#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 1.19 -0.03 1.43 -0.04 -1.26 -4.49 135.00 131.80 1qwv n PRO 2 Ca 0.00 -0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 62.91 1qwv n PRO 2 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 1qwv n PRO 2 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qwv h GLU 3 N 1.28 -0.06 -0.00 0.54 3.07 -1.93 -1.79 114.58 115.68 1qwv h GLU 3 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qwv h GLU 3 Cb 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1qwv h GLU 3 CO 0.00 -0.04 -0.15 1.51 -1.40 0.00 0.00 179.01 178.93 1qwv n ILE 4 N -3.24 0.00 0.24 3.13 3.06 -1.26 -3.10 119.36 118.19 1qwv n ILE 4 Ca -0.01 -0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.34 1qwv n ILE 4 Cb 0.06 -0.26 0.58 0.00 0.54 0.00 0.00 39.64 40.56 1qwv n ILE 4 CO 0.00 0.00 0.00 0.24 -2.50 0.00 0.00 176.55 174.29 1qwv h MET 5 N 0.03 0.00 -4.99 9.51 2.86 -1.57 -3.31 114.93 117.46 1qwv h MET 5 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1qwv h MET 5 Cb 0.49 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.97 1qwv h MET 5 CO 0.00 0.20 0.19 0.15 1.06 0.00 0.00 176.91 178.51 1qwv s LYS 6 N -4.11 3.10 0.18 1.72 1.02 -0.87 -5.04 119.74 115.74 1qwv s LYS 6 Ca -0.02 -1.01 -0.32 0.00 0.02 0.00 0.00 55.97 54.64 1qwv s LYS 6 Cb 0.13 -4.18 -0.11 0.00 -0.52 0.00 0.00 37.83 33.15 1qwv s LYS 6 CO 0.63 -1.46 1.62 1.21 -0.92 0.00 0.00 175.35 176.43 1qwv s ASN 7 N 3.23 6.52 0.11 2.83 3.84 -1.25 -4.91 114.94 125.31 1qwv s ASN 7 Ca 0.16 2.70 -0.17 0.00 0.21 0.00 0.00 52.86 55.76 1qwv s ASN 7 Cb -0.20 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.86 1qwv s ASN 7 CO 0.10 -0.87 1.59 -0.07 -2.79 0.00 0.00 177.10 175.05 1qwv h LEU 8 N 6.78 0.54 -0.92 3.21 3.38 -1.89 -1.37 115.31 125.04 1qwv h LEU 8 Ca -0.43 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1qwv h LEU 8 Cb 1.20 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1qwv h LEU 8 CO 0.93 0.66 0.58 0.28 0.09 0.00 0.00 178.44 180.98 1qwv h SER 9 N 0.39 1.09 1.25 -0.43 0.02 -1.91 0.22 113.55 114.18 1qwv h SER 9 Ca 0.10 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1qwv h SER 9 Cb 0.35 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1qwv h SER 9 CO 0.01 0.81 -0.34 0.78 -1.14 0.00 0.00 176.83 176.95 1qwv h ASN 10 N 1.26 0.00 0.03 3.07 4.21 -1.88 -2.18 115.58 120.09 1qwv h ASN 10 Ca 0.33 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.84 1qwv h ASN 10 Cb -0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1qwv h ASN 10 CO -0.07 0.34 -0.01 -1.13 -1.29 0.00 0.00 177.43 175.27 1qwv h ASN 11 N 0.00 -0.03 0.00 5.81 -0.00 -0.06 -3.37 115.58 117.93 1qwv h ASN 11 Ca -0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 56.30 55.68 1qwv h ASN 11 Cb 1.05 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 1qwv h ASN 11 CO 0.04 0.62 0.00 0.49 -0.00 0.00 0.00 177.43 178.59 1qwv n PHE 12 N -4.79 0.00 -3.65 0.67 3.01 0.66 -4.89 117.46 108.46 1qwv n PHE 12 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.10 1qwv n PHE 12 Cb 0.32 -0.10 0.03 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.80 -0.51 0.25 1.37 0.00 -0.82 -4.88 105.19 99.80 1qwv n GLY 13 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1qwv n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qwv h LYS 14 N -1.88 0.69 -1.98 1.61 1.57 -1.90 -3.41 116.57 111.27 1qwv h LYS 14 Ca -0.55 -0.29 -0.26 0.00 -1.87 0.00 0.00 60.65 57.68 1qwv h LYS 14 Cb 1.36 -0.02 -0.31 0.00 0.08 0.00 0.00 32.23 33.33 1qwv h LYS 14 CO 0.62 0.88 -0.58 0.00 -0.57 0.00 0.00 179.45 179.80 1qwv s ALA 15 N -4.50 -0.79 0.24 3.86 0.00 -1.26 -5.00 121.76 114.31 1qwv s ALA 15 Ca -0.09 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1qwv s ALA 15 Cb 0.13 -1.87 0.27 0.00 0.00 0.00 0.00 23.12 21.65 1qwv s ALA 15 CO 0.83 -1.66 1.60 1.98 0.00 0.00 0.00 175.76 178.51 1qwv h MET 16 N 8.22 0.41 -0.96 0.00 4.05 -2.00 -3.22 114.93 121.43 1qwv h MET 16 Ca -0.12 -0.23 0.15 0.00 -0.28 0.00 0.00 59.70 59.22 1qwv h MET 16 Cb 1.10 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.83 1qwv h MET 16 CO 0.30 0.80 0.61 0.22 0.23 0.00 0.00 176.91 179.07 1qwv h ASP 17 N 0.33 0.77 0.82 1.39 3.58 -1.98 0.21 116.42 121.54 1qwv h ASP 17 Ca 0.02 0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.36 1qwv h ASP 17 Cb 0.96 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 1qwv h ASP 17 CO 0.08 0.36 -1.28 1.56 -2.88 0.00 0.00 179.24 177.09 1qwv h GLN 18 N 0.80 0.00 -0.01 0.28 4.20 -1.99 -2.18 115.11 116.20 1qwv h GLN 18 Ca 0.50 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 59.00 1qwv h GLN 18 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1qwv