#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 4.33 0.13 -2.00 -1.42 132.00 133.05 1qwv h PRO 2 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qwv h PRO 2 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qwv h PRO 2 CO 0.00 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 178.68 1qwv h GLU 3 N 0.00 -0.03 0.00 0.86 3.07 -1.94 -0.66 114.58 115.88 1qwv h GLU 3 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qwv h GLU 3 Cb 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1qwv h GLU 3 CO -0.00 -0.02 0.00 1.51 -1.40 0.00 0.00 179.01 179.10 1qwv n ILE 4 N -2.39 0.70 0.14 3.13 0.13 -1.11 -2.52 119.36 117.43 1qwv n ILE 4 Ca -0.00 0.06 -0.01 0.00 -1.10 0.00 0.00 62.75 61.70 1qwv n ILE 4 Cb 0.01 -0.90 0.17 0.00 -0.84 0.00 0.00 39.64 38.08 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 0.00 -6.11 9.51 4.05 -1.06 -3.39 114.93 117.93 1qwv h MET 5 Ca 0.00 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.85 1qwv h MET 5 Cb 0.47 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.17 1qwv h MET 5 CO 0.00 0.62 1.10 0.21 0.23 0.00 0.00 176.91 179.07 1qwv s LYS 6 N -3.61 3.31 0.11 0.39 2.20 -0.27 -4.99 119.74 116.88 1qwv s LYS 6 Ca -0.01 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.66 1qwv s LYS 6 Cb 0.13 -4.54 -0.09 0.00 -1.51 0.00 0.00 37.83 31.82 1qwv s LYS 6 CO 0.76 -2.10 1.51 1.21 -0.36 0.00 0.00 175.35 176.37 1qwv s ASN 7 N 4.06 6.69 0.20 1.43 3.84 -1.26 -4.90 114.94 124.99 1qwv s ASN 7 Ca 0.36 2.45 -0.10 0.00 0.21 0.00 0.00 52.86 55.77 1qwv s ASN 7 Cb -0.07 -2.58 0.24 0.00 -0.55 0.00 0.00 41.25 38.29 1qwv s ASN 7 CO 0.07 -0.77 1.76 -0.07 -2.79 0.00 0.00 177.10 175.29 1qwv h LEU 8 N 7.33 0.28 -0.97 3.21 3.38 -1.93 0.23 115.31 126.85 1qwv h LEU 8 Ca -0.42 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1qwv h LEU 8 Cb 1.20 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1qwv h LEU 8 CO 0.90 0.18 -0.13 0.28 0.09 0.00 0.00 178.44 179.76 1qwv h SER 9 N 0.45 0.59 -0.06 -0.43 0.02 -1.92 0.12 113.55 112.32 1qwv h SER 9 Ca 0.28 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1qwv h SER 9 Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1qwv h SER 9 CO -0.26 0.75 -0.48 -1.13 -1.14 0.00 0.00 176.83 174.57 1qwv h ASN 10 N 0.55 0.67 0.35 3.07 -0.73 -1.65 -1.41 115.58 116.43 1qwv h ASN 10 Ca 0.10 -0.33 -0.02 0.00 1.87 0.00 0.00 56.30 57.92 1qwv h ASN 10 Cb 0.55 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1qwv h ASN 10 CO 0.03 1.04 -0.17 -1.13 -0.37 0.00 0.00 177.43 176.84 1qwv h ASN 11 N 0.49 -0.39 0.00 1.15 -1.24 -0.08 -3.35 115.58 112.16 1qwv h ASN 11 Ca 0.03 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1qwv h ASN 11 Cb 1.02 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1qwv h ASN 11 CO 0.09 -0.02 0.00 0.49 -1.29 0.00 0.00 177.43 176.71 1qwv n PHE 12 N -5.15 0.00 -3.26 0.67 3.01 0.38 -4.88 117.46 108.23 1qwv n PHE 12 Ca -0.10 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.13 1qwv n PHE 12 Cb 0.27 -0.13 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1qwv n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qwv n GLY 13 N -0.81 -0.50 0.12 1.37 0.00 -0.53 -4.89 105.19 99.95 1qwv n GLY 13 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1qwv n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qwv h LYS 14 N -1.24 0.27 -2.35 1.61 3.11 -1.90 -3.43 116.57 112.65 1qwv h LYS 14 Ca -0.48 -0.47 -0.52 0.00 -2.81 0.00 0.00 60.65 56.38 1qwv h LYS 14 Cb 1.33 0.17 -0.36 0.00 -1.00 0.00 0.00 32.23 32.37 1qwv h LYS 14 CO 0.55 1.14 -0.82 0.00 -2.81 0.00 0.00 179.45 177.51 1qwv s ALA 15 N -2.60 0.56 -0.09 5.00 0.00 -1.26 -4.97 121.76 118.40 1qwv s ALA 15 Ca -0.12 -1.68 -0.21 0.00 0.00 0.00 0.00 51.96 49.95 1qwv s ALA 15 Cb 0.06 -1.74 -0.28 0.00 0.00 0.00 0.00 23.12 21.16 1qwv s ALA 15 CO 0.84 -2.10 0.72 0.52 0.00 0.00 0.00 175.76 175.74 1qwv h MET 16 N 6.78 0.21 -0.54 0.00 2.86 -1.99 -3.23 114.93 119.02 1qwv h MET 16 Ca 0.09 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1qwv h MET 16 Cb 0.99 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1qwv h MET 16 CO 0.25 1.17 0.35 0.22 1.06 0.00 0.00 176.91 179.96 1qwv h ASP 17 N -0.50 0.62 1.21 1.22 3.58 -1.99 -0.30 116.42 120.25 1qwv h ASP 17 Ca -0.18 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 1qwv h ASP 17 Cb 1.55 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.43 1qwv h ASP 17 CO 0.07 0.46 -0.80 1.56 -2.88 0.00 0.00 179.24 177.65 1qwv h GLN 18 N 0.73 0.00 -0.00 0.28 1.08 -1.99 -2.74 115.11 112.46 1qwv h GLN 18 Ca 0.20 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.21 1qwv h GLN 18 Cb -0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1qwv