#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 1.57 0.00 1.43 -0.04 -1.26 -4.34 135.00 132.35 1qwv n PRO 2 Ca 0.00 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1qwv n PRO 2 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1qwv n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qwv n GLU 3 N 0.09 0.00 0.01 0.54 -0.58 -1.26 -1.42 120.64 118.02 1qwv n GLU 3 Ca 0.18 0.72 0.12 0.00 -0.42 0.00 0.00 57.16 57.76 1qwv n GLU 3 Cb 0.36 -1.47 0.33 0.00 -0.57 0.00 0.00 31.44 30.09 1qwv n GLU 3 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1qwv n ILE 4 N -2.38 0.06 -0.28 -3.67 3.06 -1.26 -3.87 119.36 111.01 1qwv n ILE 4 Ca 0.00 -0.04 -0.06 0.00 -2.50 0.00 0.00 62.75 60.15 1qwv n ILE 4 Cb 0.00 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.25 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 1qwv h MET 5 N 0.00 1.13 -5.00 9.51 4.05 -1.69 -3.34 114.93 119.60 1qwv h MET 5 Ca 0.00 -0.18 -0.67 0.00 -0.28 0.00 0.00 59.70 58.57 1qwv h MET 5 Cb 0.54 -0.20 -0.18 0.00 -0.80 0.00 0.00 31.60 30.96 1qwv h MET 5 CO 0.00 0.89 0.27 0.21 0.23 0.00 0.00 176.91 178.51 1qwv s LYS 6 N -5.65 3.08 0.10 0.39 2.20 -0.51 -5.01 119.74 114.35 1qwv s LYS 6 Ca -0.13 -1.09 -0.31 0.00 -0.36 0.00 0.00 55.97 54.08 1qwv s LYS 6 Cb 0.15 -4.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.14 1qwv s LYS 6 CO 0.82 -1.61 1.80 -0.80 -0.36 0.00 0.00 175.35 175.20 1qwv s ASN 7 N 3.56 6.47 0.44 1.43 0.01 -1.25 -4.86 114.94 120.73 1qwv s ASN 7 Ca 0.16 2.68 0.13 0.00 -0.71 0.00 0.00 52.86 55.12 1qwv s ASN 7 Cb -0.21 -2.56 0.99 0.00 0.41 0.00 0.00 41.25 39.87 1qwv s ASN 7 CO 0.08 -0.98 2.00 0.25 -1.51 0.00 0.00 177.10 176.94 1qwv h LEU 8 N 8.76 0.07 -0.72 0.60 6.46 -1.88 0.31 115.31 128.91 1qwv h LEU 8 Ca -0.45 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.17 1qwv h LEU 8 Cb 1.21 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1qwv h LEU 8 CO 0.94 0.21 -0.40 0.77 -0.62 0.00 0.00 178.44 179.34 1qwv h SER 9 N 0.07 0.55 0.83 1.25 4.64 -1.93 -2.02 113.55 116.93 1qwv h SER 9 Ca 0.02 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 1qwv h SER 9 Cb 0.27 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1qwv h SER 9 CO 0.02 0.88 -0.41 -1.13 -0.87 0.00 0.00 176.83 175.32 1qwv h ASN 10 N 0.43 0.00 -0.53 4.97 -0.00 -1.50 -2.24 115.58 116.70 1qwv h ASN 10 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.22 1qwv h ASN 10 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.18 1qwv h ASN 10 CO 0.08 0.41 -0.14 0.78 -0.00 0.00 0.00 177.43 178.55 1qwv h ASN 11 N 0.00 1.05 0.00 1.15 2.35 -0.54 -3.31 115.58 116.28 1qwv h ASN 11 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1qwv h ASN 11 Cb 0.93 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1qwv h ASN 11 CO 0.05 1.17 0.00 0.49 -1.65 0.00 0.00 177.43 177.49 1qwv n PHE 12 N -4.13 0.00 -3.48 1.19 3.72 -0.80 -4.86 117.46 109.10 1qwv n PHE 12 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 1qwv n PHE 12 Cb 0.42 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.29 -0.48 0.30 1.37 0.00 -0.88 -4.85 105.19 100.37 1qwv n GLY 13 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.02 