h GLN 18 CO -0.27 0.35 -0.90 0.00 -0.67 0.00 0.00 178.83 177.34 1qwv h LYS 20 N 0.23 0.25 0.13 0.00 3.11 -0.58 -2.54 116.57 117.18 1qwv h LYS 20 Ca -0.07 -0.04 -0.29 0.00 -2.81 0.00 0.00 60.65 57.45 1qwv h LYS 20 Cb 1.53 -0.04 0.02 0.00 -1.00 0.00 0.00 32.23 32.73 1qwv h LYS 20 CO 0.16 0.30 -1.24 0.22 -2.81 0.00 0.00 179.45 176.08 1qwv h ASP 21 N 0.14 0.64 -0.78 4.20 3.58 -1.47 -0.08 116.42 122.65 1qwv h ASP 21 Ca 0.06 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 56.86 1qwv h ASP 21 Cb 0.14 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1qwv h ASP 21 CO -0.01 1.47 0.44 -0.08 -2.88 0.00 0.00 179.24 178.18 1qwv h GLU 22 N 0.17 1.09 0.00 0.28 4.57 -1.38 -0.22 114.58 119.08 1qwv h GLU 22 Ca -0.16 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 57.85 1qwv h GLU 22 Cb 1.93 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1qwv h GLU 22 CO 0.22 0.80 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.54 1qwv h LEU 23 N 1.08 0.00 -1.73 1.64 -0.00 -1.52 -3.48 115.31 111.30 1qwv h LEU 23 Ca 0.28 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.81 1qwv h LEU 23 Cb 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 40.82 1qwv h LEU 23 CO -0.05 0.24 -0.79 -1.20 -0.00 0.00 0.00 178.44 176.64 1qwv n SER 24 N -3.18 -2.06 -4.67 -0.43 7.64 -0.10 -4.88 113.62 105.95 1qwv n SER 24 Ca 0.03 -0.68 -0.42 0.00 1.01 0.00 0.00 58.87 58.81 1qwv n SER 24 Cb 0.61 -4.86 -0.03 0.00 -1.01 0.00 0.00 64.21 58.92 1qwv n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwv s LEU 25 N -6.39 4.33 0.61 -3.43 1.43 -0.22 -5.00 118.68 110.02 1qwv s LEU 25 Ca 0.02 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 1qwv s LEU 25 Cb -0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1qwv s LEU 25 CO 0.75 -0.90 1.07 -2.84 0.23 0.00 0.00 176.35 174.66 1qwv s PRO 26 N 3.62 3.20 0.56 1.29 0.02 -1.26 -4.88 135.00 137.56 1qwv s PRO 26 Ca 0.73 1.24 0.31 0.00 0.02 0.00 0.00 61.00 63.31 1qwv s PRO 26 Cb -0.35 -2.01 1.69 0.00 0.02 0.00 0.00 34.50 33.85 1qwv s PRO 26 CO 0.30 -0.91 2.15 0.38 -0.33 0.00 0.00 177.00 178.60 1qwv h ASP 27 N 0.34 0.00 -0.55 2.53 2.03 -1.99 -0.16 116.42 118.62 1qwv h ASP 27 Ca -0.47 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.74 1qwv h ASP 27 Cb 1.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.70 1qwv h ASP 27 CO 0.57 0.06 0.01 0.28 -1.03 0.00 0.00 179.24 179.13 1qwv h SER 28 N 0.00 0.97 0.09 4.15 0.02 -1.99 -1.87 113.55 114.91 1qwv h SER 28 Ca -0.00 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1qwv h SER 28 Cb 0.23 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1qwv h SER 28 CO 0.01 1.02 -0.04 0.58 -1.14 0.00 0.00 176.83 177.26 1qwv h VAL 29 N 0.92 1.17 -0.27 2.27 2.07 -1.42 -2.66 116.25 118.32 1qwv h VAL 29 Ca 0.17 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1qwv h VAL 29 Cb 0.52 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1qwv h VAL 29 CO 0.03 0.26 0.19 -0.37 0.02 0.00 0.00 177.57 177.70 1qwv h VAL 30 N -0.64 0.90 0.17 2.57 -1.51 -1.43 0.58 116.25 116.88 1qwv h VAL 30 Ca -0.01 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 1qwv h VAL 30 Cb 0.52 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1qwv h VAL 30 CO 0.02 0.01 -0.08 0.00 -1.23 0.00 0.00 177.57 176.29 1qwv h ALA 31 N 1.86 -0.23 -0.08 5.19 0.00 -1.21 -1.75 119.26 123.03 1qwv h ALA 31 Ca 0.13 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1qwv h ALA 31 Cb 0.43 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qwv h ALA 31 CO -0.01 -0.51 -0.76 -0.44 0.00 0.00 0.00 179.25 177.54 1qwv h ASP 32 N -0.47 0.54 -0.18 0.00 5.19 -1.05 -3.28 116.42 117.16 1qwv h ASP 32 Ca -0.02 -0.36 0.05 0.00 -0.62 0.00 0.00 57.03 56.07 1qwv h ASP 32 Cb 0.37 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.65 1qwv h ASP 32 CO 0.04 1.12 -0.35 0.25 -3.12 0.00 0.00 179.24 177.18 1qwv h LEU 33 N 0.30 -1.10 -0.15 1.55 5.85 0.16 -2.26 115.31 119.68 1qwv h LEU 33 Ca -0.04 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1qwv h LEU 33 Cb 1.34 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1qwv h LEU 33 CO 0.13 -0.37 0.00 -1.22 -0.34 0.00 0.00 178.44 176.64 1qwv n TYR 34 N -5.42 0.00 -1.59 1.25 4.02 -0.66 -4.83 117.16 109.93 1qwv n TYR 34 Ca -0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.42 1qwv n TYR 34 Cb 0.34 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.61 1qwv n TYR 34 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1qwv n ASN 35 N -0.42 3.24 0.17 7.72 5.15 -0.85 -4.82 115.26 125.44 1qwv n ASN 35 Ca 0.00 0.32 0.13 0.00 -0.60 0.00 0.00 54.58 54.42 1qwv n ASN 35 Cb 0.03 -1.52 0.32 0.00 -0.53 