#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 -0.02 1.43 0.13 -2.01 -3.15 132.00 128.37 1qwv h PRO 2 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1qwv h PRO 2 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1qwv h PRO 2 CO 0.00 0.06 -0.19 0.93 -0.23 0.00 0.00 178.00 178.56 1qwv h GLU 3 N 0.00 -0.22 0.00 0.86 3.07 -1.93 0.12 114.58 116.48 1qwv h GLU 3 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qwv h GLU 3 Cb 0.34 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1qwv h GLU 3 CO 0.01 -0.14 0.00 0.97 -1.40 0.00 0.00 179.01 178.44 1qwv h ILE 4 N -0.22 0.00 0.06 3.13 6.09 -1.80 -3.10 117.51 121.66 1qwv h ILE 4 Ca 0.01 -0.43 -0.27 0.00 -1.37 0.00 0.00 64.86 62.80 1qwv h ILE 4 Cb 0.25 1.33 0.02 0.00 0.47 0.00 0.00 36.82 38.89 1qwv h ILE 4 CO -0.14 0.00 -1.08 0.24 -3.07 0.00 0.00 178.15 174.10 1qwv h MET 5 N 0.00 0.63 -6.27 2.19 2.86 -1.43 -3.41 114.93 109.50 1qwv h MET 5 Ca 0.00 -0.75 -0.56 0.00 -2.06 0.00 0.00 59.70 56.33 1qwv h MET 5 Cb 0.60 0.23 -0.09 0.00 0.06 0.00 0.00 31.60 32.40 1qwv h MET 5 CO 0.00 1.33 1.18 0.21 1.06 0.00 0.00 176.91 180.69 1qwv s LYS 6 N -3.14 3.31 0.07 1.72 2.20 0.37 -4.96 119.74 119.31 1qwv s LYS 6 Ca -0.10 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1qwv s LYS 6 Cb 0.06 -4.53 -0.09 0.00 -1.51 0.00 0.00 37.83 31.76 1qwv s LYS 6 CO 0.91 -2.16 1.79 1.21 -0.36 0.00 0.00 175.35 176.75 1qwv s ASN 7 N 4.10 6.51 0.35 1.43 2.47 -1.26 -4.89 114.94 123.65 1qwv s ASN 7 Ca 0.38 2.60 0.02 0.00 0.42 0.00 0.00 52.86 56.28 1qwv s ASN 7 Cb -0.06 -2.55 0.62 0.00 -1.45 0.00 0.00 41.25 37.81 1qwv s ASN 7 CO 0.08 -0.97 2.01 -0.07 -3.72 0.00 0.00 177.10 174.42 1qwv h LEU 8 N 9.29 0.74 -1.52 3.21 4.07 -1.92 -1.07 115.31 128.12 1qwv h LEU 8 Ca -0.45 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1qwv h LEU 8 Cb 1.21 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 1qwv h LEU 8 CO 0.94 0.54 0.29 0.28 -1.08 0.00 0.00 178.44 179.41 1qwv h SER 9 N 0.88 0.54 0.53 -0.43 0.02 -1.90 0.13 113.55 113.31 1qwv h SER 9 Ca 0.24 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.98 1qwv h SER 9 Cb -0.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1qwv h SER 9 CO -0.05 0.40 -0.81 -1.13 -1.14 0.00 0.00 176.83 174.11 1qwv h ASN 10 N 0.63 0.26 -0.25 3.07 -0.73 -1.55 -1.27 115.58 115.74 1qwv h ASN 10 Ca 0.17 -0.19 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 1qwv h ASN 10 Cb -0.04 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1qwv h ASN 10 CO -0.03 0.96 -0.09 0.78 -0.37 0.00 0.00 177.43 178.67 1qwv h ASN 11 N 0.13 0.51 0.00 1.15 2.35 -0.47 -3.34 115.58 115.91 1qwv h ASN 11 Ca -0.03 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1qwv h ASN 11 Cb 1.40 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1qwv h ASN 11 CO 0.12 0.79 0.00 0.49 -1.65 0.00 0.00 177.43 177.18 1qwv n PHE 12 N -4.51 0.00 -3.67 1.19 3.72 0.33 -4.87 117.46 109.65 1qwv n PHE 12 Ca -0.04 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.08 1qwv n PHE 12 Cb 0.33 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.20 -0.49 0.47 1.37 0.00 -0.48 -4.90 105.19 100.96 1qwv n GLY 13 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.55 -1.14 -2.40 1.61 3.64 -1.89 -3.42 116.57 111.41 1qwv h LYS 14 Ca -0.52 0.08 -0.40 0.00 -1.27 0.00 0.00 60.65 58.53 1qwv h LYS 14 Cb 1.34 0.26 -0.36 0.00 -0.41 0.00 0.00 32.23 33.07 1qwv h LYS 14 CO 0.63 -0.76 -0.69 0.00 -2.27 0.00 0.00 179.45 176.36 1qwv s ALA 15 N -5.75 -0.06 -0.06 5.00 0.00 -1.26 -4.99 121.76 114.64 1qwv s ALA 15 Ca -0.18 -0.57 0.24 0.00 0.00 0.00 0.00 51.96 51.45 1qwv s ALA 15 Cb 0.02 -1.63 0.74 0.00 0.00 0.00 0.00 23.12 22.26 1qwv s ALA 15 CO 0.56 -1.66 1.75 1.98 0.00 0.00 0.00 175.76 178.39 1qwv h MET 16 N 8.32 0.00 -0.67 0.00 4.05 -2.01 -3.28 114.93 121.35 1qwv h MET 16 Ca -0.16 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.43 1qwv h MET 16 Cb 1.06 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 1qwv h MET 16 CO 0.37 0.17 0.47 0.22 0.23 0.00 0.00 176.91 178.37 1qwv h ASP 17 N 0.00 0.14 1.18 1.39 3.58 -1.99 0.58 116.42 121.29 1qwv h ASP 17 Ca -0.00 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1qwv h ASP 17 Cb 0.86 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1qwv h ASP 17 CO 0.02 0.07 -0.84 1.56 -2.88 0.00 0.00 179.24 177.17 1qwv h GLN 18 N 0.15 0.00 -0.03 0.28 4.20 -2.00 -2.56 115.11 115.15 1qwv h GLN 18 Ca 0.32 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.81 1qwv h GLN 18 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1qwv h GLN 18 CO -0.05 0.08 -0.90 0.00 -0.67 0.00 0.00 178.83 177.30 1qwv