h GLN 18 CO -0.04 0.07 -0.83 0.00 -0.95 0.00 0.00 178.83 177.07 1qwv h LYS 20 N 0.08 -0.63 -0.12 0.00 1.63 -0.79 -1.44 116.57 115.30 1qwv h LYS 20 Ca -0.03 0.04 -0.23 0.00 -0.85 0.00 0.00 60.65 59.58 1qwv h LYS 20 Cb 1.45 0.14 0.01 0.00 -0.60 0.00 0.00 32.23 33.23 1qwv h LYS 20 CO 0.12 -0.42 -0.82 0.22 -3.45 0.00 0.00 179.45 175.10 1qwv h ASP 21 N -0.66 0.91 0.28 4.20 3.58 -1.59 -1.41 116.42 121.74 1qwv h ASP 21 Ca -0.03 -0.62 -0.13 0.00 0.42 0.00 0.00 57.03 56.67 1qwv h ASP 21 Cb 0.56 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1qwv h ASP 21 CO 0.00 1.42 -0.50 -0.08 -2.88 0.00 0.00 179.24 177.20 1qwv h GLU 22 N 0.50 0.25 -0.01 0.28 4.81 -1.32 -1.79 114.58 117.31 1qwv h GLU 22 Ca -0.06 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1qwv h GLU 22 Cb 1.45 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1qwv h GLU 22 CO 0.17 0.70 -0.02 1.28 -0.73 0.00 0.00 179.01 180.40 1qwv n LEU 23 N -3.96 0.53 -1.88 1.64 7.99 -0.55 -4.87 117.00 115.90 1qwv n LEU 23 Ca -0.02 -0.13 -0.17 0.00 -0.01 0.00 0.00 56.01 55.68 1qwv n LEU 23 Cb 0.54 -0.05 -0.01 0.00 -0.11 0.00 0.00 43.42 43.79 1qwv n LEU 23 CO 0.43 0.09 -0.21 -0.24 -1.51 0.00 0.00 177.39 175.95 1qwv n SER 24 N -0.66 -5.02 -4.71 -1.43 2.88 -0.67 -4.91 113.62 99.10 1qwv n SER 24 Ca 0.20 0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 1qwv n SER 24 Cb 0.22 -4.10 -0.03 0.00 -0.75 0.00 0.00 64.21 59.55 1qwv n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1qwv s LEU 25 N -4.80 4.35 0.47 2.46 1.43 -0.53 -4.99 118.68 117.06 1qwv s LEU 25 Ca 0.00 2.19 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 1qwv s LEU 25 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1qwv s LEU 25 CO 0.00 -0.64 0.97 -2.16 0.23 0.00 0.00 176.35 174.75 1qwv s PRO 26 N 1.54 4.09 0.48 1.29 0.04 -1.26 -4.79 135.00 136.39 1qwv s PRO 26 Ca 0.63 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.89 1qwv s PRO 26 Cb -0.34 -2.16 1.16 0.00 0.04 0.00 0.00 34.50 33.21 1qwv s PRO 26 CO 0.29 -0.15 2.04 -0.44 0.04 0.00 0.00 177.00 178.77 1qwv h ASP 27 N 1.47 0.19 0.21 6.66 5.19 -1.97 -1.46 116.42 126.71 1qwv h ASP 27 Ca -0.48 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1qwv h ASP 27 Cb 1.18 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1qwv h ASP 27 CO 0.61 0.12 -0.10 0.77 -3.12 0.00 0.00 179.24 177.52 1qwv h SER 28 N 0.22 -0.24 0.01 6.45 4.64 -1.99 -2.14 113.55 120.50 1qwv h SER 28 Ca 0.18 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qwv h SER 28 Cb 0.43 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1qwv h SER 28 CO -0.03 0.04 -0.00 0.58 -0.87 0.00 0.00 176.83 176.55 1qwv h VAL 29 N -0.54 1.37 -0.26 0.95 2.07 -1.81 0.13 116.25 118.16 1qwv h VAL 29 Ca -0.03 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1qwv h VAL 29 Cb 0.40 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1qwv h VAL 29 CO 0.05 0.29 0.11 1.62 0.02 0.00 0.00 177.57 179.65 1qwv h VAL 30 N -0.48 1.10 -0.06 2.57 3.04 -1.39 0.21 116.25 121.23 1qwv h VAL 30 Ca -0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 66.70 65.30 1qwv h VAL 30 Cb 0.48 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1qwv h VAL 30 CO 0.00 0.12 -0.25 0.00 -1.01 0.00 0.00 177.57 176.44 1qwv h ALA 31 N 1.76 0.11 -0.71 3.17 0.00 -1.32 -2.09 119.26 120.18 1qwv h ALA 31 Ca 0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1qwv h ALA 31 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1qwv h ALA 31 CO -0.01 0.11 0.33 0.22 0.00 0.00 0.00 179.25 179.90 1qwv h ASP 32 N -0.24 0.93 0.33 0.00 3.58 -0.44 -1.54 116.42 119.04 1qwv h ASP 32 Ca -0.01 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1qwv h ASP 32 Cb 0.89 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 1qwv h ASP 32 CO 0.05 0.80 -0.37 0.25 -2.88 0.00 0.00 179.24 177.09 1qwv h LEU 33 N 1.02 -1.01 -0.16 2.28 5.85 -0.64 -2.61 115.31 120.03 1qwv h LEU 33 Ca 0.25 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1qwv h LEU 33 Cb 0.12 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1qwv h LEU 33 CO -0.03 -0.50 0.00 -1.22 -0.34 0.00 0.00 178.44 176.35 1qwv n TYR 34 N -5.47 0.00 -1.66 1.25 4.01 -0.64 -4.89 117.16 109.76 1qwv n TYR 34 Ca -0.10 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.14 1qwv n TYR 34 Cb 0.37 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 1qwv n TYR 34 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qwv n ASN 35 N -0.37 2.70 0.06 7.72 2.85 -0.85 -4.84 115.26 122.53 1qwv n ASN 35 Ca 0.00 1.06 -0.05 0.00 -0.11 0.00 0.00 54.58 55.48 1qwv n ASN 35 Cb 0.02 -1.30 0.15 0.00 1.24 0.00 0.00 39.78 39.89 1qwv n ASN 35 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1qwv