0.00 -1.45 1.15 0.00 0.00 0.00 179.25 178.85 1qwv h THR 57 N 0.00 1.23 0.00 0.00 2.02 -1.66 -3.25 112.91 111.25 1qwv h THR 57 Ca 0.00 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.29 1qwv h THR 57 Cb 0.78 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1qwv h THR 57 CO 0.00 0.82 -0.19 0.29 0.37 0.00 0.00 175.52 176.81 1qwv n LYS 58 N -3.42 0.17 0.23 6.66 5.02 0.46 -3.98 118.16 123.29 1qwv n LYS 58 Ca -0.14 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 1qwv n LYS 58 Cb 1.03 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 1qwv n LYS 58 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1qwv h LEU 59 N 0.00 -0.50 -6.04 -0.35 5.85 -1.35 -3.48 115.31 109.43 1qwv h LEU 59 Ca 0.00 0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.99 1qwv h LEU 59 Cb 0.65 0.13 -0.22 0.00 0.37 0.00 0.00 40.66 41.59 1qwv h LEU 59 CO 0.00 -0.28 0.22 -0.62 -0.34 0.00 0.00 178.44 177.42 1qwv s ASP 60 N -3.53 -0.33 -0.02 1.25 2.15 -1.23 -5.06 116.67 109.90 1qwv s ASP 60 Ca -0.09 0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.15 1qwv s ASP 60 Cb 0.01 1.30 0.02 0.00 -0.30 0.00 0.00 42.92 43.95 1qwv s ASP 60 CO 0.26 -0.06 0.34 0.55 -0.17 0.00 0.00 175.17 176.09 1qwv n VAL 61 N 5.36 0.00 -3.82 1.11 3.14 -1.26 -4.90 118.33 117.95 1qwv n VAL 61 Ca -0.08 -0.06 -0.36 0.00 -2.96 0.00 0.00 64.34 60.89 1qwv n VAL 61 Cb 0.54 0.24 -0.13 0.00 -1.06 0.00 0.00 33.84 33.43 1qwv n VAL 61 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1qwv s VAL 62 N 0.01 3.75 0.01 1.55 -7.23 -1.26 -4.22 120.40 113.00 1qwv s VAL 62 Ca 0.01 -0.55 -0.27 0.00 -1.81 0.00 0.00 61.98 59.35 1qwv s VAL 62 Cb 0.03 -2.82 -0.15 0.00 0.56 0.00 0.00 36.38 33.99 1qwv s VAL 62 CO -0.01 0.25 1.13 0.44 -0.31 0.00 0.00 175.10 176.61 1qwv h ASP 63 N 8.18 -0.80 0.00 4.85 5.19 -1.85 -3.48 116.42 128.50 1qwv h ASP 63 Ca -0.36 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1qwv h ASP 63 Cb 1.15 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1qwv h ASP 63 CO 0.59 -0.43 0.00 -0.81 -3.12 0.00 0.00 179.24 175.48 1qwv n PRO 64 N -5.41 2.94 0.00 3.56 -0.05 -1.26 -4.93 135.00 129.85 1qwv n PRO 64 Ca -0.12 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.43 1qwv n PRO 64 Cb 0.38 0.00 0.57 0.00 -0.05 0.00 0.00 33.50 34.40 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 0.00 0.00 3.54 9.92 -1.26 -4.84 116.55 123.91 1qwv n ASP 65 Ca 0.00 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 53.69 1qwv n ASP 65 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 0.22 0.63 3.77 0.44 0.00 -1.26 -5.13 105.19 103.86 1qwv n GLY 66 Ca 0.14 -0.06 -0.34 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 -2.28 5.44 -0.86 1.61 4.22 -1.26 -3.84 114.94 117.97 1qwv s ASN 67 Ca 0.00 2.07 0.00 0.00 -2.14 0.00 0.00 52.86 52.79 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 -1.41 0.00 0.18 -2.04 0.00 0.00 177.10 173.83 1qwv n LEU 68 N -1.87 -1.26 -3.59 3.54 7.99 -1.26 -4.56 117.00 115.99 1qwv n LEU 68 Ca 0.11 0.05 -0.40 0.00 -0.01 0.00 0.00 56.01 55.75 1qwv n LEU 68 Cb 0.52 -1.60 -0.03 0.00 -0.11 0.00 0.00 43.42 42.19 1qwv n LEU 68 CO 0.45 -0.19 2.44 0.00 -1.51 0.00 0.00 177.39 178.58 1qwv n HIS 69 N -3.71 2.44 0.01 -1.77 1.44 -1.25 -4.54 115.22 107.83 1qwv n HIS 69 Ca -0.11 -2.33 -0.10 0.00 -2.01 0.00 0.00 57.72 53.16 1qwv n HIS 69 Cb 0.52 -2.06 -0.14 0.00 0.12 0.00 0.00 29.99 28.44 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 6.83 0.10 0.42 -1.40 2.07 -1.91 -3.31 115.15 117.96 1qwv h HIS 70 Ca 0.52 -0.08 -0.02 0.00 -2.85 0.00 0.00 60.37 57.94 1qwv h HIS 70 Cb 0.57 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1qwv h HIS 70 CO 1.45 1.12 -0.20 0.78 -3.07 0.00 0.00 177.93 178.01 1qwv h GLY 71 N 2.96 -0.59 1.27 6.13 0.00 -1.93 -2.50 103.07 108.40 1qwv h GLY 71 Ca -0.24 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1qwv h GLY 71 CO 0.10 -0.21 0.29 3.43 0.00 0.00 0.00 176.54 180.15 1qwv h ASN 72 N -0.82 0.00 -0.19 0.19 2.35 -1.83 0.38 115.58 115.66 1qwv h ASN 72 Ca -0.06 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 1qwv h ASN 72 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1qwv h ASN 72 CO 0.10 0.00 -0.45 0.00 -1.65 0.00 0.00 177.43 175.42 1qwv h ALA 73 N 1.65 0.65 0.15 -0.83 0.00 -1.61 0.57 119.26 119.86 1qwv h ALA 73 Ca 0.12 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 1qwv h ALA 73 Cb 0.71 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qwv h ALA 73 CO -0.00 0.67 -1.40 0.87 0.00 0.00 0.00 179.25 179.39 1qwv h LYS 74 N 0.60 0.33 -0.91 0.00 1.79 -0.65 -2.67 116.57 115.06 1qwv h LYS 74 Ca 0.04 -0.56 -0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1qwv h LYS 74 Cb 1.02 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 1qwv h LYS 74 CO 0.10 1.24 0.57 0.22 -1.08 0.00 0.00 179.45 180.49 1qwv h ASP 75 N 0.09 1.07 -0.73 0.86 3.58 -0.26 -0.12 116.42 120.92 1qwv h ASP 75 Ca -0.20 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 1qwv h ASP 75 Cb 2.03 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 42.78 1qwv h ASP 75 CO 0.21 0.81 0.44 0.15 -2.88 0.00 0.00 179.24 177.97 1qwv h PHE 76 N 1.24 0.95 -0.01 0.28 3.57 0.14 -2.15 116.94 120.97 1qwv h PHE 76 Ca 0.33 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1qwv h PHE 76 Cb -0.08 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.33 1qwv h PHE 76 CO -0.00 0.64 -0.47 0.00 -2.23 0.00 0.00 178.31 176.25 1qwv h ALA 77 N 1.23 1.21 -0.10 2.41 0.00 -1.00 0.63 119.26 123.64 1qwv h ALA 77 Ca 0.26 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 1qwv h ALA 77 Cb -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1qwv h ALA 77 CO -0.05 0.59 -0.79 0.52 0.00 0.00 0.00 179.25 179.52 