0.00 0.00 39.78 38.08 1qwv n ASN 35 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1qwv h PHE 36 N 14.19 0.00 -3.44 1.20 3.57 -1.91 -3.43 116.94 127.12 1qwv h PHE 36 Ca -0.41 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.50 1qwv h PHE 36 Cb 1.25 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 1qwv h PHE 36 CO 0.94 0.00 -0.01 -1.58 -2.23 0.00 0.00 178.31 175.43 1qwv s TRP 37 N -3.19 3.39 -1.23 0.41 0.51 -1.26 -4.96 118.94 112.62 1qwv s TRP 37 Ca 0.08 0.83 -0.13 0.00 -2.12 0.00 0.00 56.10 54.76 1qwv s TRP 37 Cb 0.09 -2.69 -0.06 0.00 -0.81 0.00 0.00 33.47 30.00 1qwv s TRP 37 CO 0.62 -0.09 2.31 1.63 -0.51 0.00 0.00 176.95 180.91 1qwv n LYS 38 N 4.71 2.59 0.31 4.98 5.02 -1.26 -4.74 118.16 129.77 1qwv n LYS 38 Ca -0.04 -2.09 0.16 0.00 -2.02 0.00 0.00 58.31 54.32 1qwv n LYS 38 Cb 0.50 -2.91 0.83 0.00 -0.02 0.00 0.00 35.03 33.44 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1qwv h ASP 39 N 6.26 0.00 -5.05 4.39 3.58 -1.93 -3.46 116.42 120.20 1qwv h ASP 39 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.05 1qwv h ASP 39 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1qwv h ASP 39 CO 1.79 0.00 -0.03 -0.67 -2.88 0.00 0.00 179.24 177.45 1qwv n ASP 40 N -2.79 -7.05 -4.67 2.28 2.03 -1.26 -5.06 116.55 100.02 1qwv n ASP 40 Ca -0.02 -0.03 -0.24 0.00 0.52 0.00 0.00 54.79 55.02 1qwv n ASP 40 Cb 0.29 -4.76 -0.08 0.00 -0.72 0.00 0.00 41.12 35.86 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 -2.96 2.60 -0.30 -0.67 -0.85 -1.26 -5.10 117.35 108.80 1qwv s TYR 41 Ca 0.01 -0.45 -0.23 0.00 -0.52 0.00 0.00 57.07 55.88 1qwv s TYR 41 Cb -0.00 -1.60 -0.00 0.00 0.38 0.00 0.00 41.96 40.73 1qwv s TYR 41 CO 0.65 0.40 0.76 0.08 -1.52 0.00 0.00 175.55 175.92 1qwv s VAL 42 N -2.51 4.82 -0.63 -3.49 1.01 -1.26 -5.00 120.40 113.35 1qwv s VAL 42 Ca 0.36 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 1qwv s VAL 42 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1qwv s VAL 42 CO 0.21 -0.22 1.53 -0.32 0.00 0.00 0.00 175.10 176.29 1qwv s MET 43 N 2.88 3.05 -0.01 2.72 1.75 -1.26 -4.79 119.30 123.64 1qwv s MET 43 Ca 0.31 0.32 0.14 0.00 -1.25 0.00 0.00 55.69 55.21 1qwv s MET 43 Cb -0.14 -4.23 -0.19 0.00 2.84 0.00 0.00 34.83 33.11 1qwv s MET 43 CO 0.12 -2.26 0.39 0.25 -0.65 0.00 0.00 175.02 172.88 1qwv n THR 44 N 6.84 0.00 -2.61 10.11 -2.24 -1.26 -4.95 114.28 120.17 1qwv n THR 44 Ca 0.12 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1qwv n THR 44 Cb 0.50 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1qwv n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qwv s ASP 45 N -3.14 7.29 0.39 3.42 -1.08 -1.26 -4.92 116.67 117.36 1qwv s ASP 45 Ca -0.02 1.81 0.18 0.00 -0.52 0.00 0.00 52.55 54.00 1qwv s ASP 45 Cb 0.09 -2.58 0.78 0.00 -1.46 0.00 0.00 42.92 39.76 1qwv s ASP 45 CO 0.56 -0.30 1.80 0.03 0.52 0.00 0.00 175.17 177.78 1qwv h ARG 46 N 6.54 0.00 0.00 4.34 -0.00 -1.95 -2.48 114.38 120.83 1qwv h ARG 46 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 1qwv h ARG 46 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1qwv h ARG 46 CO 0.76 0.35 -0.03 -0.07 0.00 0.00 0.00 179.97 180.98 1qwv h LEU 47 N 0.00 0.00 0.00 3.04 -0.00 -1.97 -2.76 115.31 113.62 1qwv h LEU 47 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1qwv h LEU 47 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1qwv h LEU 47 CO 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 178.44 178.43 1qwv h ALA 48 N 2.43 0.00 -0.90 1.53 0.00 -1.83 -1.52 119.26 118.97 1qwv h ALA 48 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1qwv h ALA 48 Cb 0.79 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1qwv h ALA 48 CO 0.00 0.06 -0.06 0.41 0.00 0.00 0.00 179.25 179.66 1qwv n GLY 49 N 1.78 -1.32 0.21 0.00 0.00 -1.20 -1.20 105.19 103.45 1qwv n GLY 49 Ca -0.01 0.91 -0.14 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.52 1.90 0.10 0.00 0.00 -0.34 -2.17 120.51 117.49 1qwv n ALA 51 Ca -0.05 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.46 1qwv n ALA 51 Cb 0.52 -1.27 0.66 0.00 0.00 0.00 0.00 19.45 19.36 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 0.86 -2.08 0.00 1.08 -1.17 -3.35 117.51 112.84 1qwv h ILE 52 Ca 0.00 -0.01 -0.45 0.00 -0.39 0.00 0.00 64.86 64.01 1qwv h ILE 52 Cb 0.18 0.83 -0.33 0.00 -3.07 0.00 0.00 36.82 34.42 1qwv h ILE 52 CO 0.00 0.00 -0.78 0.54 -0.69 0.00 0.00 178.15 177.22 1qwv s ASN 53 N -6.58 1.29 -0.10 1.72 6.03 -0.92 -4.61 114.94 111.78 1qwv s ASN 53 Ca -0.05 -2.15 -0.04 0.00 -1.03 0.00 0.00 52.86 49.59 1qwv s ASN 53 Cb 0.19 0.24 -0.05 0.00 -3.03 0.00 0.00 41.25 38.60 1qwv s ASN 53 CO 0.71 -0.22 -0.12 0.00 -2.03 0.00 0.00 177.10 175.44 