h LYS 20 N 0.27 -0.13 -0.05 0.00 1.63 -0.84 0.69 116.57 118.14 1qwv h LYS 20 Ca -0.07 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1qwv h LYS 20 Cb 1.52 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 1qwv h LYS 20 CO 0.16 -0.09 -0.14 0.22 -3.45 0.00 0.00 179.45 176.15 1qwv h ASP 21 N -0.13 0.22 0.28 4.20 1.82 -1.56 -0.20 116.42 121.04 1qwv h ASP 21 Ca 0.02 -0.60 -0.12 0.00 -0.39 0.00 0.00 57.03 55.95 1qwv h ASP 21 Cb 0.16 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1qwv h ASP 21 CO -0.07 0.78 -0.46 -0.33 -1.61 0.00 0.00 179.24 177.55 1qwv h GLU 22 N -0.33 0.22 0.00 0.28 4.39 -1.36 -2.57 114.58 115.20 1qwv h GLU 22 Ca -0.00 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1qwv h GLU 22 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1qwv h GLU 22 CO 0.03 0.64 -1.16 1.28 -1.16 0.00 0.00 179.01 178.64 1qwv n LEU 23 N -3.99 0.81 -3.19 1.33 7.99 0.23 -4.98 117.00 115.19 1qwv n LEU 23 Ca -0.02 0.32 -0.15 0.00 -0.01 0.00 0.00 56.01 56.15 1qwv n LEU 23 Cb 0.51 -0.02 0.08 0.00 -0.11 0.00 0.00 43.42 43.88 1qwv n LEU 23 CO 0.42 -0.10 0.10 -0.24 -1.51 0.00 0.00 177.39 176.06 1qwv n SER 24 N -2.71 -2.15 -4.69 -1.43 2.88 -0.15 -4.93 113.62 100.43 1qwv n SER 24 Ca -0.03 -0.56 -0.42 0.00 -1.33 0.00 0.00 58.87 56.53 1qwv n SER 24 Cb 0.62 -4.69 -0.03 0.00 -0.75 0.00 0.00 64.21 59.36 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 -5.92 4.38 0.61 2.46 2.01 -0.79 -4.98 118.68 116.44 1qwv s LEU 25 Ca 0.01 2.60 -0.18 0.00 0.01 0.00 0.00 54.13 56.57 1qwv s LEU 25 Cb -0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 46.19 42.61 1qwv s LEU 25 CO 0.66 -0.92 1.21 -2.84 1.01 0.00 0.00 176.35 175.47 1qwv s PRO 26 N 2.50 2.85 0.43 1.29 0.02 -1.26 -4.82 135.00 136.01 1qwv s PRO 26 Ca 0.76 1.83 0.16 0.00 0.02 0.00 0.00 61.00 63.76 1qwv s PRO 26 Cb -0.43 -1.91 1.06 0.00 0.02 0.00 0.00 34.50 33.24 1qwv s PRO 26 CO 0.34 -1.30 1.94 0.38 -0.33 0.00 0.00 177.00 178.02 1qwv h ASP 27 N 0.71 0.36 0.94 2.53 3.04 -2.00 -1.00 116.42 121.01 1qwv h ASP 27 Ca -0.50 0.02 -0.19 0.00 -3.24 0.00 0.00 57.03 53.11 1qwv h ASP 27 Cb 1.30 -0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 39.50 1qwv h ASP 27 CO 0.54 0.20 -0.91 0.28 -2.04 0.00 0.00 179.24 177.31 1qwv h SER 28 N 0.39 0.00 0.00 4.15 0.02 -1.98 -2.41 113.55 113.72 1qwv h SER 28 Ca 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1qwv h SER 28 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1qwv h SER 28 CO -0.10 0.91 -0.07 0.58 -1.14 0.00 0.00 176.83 177.02 1qwv h VAL 29 N 0.00 1.67 0.00 2.27 2.07 -1.57 -0.32 116.25 120.36 1qwv h VAL 29 Ca -0.01 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 1qwv h VAL 29 Cb 1.63 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 34.44 1qwv h VAL 29 CO 0.12 0.54 -0.02 1.62 0.02 0.00 0.00 177.57 179.85 1qwv h VAL 30 N -0.79 0.75 0.11 2.57 3.04 -1.48 0.40 116.25 120.84 1qwv h VAL 30 Ca -0.01 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 1qwv h VAL 30 Cb 0.92 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1qwv h VAL 30 CO 0.01 0.02 -0.05 0.00 -1.01 0.00 0.00 177.57 176.53 1qwv h ALA 31 N 1.98 -0.15 -0.26 3.17 0.00 -1.38 -2.55 119.26 120.07 1qwv h ALA 31 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1qwv h ALA 31 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qwv h ALA 31 CO 0.00 -0.36 -0.03 -0.44 0.00 0.00 0.00 179.25 178.42 1qwv h ASP 32 N -0.60 0.36 -0.14 0.00 3.32 -0.21 -1.62 116.42 117.53 1qwv h ASP 32 Ca -0.02 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1qwv h ASP 32 Cb 0.47 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 1qwv h ASP 32 CO 0.03 0.45 -0.34 0.25 -1.72 0.00 0.00 179.24 177.90 1qwv h LEU 33 N 0.38 -1.07 -0.21 1.55 5.85 -0.27 -1.67 115.31 119.87 1qwv h LEU 33 Ca 0.08 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1qwv h LEU 33 Cb 0.30 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1qwv h LEU 33 CO 0.01 -0.37 0.00 -1.22 -0.34 0.00 0.00 178.44 176.52 1qwv n TYR 34 N -5.42 0.00 -1.68 1.25 4.01 -0.62 -4.89 117.16 109.81 1qwv n TYR 34 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1qwv n TYR 34 Cb 0.34 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.33 4.06 0.02 7.72 2.85 -0.63 -4.86 115.26 124.09 1qwv n ASN 35 Ca 0.00 0.96 -0.11 0.00 -0.11 0.00 0.00 54.58 55.32 1qwv n ASN 35 Cb 0.02 -1.53 0.03 0.00 1.24 0.00 0.00 39.78 39.54 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 9.25 0.69 -2.97 1.20 3.57 -1.90 -3.40 116.94 123.39 1qwv h PHE 36 Ca -0.48 -0.27 -0.68 0.00 3.53 0.00 0.00 57.97 60.07 1qwv h PHE 36 Cb 1.23 -0.12 -0.18 0.00 2.79 0.00 0.00 35.95 39.67 1qwv h PHE 36 CO 0.85 1.02 0.20 -1.58 -2.23 0.00 0.00 178.31 176.57 1qwv s TRP 37 N -3.83 2.94 -1.25 0.41 0.51 -1.26 -4.97 118.94 111.49 1qwv s TRP 37 Ca -0.07 -0.72 -0.19 0.00 -2.12 0.00 0.00 56.10 53.00 1qwv s TRP 37 Cb 0.11 -3.94 0.00 0.00 -0.81 0.00 0.00 33.47 28.83 1qwv s TRP 37 CO 0.85 -1.29 1.86 1.63 -0.51 0.00 0.00 176.95 179.49 1qwv n LYS 38 N 6.61 2.58 0.00 4.98 5.02 -1.26 -4.81 118.16 131.28 1qwv n LYS 38 Ca -0.07 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1qwv n LYS 38 Cb 0.44 -3.