1qwv h MET 78 N 0.02 0.71 -0.00 0.00 2.86 -0.64 0.97 114.93 118.84 1qwv h MET 78 Ca -0.00 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1qwv h MET 78 Cb 0.83 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1qwv h MET 78 CO 0.06 1.24 -0.56 0.36 1.06 0.00 0.00 176.91 179.06 1qwv n LYS 79 N -3.98 0.41 -3.47 1.72 2.85 -0.85 -4.49 118.16 110.36 1qwv n LYS 79 Ca -0.09 -0.29 -0.29 0.00 -1.05 0.00 0.00 58.31 56.59 1qwv n LYS 79 Cb 0.75 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.52 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 -2.79 0.68 0.00 5.58 3.76 0.21 -4.99 115.29 117.74 1qwv s HIS 80 Ca 0.15 -1.56 0.00 0.00 -0.15 0.00 0.00 55.06 53.50 1qwv s HIS 80 Cb 0.18 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.96 1qwv s HIS 80 CO 0.68 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1qwv n GLY 81 N 4.14 2.05 3.90 -2.22 0.00 -1.22 -4.27 105.19 107.58 1qwv n GLY 81 Ca 0.10 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.88 3.86 0.71 4.61 0.00 0.33 -3.93 121.76 126.47 1qwv s ALA 82 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 1qwv s ALA 82 Cb 0.00 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 21.14 1qwv s ALA 82 CO 0.00 0.72 1.04 0.16 0.00 0.00 0.00 175.76 177.68 1qwv s ASP 83 N -2.43 4.84 0.21 0.00 -4.77 -1.26 -4.11 116.67 109.15 1qwv s ASP 83 Ca 0.39 0.55 -0.06 0.00 -3.30 0.00 0.00 52.55 50.14 1qwv s ASP 83 Cb -0.12 -1.21 0.17 0.00 -1.09 0.00 0.00 42.92 40.66 1qwv s ASP 83 CO 0.25 -1.60 1.65 1.05 0.70 0.00 0.00 175.17 177.22 1qwv h GLU 84 N -0.65 0.87 -0.30 2.11 -0.00 -1.95 0.24 114.58 114.90 1qwv h GLU 84 Ca -0.45 -0.32 -0.03 0.00 -0.00 0.00 0.00 59.36 58.57 1qwv h GLU 84 Cb 1.31 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.99 1qwv h GLU 84 CO 0.61 0.95 0.08 0.00 -0.00 0.00 0.00 179.01 180.66 1qwv h THR 85 N 0.77 1.14 0.20 -1.06 1.03 -1.97 0.56 112.91 113.59 1qwv h THR 85 Ca 0.12 -0.50 -0.35 0.00 -0.01 0.00 0.00 66.41 65.67 1qwv h THR 85 Cb 0.66 0.83 0.01 0.00 -1.07 0.00 0.00 68.15 68.58 1qwv h THR 85 CO 0.05 0.18 -1.71 -0.03 -0.01 0.00 0.00 175.52 173.99 1qwv h MET 86 N 0.43 0.42 -0.93 0.00 1.85 -1.64 -2.20 114.93 112.87 1qwv h MET 86 Ca 0.10 -0.72 0.05 0.00 -0.61 0.00 0.00 59.70 58.52 1qwv h MET 86 Cb 0.16 0.27 -0.06 0.00 0.43 0.00 0.00 31.60 32.40 1qwv h MET 86 CO -0.00 1.35 0.60 0.00 -0.40 0.00 0.00 176.91 178.46 1qwv h ALA 87 N 0.12 1.45 0.00 0.39 0.00 -0.27 -1.20 119.26 119.75 1qwv h ALA 87 Ca -0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1qwv h ALA 87 Cb 2.