h PHE 36 N 6.72 0.42 -3.25 1.20 3.57 -1.90 -3.43 116.94 120.27 1qwv h PHE 36 Ca -0.47 -0.13 -0.57 0.00 3.53 0.00 0.00 57.97 60.33 1qwv h PHE 36 Cb 1.29 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1qwv h PHE 36 CO 0.72 0.76 -0.09 -1.58 -2.23 0.00 0.00 178.31 175.89 1qwv s TRP 37 N -4.03 3.68 -1.24 0.41 0.51 -1.26 -4.97 118.94 112.03 1qwv s TRP 37 Ca -0.05 1.10 -0.19 0.00 -2.12 0.00 0.00 56.10 54.84 1qwv s TRP 37 Cb 0.12 -2.39 -0.00 0.00 -0.81 0.00 0.00 33.47 30.39 1qwv s TRP 37 CO 0.80 0.51 1.87 0.36 -0.51 0.00 0.00 176.95 179.97 1qwv n LYS 38 N 1.19 2.49 -0.31 4.98 2.85 -1.26 -4.78 118.16 123.32 1qwv n LYS 38 Ca -0.08 -2.83 0.11 0.00 -1.05 0.00 0.00 58.31 54.47 1qwv n LYS 38 Cb 0.52 -3.51 0.25 0.00 -0.65 0.00 0.00 35.03 31.63 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 8.15 -0.39 -1.86 -5.58 1.82 -1.93 -3.46 116.42 113.17 1qwv h ASP 39 Ca 0.38 0.24 -0.20 0.00 -0.39 0.00 0.00 57.03 57.07 1qwv h ASP 39 Cb 0.85 0.42 0.01 0.00 0.68 0.00 0.00 39.33 41.29 1qwv h ASP 39 CO 1.46 -0.28 -0.27 0.47 -1.61 0.00 0.00 179.24 179.01 1qwv n ASP 40 N -5.42 -3.54 -4.27 2.28 8.00 -1.26 -5.03 116.55 107.31 1qwv n ASP 40 Ca 0.20 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 1qwv n ASP 40 Cb 0.65 -2.64 0.18 0.00 -0.02 0.00 0.00 41.12 39.29 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1qwv s TYR 41 N -2.65 1.70 -0.15 1.24 -0.85 -1.26 -4.96 117.35 110.43 1qwv s TYR 41 Ca 0.06 0.49 -0.19 0.00 -0.52 0.00 0.00 57.07 56.91 1qwv s TYR 41 Cb -0.03 -3.80 -0.04 0.00 0.38 0.00 0.00 41.96 38.48 1qwv s TYR 41 CO 0.08 -2.73 0.53 0.08 -1.52 0.00 0.00 175.55 171.99 1qwv s VAL 42 N -3.59 5.13 -0.77 -3.49 1.01 -1.26 -4.99 120.40 112.44 1qwv s VAL 42 Ca 0.70 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 63.46 1qwv s VAL 42 Cb -0.08 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1qwv s VAL 42 CO 0.53 0.24 1.93 -0.32 0.00 0.00 0.00 175.10 177.49 1qwv s MET 43 N 1.13 2.55 -0.01 2.72 1.75 -1.26 -4.75 119.30 121.42 1qwv s MET 43 Ca 0.27 0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.81 1qwv s MET 43 Cb -0.16 -4.76 -0.28 0.00 2.84 0.00 0.00 34.83 32.47 1qwv s MET 43 CO 0.11 -3.14 0.80 1.79 -0.65 0.00 0.00 175.02 173.93 1qwv h THR 44 N 7.13 1.08 -3.45 10.11 1.35 -2.03 -3.44 112.91 123.66 1qwv h THR 44 Ca -0.06 -2.73 -0.61 0.00 -0.55 0.00 0.00 66.41 62.46 1qwv h THR 44 Cb 1.08 2.73 -0.10 0.00 -1.73 0.00 0.00 68.15 70.12 1qwv h THR 44 CO 1.21 0.81 0.37 -0.62 -0.25 0.00 0.00 175.52 177.04 1qwv s ASP 45 N -6.98 6.64 0.35 5.36 -1.08 -1.26 -4.92 116.67 114.77 1qwv s ASP 45 Ca -0.10 0.62 0.09 0.00 -0.52 0.00 0.00 52.55 52.64 1qwv s ASP 45 Cb 0.07 -2.40 0.82 0.00 -1.46 0.00 0.00 42.92 39.95 1qwv s ASP 45 CO 0.85 -0.61 1.85 0.08 0.52 0.00 0.00 175.17 177.86 1qwv h ARG 46 N 8.15 0.67 0.00 4.34 -0.00 -1.92 -2.13 114.38 123.48 1qwv h ARG 46 Ca -0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 1qwv h ARG 46 Cb 1.10 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.92 1qwv h ARG 46 CO 0.88 0.44 0.00 -0.11 -0.00 0.00 0.00 179.97 181.18 1qwv n LEU 47 N -4.59 0.69 -0.00 0.08 7.94 -1.26 -1.72 117.00 118.13 1qwv n LEU 47 Ca 0.19 0.68 -0.09 0.00 -1.11 0.00 0.00 56.01 55.68 1qwv n LEU 47 Cb 0.51 -0.61 -0.07 0.00 0.53 0.00 0.00 43.42 43.78 1qwv n LEU 47 CO 0.28 -0.62 0.28 0.00 -1.11 0.00 0.00 177.39 176.23 1qwv h ALA 48 N 2.23 -0.11 -0.90 1.96 0.00 -1.72 -2.63 119.26 118.10 1qwv h ALA 48 Ca 0.00 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.91 1qwv h ALA 48 Cb 0.33 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.00 1qwv h ALA 48 CO 0.00 -0.14 -0.02 0.41 0.00 0.00 0.00 179.25 179.49 1qwv n GLY 49 N 1.19 -1.27 0.19 0.00 0.00 -0.74 -1.03 105.19 103.54 1qwv n GLY 49 Ca -0.06 0.89 -0.09 0.00 0.00 0.00 0.00 46.02 46.76 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 -2.30 1.82 -0.32 0.00 0.00 -0.19 -2.15 120.51 117.36 1qwv n ALA 51 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1qwv n ALA 51 Cb 0.14 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.46 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 1.15 -2.97 0.00 2.04 -0.78 -3.33 117.51 113.62 1qwv h ILE 52 Ca 0.00 -0.40 -0.62 0.00 1.00 0.00 0.00 64.86 64.85 1qwv h ILE 52 Cb 0.35 -0.10 -0.41 0.00 -0.74 0.00 0.00 36.82 35.92 1qwv h ILE 52 CO 0.00 0.21 -0.70 0.54 0.00 0.00 0.00 178.15 178.20 1qwv s ASN 53 N -6.09 3.79 -0.05 1.72 6.03 -0.91 -4.20 114.94 115.22 1qwv s ASN 53 Ca -0.12 -3.20 -0.02 0.00 -1.03 0.00 0.00 52.86 48.49 1qwv s ASN 53 Cb 0.19 -1.24 -0.02 0.00 -3.03 0.00 0.00 41.25 37.15 1qwv s ASN 53 CO 0.80 -0.18 -0.06 0.00 -2.03 0.00 0.00 177.10 175.63 1qwv h LEU 55 N -0.15 0.16 0.00 