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 1qwv n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qwv n ASP 39 N 9.81 0.03 -3.84 4.39 2.03 -1.26 -4.75 116.55 122.96 1qwv n ASP 39 Ca 0.48 -0.25 -0.27 0.00 0.52 0.00 0.00 54.79 55.27 1qwv n ASP 39 Cb 0.45 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.87 1qwv n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1qwv n ASP 40 N -0.30 -3.81 -4.62 1.67 2.03 -1.26 -4.98 116.55 105.28 1qwv n ASP 40 Ca 0.00 -0.78 -0.26 0.00 0.52 0.00 0.00 54.79 54.27 1qwv n ASP 40 Cb 0.01 -3.99 0.11 0.00 -0.72 0.00 0.00 41.12 36.53 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1qwv s TYR 41 N -3.41 2.06 -0.21 -0.67 -0.85 -1.26 -5.06 117.35 107.95 1qwv s TYR 41 Ca 0.46 0.12 -0.15 0.00 -0.52 0.00 0.00 57.07 56.99 1qwv s TYR 41 Cb -0.23 -3.35 -0.04 0.00 0.38 0.00 0.00 41.96 38.72 1qwv s TYR 41 CO 0.82 -1.83 0.34 0.08 -1.52 0.00 0.00 175.55 173.44 1qwv s VAL 42 N -3.36 5.24 -0.50 -3.49 1.01 -1.26 -5.02 120.40 113.02 1qwv s VAL 42 Ca 0.66 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 1qwv s VAL 42 Cb -0.07 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1qwv s VAL 42 CO 0.46 0.28 1.88 -0.32 0.00 0.00 0.00 175.10 177.40 1qwv s MET 43 N 1.19 2.85 -0.16 2.72 1.75 -1.26 -4.81 119.30 121.58 1qwv s MET 43 Ca 0.17 0.97 -0.03 0.00 -1.25 0.00 0.00 55.69 55.55 1qwv s MET 43 Cb -0.14 -4.33 -0.23 0.00 2.84 0.00 0.00 34.83 32.96 1qwv s MET 43 CO 0.07 -2.45 0.20 0.25 -0.65 0.00 0.00 175.02 172.44 1qwv n THR 44 N 7.35 1.69 -2.92 10.11 -2.24 -1.26 -4.91 114.28 122.09 1qwv n THR 44 Ca 0.23 -0.64 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 1qwv n THR 44 Cb 0.50 -1.60 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 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 -6.83 7.28 0.22 3.42 -1.08 -1.26 -4.94 116.67 113.48 1qwv s ASP 45 Ca -0.25 1.53 0.09 0.00 -0.52 0.00 0.00 52.55 53.40 1qwv s ASP 45 Cb 0.07 -2.50 0.16 0.00 -1.46 0.00 0.00 42.92 39.19 1qwv s ASP 45 CO 0.72 -0.01 1.49 0.03 0.52 0.00 0.00 175.17 177.93 1qwv h ARG 46 N 5.65 0.01 0.00 4.34 -0.00 -1.91 -2.51 114.38 119.95 1qwv h ARG 46 Ca -0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1qwv h ARG 46 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.18 1qwv h ARG 46 CO 0.71 0.76 0.00 -0.07 0.00 0.00 0.00 179.97 181.37 1qwv h LEU 47 N 0.01 0.00 0.00 3.04 -0.00 -1.93 -1.68 115.31 114.75 1qwv h LEU 47 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1qwv h LEU 47 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1qwv h LEU 47 CO 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 178.44 178.48 1qwv h ALA 48 N 2.16 0.01 -0.99 1.53 0.00 -1.79 -2.15 119.26 118.02 1qwv h ALA 48 Ca 0.00 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1qwv h ALA 48 Cb 0.25 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 1qwv h ALA 48 CO 0.00 0.04 -0.03 0.78 0.00 0.00 0.00 179.25 180.04 1qwv h GLY 49 N -1.00 1.13 0.91 0.00 0.00 -1.54 -0.98 103.07 101.58 1qwv h GLY 49 Ca -0.01 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1qwv h GLY 49 CO -0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 176.54 176.04 1qwv h ALA 51 N 0.85 1.00 -0.91 0.00 0.00 -0.63 -2.43 119.26 117.14 1qwv h ALA 51 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1qwv h ALA 51 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1qwv h ALA 51 CO 0.02 0.00 0.58 0.82 0.00 0.00 0.00 179.25 180.67 1qwv h ILE 52 N 0.00 0.86 -1.72 0.00 2.04 -1.04 -3.28 117.51 114.38 1qwv h ILE 52 Ca 0.00 -0.26 -0.50 0.00 1.00 0.00 0.00 64.86 65.10 1qwv h ILE 52 Cb 0.40 0.03 -0.34 0.00 -0.74 0.00 0.00 36.82 36.17 1qwv h ILE 52 CO 0.00 0.14 -0.97 -3.20 0.00 0.00 0.00 178.15 174.12 1qwv n ASN 53 N -4.57 -0.54 -0.11 1.72 2.85 -0.93 -4.59 115.26 109.10 1qwv n ASN 53 Ca 0.17 -2.74 -0.19 0.00 -0.11 0.00 0.00 54.58 51.71 1qwv n ASN 53 Cb 0.43 -0.16 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qwv h LEU 55 N -0.46 0.31 0.00 0.00 5.85 -1.90 0.92 115.31 120.03 1qwv h LEU 55 Ca -0.51 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1qwv