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1qwv h ALA 87 CO 0.20 0.43 -0.22 1.96 0.00 0.00 0.00 179.25 181.61 1qwv h GLN 88 N 1.10 0.00 0.00 0.00 7.50 0.19 0.32 115.11 124.23 1qwv h GLN 88 Ca 0.39 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.43 1qwv h GLN 88 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1qwv h GLN 88 CO -0.13 0.22 -0.49 1.96 -1.50 0.00 0.00 178.83 178.88 1qwv h GLN 89 N 0.00 0.00 0.09 1.46 1.08 -0.61 -3.33 115.11 113.80 1qwv h GLN 89 Ca -0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1qwv h GLN 89 Cb 0.76 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1qwv h GLN 89 CO 0.03 0.49 -1.37 1.25 -0.95 0.00 0.00 178.83 178.28 1qwv h LEU 90 N 0.00 0.29 -1.56 1.46 5.85 -0.16 -3.36 115.31 117.83 1qwv h LEU 90 Ca -0.00 -0.80 0.07 0.00 0.84 0.00 0.00 57.88 57.98 1qwv h LEU 90 Cb 1.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1qwv h LEU 90 CO 0.06 1.59 0.40 -0.37 -0.34 0.00 0.00 178.44 179.78 1qwv h VAL 91 N -0.44 0.97 -0.31 1.05 -1.51 -0.56 -0.08 116.25 115.36 1qwv h VAL 91 Ca -0.31 -0.18 -0.07 0.00 -1.23 0.00 0.00 66.70 64.90 1qwv h VAL 91 Cb 1.66 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1qwv h VAL 91 CO 0.00 0.10 -0.10 -0.78 -1.23 0.00 0.00 177.57 175.57 1qwv h ASP 92 N 0.53 0.62 -0.59 4.19 3.58 -1.73 -1.64 116.42 121.38 1qwv h ASP 92 Ca 0.26 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 1qwv h ASP 92 Cb 0.35 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1qwv h ASP 92 CO -0.08 0.86 0.07 0.40 -2.88 0.00 0.00 179.24 177.61 1qwv h ILE 93 N 0.38 1.26 -0.36 2.25 5.03 -1.52 -1.98 117.51 122.56 1qwv h ILE 93 Ca 0.08 -1.03 0.06 0.00 -0.12 0.00 0.00 64.86 63.84 1qwv h ILE 93 Cb 0.59 0.77 -0.05 0.00 -3.03 0.00 0.00 36.82 35.10 1qwv h ILE 93 CO 0.03 0.38 0.07 0.40 -0.68 0.00 0.00 178.15 178.35 1qwv h ILE 94 N 0.90 0.81 -0.12 -0.67 2.04 -0.68 0.51 117.51 120.30 1qwv h ILE 94 Ca 0.18 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.80 1qwv h ILE 94 Cb 0.46 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1qwv h ILE 94 CO 0.02 0.03 -0.64 0.45 0.00 0.00 0.00 178.15 178.01 1qwv h HIS 95 N 0.19 0.58 0.14 1.37 3.86 -1.26 -1.93 115.15 118.09 1qwv h HIS 95 Ca 0.17 -0.23 -0.24 0.00 -1.16 0.00 0.00 60.37 58.91 1qwv h HIS 95 Cb 0.21 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.59 1qwv h HIS 95 CO -0.20 0.96 -1.17 0.78 0.86 0.00 0.00 177.93 179.17 1qwv h GLY 96 N 1.20 0.34 1.62 2.45 0.00 -0.70 -2.53 103.07 105.45 1qwv h GLY 96 Ca -0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 47.33 46.28 1qwv h GLY 96 CO 0.11 0.76 -0.67 0.00 0.00 0.00 0.00 176.54 176.74 1qwv h GLU 98 N 0.27 0.97 -0.48 0.00 4.81 -1.43 0.20 114.58 118.92 1qwv h GLU 98 Ca -0.02 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1qwv h GLU 98 Cb 1.23 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1qwv h GLU 98 CO 0.11 0.64 0.11 -0.22 -0.73 0.00 0.00 179.01 178.92 1qwv h LYS 99 N 1.00 0.77 -0.81 1.92 3.64 -0.97 -3.08 116.57 119.05 1qwv h LYS 99 Ca 0.38 -0.19 -0.26 0.00 -1.27 0.00 0.00 60.65 59.31 1qwv h LYS 99 Cb 0.21 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 31.78 1qwv