1qwv h LEU 55 N -0.29 -0.49 0.00 0.00 5.85 -1.94 -2.26 115.31 116.19 1qwv h LEU 55 Ca -0.25 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1qwv h LEU 55 Cb 1.25 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1qwv h LEU 55 CO -0.13 -0.18 -0.09 0.00 -0.34 0.00 0.00 178.44 177.70 1qwv n ALA 56 N -2.48 2.40 0.06 1.25 0.00 -1.26 -2.24 120.51 118.25 1qwv n ALA 56 Ca -0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1qwv n ALA 56 Cb 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1qwv n ALA 56 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qwv h THR 57 N 0.00 1.40 0.00 0.00 2.02 -1.76 -1.95 112.91 112.61 1qwv h THR 57 Ca 0.00 -2.30 -0.10 0.00 0.77 0.00 0.00 66.41 64.78 1qwv h THR 57 Cb 0.69 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1qwv h THR 57 CO 0.00 0.69 -0.57 0.11 0.37 0.00 0.00 175.52 176.11 1qwv h LYS 58 N 0.23 0.00 0.64 6.66 1.79 -1.20 -3.34 116.57 121.35 1qwv h LYS 58 Ca -0.05 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1qwv h LYS 58 Cb 1.41 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.07 1qwv h LYS 58 CO 0.14 0.44 -0.31 -0.07 -1.08 0.00 0.00 179.45 178.57 1qwv h LEU 59 N 0.00 -0.72 -6.07 2.94 3.38 -1.33 -3.47 115.31 110.04 1qwv h LEU 59 Ca -0.02 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1qwv h LEU 59 Cb 1.38 0.19 -0.22 0.00 0.09 0.00 0.00 40.66 42.09 1qwv h LEU 59 CO 0.06 -0.42 0.24 -0.62 0.09 0.00 0.00 178.44 177.79 1qwv s ASP 60 N -3.97 -0.32 -0.04 -0.43 2.15 -0.75 -5.04 116.67 108.26 1qwv s ASP 60 Ca -0.12 0.26 0.01 0.00 0.43 0.00 0.00 52.55 53.13 1qwv s ASP 60 Cb 0.01 1.30 0.04 0.00 -0.30 0.00 0.00 42.92 43.97 1qwv s ASP 60 CO 0.37 -0.06 0.60 0.55 -0.17 0.00 0.00 175.17 176.47 1qwv n VAL 61 N 5.27 0.00 -3.75 1.11 3.14 -1.26 -4.77 118.33 118.07 1qwv n VAL 61 Ca -0.08 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 1qwv n VAL 61 Cb 0.54 0.35 -0.12 0.00 -1.06 0.00 0.00 33.84 33.55 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 4.46 -0.07 1.55 -7.23 -1.26 -4.15 120.40 113.71 1qwv s VAL 62 Ca 0.01 -0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.89 1qwv s VAL 62 Cb 0.05 -3.09 -0.13 0.00 0.56 0.00 0.00 36.38 33.77 1qwv s VAL 62 CO -0.01 0.33 0.65 -0.78 -0.31 0.00 0.00 175.10 174.97 1qwv h ASP 63 N 8.18 -0.15 0.00 4.85 1.82 -1.88 -3.49 116.42 125.76 1qwv h ASP 63 Ca -0.38 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 55.92 1qwv h ASP 63 Cb 1.18 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1qwv h ASP 63 CO 0.58 0.45 0.00 -0.81 -1.61 0.00 0.00 179.24 177.85 1qwv n PRO 64 N -4.87 3.38 0.00 0.28 -0.05 -1.26 -4.92 135.00 127.57 1qwv n PRO 64 Ca -0.06 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.48 1qwv n PRO 64 Cb 0.24 0.00 0.55 0.00 -0.05 0.00 0.00 33.50 34.24 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 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1qwv n ASP 65 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.24 1.68 3.80 0.27 0.00 -1.26 -5.12 105.19 104.80 1qwv n GLY 66 Ca 0.13 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 6.41 -0.78 1.61 4.22 -1.26 -4.11 114.94 121.03 1qwv s ASN 67 Ca 0.00 1.92 -0.04 0.00 -2.14 0.00 0.00 52.86 52.60 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 -0.73 0.49 0.18 -2.04 0.00 0.00 177.10 175.00 1qwv n LEU 68 N -0.88 -2.47 -4.58 3.54 7.99 -1.26 -4.59 117.00 114.75 1qwv n LEU 68 Ca 0.09 -0.22 -0.32 0.00 -0.01 0.00 0.00 56.01 55.54 1qwv n LEU 68 Cb 0.52 -1.85 -0.04 0.00 -0.11 0.00 0.00 43.42 41.94 1qwv n LEU 68 CO 0.40 0.24 1.62 -1.38 -1.51 0.00 0.00 177.39 176.76 1qwv s HIS 69 N -3.03 2.17 -0.13 -1.77 -3.43 -1.26 -4.70 115.29 103.15 1qwv s HIS 69 Ca 0.24 -0.10 -0.07 0.00 -0.80 0.00 0.00 55.06 54.34 1qwv s HIS 69 Cb -0.11 -4.21 -0.03 0.00 -1.43 0.00 0.00 32.58 26.81 1qwv s HIS 69 CO 0.30 -1.39 -0.12 1.12 -2.00 0.00 0.00 174.74 172.65 1qwv h HIS 70 N 9.21 0.00 0.57 0.38 2.07 -1.91 -3.37 115.15 122.11 1qwv h HIS 70 Ca 0.27 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.77 1qwv h HIS 70 Cb 0.92 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.91 1qwv h HIS 70 CO 1.27 0.02 -0.27 0.78 -3.07 0.00 0.00 177.93 176.66 1qwv h GLY 71 N -1.00 -0.80 1.63 6.13 0.00 -1.96 -2.24 103.07 104.83 1qwv h GLY 71 Ca -0.00 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.66 1qwv h GLY 71 CO -0.00 -0.29 0.15 -0.57 0.00 0.00 0.00 176.54 175.83 1qwv h ASN 72 N -0.86 0.00 0.22 0.19 -1.24 -1.89 0.40 115.58 112.41 1qwv h ASN 72 Ca -0.08 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.73 1qwv h ASN 72 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1qwv h ASN 72 CO 0.13 0.00 -0.82 0.00 -1.29 