h LEU 55 Cb 1.57 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1qwv h LEU 55 CO -0.23 0.34 -0.15 0.00 -0.34 0.00 0.00 178.44 178.07 1qwv h ALA 56 N 0.97 0.91 0.14 1.25 0.00 -1.95 -2.35 119.26 118.23 1qwv h ALA 56 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1qwv h ALA 56 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qwv h ALA 56 CO -0.01 0.00 -1.57 1.15 0.00 0.00 0.00 179.25 178.82 1qwv h THR 57 N 0.00 1.13 0.00 0.00 2.02 -1.68 -3.27 112.91 111.10 1qwv h THR 57 Ca 0.00 -2.74 -0.04 0.00 0.77 0.00 0.00 66.41 64.40 1qwv h THR 57 Cb 0.81 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1qwv h THR 57 CO 0.00 0.83 -0.21 0.11 0.37 0.00 0.00 175.52 176.62 1qwv h LYS 58 N 0.08 0.00 0.31 6.66 1.79 -0.65 -3.25 116.57 121.52 1qwv h LYS 58 Ca -0.26 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1qwv h LYS 58 Cb 2.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1qwv h LYS 58 CO 0.18 0.21 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.53 1qwv h LEU 59 N 0.00 -0.35 -6.32 2.94 3.38 -1.51 -3.48 115.31 109.98 1qwv h LEU 59 Ca -0.00 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1qwv h LEU 59 Cb 0.58 0.09 -0.28 0.00 0.09 0.00 0.00 40.66 41.14 1qwv h LEU 59 CO 0.03 -0.21 0.50 -0.62 0.09 0.00 0.00 178.44 178.23 1qwv s ASP 60 N -3.05 -0.18 -0.34 -0.43 2.15 -1.22 -5.08 116.67 108.52 1qwv s ASP 60 Ca -0.06 0.25 0.03 0.00 0.43 0.00 0.00 52.55 53.20 1qwv s ASP 60 Cb 0.01 1.18 0.15 0.00 -0.30 0.00 0.00 42.92 43.96 1qwv s ASP 60 CO 0.18 -0.04 1.14 0.55 -0.17 0.00 0.00 175.17 176.84 1qwv n VAL 61 N 4.39 0.00 -4.22 1.11 3.14 -1.26 -4.85 118.33 116.64 1qwv n VAL 61 Ca -0.09 -0.84 -0.34 0.00 -2.96 0.00 0.00 64.34 60.11 1qwv n VAL 61 Cb 0.55 0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 33.91 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 0.07 3.70 -0.09 1.55 -7.23 -1.26 -4.16 120.40 112.98 1qwv s VAL 62 Ca 0.08 -0.41 -0.15 0.00 -1.81 0.00 0.00 61.98 59.70 1qwv s VAL 62 Cb 0.15 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 34.33 1qwv s VAL 62 CO -0.04 0.46 0.51 -0.78 -0.31 0.00 0.00 175.10 174.94 1qwv h ASP 63 N 7.30 -0.11 0.00 4.85 3.58 -1.86 -3.46 116.42 126.72 1qwv h ASP 63 Ca -0.34 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1qwv h ASP 63 Cb 1.18 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1qwv h ASP 63 CO 0.61 0.50 0.00 -0.81 -2.88 0.00 0.00 179.24 176.66 1qwv n PRO 64 N -4.83 2.94 0.00 0.28 -0.05 -1.26 -4.91 135.00 127.16 1qwv n PRO 64 Ca -0.05 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.49 1qwv n PRO 64 Cb 0.21 0.00 0.52 0.00 -0.05 0.00 0.00 33.50 34.18 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 0.00 0.00 3.54 2.03 -1.26 -4.82 116.55 116.04 1qwv n ASP 65 Ca 0.00 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1qwv n ASP 65 Cb 0.00 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.16 2.34 3.80 0.27 0.00 -1.26 -5.12 105.19 105.38 1qwv n GLY 66 Ca 0.12 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 6.54 -0.77 1.61 4.22 -1.26 -4.08 114.94 121.20 1qwv s ASN 67 Ca 0.00 1.88 -0.05 0.00 -2.14 0.00 0.00 52.86 52.55 1qwv s ASN 67 Cb 0.00 -2.56 0.01 0.00 1.28 0.00 0.00 41.25 39.98 1qwv s ASN 67 CO 0.00 -0.64 0.67 0.18 -2.04 0.00 0.00 177.10 175.27 1qwv n LEU 68 N -0.78 -2.83 -3.65 3.54 7.99 -1.26 -4.59 117.00 115.42 1qwv n LEU 68 Ca 0.08 -0.31 -0.42 0.00 -0.01 0.00 0.00 56.01 55.35 1qwv n LEU 68 Cb 0.53 -1.95 -0.03 0.00 -0.11 0.00 0.00 43.42 41.85 1qwv n LEU 68 CO 0.39 0.37 2.39 0.00 -1.51 0.00 0.00 177.39 179.03 1qwv n HIS 69 N -3.86 2.57 -0.08 -1.77 1.44 -1.26 -4.60 115.22 107.66 1qwv n HIS 69 Ca -0.01 -2.33 -0.15 0.00 -2.01 0.00 0.00 57.72 53.23 1qwv n HIS 69 Cb 0.54 -2.08 -0.12 0.00 0.12 0.00 0.00 29.99 28.45 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 7.00 0.00 0.62 -1.40 2.07 -1.90 -3.31 115.15 118.22 1qwv h HIS 70 Ca 0.50 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.99 1qwv h HIS 70 Cb 0.64 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.62 1qwv h HIS 70 CO 1.37 1.03 -0.30 0.78 -3.07 0.00 0.00 177.93 177.74 1qwv h GLY 71 N -1.00 -0.88 1.94 6.13 0.00 -1.95 -2.52 103.07 104.80 1qwv h GLY 71 Ca -0.07 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1qwv h GLY 71 CO -0.04 -0.32 0.02 -0.57 0.00 0.00 0.00 176.54 175.63 1qwv h ASN 72 N -0.84 0.00 0.11 0.19 -0.73 -1.84 -0.71 115.58 111.76 1qwv h ASN 72 Ca -0.08 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.89 1qwv h ASN 72 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1qwv h ASN 72 CO 0.14 0.00 -0.74 0.00 -0.37 0.00 