h LYS 99 CO -0.14 0.76 0.32 0.43 -2.27 0.00 0.00 179.45 178.56 1qwv n SER 100 N -4.47 4.60 -4.79 4.20 7.64 -0.56 -4.96 113.62 115.27 1qwv n SER 100 Ca 0.01 -3.22 -0.35 0.00 1.01 0.00 0.00 58.87 56.32 1qwv n SER 100 Cb 0.23 -0.75 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.92 2.99 0.64 -0.43 0.00 0.65 -4.98 121.76 117.71 1qwv s ALA 101 Ca 0.53 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1qwv s ALA 101 Cb 0.43 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 1qwv s ALA 101 CO 0.13 -0.18 1.21 -2.14 0.00 0.00 0.00 175.76 174.77 1qwv s PRO 102 N -2.89 2.72 -0.80 0.00 0.02 -1.26 -4.86 135.00 127.93 1qwv s PRO 102 Ca 0.62 1.80 -0.05 0.00 0.02 0.00 0.00 61.00 63.39 1qwv s PRO 102 Cb -0.17 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1qwv s PRO 102 CO 0.22 -1.40 2.05 -2.30 -0.33 0.00 0.00 177.00 175.24 1qwv n PRO 103 N -1.95 1.89 -4.07 5.54 -0.02 -1.26 -4.77 135.00 130.36 1qwv n PRO 103 Ca 0.14 -1.34 -0.32 0.00 -2.02 0.00 0.00 63.50 59.96 1qwv n PRO 103 Cb 0.50 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.43 3.40 -0.92 2.55 0.01 -1.26 -5.07 114.94 117.08 1qwv s ASN 104 Ca 0.37 -0.84 -0.24 0.00 -0.71 0.00 0.00 52.86 51.45 1qwv s ASN 104 Cb 0.10 -1.40 0.05 0.00 0.41 0.00 0.00 41.25 40.42 1qwv s ASN 104 CO -0.03 -0.08 1.36 -0.62 -1.51 0.00 0.00 177.10 176.22 1qwv s ASP 105 N 1.30 6.40 -0.34 -1.22 2.15 -1.26 -4.90 116.67 118.81 1qwv s ASP 105 Ca 0.01 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.79 1qwv s ASP 105 Cb -0.15 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.03 1qwv s ASP 105 CO -0.10 -1.56 0.12 -1.81 -0.17 0.00 0.00 175.17 171.65 1qwv s ASP 106 N 4.48 4.03 0.26 -0.34 1.01 -1.26 -5.02 116.67 119.83 1qwv s ASP 106 Ca 0.41 -1.93 -0.07 0.00 0.71 0.00 0.00 52.55 51.67 1qwv s ASP 106 Cb -0.03 -0.99 0.46 0.00 1.01 0.00 0.00 42.92 43.36 1qwv s ASP 106 CO -0.02 -0.38 1.59 0.07 0.21 0.00 0.00 175.17 176.64 1qwv h LYS 107 N 7.72 0.02 0.00 8.23 -0.00 -2.02 -1.33 116.57 129.18 1qwv h LYS 107 Ca -0.09 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.45 1qwv h LYS 107 Cb 1.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.20 1qwv h LYS 107 CO 0.48 0.01 -0.86 0.00 -0.00 0.00 0.00 179.45 179.08 1qwv h MET 109 N 0.00 0.00 -0.50 0.00 2.86 -1.58 -3.38 114.93 112.33 1qwv h MET 109 Ca -0.06 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1qwv h MET 109 Cb 1.37 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.98 1qwv h MET 109 CO 0.04 0.49 0.24 1.57 1.06 0.00 0.00 176.91 180.31 1qwv h LYS 110 N 0.00 0.45 0.00 1.72 -0.00 -1.53 0.35 116.57 117.56 1qwv h LYS 110 Ca -0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 1qwv h LYS 110 Cb 1.61 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.74 1qwv h LYS 110 CO 0.07 0.30 0.07 -2.37 -0.00 0.00 0.00 179.45 177.52 1qwv n THR 111 N -4.91 1.06 -0.00 0.07 5.66 -1.26 -1.17 114.28 113.74 1qwv n THR 111 Ca 0.05 0.70 -0.18 0.00 -3.05 0.00 0.00 64.05 61.57 1qwv n THR 111 Cb 0.15 -1.70 -0.14 0.00 -1.55 0.00 0.00 70.33 67.09 1qwv n THR 111 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1qwv n ILE 112 N -2.09 1.74 -0.08 1.09 -0.00 0.12 -1.96 119.36 118.18 1qwv n ILE 112 Ca -0.01 -0.70 0.03 0.00 -0.00 0.00 0.00 62.75 62.07 1qwv n ILE 112 Cb 0.10 -1.54 0.36 0.00 -0.00 0.00 0.00 39.64 38.55 1qwv n ILE 112 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1qwv h ASP 113 N 0.05 0.62 0.59 4.38 3.32 -0.81 0.35 116.42 124.92 1qwv h ASP 113 Ca -0.38 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.37 1qwv h ASP 113 Cb 2.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1qwv h ASP 113 CO 0.09 0.45 -1.32 -0.37 -1.72 0.00 0.00 179.24 176.37 1qwv h VAL 114 N 0.72 1.41 -0.22 -1.35 -1.51 -1.39 -2.56 116.25 111.35 1qwv h VAL 114 Ca 0.19 -3.00 0.00 0.00 -1.23 0.00 0.00 66.70 62.67 1qwv h VAL 114 Cb -0.08 2.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 1qwv h VAL 114 CO -0.04 0.87 0.14 0.00 -1.23 0.00 0.00 177.57 177.31 1qwv h ALA 115 N 0.57 0.28 0.00 5.19 0.00 -0.72 -1.02 119.26 123.56 1qwv h ALA 115 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qwv h ALA 115 Cb 1.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1qwv h ALA 115 CO 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 1qwv h MET 116 N 0.29 0.00 0.00 0.00 -0.00 -0.40 0.71 114.93 115.53 1qwv h MET 116 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.74 1qwv h MET 116 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.57 1qwv h MET 116 CO -0.02 0.01 -0.20 0.00 -0.00 0.00 0.00 176.91 176.70 1qwv h PHE 118 N 0.00 0.35 0.00 0.00 3.57 0.38 -2.50 116.94 118.74 1qwv h PHE 118 Ca -0.00 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 1qwv h PHE 118 Cb 0.81 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1qwv h PHE 118 CO 0.00 1.19 -0.24 1.57 -2.23 0.00 0.00 178.31 178.60 1qwv h LYS 119 N -0.59 0.00 0.11 1.11 -0.00 -1.52 0.17 116.57 115.85 1qwv h LYS 119 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.58 1qwv h LYS 119 Cb 1.39 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.58 1qwv h LYS 119 CO 0.09 0.24 -0.33 -0.22 -0.00 0.00 0.00 179.45 179.24 1qwv h LYS 120 N 0.00 -0.53 -0.96 0.07 3.64 -1.43 0.29 116.57 117.66 1qwv h LYS 120 Ca -0.00 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1qwv h LYS 120 Cb 0.64 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1qwv h LYS 120 CO 0.03 -0.35 0.63 0.93 -2.27 0.00 0.00 179.45 178.42 1qwv h GLU 121 N -0.55 1.20 -0.66 1.90 4.39 -0.89 -1.58 114.58 118.40 1qwv h GLU 121 Ca 0.03 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1qwv h GLU 121 Cb 0.58 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1qwv h GLU 121 CO -0.20 0.80 0.44 0.82 -1.16 0.00 0.00 179.01 179.70 1qwv h ILE 122 N 1.24 0.98 -0.04 3.13 1.08 -0.17 0.13 117.51 123.86 1qwv h ILE 122 Ca 0.37 -0.21 -0.14 0.00 -0.39 0.00 0.00 64.86 64.49 1qwv h ILE 122 Cb -0.05 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 1qwv h ILE 122 CO -0.11 0.11 -0.63 0.45 -0.69 0.00 0.00 178.15 177.28 1qwv h HIS 123 N 0.62 0.18 0.00 1.37 3.86 -0.38 -3.03 115.15 117.76 1qwv h HIS 123 Ca 0.29 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1qwv h HIS 123 Cb 0.34 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1qwv h HIS 123 CO -0.00 0.73 -0.13 -0.22 0.86 0.00 0.00 177.93 179.17 1qwv h LYS 124 N 0.10 0.00 0.00 2.45 3.64 0.09 -2.38 116.57 120.48 1qwv h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qwv h LYS 124 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1qwv h LYS 124 CO 0.09 0.13 0.00 1.28 -2.27 0.00 0.00 179.45 178.68 1qwv n LEU 125 N -3.28 0.00 0.00 5.20 4.77 0.20 -4.97 117.00 118.92 1qwv n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qwv n LEU 125 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1qwv n LEU 125 CO 0.31 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.91 1qwv n ASN 126 N -0.73 -1.05 0.08 -1.43 0.23 -0.90 -4.41 115.26 107.06 1qwv n ASN 126 Ca 0.06 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.06 1qwv n ASN 126 Cb 0.03 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.71 1qwv n ASN 126 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 1qwv h TRP 127 N 0.00 -0.28 -2.45 -2.53 4.06 -1.93 -3.47 115.95 109.35 1qwv h TRP 127 Ca 0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1qwv h TRP 127 Cb 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1qwv h TRP 127 CO 0.00 -0.17 -0.62 1.55 -3.56 0.00 0.00 178.44 175.64 1qwv n VAL 128 N -4.78 -2.79 -1.73 1.49 3.14 -1.26 -4.68 118.33 107.72 1qwv n VAL 128 Ca -0.04 1.25 -0.37 0.00 -2.96 0.00 0.00 64.34 62.22 1qwv n VAL 128 Cb 0.12 -1.87 -0.03 0.00 -1.06 0.00 0.00 33.84 31.00 1qwv n VAL 128 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1qwv s PRO 129 N -4.72 2.31 0.61 1.45 0.02 -1.26 -4.96 135.00 128.45 1qwv s PRO 129 Ca 0.00 1.14 -0.01 0.00 0.02 0.00 0.00 61.00 62.15 1qwv s PRO 129 Cb 0.00 -4.51 0.05 0.00 0.02 0.00 0.00 34.50 30.06 1qwv s PRO 129 CO 0.00 -3.05 0.86 0.54 -0.33 0.00 0.00 177.00 175.02 1qwv s ASN 130 N 10.63 5.08 0.19 2.53 2.20 -1.26 -5.09 114.94 129.22 1qwv s ASN 130 Ca 0.87 0.11 -0.07 0.00 -0.94 0.00 0.00 52.86 52.83 1qwv s ASN 130 Cb -0.16 -0.89 -0.06 0.00 -2.00 0.00 0.00 41.25 38.13 1qwv s ASN 130 CO 0.24 -1.32 0.46 0.00 -2.94 0.00 0.00 177.10 173.54 1qwv s MET 131 N -4.93 3.70 0.58 3.55 0.23 -1.26 -5.09 119.30 116.07 1qwv s MET 131 Ca 0.59 0.07 -0.08 0.00 -1.03 0.00 0.00 55.69 55.24 1qwv s MET 131 Cb -0.10 -2.75 -0.02 0.00 -1.53 0.00 0.00 34.83 30.43 1qwv s MET 131 