0.00 0.00 177.43 175.45 1qwv h ALA 73 N 1.81 0.46 0.08 1.57 0.00 -1.66 0.11 119.26 121.62 1qwv h ALA 73 Ca 0.06 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.07 1qwv h ALA 73 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qwv h ALA 73 CO -0.00 0.77 -1.14 0.87 0.00 0.00 0.00 179.25 179.75 1qwv h LYS 74 N 0.30 0.21 -0.49 0.00 1.79 -0.45 -2.39 116.57 115.54 1qwv h LYS 74 Ca -0.05 -0.33 -0.07 0.00 -2.18 0.00 0.00 60.65 58.02 1qwv h LYS 74 Cb 1.42 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.17 1qwv h LYS 74 CO 0.15 1.14 0.04 0.22 -1.08 0.00 0.00 179.45 179.91 1qwv h ASP 75 N 0.07 0.74 -0.80 0.86 3.58 -1.01 -1.49 116.42 118.38 1qwv h ASP 75 Ca -0.09 -0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.26 1qwv h ASP 75 Cb 1.87 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 42.67 1qwv h ASP 75 CO 0.18 0.79 0.52 0.15 -2.88 0.00 0.00 179.24 178.00 1qwv h PHE 76 N 0.74 0.86 -0.26 0.28 3.57 -0.57 -0.17 116.94 121.39 1qwv h PHE 76 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 1qwv h PHE 76 Cb 0.40 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1qwv h PHE 76 CO 0.02 0.44 -0.44 0.00 -2.23 0.00 0.00 178.31 176.11 1qwv h ALA 77 N 1.57 0.75 -0.36 2.41 0.00 -0.87 -2.80 119.26 119.97 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 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1qwv h ALA 77 CO -0.12 0.66 -0.17 0.52 0.00 0.00 0.00 179.25 180.14 1qwv h MET 78 N 0.52 0.66 0.00 0.00 2.86 -0.08 -0.59 114.93 118.31 1qwv h MET 78 Ca 0.04 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1qwv h MET 78 Cb 0.97 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1qwv h MET 78 CO 0.09 0.80 -0.57 1.63 1.06 0.00 0.00 176.91 179.92 1qwv n LYS 79 N -4.15 0.29 -3.54 1.72 4.76 -0.45 -4.56 118.16 112.23 1qwv n LYS 79 Ca 0.01 0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.25 1qwv n LYS 79 Cb 0.38 -1.70 -0.12 0.00 -1.84 0.00 0.00 35.03 31.75 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1qwv s HIS 80 N -3.16 1.13 0.00 2.13 3.76 -1.00 -4.95 115.29 113.20 1qwv s HIS 80 Ca 0.07 -1.90 0.00 0.00 -0.15 0.00 0.00 55.06 53.08 1qwv s HIS 80 Cb 0.13 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.60 1qwv s HIS 80 CO 0.71 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1qwv n GLY 81 N 3.84 2.66 3.72 -2.22 0.00 -1.23 -4.61 105.19 107.35 1qwv n GLY 81 Ca 0.12 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 3.20 0.47 4.61 0.00 -0.26 -4.52 121.76 125.26 1qwv s ALA 82 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 1qwv s ALA 82 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1qwv s ALA 82 CO 0.00 -0.14 1.04 -0.51 0.00 0.00 0.00 175.76 176.15 1qwv s ASP 83 N 0.54 6.40 0.44 0.00 1.01 -1.26 -4.19 116.67 119.61 1qwv s ASP 83 Ca 0.50 1.94 0.15 0.00 0.71 0.00 0.00 52.55 55.85 1qwv s ASP 83 Cb -0.22 -2.56 1.05 0.00 1.01 0.00 0.00 42.92 42.20 1qwv s ASP 83 CO 0.29 -0.74 1.97 -0.08 0.21 0.00 0.00 175.17 176.82 1qwv h GLU 84 N 1.70 0.37 0.00 8.23 4.57 -1.95 0.46 114.58 127.96 1qwv h GLU 84 Ca -0.49 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 1qwv h GLU 84 Cb 1.22 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1qwv h GLU 84 CO 0.59 0.25 -0.46 0.00 -1.18 0.00 0.00 179.01 178.21 1qwv h THR 85 N 0.39 0.97 0.15 0.32 1.03 -1.98 -1.97 112.91 111.82 1qwv h THR 85 Ca 0.29 -1.84 -0.34 0.00 -0.01 0.00 0.00 66.41 64.51 1qwv h THR 85 Cb 0.61 2.11 -0.00 0.00 -1.07 0.00 0.00 68.15 69.80 1qwv h THR 85 CO -0.08 0.45 -1.75 0.24 -0.01 0.00 0.00 175.52 174.37 1qwv h MET 86 N 0.00 0.32 -0.57 0.00 2.86 -0.59 -1.83 114.93 115.12 1qwv h MET 86 Ca -0.00 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1qwv h MET 86 Cb 1.07 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1qwv h MET 86 CO 0.06 1.21 0.20 0.00 1.06 0.00 0.00 176.91 179.44 1qwv h ALA 87 N 0.24 0.75 0.00 6.32 0.00 -0.84 -0.55 119.26 125.18 1qwv h ALA 87 Ca -0.33 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1qwv h ALA 87 Cb 2.