0.00 177.43 176.46 1qwv h ALA 73 N 1.98 0.50 0.14 1.57 0.00 -1.55 0.26 119.26 122.16 1qwv h ALA 73 Ca 0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 54.91 54.03 1qwv h ALA 73 Cb 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qwv h ALA 73 CO -0.00 0.73 -1.26 0.87 0.00 0.00 0.00 179.25 179.60 1qwv h LYS 74 N 0.37 0.47 -0.15 0.00 1.57 -1.01 -2.67 116.57 115.16 1qwv h LYS 74 Ca -0.04 -0.69 -0.08 0.00 -1.87 0.00 0.00 60.65 57.97 1qwv h LYS 74 Cb 1.33 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1qwv h LYS 74 CO 0.14 1.31 -0.27 0.22 -0.57 0.00 0.00 179.45 180.28 1qwv h ASP 75 N 0.18 0.26 -0.83 0.86 3.58 -1.15 -1.68 116.42 117.65 1qwv h ASP 75 Ca -0.17 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.25 1qwv h ASP 75 Cb 1.94 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.86 1qwv h ASP 75 CO 0.23 0.54 0.52 0.15 -2.88 0.00 0.00 179.24 177.79 1qwv h PHE 76 N 0.24 0.96 -0.18 0.28 3.57 -0.30 0.33 116.94 121.83 1qwv h PHE 76 Ca 0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1qwv h PHE 76 Cb 0.60 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1qwv h PHE 76 CO 0.01 0.51 -0.45 0.00 -2.23 0.00 0.00 178.31 176.15 1qwv h ALA 77 N 1.38 0.88 0.00 2.41 0.00 -1.14 -1.76 119.26 121.03 1qwv h ALA 77 Ca 0.35 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 77 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qwv h ALA 77 CO -0.15 0.65 -0.47 0.52 0.00 0.00 0.00 179.25 179.80 1qwv h MET 78 N 0.37 0.00 0.00 0.00 2.86 -0.25 -0.77 114.93 117.14 1qwv h MET 78 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1qwv h MET 78 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1qwv h MET 78 CO 0.08 0.47 -1.20 0.36 1.06 0.00 0.00 176.91 177.68 1qwv n LYS 79 N -3.48 0.53 -3.61 1.72 2.85 0.10 -4.59 118.16 111.68 1qwv n LYS 79 Ca 0.00 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 56.99 1qwv n LYS 79 Cb 0.60 -1.70 -0.13 0.00 -0.65 0.00 0.00 35.03 33.15 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1qwv s HIS 80 N -3.35 1.36 0.00 5.58 3.76 -0.67 -4.95 115.29 117.03 1qwv s HIS 80 Ca -0.01 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 1qwv s HIS 80 Cb 0.12 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.38 1qwv s HIS 80 CO 0.81 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 1qwv n GLY 81 N 3.96 2.23 3.75 -2.22 0.00 -1.22 -4.52 105.19 107.18 1qwv n GLY 81 Ca 0.08 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.81 3.52 0.78 4.61 0.00 -0.30 -4.59 121.76 124.97 1qwv s ALA 82 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1qwv s ALA 82 Cb 0.00 -2.61 0.11 0.00 0.00 0.00 0.00 23.12 20.62 1qwv s ALA 82 CO 0.00 0.12 1.10 0.16 0.00 0.00 0.00 175.76 177.13 1qwv s ASP 83 N 0.18 4.28 0.40 0.00 -4.77 -1.26 -4.06 116.67 111.43 1qwv s ASP 83 Ca 0.26 0.26 0.07 0.00 -3.30 0.00 0.00 52.55 49.84 1qwv s ASP 83 Cb -0.16 -0.69 0.84 0.00 -1.09 0.00 0.00 42.92 41.81 1qwv s ASP 83 CO 0.12 -1.95 2.04 -0.33 0.70 0.00 0.00 175.17 175.75 1qwv h GLU 84 N -0.87 0.58 -0.11 2.11 5.08 -1.98 -0.59 114.58 118.80 1qwv h GLU 84 Ca -0.43 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1qwv h GLU 84 Cb 1.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1qwv h GLU 84 CO 0.51 0.38 -0.11 0.00 -1.00 0.00 0.00 179.01 178.79 1qwv h THR 85 N 0.60 1.15 0.22 1.13 1.03 -1.98 0.47 112.91 115.53 1qwv h THR 85 Ca 0.18 -0.65 -0.34 0.00 -0.01 0.00 0.00 66.41 65.58 1qwv h THR 85 Cb -0.01 1.20 0.02 0.00 -1.07 0.00 0.00 68.15 68.29 1qwv h THR 85 CO -0.04 0.20 -1.60 0.24 -0.01 0.00 0.00 175.52 174.31 1qwv h MET 86 N 0.16 0.46 -0.54 0.00 2.86 -1.50 -2.29 114.93 114.09 1qwv h MET 86 Ca 0.03 -0.79 -0.06 0.00 -2.06 0.00 0.00 59.70 56.82 1qwv h MET 86 Cb 0.31 0.30 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1qwv h MET 86 CO 0.02 1.38 0.10 0.00 1.06 0.00 0.00 176.91 179.46 1qwv h ALA 87 N 0.16 1.15 0.00 6.32 0.00 -1.02 -1.20 119.26 124.67 1qwv h ALA 87 Ca -0.29 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1qwv h ALA 87 Cb 2.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1qwv h ALA 87 CO 0.23 0.56 -0.48 1.96 0.00 0.00 0.00 179.25 181.52 1qwv h GLN 88 N 0.81 0.00 0.00 0.00 7.50 -0.05 0.36 115.11 123.73 1qwv h GLN 88 Ca 0.17 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.23 1qwv h GLN 88 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 1qwv h GLN 88 CO 0.00 0.48 -0.44 1.96 -1.50 0.00 0.00 178.83 179.34 1qwv h GLN 89 N 0.00 0.00 0.07 1.46 1.08 -1.15 -3.33 115.11 113.25 1qwv h GLN 89 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 1qwv h GLN 89 Cb 1.