1.01 -2.38 1.61 3.11 -1.89 -3.40 116.57 113.62 1qwv h LYS 14 Ca -0.44 -0.30 -0.44 0.00 -2.81 0.00 0.00 60.65 56.66 1qwv h LYS 14 Cb 1.29 -0.10 -0.36 0.00 -1.00 0.00 0.00 32.23 32.07 1qwv h LYS 14 CO 0.56 0.98 -0.72 0.00 -2.81 0.00 0.00 179.45 177.46 1qwv s ALA 15 N -5.02 0.09 0.09 5.00 0.00 -1.26 -4.94 121.76 115.72 1qwv s ALA 15 Ca -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1qwv s ALA 15 Cb 0.14 -1.68 -0.25 0.00 0.00 0.00 0.00 23.12 21.32 1qwv s ALA 15 CO 0.85 -1.82 1.20 0.52 0.00 0.00 0.00 175.76 176.50 1qwv h MET 16 N 7.92 0.15 -0.97 0.00 2.86 -2.00 -3.25 114.93 119.64 1qwv h MET 16 Ca -0.09 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.37 1qwv h MET 16 Cb 1.04 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.72 1qwv h MET 16 CO 0.33 1.12 0.61 0.22 1.06 0.00 0.00 176.91 180.25 1qwv h ASP 17 N 0.04 0.96 0.90 1.22 1.82 -1.97 -1.89 116.42 117.50 1qwv h ASP 17 Ca -0.08 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.45 1qwv h ASP 17 Cb 1.88 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.69 1qwv h ASP 17 CO 0.17 0.59 -1.17 1.56 -1.61 0.00 0.00 179.24 178.78 1qwv h GLN 18 N 1.08 0.00 -0.10 0.28 4.20 -1.97 -1.74 115.11 116.86 1qwv h GLN 18 Ca 0.43 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.95 1qwv h GLN 18 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1qwv h GLN 18 CO -0.20 0.28 -0.73 0.00 -0.67 0.00 0.00 178.83 177.51 1qwv h LYS 20 N 0.34 1.11 -0.39 0.00 1.63 -1.27 -2.53 116.57 115.47 1qwv h LYS 20 Ca -0.03 -0.21 -0.14 0.00 -0.85 0.00 0.00 60.65 59.42 1qwv h LYS 20 Cb 1.32 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1qwv h LYS 20 CO 0.13 0.92 -0.29 0.22 -3.45 0.00 0.00 179.45 176.98 1qwv h ASP 21 N 1.08 0.93 -0.16 4.20 3.58 -1.22 -2.10 116.42 122.73 1qwv h ASP 21 Ca 0.24 -0.44 -0.11 0.00 0.42 0.00 0.00 57.03 57.15 1qwv h ASP 21 Cb 0.25 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1qwv h ASP 21 CO -0.02 1.17 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.87 1qwv h GLU 22 N 0.69 0.49 -0.00 0.28 4.39 -1.14 -3.11 114.58 116.17 1qwv h GLU 22 Ca 0.07 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1qwv h GLU 22 Cb 0.87 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1qwv h GLU 22 CO 0.08 0.92 -0.15 1.28 -1.16 0.00 0.00 179.01 179.98 1qwv n LEU 23 N -4.37 0.65 -2.47 1.33 4.77 -0.97 -4.90 117.00 111.05 1qwv n LEU 23 Ca -0.06 -0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 1qwv n LEU 23 Cb 0.48 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1qwv n LEU 23 CO 0.43 0.12 -0.04 -0.24 -1.33 0.00 0.00 177.39 176.33 1qwv n SER 24 N -0.85 -5.37 -4.68 -1.43 2.88 -0.85 -4.85 113.62 98.47 1qwv n SER 24 Ca 0.14 -0.20 -0.54 0.00 -1.33 0.00 0.00 58.87 56.93 1qwv n SER 24 Cb 0.30 -4.25 -0.06 0.00 -0.75 0.00 0.00 64.21 59.44 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qwv n LEU 25 N -3.27 2.71 -4.79 2.46 4.32 -0.85 -4.95 117.00 112.62 1qwv n LEU 25 Ca -0.12 0.99 -0.30 0.00 -0.02 0.00 0.00 56.01 56.56 1qwv n LEU 25 Cb 0.61 -1.22 0.08 0.00 -1.62 0.00 0.00 43.42 41.28 1qwv n LEU 25 CO 0.37 -0.33 0.70 -2.84 -1.22 0.00 0.00 177.39 174.08 1qwv s PRO 26 N 3.96 2.25 