0.00 4.07 -1.90 -1.53 115.31 115.96 1qwv h LEU 55 Ca -0.13 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.08 1qwv h LEU 55 Cb 1.12 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1qwv h LEU 55 CO -0.07 0.89 -0.08 0.00 -1.08 0.00 0.00 178.44 178.11 1qwv h ALA 56 N 0.27 0.95 0.15 1.53 0.00 -1.89 -2.51 119.26 117.76 1qwv h ALA 56 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1qwv h ALA 56 Cb 0.91 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1qwv h ALA 56 CO 0.03 0.00 -1.33 1.15 0.00 0.00 0.00 179.25 179.10 1qwv h THR 57 N 0.00 1.41 0.00 0.00 2.02 -1.79 -3.25 112.91 111.29 1qwv h THR 57 Ca 0.00 -2.96 -0.03 0.00 0.77 0.00 0.00 66.41 64.19 1qwv h THR 57 Cb 0.78 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1qwv h THR 57 CO 0.00 0.87 -0.14 0.11 0.37 0.00 0.00 175.52 176.72 1qwv h LYS 58 N 0.09 0.00 0.50 6.66 1.57 -0.96 -3.27 116.57 121.15 1qwv h LYS 58 Ca -0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1qwv h LYS 58 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1qwv h LYS 58 CO 0.21 0.14 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.93 1qwv h LEU 59 N 0.00 -0.56 -6.23 2.94 3.38 -1.49 -3.47 115.31 109.86 1qwv h LEU 59 Ca -0.00 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1qwv h LEU 59 Cb 0.70 0.15 -0.26 0.00 0.09 0.00 0.00 40.66 41.34 1qwv h LEU 59 CO 0.02 -0.35 0.41 -0.62 0.09 0.00 0.00 178.44 177.99 1qwv s ASP 60 N -3.43 -0.27 -0.04 -0.43 2.15 -1.23 -5.06 116.67 108.35 1qwv s ASP 60 Ca -0.10 0.37 0.01 0.00 0.43 0.00 0.00 52.55 53.27 1qwv s ASP 60 Cb 0.01 1.31 0.05 0.00 -0.30 0.00 0.00 42.92 43.99 1qwv s ASP 60 CO 0.29 -0.05 0.58 0.55 -0.17 0.00 0.00 175.17 176.37 1qwv n VAL 61 N 4.74 0.00 -3.92 1.11 3.14 -1.26 -4.85 118.33 117.29 1qwv n VAL 61 Ca -0.07 -0.11 -0.36 0.00 -2.96 0.00 0.00 64.34 60.84 1qwv n VAL 61 Cb 0.54 0.35 -0.13 0.00 -1.06 0.00 0.00 33.84 33.54 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 4.00 -0.08 1.55 -7.23 -1.26 -3.97 120.40 113.43 1qwv s VAL 62 Ca 0.01 -0.28 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 1qwv s VAL 62 Cb 0.05 -2.84 -0.17 0.00 0.56 0.00 0.00 36.38 33.98 1qwv s VAL 62 CO -0.01 0.39 0.78 -0.78 -0.31 0.00 0.00 175.10 175.17 1qwv h ASP 63 N 7.88 -0.10 0.00 4.85 3.58 -1.87 -3.47 116.42 127.28 1qwv h ASP 63 Ca -0.38 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.59 1qwv h ASP 63 Cb 1.17 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1qwv h ASP 63 CO 0.60 0.55 0.00 -0.81 -2.88 0.00 0.00 179.24 176.70 1qwv n PRO 64 N -4.82 2.84 0.00 0.28 -0.05 -1.26 -4.91 135.00 127.08 1qwv n PRO 64 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1qwv n PRO 64 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.74 1qwv n PRO 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1qwv n ASP 65 N 0.00 0.04 0.00 3.54 2.03 -1.26 -4.79 116.55 116.11 1qwv n ASP 65 Ca 0.00 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 54.02 1qwv n ASP 65 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qwv n GLY 66 N 0.15 2.36 3.86 0.27 0.00 -1.26 -5.09 105.19 105.47 1qwv n GLY 66 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 6.56 -0.76 1.61 4.22 -1.26 -4.28 114.94 121.03 1qwv s ASN 67 Ca 0.00 1.39 -0.04 0.00 -2.14 0.00 0.00 52.86 52.07 1qwv s ASN 67 Cb 0.00 -2.44 0.00 0.00 1.28 0.00 0.00 41.25 40.10 1qwv s ASN 67 CO 0.00 -0.53 0.54 0.18 -2.04 0.00 0.00 177.10 175.25 1qwv n LEU 68 N -1.55 -2.58 -4.58 3.54 7.99 -1.26 -4.58 117.00 113.99 1qwv n LEU 68 Ca 0.05 -0.25 -0.37 0.00 -0.01 0.00 0.00 56.01 55.43 1qwv n LEU 68 Cb 0.54 -1.85 -0.03 0.00 -0.11 0.00 0.00 43.42 41.97 1qwv n LEU 68 CO 0.47 0.29 1.75 -1.38 -1.51 0.00 0.00 177.39 177.01 1qwv s HIS 69 N -3.08 2.42 -0.10 -1.77 -3.43 -1.26 -4.69 115.29 103.37 1qwv s HIS 69 Ca 0.27 -0.71 -0.05 0.00 -0.80 0.00 0.00 55.06 53.77 1qwv s HIS 69 Cb -0.12 -4.44 -0.02 0.00 -1.43 0.00 0.00 32.58 26.57 1qwv s HIS 69 CO 0.33 -1.58 -0.09 1.25 -2.00 0.00 0.00 174.74 172.65 1qwv h HIS 70 N 8.65 0.00 0.65 0.38 6.17 -1.91 -3.32 115.15 125.77 1qwv h HIS 70 Ca 0.33 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.38 1qwv h HIS 70 Cb 0.91 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.85 1qwv h HIS 70 CO 1.33 0.00 -0.31 0.78 0.71 0.00 0.00 177.93 180.44 1qwv h GLY 71 N -0.83 -0.91 1.11 5.26 0.00 -1.95 -2.26 103.07 103.49 1qwv h GLY 71 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 47.33 47.79 1qwv h GLY 71 CO 0.00 -0.33 0.32 -0.57 0.00 0.00 0.00 176.54 175.96 1qwv h ASN 72 N -0.87 0.00 0.15 0.19 -0.73 -1.84 -0.56 115.58 111.92 1qwv h ASN 72 Ca -0.09 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.88 1qwv h ASN 72 