CO 0.41 0.39 0.93 0.16 -2.03 0.00 0.00 175.02 174.88 1qwv s ASP 132 N -2.43 5.94 -0.34 -1.18 1.47 -1.26 -5.02 116.67 113.84 1qwv s ASP 132 Ca 0.44 1.03 0.12 0.00 1.18 0.00 0.00 52.55 55.32 1qwv s ASP 132 Cb -0.12 -2.11 0.45 0.00 -0.34 0.00 0.00 42.92 40.81 1qwv s ASP 132 CO 0.23 -0.91 1.08 -0.11 0.68 0.00 0.00 175.17 176.14 1qwv n LEU 133 N -2.60 3.28 -4.61 2.11 7.94 -1.26 -5.05 117.00 116.82 1qwv n LEU 133 Ca 0.04 -4.32 -0.43 0.00 -1.11 0.00 0.00 56.01 50.19 1qwv n LEU 133 Cb 0.56 -0.02 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 1qwv n LEU 133 CO 0.55 1.81 0.98 -0.69 -1.11 0.00 0.00 177.39 178.93 1qwv s VAL 134 N -4.36 4.33 0.07 1.96 1.01 -1.26 -5.01 120.40 117.14 1qwv s VAL 134 Ca 0.39 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 1qwv s VAL 134 Cb 0.41 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1qwv s VAL 134 CO -0.05 -0.81 0.96 -0.63 0.00 0.00 0.00 175.10 174.56 1qwv s ILE 135 N 4.12 4.63 -0.93 2.22 1.09 -1.26 -4.96 121.20 126.11 1qwv s ILE 135 Ca 0.46 2.05 -0.24 0.00 -1.10 0.00 0.00 60.65 61.82 1qwv s ILE 135 Cb -0.09 -4.31 -0.05 0.00 -1.06 0.00 0.00 42.46 36.95 1qwv s ILE 135 CO 0.26 0.27 1.94 -0.83 -0.10 0.00 0.00 174.94 176.48 1qwv s GLY 136 N 0.32 0.18 0.39 6.18 0.00 -1.26 -4.93 107.32 108.20 1qwv s GLY 136 Ca 0.48 -1.58 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 1qwv s GLY 136 CO 0.29 3.49 1.43 -2.21 0.00 0.00 0.00 173.10 176.11 1qwv n GLU 137 N 8.80 2.46 -1.68 2.90 2.13 -1.26 -4.90 120.64 129.09 1qwv n GLU 137 Ca 0.41 0.87 -0.43 0.00 0.66 0.00 0.00 57.16 58.66 1qwv n GLU 137 Cb 0.47 -2.60 -0.01 0.00 0.27 0.00 0.00 31.44 29.57 1qwv n GLU 137 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1qwv n VAL 138 N 0.23 1.94 -0.07 6.31 3.14 -1.26 -4.92 118.33 123.70 1qwv n VAL 138 Ca 0.03 -0.49 -0.03 0.00 -2.96 0.00 0.00 64.34 60.89 1qwv n VAL 138 Cb 0.39 -1.45 -0.15 0.00 -1.06 0.00 0.00 33.84 31.56 1qwv n VAL 138 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1qwv n LEU 139 N 0.93 0.00 -4.69 6.55 0.00 -1.26 -4.97 117.00 113.57 1qwv n LEU 139 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.65 1qwv n LEU 139 Cb 0.35 0.32 -0.03 0.00 0.00 0.00 0.00 43.42 44.06 1qwv n LEU 139 CO 0.62 0.32 1.38 0.00 0.00 0.00 0.00 177.39 179.71 1qwv s ALA 140 N -2.76 3.70 0.00 1.96 0.00 -1.26 -4.84 121.76 118.56 1qwv s ALA 140 Ca -0.09 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1qwv s ALA 140 Cb 0.08 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1qwv s ALA 140 CO 0.80 -1.16 0.00 0.39 0.00 0.00 0.00 175.76 175.79 1qwv n GLU 141 N 5.72 0.00 0.00 0.00 -0.58 -1.26 -5.27 120.64 119.24 1qwv n GLU 141 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1qwv n GLU 141 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1qwv n GLU 141 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20