0.47 3.23 0.02 -1.26 -4.78 135.00 138.89 1qwv s PRO 26 Ca 0.98 0.81 0.16 0.00 0.02 0.00 0.00 61.00 62.97 1qwv s PRO 26 Cb -0.94 -1.92 1.10 0.00 0.02 0.00 0.00 34.50 32.76 1qwv s PRO 26 CO 0.60 -1.55 2.04 0.38 -0.33 0.00 0.00 177.00 178.14 1qwv h ASP 27 N -1.04 0.00 -0.28 2.53 2.03 -1.99 -0.35 116.42 117.33 1qwv h ASP 27 Ca -0.46 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.72 1qwv h ASP 27 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1qwv h ASP 27 CO 0.57 0.14 -0.26 -1.28 -1.03 0.00 0.00 179.24 177.38 1qwv h SER 28 N 0.00 0.79 -0.00 4.15 0.87 -1.99 -1.94 113.55 115.43 1qwv h SER 28 Ca -0.00 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1qwv h SER 28 Cb 0.25 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1qwv h SER 28 CO 0.02 1.01 -0.00 0.58 -0.53 0.00 0.00 176.83 177.90 1qwv h VAL 29 N 0.66 1.62 -0.72 2.23 2.07 -1.58 -2.56 116.25 117.97 1qwv h VAL 29 Ca 0.08 -1.82 0.11 0.00 0.82 0.00 0.00 66.70 65.89 1qwv h VAL 29 Cb 0.78 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 1qwv h VAL 29 CO 0.06 0.47 0.47 -0.37 0.02 0.00 0.00 177.57 178.23 1qwv h VAL 30 N -0.77 0.90 -0.03 2.57 -1.51 -1.18 0.33 116.25 116.57 1qwv h VAL 30 Ca -0.00 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1qwv h VAL 30 Cb 0.78 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1qwv h VAL 30 CO 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 1qwv h ALA 31 N 1.64 0.04 -0.40 5.19 0.00 -1.33 0.33 119.26 124.74 1qwv h ALA 31 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1qwv h ALA 31 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1qwv h ALA 31 CO -0.11 -0.33 -0.27 0.22 0.00 0.00 0.00 179.25 178.76 1qwv h ASP 32 N -0.20 0.86 0.24 0.00 1.82 -1.00 -3.09 116.42 115.05 1qwv h ASP 32 Ca 0.01 -0.34 0.01 0.00 -0.39 0.00 0.00 57.03 56.32 1qwv h ASP 32 Cb 0.27 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 1qwv h ASP 32 CO 0.00 1.08 -0.31 0.25 -1.61 0.00 0.00 179.24 178.65 1qwv h LEU 33 N 0.71 -0.86 -0.24 2.28 7.12 -0.22 -2.31 115.31 121.79 1qwv h LEU 33 Ca 0.09 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1qwv h LEU 33 Cb 0.81 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1qwv h LEU 33 CO 0.07 -0.43 0.00 -1.22 -0.13 0.00 0.00 178.44 176.73 1qwv n TYR 34 N -5.42 0.00 -1.55 1.25 4.01 0.12 -4.84 117.16 110.72 1qwv n TYR 34 Ca -0.08 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.19 1qwv n TYR 34 Cb 0.33 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.31 2.86 0.11 7.72 5.15 -0.87 -4.82 115.26 125.10 1qwv n ASN 35 Ca 0.00 0.35 -0.02 0.00 -0.60 0.00 0.00 54.58 54.31 1qwv n ASN 35 Cb 0.02 -1.43 -0.00 0.00 -0.53 0.00 0.00 39.78 37.84 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 13.57 0.00 -3.49 1.20 3.57 -1.91 -3.46 116.94 126.42 1qwv h PHE 36 Ca -0.36 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.64 1qwv h PHE 36 Cb 1.27 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.03 1qwv h PHE 36 CO 0.94 0.74 0.05 -1.58 -2.23 0.00 0.00 178.31 176.23 1qwv s TRP 37 N -2.95 3.52 -1.53 0.41 0.51 -1.26 -4.95 118.94 112.69 1qwv s TRP 37 Ca 0.02 0.81 -0.09 0.00 -2.12 0.00 0.00 56.10 54.72 1qwv s TRP 