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1qwv h ASN 72 CO 0.14 0.00 -0.77 0.00 -0.37 0.00 0.00 177.43 176.44 1qwv h ALA 73 N 1.77 0.49 0.20 1.57 0.00 -1.52 0.35 119.26 122.12 1qwv h ALA 73 Ca 0.21 -0.62 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1qwv h ALA 73 Cb 0.85 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.63 1qwv h ALA 73 CO -0.00 0.74 -1.39 0.87 0.00 0.00 0.00 179.25 179.47 1qwv h LYS 74 N 0.35 0.57 -0.87 0.00 1.79 -0.96 -2.64 116.57 114.80 1qwv h LYS 74 Ca -0.04 -0.89 -0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1qwv h LYS 74 Cb 1.37 0.32 -0.04 0.00 -1.58 0.00 0.00 32.23 32.29 1qwv h LYS 74 CO 0.14 1.42 0.53 0.22 -1.08 0.00 0.00 179.45 180.68 1qwv h ASP 75 N 0.20 1.03 -0.78 0.86 3.58 -1.12 -2.29 116.42 117.90 1qwv h ASP 75 Ca -0.23 -0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.23 1qwv h ASP 75 Cb 2.08 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 42.80 1qwv h ASP 75 CO 0.26 0.79 0.45 0.15 -2.88 0.00 0.00 179.24 178.01 1qwv h PHE 76 N 1.19 0.83 0.00 0.28 3.57 -0.24 -0.38 116.94 122.20 1qwv h PHE 76 Ca 0.31 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1qwv h PHE 76 Cb -0.07 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1qwv h PHE 76 CO -0.00 0.39 -0.27 0.00 -2.23 0.00 0.00 178.31 176.20 1qwv h ALA 77 N 1.40 1.08 -0.45 2.41 0.00 -1.06 0.53 119.26 123.16 1qwv h ALA 77 Ca 0.35 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1qwv h ALA 77 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1qwv h ALA 77 CO -0.20 0.34 -0.25 0.52 0.00 0.00 0.00 179.25 179.66 1qwv h MET 78 N 0.00 0.95 -0.00 0.00 2.86 -0.54 -0.05 114.93 118.14 1qwv h MET 78 Ca -0.00 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1qwv h MET 78 Cb 0.73 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1qwv h MET 78 CO 0.04 1.08 -0.53 0.36 1.06 0.00 0.00 176.91 178.92 1qwv n LYS 79 N -4.10 0.41 -3.58 1.72 0.00 -0.98 -4.47 118.16 107.16 1qwv n LYS 79 Ca -0.00 -0.28 -0.29 0.00 -0.00 0.00 0.00 58.31 57.74 1qwv n LYS 79 Cb 0.47 -1.49 -0.12 0.00 -0.00 0.00 0.00 35.03 33.88 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 -2.78 1.39 0.00 5.58 3.76 0.16 -4.97 115.29 118.42 1qwv s HIS 80 Ca 0.15 -2.07 0.00 0.00 -0.15 0.00 0.00 55.06 52.99 1qwv s HIS 80 Cb 0.18 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.46 1qwv s HIS 80 CO 0.66 -0.80 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 1qwv n GLY 81 N 3.70 2.31 3.91 -2.22 0.00 -1.20 -4.36 105.19 107.34 1qwv n GLY 81 Ca 0.12 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 3.87 0.49 4.61 0.00 -0.04 -3.87 121.76 126.82 1qwv s ALA 82 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 1qwv s ALA 82 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 1qwv s ALA 82 CO 0.00 0.70 1.01 -0.51 0.00 0.00 0.00 175.76 176.96 1qwv s ASP 83 N -2.54 6.44 0.25 0.00 1.11 -1.26 -4.22 116.67 116.45 1qwv s ASP 83 Ca 0.39 1.81 0.05 0.00 0.18 0.00 0.00 52.55 54.98 1qwv s ASP 83 Cb -0.12 -2.55 0.30 0.00 1.07 0.00 0.00 42.92 41.63 1qwv s ASP 83 CO 0.26 -0.71 1.60 1.05 1.18 0.00 0.00 175.17 178.55 1qwv h GLU 84 N 1.40 0.24 -0.15 8.23 4.11 -1.94 0.32 114.58 126.80 1qwv h GLU 84 Ca -0.49 -0.15 0.04 0.00 0.07 0.00 0.00 59.36 58.84 1qwv h GLU 84 Cb 1.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1qwv h GLU 84 CO 0.60 0.73 0.12 0.00 0.07 0.00 0.00 179.01 180.52 1qwv h THR 85 N 0.19 0.79 0.13 -1.06 1.03 -1.97 0.64 112.91 112.65 1qwv h THR 85 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.07 1qwv h THR 85 Cb 1.03 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1qwv h THR 85 CO 0.09 0.00 -1.76 0.24 -0.01 0.00 0.00 175.52 174.07 1qwv h MET 86 N 0.00 0.27 -0.94 0.00 2.86 -1.37 -2.29 114.93 113.46 1qwv h MET 86 Ca 0.07 -0.46 0.03 0.00 -2.06 0.00 0.00 59.70 57.28 1qwv h MET 86 Cb 0.31 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 1qwv h MET 86 CO -0.00 1.22 0.62 0.00 1.06 0.00 0.00 176.91 179.81 1qwv h ALA 87 N 0.01 1.39 0.00 6.32 0.00 -0.94 -0.98 119.26 125.06 1qwv h ALA 87 Ca -0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1qwv h ALA 87 Cb 1.94 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1qwv h ALA 87 CO 0.08 0.52 -0.53 1.96 0.00 0.00 0.00 179.25 181.28 1qwv h GLN 88 N 1.19 0.00 0.00 0.00 7.50 0.26 0.57 115.11 124.63 1qwv h GLN 88 Ca 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.46 1qwv h GLN 88 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1qwv h GLN 88 CO -0.11 0.53 -0.37 -0.56 -1.50 0.00 0.00 178.83 176.82 1qwv h GLN 89 N 0.00 0.00 0.17 1.46 3.07 -1.20 -3.33 115.11 115.28 1qwv h GLN 89 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.44 1qwv h GLN 89 