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1qwv h ALA 87 CO 0.15 0.39 -0.44 1.96 0.00 0.00 0.00 179.25 181.32 1qwv h GLN 88 N 0.80 0.00 0.00 0.00 7.50 -1.40 0.26 115.11 122.27 1qwv h GLN 88 Ca 0.19 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.26 1qwv h GLN 88 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1qwv h GLN 88 CO -0.01 0.44 -0.37 1.96 -1.50 0.00 0.00 178.83 179.35 1qwv h GLN 89 N 0.00 0.00 0.03 1.46 7.50 -1.16 -3.30 115.11 119.64 1qwv h GLN 89 Ca -0.00 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.96 1qwv h GLN 89 Cb 1.12 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.63 1qwv h GLN 89 CO 0.06 0.37 -1.01 1.25 -1.50 0.00 0.00 178.83 177.99 1qwv h LEU 90 N 0.00 0.11 -1.37 1.46 5.85 -0.44 -3.37 115.31 117.54 1qwv h LEU 90 Ca -0.00 -0.72 0.06 0.00 0.84 0.00 0.00 57.88 58.05 1qwv h LEU 90 Cb 1.23 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1qwv h LEU 90 CO 0.05 1.41 0.48 -0.37 -0.34 0.00 0.00 178.44 179.67 1qwv h VAL 91 N -0.80 1.03 -0.60 1.05 -1.51 -0.65 -1.13 116.25 113.63 1qwv h VAL 91 Ca -0.26 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.90 1qwv h VAL 91 Cb 1.36 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 1qwv h VAL 91 CO -0.09 0.14 0.19 -0.78 -1.23 0.00 0.00 177.57 175.80 1qwv h ASP 92 N 0.77 0.87 -0.49 4.19 3.58 -1.75 -1.56 116.42 122.03 1qwv h ASP 92 Ca 0.31 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 1qwv h ASP 92 Cb 0.24 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1qwv h ASP 92 CO -0.10 0.85 0.03 0.40 -2.88 0.00 0.00 179.24 177.54 1qwv h ILE 93 N 0.85 1.26 -0.43 2.25 1.08 -1.49 -1.72 117.51 119.31 1qwv h ILE 93 Ca 0.19 -1.01 0.06 0.00 -0.39 0.00 0.00 64.86 63.71 1qwv h ILE 93 Cb 0.29 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1qwv h ILE 93 CO -0.01 0.36 0.12 0.40 -0.69 0.00 0.00 178.15 178.33 1qwv h ILE 94 N 0.71 0.82 -0.16 -0.67 2.04 -0.67 0.81 117.51 120.40 1qwv h ILE 94 Ca 0.14 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 1qwv h ILE 94 Cb 0.46 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1qwv h ILE 94 CO 0.02 0.05 -0.47 0.45 0.00 0.00 0.00 178.15 178.20 1qwv h HIS 95 N 0.27 0.49 0.13 1.37 3.86 -1.24 -2.26 115.15 117.76 1qwv h HIS 95 Ca 0.21 -0.15 -0.24 0.00 -1.16 0.00 0.00 60.37 59.02 1qwv h HIS 95 Cb 0.22 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.60 1qwv h HIS 95 CO -0.18 0.80 -1.17 0.78 0.86 0.00 0.00 177.93 179.02 1qwv h GLY 96 N 1.19 0.31 1.63 2.45 0.00 -0.37 -2.17 103.07 106.11 1qwv h GLY 96 Ca 0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 47.33 46.40 1qwv h GLY 96 CO 0.08 0.69 -0.65 0.00 0.00 0.00 0.00 176.54 176.65 1qwv h GLU 98 N 0.27 0.87 -0.44 0.00 5.08 -1.52 0.23 114.58 119.07 1qwv h GLU 98 Ca -0.01 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1qwv h GLU 98 Cb 1.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1qwv h GLU 98 CO 0.11 0.82 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.61 1qwv h LYS 99 N 0.83 0.85 -0.61 2.33 1.63 -1.00 -2.99 116.57 117.60 1qwv h LYS 99 Ca 0.17 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1qwv h LYS 99 Cb 0.38 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1qwv h LYS 99 CO 0.01 0.95 0.00 0.43 -3.45 0.00 0.00 179.45 177.39 1qwv n SER 100 N -4.28 3.63 -4.83 4.20 7.64 0.65 -4.92 113.62 115.71 1qwv n SER 100 Ca -0.00 -2.30 -0.33 0.00 1.01 0.00 0.00 58.87 57.24 1qwv n SER 100 Cb 0.37 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -1.73 3.08 0.75 -0.43 0.00 0.79 -4.98 121.76 119.25 1qwv s ALA 101 Ca 0.38 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1qwv s ALA 101 Cb 0.24 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.31 1qwv s ALA 101 CO 0.19 0.12 1.08 -2.14 0.00 0.00 0.00 175.76 175.02 1qwv s PRO 102 N -3.24 2.41 -0.99 0.00 0.02 -1.26 -4.87 135.00 127.07 1qwv s PRO 102 Ca 0.61 1.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.50 1qwv s PRO 102 Cb -0.09 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.37 1qwv s PRO 102 CO 0.15 -1.52 2.13 -2.14 -0.33 0.00 0.00 177.00 175.29 1qwv s PRO 103 N -4.92 1.82 -0.24 5.54 0.02 -1.26 -4.86 135.00 131.09 1qwv s PRO 103 Ca 0.61 -0.31 0.01 0.00 0.02 0.00 0.00 61.00 61.32 1qwv s PRO 103 Cb -0.16 -5.00 0.06 0.00 0.02 0.00 0.00 34.50 29.42 1qwv s PRO 103 CO 0.56 -4.52 -0.03 1.21 -0.33 0.00 0.00 177.00 173.89 1qwv s ASN 104 N 8.65 3.86 -0.06 2.53 2.47 -1.26 -5.02 114.94 126.10 1qwv s ASN 104 Ca 0.80 -1.24 0.01 0.00 0.42 0.00 0.00 52.86 52.85 1qwv s ASN 104 Cb -0.07 -1.15 0.12 0.00 -1.45 0.00 0.00 41.25 38.71 1qwv s ASN 104 CO 0.11 -0.26 1.01 -0.90 -3.72 0.00 0.00 177.10 173.34 1qwv n ASP 105 N 4.68 2.69 -4.49 -4.21 5.75 -1.26 -4.82 116.55 114.89 1qwv n ASP 105 Ca -0.10 -2.23 -0.43 0.00 -0.01 0.00 0.00 54.79 52.01 1qwv n ASP 105 Cb 0.44 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 1qwv n ASP 105 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1qwv s ASP 106 N 0.37 6.28 0.00 -1.12 1.47 -1.26 -4.96 116.67 117.44 1qwv s ASP 106 Ca 0.09 -0.62 0.00 0.00 1.18 0.00 0.00 52.55 53.20 1qwv s ASP 106 Cb 0.08 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1qwv s ASP 106 CO 0.02 -1.10 0.32 1.17 0.68 0.00 0.00 175.17 176.26 1qwv n LYS 107 N 6.94 0.00 0.00 2.11 4.81 -1.26 -1.49 118.16 129.27 1qwv n LYS 107 Ca -0.02 0.32 0.13 0.00 -0.87 0.00 0.00 58.31 57.87 1qwv n LYS 107 Cb 0.46 -0.55 0.45 0.00 0.02 0.00 0.00 35.03 35.41 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qwv h MET 109 N 0.00 0.00 -0.53 0.00 2.86 -1.59 -3.27 114.93 112.40 1qwv h MET 109 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1qwv h MET 109 Cb 0.50 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1qwv h MET 109 CO 0.00 0.10 0.29 1.57 1.06 0.00 0.00 176.91 179.93 1qwv h LYS 110 N 0.00 0.55 0.00 1.72 5.09 -1.51 0.34 116.57 122.76 1qwv h LYS 110 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1qwv h LYS 110 Cb 1.12 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.33 1qwv h LYS 110 CO 0.01 0.36 0.05 -2.37 -2.09 0.00 0.00 179.45 175.42 1qwv n THR 111 N -4.84 1.38 0.01 0.07 5.66 -1.23 -1.46 114.28 113.87 1qwv n THR 111 Ca 0.05 0.62 -0.20 0.00 -3.05 0.00 0.00 64.05 61.47 1qwv n THR 111 Cb 0.12 -1.62 -0.14 0.00 -1.55 0.00 0.00 70.33 67.13 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1qwv h ILE 112 N 0.00 0.70 -0.67 1.09 5.03 -0.48 -2.28 117.51 120.89 1qwv h ILE 112 Ca 0.00 -2.41 -0.00 0.00 -0.12 0.00 0.00 64.86 62.33 1qwv h ILE 112 Cb 0.10 2.54 -0.03 0.00 -3.03 0.00 0.00 36.82 36.40 1qwv h ILE 112 CO 0.00 0.86 0.40 0.44 -0.68 0.00 0.00 178.15 179.17 1qwv h ASP 113 N 0.07 0.80 0.20 1.72 3.32 -0.72 0.21 116.42 122.01 1qwv h ASP 113 Ca -0.40 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.35 1qwv h ASP 113 Cb 2.04 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 41.41 1qwv h ASP 113 CO 0.10 0.61 -1.09 -0.37 -1.72 0.00 0.00 179.24 176.78 1qwv h VAL 114 N 0.92 1.34 -0.08 -1.35 -1.51 -1.55 -2.31 116.25 111.70 1qwv h VAL 114 Ca 0.24 -2.44 -0.00 0.00 -1.23 0.00 0.00 66.70 63.27 1qwv h VAL 114 Cb -0.04 2.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1qwv h VAL 114 CO -0.05 0.74 0.04 0.00 -1.23 0.00 0.00 177.57 177.07 1qwv h ALA 115 N 0.49 0.10 0.00 5.19 0.00 -0.88 -0.55 119.26 123.61 1qwv h ALA 115 Ca -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1qwv h ALA 115 Cb 1.75 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1qwv h ALA 115 CO 0.20 -0.35 -0.16 0.00 0.00 0.00 0.00 179.25 178.95 1qwv h MET 116 N 0.02 0.00 0.00 0.00 -0.00 -0.69 -0.89 114.93 113.37 1qwv h MET 116 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.66 1qwv h MET 116 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1qwv h MET 116 CO -0.00 0.16 -0.32 0.00 -0.00 0.00 0.00 176.91 176.75 1qwv h PHE 118 N 0.00 0.33 0.00 0.00 3.57 0.33 -2.58 116.94 118.58 1qwv h PHE 118 Ca -0.00 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.28 1qwv h PHE 118 Cb 0.72 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1qwv h PHE 118 CO 0.00 0.96 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.58 1qwv h LYS 119 N -0.39 0.00 0.28 1.11 3.11 -1.42 0.34 116.57 119.60 1qwv h LYS 119 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1qwv h LYS 119 Cb 1.03 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.23 1qwv h LYS 119 CO 0.06 0.24 -0.36 -0.22 -2.81 0.00 0.00 179.45 176.36 1qwv h LYS 120 N 0.00 -0.66 -0.73 1.90 1.63 -1.39 -0.54 116.57 116.78 1qwv h LYS 120 Ca -0.00 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1qwv h LYS 120 Cb 0.61 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1qwv h LYS 120 CO 0.03 -0.44 0.49 0.93 -3.45 0.00 0.00 179.45 177.00 1qwv h GLU 121 N -0.69 0.96 -0.62 1.90 4.39 -0.99 -2.00 114.58 117.54 1qwv h GLU 121 Ca -0.01 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.73 1qwv h GLU 121 Cb 0.65 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1qwv h GLU 121 CO -0.11 0.64 0.42 0.97 -1.16 0.00 0.00 179.01 179.77 1qwv h ILE 122 N 0.99 0.92 -0.05 3.13 -0.00 -0.16 0.11 117.51 122.46 1qwv h ILE 122 Ca 0.27 -0.16 -0.14 0.00 -0.00 0.00 0.00 64.86 64.82 1qwv h ILE 122 Cb -0.11 0.40 -0.01 0.00 -0.00 0.00 0.00 36.82 37.10 1qwv h ILE 122 CO -0.06 0.09 -0.62 0.45 -0.00 0.00 0.00 178.15 178.01 1qwv h HIS 123 N 0.47 0.21 -0.02 2.19 3.86 -0.43 -2.98 115.15 118.46 1qwv h HIS 123 Ca 0.29 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1qwv h HIS 123 Cb 0.49 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1qwv h HIS 123 CO -0.00 0.74 -0.47 -0.22 0.86 0.00 0.00 177.93 178.84 1qwv h LYS 124 N 0.12 0.05 -0.02 2.45 3.64 -0.25 -2.82 116.57 119.74 1qwv h LYS 124 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1qwv h LYS 124 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1qwv h LYS 124 CO 0.09 0.51 0.00 1.28 -2.27 0.00 0.00 179.45 179.06 1qwv n LEU 125 N -3.98 0.02 -0.17 5.20 4.77 0.16 -3.79 117.00 119.21 1qwv n LEU 125 Ca -0.02 