37 Cb 0.09 -2.28 -0.02 0.00 -0.81 0.00 0.00 33.47 30.46 1qwv s TRP 37 CO 0.78 -0.13 2.72 1.63 -0.51 0.00 0.00 176.95 181.44 1qwv n LYS 38 N -1.76 3.85 -0.29 4.98 4.01 -1.26 -4.74 118.16 122.95 1qwv n LYS 38 Ca 0.00 -2.59 0.07 0.00 -0.51 0.00 0.00 58.31 55.28 1qwv n LYS 38 Cb 0.55 -2.81 0.17 0.00 -0.51 0.00 0.00 35.03 32.43 1qwv n LYS 38 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1qwv h ASP 39 N 5.02 -0.53 -0.57 4.39 1.82 -1.92 -3.45 116.42 121.16 1qwv h ASP 39 Ca 0.79 0.24 -0.25 0.00 -0.39 0.00 0.00 57.03 57.42 1qwv h ASP 39 Cb 0.33 0.44 -0.10 0.00 0.68 0.00 0.00 39.33 40.68 1qwv h ASP 39 CO 1.72 -0.26 -0.22 0.47 -1.61 0.00 0.00 179.24 179.34 1qwv n ASP 40 N -5.45 -4.50 -3.97 2.28 8.00 -1.26 -5.00 116.55 106.65 1qwv n ASP 40 Ca 0.15 0.30 -0.30 0.00 0.71 0.00 0.00 54.79 55.65 1qwv n ASP 40 Cb 0.52 -3.06 0.21 0.00 -0.02 0.00 0.00 41.12 38.77 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 -2.43 1.22 -0.09 1.24 1.13 -1.26 -5.03 117.35 112.13 1qwv s TYR 41 Ca 0.00 0.28 -0.20 0.00 -1.41 0.00 0.00 57.07 55.74 1qwv s TYR 41 Cb 0.00 -4.10 -0.04 0.00 -1.10 0.00 0.00 41.96 36.72 1qwv s TYR 41 CO 0.00 -2.97 0.57 0.08 -2.51 0.00 0.00 175.55 170.72 1qwv s VAL 42 N -3.79 5.11 -0.44 -3.49 1.01 -1.26 -5.00 120.40 112.54 1qwv s VAL 42 Ca 0.75 1.16 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 1qwv s VAL 42 Cb -0.04 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1qwv s VAL 42 CO 0.54 0.31 2.04 -0.32 0.00 0.00 0.00 175.10 177.67 1qwv s MET 43 N 0.59 2.78 -0.08 2.72 1.75 -1.26 -4.84 119.30 120.95 1qwv s MET 43 Ca 0.31 1.28 -0.10 0.00 -1.25 0.00 0.00 55.69 55.92 1qwv s MET 43 Cb -0.16 -4.38 -0.29 0.00 2.84 0.00 0.00 34.83 32.84 1qwv s MET 43 CO 0.14 -2.52 0.54 1.79 -0.65 0.00 0.00 175.02 174.32 1qwv h THR 44 N 7.11 0.84 -3.54 10.11 1.35 -2.01 -3.45 112.91 123.33 1qwv h THR 44 Ca -0.30 -2.43 -0.62 0.00 -0.55 0.00 0.00 66.41 62.51 1qwv h THR 44 Cb 1.20 2.66 -0.13 0.00 -1.73 0.00 0.00 68.15 70.16 1qwv h THR 44 CO 1.11 0.85 0.13 -0.62 -0.25 0.00 0.00 175.52 176.73 1qwv s ASP 45 N -7.18 6.48 0.33 5.36 -1.08 -1.26 -4.93 116.67 114.39 1qwv s ASP 45 Ca -0.19 0.41 0.07 0.00 -0.52 0.00 0.00 52.55 52.33 1qwv s ASP 45 Cb 0.06 -2.32 0.76 0.00 -1.46 0.00 0.00 42.92 39.96 1qwv s ASP 45 CO 0.81 -0.46 1.83 0.08 0.52 0.00 0.00 175.17 177.95 1qwv h ARG 46 N 8.19 0.73 0.00 4.34 -0.00 -1.89 -1.72 114.38 124.03 1qwv h ARG 46 Ca -0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1qwv h ARG 46 Cb 1.12 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.92 1qwv h ARG 46 CO 0.79 0.48 0.00 1.25 -0.00 0.00 0.00 179.97 182.50 1qwv h LEU 47 N 0.75 0.00 0.10 0.08 5.85 -1.94 0.05 115.31 120.20 1qwv h LEU 47 Ca 0.51 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 1qwv h LEU 47 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1qwv h LEU 47 CO -0.27 0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 177.78 1qwv h ALA 48 N 2.08 -0.14 -0.89 1.25 0.00 -1.66 -2.57 119.26 117.34 1qwv h ALA 48 Ca 0.00 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.98 1qwv h ALA 48 Cb 0.40 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.08 1qwv h ALA 48 CO 