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.73 1qwv h GLN 89 CO 0.07 0.27 -1.39 1.25 0.09 0.00 0.00 178.83 179.11 1qwv h LEU 90 N 0.00 0.56 -1.76 0.06 6.46 -0.38 -3.35 115.31 116.89 1qwv h LEU 90 Ca -0.01 -0.91 0.07 0.00 -0.12 0.00 0.00 57.88 56.91 1qwv h LEU 90 Cb 1.22 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1qwv h LEU 90 CO 0.04 1.64 0.29 -0.37 -0.62 0.00 0.00 178.44 179.41 1qwv h VAL 91 N -0.12 0.94 -0.46 1.05 -1.51 -0.00 0.12 116.25 116.27 1qwv h VAL 91 Ca -0.27 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1qwv h VAL 91 Cb 1.91 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1qwv h VAL 91 CO 0.15 0.05 0.26 -0.78 -1.23 0.00 0.00 177.57 176.03 1qwv h ASP 92 N 0.30 0.56 -0.37 4.19 3.58 -1.70 0.67 116.42 123.65 1qwv h ASP 92 Ca 0.19 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1qwv h ASP 92 Cb 0.38 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1qwv h ASP 92 CO -0.04 0.47 0.02 0.40 -2.88 0.00 0.00 179.24 177.21 1qwv h ILE 93 N 0.60 1.25 -0.51 2.25 1.08 -1.30 -2.18 117.51 118.71 1qwv h ILE 93 Ca 0.16 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1qwv h ILE 93 Cb 0.02 1.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.83 1qwv h ILE 93 CO -0.03 0.32 0.07 0.40 -0.69 0.00 0.00 178.15 178.21 1qwv h ILE 94 N 0.47 0.67 -0.17 -0.67 2.04 -0.49 0.46 117.51 119.82 1qwv h ILE 94 Ca 0.11 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 1qwv h ILE 94 Cb 0.43 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1qwv h ILE 94 CO 0.01 0.03 -0.47 0.45 0.00 0.00 0.00 178.15 178.18 1qwv h HIS 95 N 0.19 0.54 0.00 1.37 3.86 -0.81 -2.00 115.15 118.30 1qwv h HIS 95 Ca 0.26 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1qwv h HIS 95 Cb 0.36 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1qwv h HIS 95 CO -0.26 0.83 -0.28 0.78 0.86 0.00 0.00 177.93 179.87 1qwv h GLY 96 N 1.16 0.00 1.82 2.45 0.00 -0.64 -2.60 103.07 105.25 1qwv h GLY 96 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1qwv h GLY 96 CO 0.08 0.00 -0.62 0.00 0.00 0.00 0.00 176.54 176.00 1qwv h GLU 98 N 0.14 0.86 -0.42 0.00 4.81 -1.49 0.25 114.58 118.73 1qwv h GLU 98 Ca -0.01 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1qwv h GLU 98 Cb 1.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1qwv h GLU 98 CO 0.09 0.99 0.04 -0.22 -0.73 0.00 0.00 179.01 179.18 1qwv h LYS 99 N 0.75 0.72 -0.64 1.92 1.63 -1.17 -2.99 116.57 116.78 1qwv h LYS 99 Ca 0.10 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1qwv h LYS 99 Cb 0.75 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1qwv h LYS 99 CO 0.06 0.77 0.00 0.45 -3.45 0.00 0.00 179.45 177.28 1qwv n SER 100 N -4.46 4.34 -4.79 4.20 2.88 0.22 -4.94 113.62 111.07 1qwv n SER 100 Ca -0.00 -2.53 -0.34 0.00 -1.33 0.00 0.00 58.87 54.67 1qwv n SER 100 Cb 0.26 -0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qwv s ALA 101 N -2.06 2.74 0.83 -1.46 0.00 0.87 -4.97 121.76 117.71 1qwv s ALA 101 Ca 0.43 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 1qwv s ALA 101 Cb 0.30 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1qwv s ALA 101 CO 0.17 -0.67 0.62 -2.30 0.00 0.00 0.00 175.76 173.58 1qwv n PRO 102 N -1.44 0.04 0.00 0.00 -0.02 -1.26 -4.80 135.00 127.52 1qwv n PRO 102 Ca 0.10 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1qwv n PRO 102 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1qwv n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qwv n PRO 103 N -1.65 0.45 -2.95 0.52 -0.04 -1.26 -4.60 135.00 125.47 1qwv n PRO 103 Ca 0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.12 1qwv n PRO 103 Cb 0.51 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qwv s ASN 104 N 0.22 6.46 -0.83 3.54 0.01 -1.26 -4.98 114.94 118.10 1qwv s ASN 104 Ca 0.00 -1.71 -0.25 0.00 -0.71 0.00 0.00 52.86 50.19 1qwv s ASN 104 Cb 0.00 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.32 1qwv s ASN 104 CO 0.00 -1.15 1.30 -0.62 -1.51 0.00 0.00 177.10 175.12 1qwv s ASP 105 N 3.59 6.28 -0.28 -1.22 2.15 -1.26 -4.87 116.67 121.06 1qwv s ASP 105 Ca 0.27 -0.86 0.02 0.00 0.43 0.00 0.00 52.55 52.41 1qwv s ASP 105 Cb -0.11 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.04 1qwv s ASP 105 CO -0.02 -1.68 -0.03 -0.62 -0.17 0.00 0.00 175.17 172.65 1qwv s ASP 106 N 4.12 4.38 0.08 -0.34 -1.08 -1.26 -5.04 116.67 117.53 1qwv s ASP 106 Ca 0.37 -1.62 -0.13 0.00 -0.52 0.00 0.00 52.55 50.66 1qwv s ASP 106 Cb -0.06 -1.