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1qwv h GLN 89 CO 0.06 0.42 -0.95 1.25 -0.95 0.00 0.00 178.83 178.66 1qwv h LEU 90 N 0.00 0.25 -1.33 1.46 5.85 -0.45 -3.33 115.31 117.76 1qwv h LEU 90 Ca -0.01 -0.84 0.08 0.00 0.84 0.00 0.00 57.88 57.95 1qwv h LEU 90 Cb 1.33 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1qwv h LEU 90 CO 0.06 1.41 0.51 -0.37 -0.34 0.00 0.00 178.44 179.71 1qwv h VAL 91 N -0.60 0.99 -0.34 1.05 -1.51 -0.46 0.16 116.25 115.54 1qwv h VAL 91 Ca -0.21 -0.27 -0.08 0.00 -1.23 0.00 0.00 66.70 64.91 1qwv h VAL 91 Cb 1.49 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1qwv h VAL 91 CO 0.02 0.14 -0.10 -0.78 -1.23 0.00 0.00 177.57 175.62 1qwv h ASP 92 N 0.78 0.68 -0.29 4.19 3.58 -1.71 -1.17 116.42 122.47 1qwv h ASP 92 Ca 0.35 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 1qwv h ASP 92 Cb 0.34 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1qwv h ASP 92 CO -0.13 0.89 -0.21 0.40 -2.88 0.00 0.00 179.24 177.32 1qwv h ILE 93 N 0.45 1.30 -0.39 2.25 5.03 -1.46 -1.80 117.51 122.89 1qwv h ILE 93 Ca 0.08 -1.35 0.06 0.00 -0.12 0.00 0.00 64.86 63.53 1qwv h ILE 93 Cb 0.60 1.54 -0.05 0.00 -3.03 0.00 0.00 36.82 35.88 1qwv h ILE 93 CO 0.04 0.43 0.10 0.40 -0.68 0.00 0.00 178.15 178.44 1qwv h ILE 94 N 0.39 0.83 -0.16 -0.67 2.04 -0.56 0.68 117.51 120.06 1qwv h ILE 94 Ca 0.06 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 1qwv h ILE 94 Cb 0.76 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1qwv h ILE 94 CO 0.06 0.04 -0.54 0.45 0.00 0.00 0.00 178.15 178.16 1qwv h HIS 95 N 0.24 0.58 0.10 1.37 3.86 -1.20 -2.21 115.15 117.88 1qwv h HIS 95 Ca 0.19 -0.20 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 1qwv h HIS 95 Cb 0.20 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1qwv h HIS 95 CO -0.18 0.90 -1.08 0.78 0.86 0.00 0.00 177.93 179.21 1qwv h GLY 96 N 1.16 0.24 1.41 2.45 0.00 -0.67 -2.41 103.07 105.25 1qwv h GLY 96 Ca 0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.54 1qwv h GLY 96 CO 0.10 0.53 -0.68 0.00 0.00 0.00 0.00 176.54 176.49 1qwv h GLU 98 N 0.42 1.09 -0.24 0.00 4.81 -1.52 0.29 114.58 119.43 1qwv h GLU 98 Ca -0.02 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1qwv h GLU 98 Cb 1.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1qwv h GLU 98 CO 0.13 0.94 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.90 1qwv h LYS 99 N 1.05 0.44 -0.50 1.92 1.63 -1.17 -2.77 116.57 117.16 1qwv h LYS 99 Ca 0.22 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1qwv h LYS 99 Cb 0.32 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1qwv h LYS 99 CO -0.00 0.65 0.00 0.43 -3.45 0.00 0.00 179.45 177.08 1qwv n SER 100 N -4.14 4.67 -4.86 4.20 7.64 0.18 -4.98 113.62 116.33 1qwv n SER 100 Ca -0.00 -2.70 -0.31 0.00 1.01 0.00 0.00 58.87 56.87 1qwv n SER 100 Cb 0.39 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.30 3.20 0.46 -0.43 0.00 0.98 -4.97 121.76 118.70 1qwv s ALA 101 Ca 0.47 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 1qwv s ALA 101 Cb 0.34 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 1qwv s ALA 101 CO 0.17 -0.24 1.25 -2.30 0.00 0.00 0.00 175.76 174.64 1qwv n PRO 102 N -1.74 1.79 -1.13 0.00 -0.02 -1.26 -4.80 135.00 127.83 1qwv n PRO 102 Ca 0.05 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 1qwv n PRO 102 Cb 0.54 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.23 0.97 -3.85 0.52 -0.04 -1.26 -4.77 135.00 126.35 1qwv n PRO 103 Ca 0.08 -1.68 -0.30 0.00 -0.04 0.00 0.00 63.50 61.55 1qwv n PRO 103 Cb 0.41 -3.00 -0.14 0.00 -0.04 0.00 0.00 33.50 30.73 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 6.08 4.19 -0.80 3.54 -0.87 -1.26 -5.07 114.94 120.74 1qwv s ASN 104 Ca 0.64 -2.33 -0.26 0.00 -1.57 0.00 0.00 52.86 49.35 1qwv s ASN 104 Cb 0.11 -1.28 0.01 0.00 -0.02 0.00 0.00 41.25 40.07 1qwv s ASN 104 CO 0.19 -0.33 1.53 -0.62 -2.57 0.00 0.00 177.10 175.31 1qwv s ASP 105 N 0.69 5.92 -0.09 -1.22 2.15 -1.26 -4.73 116.67 118.13 1qwv s ASP 105 Ca 0.14 -0.55 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 1qwv s ASP 105 Cb -0.22 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1qwv s ASP 105 CO -0.08 -1.99 0.18 -0.62 -0.17 0.00 0.00 175.17 172.48 1qwv s ASP 106 N 5.52 0.66 0.11 -0.34 -1.08 -1.26 -5.05 116.67 115.23 1qwv s ASP 106 Ca 0.49 0.37 -0.21 0.00 -0.52 0.00 0.00 52.55 52.68 1qwv s ASP 106 Cb -0.07 0.34 -0.05 0.00 -1.46 0.00 0.00 42.92 41.68 1qwv s ASP 106 CO 0.08 -0.24 1.10 1.17 0.52 0.00 0.00 175.17 177.80 1qwv n LYS 107 N 5.29 -0.30 0.00 4.34 4.81 -1.26 -1.19 118.16 129.85 1qwv n LYS 107 Ca -0.06 1.08 0.12 0.00 -0.87 0.00 0.00 58.31 58.58 1qwv n LYS 