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1qwv n LEU 125 Cb 0.50 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1qwv n LEU 125 CO 0.41 0.01 0.85 -1.13 -1.33 0.00 0.00 177.39 176.19 1qwv h ASN 126 N 0.01 -0.19 -2.87 -1.43 -1.24 -1.61 -3.37 115.58 104.89 1qwv h ASN 126 Ca 0.00 0.12 -0.57 0.00 0.71 0.00 0.00 56.30 56.56 1qwv h ASN 126 Cb 0.01 0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1qwv h ASN 126 CO 0.00 -0.07 1.20 0.26 -1.29 0.00 0.00 177.43 177.53 1qwv s TRP 127 N -6.16 2.03 0.15 0.67 0.51 -1.25 -5.00 118.94 109.90 1qwv s TRP 127 Ca -0.13 0.64 -0.02 0.00 -2.12 0.00 0.00 56.10 54.47 1qwv s TRP 127 Cb 0.17 -4.20 -0.05 0.00 -0.81 0.00 0.00 33.47 28.58 1qwv s TRP 127 CO 0.73 -2.55 0.35 0.14 -0.51 0.00 0.00 176.95 175.11 1qwv s VAL 128 N 6.41 5.23 0.47 4.03 -7.23 -1.26 -4.99 120.40 123.07 1qwv s VAL 128 Ca 0.72 -0.22 0.26 0.00 -1.81 0.00 0.00 61.98 60.92 1qwv s VAL 128 Cb -0.18 -3.67 0.29 0.00 0.56 0.00 0.00 36.38 33.38 1qwv s VAL 128 CO 0.33 -0.03 2.11 1.55 -0.31 0.00 0.00 175.10 178.75 1qwv h PRO 129 N 2.52 0.00 -0.07 4.82 0.13 -1.95 -3.46 132.00 134.00 1qwv h PRO 129 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1qwv h PRO 129 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1qwv h PRO 129 CO 0.71 0.09 -0.03 -1.71 -0.23 0.00 0.00 178.00 176.84 1qwv n ASN 130 N -3.83 -4.45 -3.60 1.44 5.15 -1.26 -4.93 115.26 103.78 1qwv n ASN 130 Ca -0.02 0.04 -0.29 0.00 -0.60 0.00 0.00 54.58 53.70 1qwv n ASN 130 Cb 0.19 -2.08 -0.13 0.00 -0.53 0.00 0.00 39.78 37.23 1qwv n ASN 130 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1qwv s MET 131 N -1.25 0.71 0.42 1.20 -1.94 -1.26 -5.13 119.30 112.05 1qwv s MET 131 Ca 0.00 -1.31 -0.02 0.00 -1.71 0.00 0.00 55.69 52.65 1qwv s MET 131 Cb 0.00 -1.68 -0.03 0.00 2.01 0.00 0.00 34.83 35.13 1qwv s MET 131 CO 0.00 -1.12 0.66 0.34 -0.01 0.00 0.00 175.02 174.90 1qwv s ASP 132 N 1.18 6.19 -0.06 3.03 2.15 -1.26 -5.10 116.67 122.80 1qwv s ASP 132 Ca 0.15 0.61 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1qwv s ASP 132 Cb -0.21 -2.03 0.01 0.00 -0.30 0.00 0.00 42.92 40.39 1qwv s ASP 132 CO -0.11 -0.48 -0.14 -1.48 -0.17 0.00 0.00 175.17 172.78 1qwv s LEU 133 N -4.53 1.76 -0.12 -1.34 -0.00 -1.26 -5.12 118.68 108.08 1qwv s LEU 133 Ca 0.44 -0.33 -0.02 0.00 -0.00 0.00 0.00 54.13 54.22 1qwv s LEU 133 Cb -0.10 -0.90 0.04 0.00 -0.00 0.00 0.00 46.19 45.23 1qwv s LEU 133 CO 0.40 0.08 0.01 0.68 -0.00 0.00 0.00 176.35 177.51 1qwv s VAL 134 N 0.46 0.46 0.01 1.48 -7.23 -1.26 -5.02 120.40 109.30 1qwv s VAL 134 Ca -0.12 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1qwv s VAL 134 Cb -0.15 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1qwv s VAL 134 CO 0.04 0.11 0.00 -0.38 -0.31 0.00 0.00 175.10 174.56 1qwv n ILE 135 N 5.10 -5.56 -0.28 -0.62 -0.00 -1.26 -4.99 119.36 111.75 1qwv n ILE 135 Ca -0.08 0.99 0.03 0.00 -0.00 0.00 0.00 62.75 63.69 1qwv n ILE 135 Cb 0.49 -3.87 0.06 0.00 -0.00 0.00 0.00 39.64 36.32 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 0.57 3.39 3.49 7.39 0.00 -1.26 -5.02 105.19 113.75 1qwv n GLY 136 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1qwv n GLY 136 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qwv s GLU 137 N -1.46 1.77 -0.18 1.61 4.04 -1.26 -5.13 118.70 118.09 1qwv s GLU 137 Ca 0.12 -1.54 -0.01 0.00 0.04 0.00 0.00 54.97 53.57 1qwv s GLU 137 Cb 0.09 -1.92 0.05 0.00 0.02 0.00 0.00 34.13 32.37 1qwv s GLU 137 CO 0.03 0.38 -0.02 0.08 -1.84 0.00 0.00 175.26 173.89 1qwv s VAL 138 N -2.03 0.95 -0.44 1.83 1.01 -1.26 -5.09 120.40 115.37 1qwv s VAL 138 Ca 0.26 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1qwv s VAL 138 Cb -0.07 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1qwv s VAL 138 CO 0.14 -0.03 1.24 -0.22 0.00 0.00 0.00 175.10 176.23 1qwv s LEU 139 N 1.68 3.64 0.04 3.92 1.98 -1.26 -5.01 118.68 123.68 1qwv s LEU 139 Ca -0.01 0.66 0.01 0.00 -2.89 0.00 0.00 54.13 51.90 1qwv s LEU 139 Cb -0.16 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.10 1qwv s LEU 139 CO -0.07 -1.29 0.14 0.00 -1.89 0.00 0.00 176.35 173.23 1qwv s ALA 140 N 4.77 3.78 -0.03 5.97 0.00 -1.26 -5.11 121.76 129.88 1qwv s ALA 140 Ca 0.53 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1qwv s ALA 140 Cb -0.10 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1qwv s ALA 140 CO 0.31 0.77 0.08 -2.00 0.00 0.00 0.00 175.76 174.91 1qwv s GLU 141 N -2.25 0.07 0.00 0.00 2.56 -1.26 -5.36 118.70 112.47 1qwv s GLU 141 Ca 0.30 0.14 0.14 0.00 0.00 0.00 0.00 54.97 55.54 1qwv s GLU 141 Cb -0.12 -0.01 0.11 0.00 2.00 0.00 0.00 34.13 36.10 1qwv s GLU 141 CO 0.22 -0.04 0.93 0.28 -0.56 0.00 0.00 175.26 176.09