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.97 1qwv s ASP 106 CO 0.06 -0.28 0.71 0.29 0.52 0.00 0.00 175.17 176.47 1qwv n LYS 107 N 4.46 -0.18 0.02 4.34 4.01 -1.26 -0.51 118.16 129.04 1qwv n LYS 107 Ca -0.07 0.70 0.11 0.00 -0.51 0.00 0.00 58.31 58.55 1qwv n LYS 107 Cb 0.42 -1.04 0.06 0.00 -0.51 0.00 0.00 35.03 33.97 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qwv h MET 109 N 0.00 0.00 -0.94 0.00 1.85 -1.10 -3.31 114.93 111.43 1qwv h MET 109 Ca 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1qwv h MET 109 Cb 0.63 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.61 1qwv h MET 109 CO 0.00 0.54 0.61 1.57 -0.40 0.00 0.00 176.91 179.24 1qwv h LYS 110 N 0.00 1.10 0.00 0.39 5.09 -1.63 0.32 116.57 121.85 1qwv h LYS 110 Ca -0.12 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.55 1qwv h LYS 110 Cb 1.69 -0.25 0.00 0.00 0.10 0.00 0.00 32.23 33.77 1qwv h LYS 110 CO 0.08 0.73 0.11 0.00 -2.09 0.00 0.00 179.45 178.28 1qwv h THR 111 N 1.14 0.00 0.10 0.07 1.03 -1.84 0.01 112.91 113.42 1qwv h THR 111 Ca 0.39 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.46 1qwv h THR 111 Cb 0.09 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 67.74 1qwv h THR 111 CO -0.13 0.00 -1.74 0.40 -0.01 0.00 0.00 175.52 174.04 1qwv h ILE 112 N 0.00 0.89 -0.67 0.00 5.03 -0.56 -2.56 117.51 119.65 1qwv h ILE 112 Ca 0.00 -2.61 0.03 0.00 -0.12 0.00 0.00 64.86 62.16 1qwv h ILE 112 Cb 0.22 2.60 -0.04 0.00 -3.03 0.00 0.00 36.82 36.57 1qwv h ILE 112 CO 0.00 0.77 0.44 -0.78 -0.68 0.00 0.00 178.15 177.90 1qwv h ASP 113 N 0.06 0.69 0.38 1.72 1.82 -0.76 0.14 116.42 120.46 1qwv h ASP 113 Ca -0.32 -0.01 -0.32 0.00 -0.39 0.00 0.00 57.03 55.99 1qwv h ASP 113 Cb 2.03 -0.16 0.03 0.00 0.68 0.00 0.00 39.33 41.90 1qwv h ASP 113 CO 0.12 0.48 -1.42 -0.37 -1.61 0.00 0.00 179.24 176.43 1qwv h VAL 114 N 0.80 1.34 -0.29 2.25 -1.51 -1.51 -2.74 116.25 114.59 1qwv h VAL 114 Ca 0.27 -2.81 -0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1qwv h VAL 114 Cb 0.07 3.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 1qwv h VAL 114 CO -0.07 0.84 0.18 0.00 -1.23 0.00 0.00 177.57 177.28 1qwv h ALA 115 N 0.29 0.37 0.00 5.19 0.00 -0.96 -0.64 119.26 123.51 1qwv h ALA 115 Ca -0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1qwv h ALA 115 Cb 2.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1qwv h ALA 115 CO 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.31 1qwv h MET 116 N 0.37 0.00 0.00 0.00 -0.00 -0.86 -1.36 114.93 113.08 1qwv h MET 116 Ca 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.74 1qwv h MET 116 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 1qwv h MET 116 CO -0.02 0.07 -0.30 0.00 -0.00 0.00 0.00 176.91 176.66 1qwv h PHE 118 N 0.00 0.17 0.00 0.00 3.57 -0.01 -2.50 116.94 118.18 1qwv h PHE 118 Ca -0.00 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 1qwv h PHE 118 Cb 0.58 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1qwv h PHE 118 CO 0.00 1.15 -0.47 1.57 -2.23 0.00 0.00 178.31 178.33 1qwv h LYS 119 N -0.79 0.00 0.15 1.11 -0.00 -1.53 -1.21 116.57 114.30 1qwv h LYS 119 Ca -0.08 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.58 1qwv h LYS 119 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.44 1qwv h LYS 119 CO 0.03 0.47 -0.28 -0.22 -0.00 0.00 0.00 179.45 179.45 1qwv h LYS 120 N 0.00 -0.49 0.03 0.07 3.64 -1.49 -0.53 116.57 117.80 1qwv h LYS 120 Ca -0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1qwv h LYS 120 Cb 0.87 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1qwv h LYS 120 CO 0.06 -0.33 -0.10 0.93 -2.27 0.00 0.00 179.45 177.74 1qwv h GLU 121 N -0.51 -0.19 -0.37 1.90 4.39 -1.05 -0.24 114.58 118.52 1qwv h GLU 121 Ca 0.02 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1qwv h GLU 121 Cb 0.52 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1qwv h GLU 121 CO -0.14 -0.12 0.24 0.97 -1.16 0.00 0.00 179.01 178.80 1qwv h ILE 122 N -0.19 1.05 -0.02 3.13 2.10 -1.19 0.15 117.51 122.54 1qwv h ILE 122 Ca 0.03 -0.14 -0.13 0.00 1.08 0.00 0.00 64.86 65.69 1qwv h ILE 122 Cb 0.22 0.59 -0.02 0.00 -1.09 0.00 0.00 36.82 36.53 1qwv h ILE 122 CO -0.08 0.08 -0.60 0.45 -1.08 0.00 0.00 178.15 176.92 1qwv h HIS 123 N 0.42 0.08 -0.07 2.19 3.86 -0.58 -2.59 115.15 118.45 1qwv h HIS 123 Ca 0.14 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.12 1qwv h HIS 123 Cb 0.06 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1qwv h HIS 123 CO -0.00 0.65 -0.79 -0.22 0.86 0.00 0.00 177.93 178.42 1qwv h LYS 124 N 0.05 0.45 -0.24 2.45 3.64 0.10 -2.63 116.57 120.39 1qwv h LYS 124 Ca -0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1qwv h LYS 124 Cb 1.07 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1qwv h LYS 124 CO 0.08 1.04 0.00 1.47 -2.27 0.00 0.00 179.45 179.77 1qwv n LEU 125 N -3.82 1.46 -1.15 5.20 -0.00 -0.08 -5.04 117.00 113.56 1qwv n LEU 125 Ca -0.05 -0.70 