107 Cb 0.50 -1.59 0.26 0.00 0.02 0.00 0.00 35.03 34.23 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 0.69 -0.00 0.00 4.05 -1.49 -3.30 114.93 114.87 1qwv h MET 109 Ca 0.00 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1qwv h MET 109 Cb 0.51 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1qwv h MET 109 CO 0.00 0.93 0.00 1.57 0.23 0.00 0.00 176.91 179.64 1qwv h LYS 110 N 0.44 0.00 0.00 0.39 2.10 -1.55 -2.21 116.57 115.74 1qwv h LYS 110 Ca 0.06 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1qwv h LYS 110 Cb 0.76 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1qwv h LYS 110 CO 0.06 0.25 0.08 -2.37 -2.00 0.00 0.00 179.45 175.46 1qwv n THR 111 N -4.97 0.90 -0.02 0.07 5.66 -1.25 -1.49 114.28 113.18 1qwv n THR 111 Ca -0.08 0.75 -0.21 0.00 -3.05 0.00 0.00 64.05 61.46 1qwv n THR 111 Cb 0.14 -1.75 -0.13 0.00 -1.55 0.00 0.00 70.33 67.04 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 -2.23 1.73 -0.04 1.09 -0.00 -0.86 -1.97 119.36 117.08 1qwv n ILE 112 Ca -0.01 -0.61 0.01 0.00 -0.00 0.00 0.00 62.75 62.14 1qwv n ILE 112 Cb 0.11 -1.71 0.33 0.00 -0.00 0.00 0.00 39.64 38.36 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 -0.01 0.56 0.42 4.38 3.58 -0.95 -1.05 116.42 123.34 1qwv h ASP 113 Ca -0.44 -0.06 -0.31 0.00 0.42 0.00 0.00 57.03 56.64 1qwv h ASP 113 Cb 1.97 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.89 1qwv h ASP 113 CO 0.04 0.50 -1.45 -0.37 -2.88 0.00 0.00 179.24 175.09 1qwv h VAL 114 N 0.61 1.29 0.18 2.25 -1.51 -1.41 -2.85 116.25 114.82 1qwv h VAL 114 Ca 0.15 -2.82 -0.01 0.00 -1.23 0.00 0.00 66.70 62.79 1qwv h VAL 114 Cb 0.12 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1qwv h VAL 114 CO -0.02 0.85 -0.09 0.00 -1.23 0.00 0.00 177.57 177.08 1qwv h ALA 115 N 0.36 -0.24 0.00 5.19 0.00 -0.95 0.55 119.26 124.17 1qwv h ALA 115 Ca -0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1qwv h ALA 115 Cb 2.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1qwv h ALA 115 CO 0.22 -0.63 -0.28 0.00 0.00 0.00 0.00 179.25 178.55 1qwv h MET 116 N -0.25 0.00 0.00 0.00 -0.00 -1.35 -1.26 114.93 112.07 1qwv h MET 116 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1qwv h MET 116 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.79 1qwv h MET 116 CO 0.04 0.28 -0.20 0.00 -0.00 0.00 0.00 176.91 177.03 1qwv h PHE 118 N 0.00 0.03 0.00 0.00 3.57 0.30 -2.43 116.94 118.41 1qwv h PHE 118 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1qwv h PHE 118 Cb 0.58 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1qwv h PHE 118 CO 0.00 0.88 -0.21 -0.22 -2.23 0.00 0.00 178.31 176.53 1qwv h LYS 119 N -0.83 0.00 0.45 1.11 3.11 -1.40 0.49 116.57 119.50 1qwv h LYS 119 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1qwv h LYS 119 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1qwv h LYS 119 CO 0.01 0.21 -0.22 0.87 -2.81 0.00 0.00 179.45 177.51 1qwv h LYS 120 N 0.00 -0.58 -0.06 1.90 6.56 -1.31 -1.42 116.57 121.66 1qwv h LYS 120 Ca -0.00 0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1qwv h LYS 120 Cb 0.74 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.51 1qwv h LYS 120 CO 0.03 -0.39 -0.04 1.49 -2.06 0.00 0.00 179.45 178.48 1qwv h GLU 121 N -0.60 -0.05 -0.73 3.15 4.57 -0.91 -1.78 114.58 118.23 1qwv h GLU 121 Ca -0.06 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.29 1qwv h GLU 121 Cb 0.47 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1qwv h GLU 121 CO 0.10 -0.03 0.50 0.97 -1.18 0.00 0.00 179.01 179.36 1qwv h ILE 122 N -0.05 0.74 -0.08 2.32 -0.00 -0.03 0.57 117.51 120.98 1qwv h ILE 122 Ca 0.04 -0.09 -0.14 0.00 -0.00 0.00 0.00 64.86 64.67 1qwv h ILE 122 Cb 0.11 0.45 -0.01 0.00 -0.00 0.00 0.00 36.82 37.36 1qwv h ILE 122 CO -0.09 0.05 -0.56 0.45 -0.00 0.00 0.00 178.15 178.00 1qwv h HIS 123 N 0.27 0.32 0.02 2.19 3.86 -0.42 -2.98 115.15 118.42 1qwv h HIS 123 Ca 0.36 -0.11 -0.21 0.00 -1.16 0.00 0.00 60.37 59.24 1qwv h HIS 123 Cb 1.00 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 1qwv h HIS 123 CO -0.00 0.76 -0.97 -0.22 0.86 0.00 0.00 177.93 178.35 1qwv h LYS 124 N 0.20 0.08 -0.08 2.45 1.63 -0.18 -3.05 116.57 117.61 1qwv h LYS 124 Ca 0.00 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1qwv h LYS 124 Cb 1.05 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1qwv h LYS 124 CO 0.09 0.98 0.00 1.28 -3.45 0.00 0.00 179.45 178.35 1qwv n LEU 125 N -3.48 0.08 -4.60 5.20 4.77 0.18 -4.85 117.00 114.29 1qwv n LEU 125 Ca -0.02 -0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.56 1qwv n LEU 125 Cb 0.89 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 