0.15 0.00 -0.00 0.00 0.00 56.01 55.41 1qwv n LEU 125 Cb 0.75 -0.16 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1qwv n LEU 125 CO 0.49 0.35 -0.39 0.59 -0.00 0.00 0.00 177.39 178.43 1qwv n ASN 126 N 0.26 -6.80 -4.09 1.45 5.03 -0.98 -5.02 115.26 105.11 1qwv n ASN 126 Ca 0.11 0.88 -0.19 0.00 0.87 0.00 0.00 54.58 56.25 1qwv n ASN 126 Cb 0.25 -3.76 0.00 0.00 -1.02 0.00 0.00 39.78 35.25 1qwv n ASN 126 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 1qwv n TRP 127 N -3.93 -0.82 -1.79 3.10 2.14 -1.26 -4.69 117.44 110.19 1qwv n TRP 127 Ca -0.04 -1.72 -0.29 0.00 2.07 0.00 0.00 57.50 57.52 1qwv n TRP 127 Cb 0.54 -0.33 0.13 0.00 -0.81 0.00 0.00 31.31 30.84 1qwv n TRP 127 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 1qwv s VAL 128 N -2.01 1.98 -0.75 -1.67 -7.23 -1.26 -4.90 120.40 104.56 1qwv s VAL 128 Ca 0.23 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1qwv s VAL 128 Cb -0.02 -2.92 -0.16 0.00 0.56 0.00 0.00 36.38 33.84 1qwv s VAL 128 CO 0.15 0.00 2.41 -2.65 -0.31 0.00 0.00 175.10 174.70 1qwv n PRO 129 N -3.61 0.55 -1.73 4.82 -0.02 -1.26 -4.77 135.00 128.99 1qwv n PRO 129 Ca 0.10 -0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1qwv n PRO 129 Cb 0.60 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1qwv n PRO 129 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qwv n ASN 130 N 14.83 -0.20 -4.06 2.55 6.94 -1.26 -5.12 115.26 128.95 1qwv n ASN 130 Ca 0.49 -1.10 -0.32 0.00 -0.02 0.00 0.00 54.58 53.63 1qwv n ASN 130 Cb 0.37 0.32 -0.14 0.00 -2.36 0.00 0.00 39.78 37.97 1qwv n ASN 130 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1qwv s MET 131 N -2.01 1.75 -0.45 -3.83 -1.94 -1.26 -5.07 119.30 106.49 1qwv s MET 131 Ca 0.03 -1.75 -0.29 0.00 -1.71 0.00 0.00 55.69 51.96 1qwv s MET 131 Cb -0.00 -3.23 0.03 0.00 2.01 0.00 0.00 34.83 33.63 1qwv s MET 131 CO 0.01 -0.89 1.15 0.34 -0.01 0.00 0.00 175.02 175.61 1qwv s ASP 132 N 1.13 6.66 -0.43 3.03 -1.08 -1.26 -4.88 116.67 119.83 1qwv s ASP 132 Ca 0.07 0.58 0.05 0.00 -0.52 0.00 0.00 52.55 52.72 1qwv s ASP 132 Cb -0.20 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.38 1qwv s ASP 132 CO -0.06 -1.21 1.88 0.18 0.52 0.00 0.00 175.17 176.47 1qwv n LEU 133 N 7.77 6.53 -1.27 -1.34 4.32 -1.26 -4.19 117.00 127.56 1qwv n LEU 133 Ca 0.12 -3.60 0.09 0.00 -0.02 0.00 0.00 56.01 52.61 1qwv n LEU 133 Cb 0.49 -0.82 0.30 0.00 -1.62 0.00 0.00 43.42 41.77 1qwv n LEU 133 CO 0.70 1.05 0.76 0.52 -1.22 0.00 0.00 177.39 179.20 1qwv n VAL 134 N -1.08 1.54 0.90 4.08 0.31 -1.26 -4.48 118.33 118.35 1qwv n VAL 134 Ca 0.57 -1.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1qwv n VAL 134 Cb 1.62 0.24 0.00 0.00 -0.91 0.00 0.00 33.84 34.79 1qwv n VAL 134 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1qwv n ILE 135 N 0.94 0.00 -1.06 2.52 -0.00 -1.26 -3.99 119.36 116.50 1qwv n ILE 135 Ca 0.22 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.76 1qwv n ILE 135 Cb 0.74 -0.31 0.03 0.00 -0.00 0.00 0.00 39.64 40.10 1qwv n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qwv n GLY 136 N 0.16 4.39 3.53 3.28 0.00 -1.26 -4.94 105.19 110.34 1qwv n GLY 136 Ca 0.00 -1.40 -0.49 0.00 0.00 0.00 0.00 46.02 44.13 1qwv n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qwv n GLU 137 N 0.27 1.45 -2.10 1.61 2.13 -1.26 -4.84 120.64 117.90 1qwv n GLU 137 Ca 0.38 0.43 -0.40 0.00 0.66 0.00 0.00 57.16 58.23 1qwv n GLU 137 Cb 0.58 -2.66 -0.03 0.00 0.27 0.00 0.00 31.44 29.60 1qwv n GLU 137 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1qwv s VAL 138 N 6.96 3.45 -0.90 6.31 -7.23 -1.26 -4.92 120.40 122.81 1qwv s VAL 138 Ca 1.05 0.33 -0.24 0.00 -1.81 0.00 0.00 61.98 61.31 1qwv s VAL 138 Cb -0.72 -3.99 0.05 0.00 0.56 0.00 0.00 36.38 32.28 1qwv s VAL 138 CO 0.47 -0.89 1.36 -0.22 -0.31 0.00 0.00 175.10 175.51 1qwv s LEU 139 N 8.14 3.48 -0.70 1.32 0.20 -1.26 -4.95 118.68 124.90 1qwv s LEU 139 Ca 0.66 -1.11 -0.20 0.00 0.69 0.00 0.00 54.13 54.18 1qwv s LEU 139 Cb -0.14 -2.55 0.10 0.00 -0.43 0.00 0.00 46.19 43.17 1qwv s LEU 139 CO 0.23 -1.60 0.90 0.00 -0.29 0.00 0.00 176.35 175.59 1qwv s ALA 140 N 5.11 3.33 0.00 5.97 0.00 -1.26 -4.89 121.76 130.02 1qwv s ALA 140 Ca 0.41 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1qwv s ALA 140 Cb -0.04 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1qwv s ALA 140 CO -0.00 -2.64 0.00 -1.91 0.00 0.00 0.00 175.76 171.20 1qwv n GLU 141 N 6.75 0.00 -0.20 0.00 2.13 -1.26 -5.35 120.64 122.72 1qwv n GLU 141 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1qwv n GLU 141 Cb 0.45 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 32.12 1qwv n GLU 141 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00