42.02 1qwv n LEU 125 CO 0.48 0.02 0.50 -3.20 -1.33 0.00 0.00 177.39 173.86 1qwv n ASN 126 N -0.41 0.42 -4.40 -1.43 2.85 -1.14 -4.80 115.26 106.36 1qwv n ASN 126 Ca 0.00 0.68 -0.36 0.00 -0.11 0.00 0.00 54.58 54.80 1qwv n ASN 126 Cb 0.02 -1.39 -0.04 0.00 1.24 0.00 0.00 39.78 39.61 1qwv n ASN 126 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1qwv n TRP 127 N -2.37 3.27 -5.25 1.20 4.27 -1.26 -4.88 117.44 112.41 1qwv n TRP 127 Ca 0.13 -2.03 -0.31 0.00 -3.89 0.00 0.00 57.50 51.40 1qwv n TRP 127 Cb 0.49 -2.51 -0.16 0.00 -1.36 0.00 0.00 31.31 27.77 1qwv n TRP 127 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 1qwv s VAL 128 N 7.64 2.00 -0.34 -1.67 -7.23 -1.26 -5.10 120.40 114.44 1qwv s VAL 128 Ca 0.61 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 1qwv s VAL 128 Cb 0.04 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1qwv s VAL 128 CO 0.10 0.56 1.25 -2.84 -0.31 0.00 0.00 175.10 173.86 1qwv s PRO 129 N -0.37 3.89 0.64 4.82 0.02 -1.26 -5.03 135.00 137.70 1qwv s PRO 129 Ca 0.03 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.19 1qwv s PRO 129 Cb -0.12 -3.87 0.10 0.00 0.02 0.00 0.00 34.50 30.63 1qwv s PRO 129 CO 0.01 -1.16 0.88 1.21 -0.33 0.00 0.00 177.00 177.62 1qwv s ASN 130 N 2.65 4.77 0.00 2.53 2.47 -1.26 -4.98 114.94 121.13 1qwv s ASN 130 Ca 0.54 -0.49 0.07 0.00 0.42 0.00 0.00 52.86 53.39 1qwv s ASN 130 Cb -0.14 -0.04 0.40 0.00 -1.45 0.00 0.00 41.25 40.02 1qwv s ASN 130 CO 0.24 -1.55 1.23 1.15 -3.72 0.00 0.00 177.10 174.45 1qwv n MET 131 N -2.53 0.98 -3.41 0.43 0.00 -1.26 -4.72 117.12 106.61 1qwv n MET 131 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.47 1qwv n MET 131 Cb 0.61 -1.11 -0.07 0.00 0.00 0.00 0.00 33.22 32.65 1qwv n MET 131 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1qwv s ASP 132 N -1.23 6.51 -0.17 3.17 -4.77 -1.26 -5.07 116.67 113.84 1qwv s ASP 132 Ca 0.10 0.60 -0.00 0.00 -3.30 0.00 0.00 52.55 49.95 1qwv s ASP 132 Cb 0.05 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 1qwv s ASP 132 CO 0.08 -0.01 -0.15 -0.22 0.70 0.00 0.00 175.17 175.57 1qwv s LEU 133 N 0.88 2.42 -0.26 2.11 2.96 -1.26 -5.09 118.68 120.44 1qwv s LEU 133 Ca 0.20 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1qwv s LEU 133 Cb -0.14 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.04 1qwv s LEU 133 CO 0.07 0.04 -0.11 0.68 -1.32 0.00 0.00 176.35 175.71 1qwv s VAL 134 N 1.10 2.27 -0.44 1.68 -7.23 -1.26 -5.07 120.40 111.45 1qwv s VAL 134 Ca 0.00 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1qwv s VAL 134 Cb -0.14 -2.29 0.11 0.00 0.56 0.00 0.00 36.38 34.62 1qwv s VAL 134 CO -0.05 0.03 0.27 -0.63 -0.31 0.00 0.00 175.10 174.41 1qwv s ILE 135 N 1.14 3.79 -0.88 -0.62 -1.09 -1.26 -5.03 121.20 117.25 1qwv s ILE 135 Ca -0.07 -1.87 -0.24 0.00 -2.23 0.00 0.00 60.65 56.24 1qwv s ILE 135 Cb -0.19 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1qwv s ILE 135 CO -0.05 -0.70 1.34 -0.83 -1.23 0.00 0.00 174.94 173.46 1qwv s GLY 136 N 2.24 1.15 0.43 6.18 0.00 -1.26 -5.00 107.32 111.06 1qwv s GLY 136 Ca 0.06 -1.91 -0.22 0.00 0.00 0.00 0.00 44.72 42.65 1qwv s GLY 136 CO -0.02 2.60 1.02 -1.83 0.00 0.00 0.00 173.10 174.88 1qwv s GLU 137 N 5.11 4.06 -0.12 2.90 4.04 -1.26 -5.05 118.70 128.38 1qwv s GLU 137 Ca 0.40 1.38 0.02 0.00 0.04 0.00 0.00 54.97 56.81 1qwv s GLU 137 Cb -0.04 -2.33 0.01 0.00 0.02 0.00 0.00 34.13 31.79 1qwv s GLU 137 CO 0.01 -0.21 -0.18 0.08 -1.84 0.00 0.00 175.26 173.12 1qwv s VAL 138 N -1.86 1.72 -0.21 1.83 1.01 -1.26 -5.10 120.40 116.53 1qwv s VAL 138 Ca 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1qwv s VAL 138 Cb -0.18 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1qwv s VAL 138 CO 0.22 0.48 -0.06 -0.22 0.00 0.00 0.00 175.10 175.53 1qwv s LEU 139 N 0.91 2.23 0.00 3.92 2.96 -1.26 -5.11 118.68 122.33 1qwv s LEU 139 Ca -0.07 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1qwv s LEU 139 Cb -0.15 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.44 1qwv s LEU 139 CO -0.02 -0.21 0.00 0.00 -1.32 0.00 0.00 176.35 174.81 1qwv n ALA 140 N 4.74 0.00 -2.60 5.97 0.00 -1.26 -5.15 120.51 122.20 1qwv n ALA 140 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1qwv n ALA 140 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1qwv n ALA 140 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qwv s GLU 141 N -0.97 2.30 0.00 0.00 1.03 -1.26 -5.37 118.70 114.43 1qwv s GLU 141 Ca 0.00 -0.93 0.06 0.00 0.03 0.00 0.00 54.97 54.13 1qwv s GLU 141 Cb 0.00 -2.39 0.04 0.00 -0.80 0.00 0.00 34.13 30.98 1qwv s GLU 141 CO 0.00 0.53 0.68 0.28 -1.33 0.00 0.00 175.26 175.42