0.00 -0.16 0.10 0.41 0.00 0.00 0.00 179.25 179.60 1qwv n GLY 49 N 1.19 -1.11 0.23 0.00 0.00 -0.90 -1.05 105.19 103.55 1qwv n GLY 49 Ca -0.05 0.84 -0.10 0.00 0.00 0.00 0.00 46.02 46.71 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv h ALA 51 N 0.93 1.17 0.00 0.00 0.00 -0.66 -1.62 119.26 119.07 1qwv h ALA 51 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1qwv h ALA 51 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1qwv h ALA 51 CO 0.01 0.29 -0.57 0.82 0.00 0.00 0.00 179.25 179.80 1qwv h ILE 52 N 0.00 1.08 -1.21 0.00 2.04 -1.01 -3.22 117.51 115.19 1qwv h ILE 52 Ca -0.00 -2.26 -0.62 0.00 1.00 0.00 0.00 64.86 62.98 1qwv h ILE 52 Cb 0.60 2.35 -0.37 0.00 -0.74 0.00 0.00 36.82 38.65 1qwv h ILE 52 CO 0.03 0.56 -0.15 0.59 0.00 0.00 0.00 178.15 179.18 1qwv n ASN 53 N -3.37 5.85 -0.01 1.72 3.02 -0.66 -4.65 115.26 117.16 1qwv n ASN 53 Ca 0.01 -3.76 -0.01 0.00 -0.03 0.00 0.00 54.58 50.78 1qwv n ASN 53 Cb 0.70 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwv n LEU 55 N -2.81 0.00 0.11 0.00 7.99 -1.26 0.22 117.00 121.25 1qwv n LEU 55 Ca -0.02 0.59 0.13 0.00 -0.01 0.00 0.00 56.01 56.69 1qwv n LEU 55 Cb 0.52 -0.09 0.32 0.00 -0.11 0.00 0.00 43.42 44.06 1qwv n LEU 55 CO 0.01 -0.09 0.73 0.00 -1.51 0.00 0.00 177.39 176.53 1qwv h ALA 56 N -1.88 0.89 0.04 -1.18 0.00 -1.94 -2.60 119.26 112.59 1qwv h ALA 56 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1qwv h ALA 56 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qwv h ALA 56 CO 0.00 0.00 -1.02 1.15 0.00 0.00 0.00 179.25 179.38 1qwv h THR 57 N 0.00 1.59 0.00 0.00 2.02 -1.78 -2.75 112.91 111.98 1qwv h THR 57 Ca 0.00 -3.06 -0.08 0.00 0.77 0.00 0.00 66.41 64.04 1qwv h THR 57 Cb 0.77 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1qwv h THR 57 CO 0.00 0.88 -0.57 0.11 0.37 0.00 0.00 175.52 176.32 1qwv h LYS 58 N 0.05 0.00 0.84 6.66 1.79 -0.16 -3.36 116.57 122.39 1qwv h LYS 58 Ca -0.05 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1qwv h LYS 58 Cb 1.72 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.38 1qwv h LYS 58 CO 0.15 0.30 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.34 1qwv h LEU 59 N 0.00 -0.96 -6.48 2.94 3.38 -1.38 -3.47 115.31 109.34 1qwv h LEU 59 Ca -0.03 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.18 1qwv h LEU 59 Cb 1.28 0.25 -0.27 0.00 0.09 0.00 0.00 40.66 42.02 1qwv h LEU 59 CO 0.04 -0.60 0.42 -0.62 0.09 0.00 0.00 178.44 177.77 1qwv s ASP 60 N -4.26 -0.33 -0.02 -0.43 -1.08 -1.05 -5.06 116.67 104.45 1qwv s ASP 60 Ca -0.17 0.47 0.01 0.00 -0.52 0.00 0.00 52.55 52.34 1qwv s ASP 60 Cb 0.02 1.32 0.02 0.00 -1.46 0.00 0.00 42.92 42.82 1qwv s ASP 60 CO 0.50 -0.07 0.34 0.55 0.52 0.00 0.00 175.17 177.01 1qwv n VAL 61 N 4.43 0.00 -3.44 1.11 3.14 -1.26 -4.76 118.33 117.56 1qwv n VAL 61 Ca -0.10 -0.06 -0.41 0.00 -2.96 0.00 0.00 64.34 60.81 1qwv n VAL 61 Cb 0.55 0.26 -0.10 0.00 -1.06 0.00 0.00 33.84 33.49 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 5.21 -0.04 1.55 -7.23 -1.26 -4.41 120.40 114.22 1qwv s VAL 62 Ca 0.00 -0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.83 1qwv s VAL 62 Cb 0.02 -3.83 -0.13 0.00 0.56 0.00 0.00 36.38 33.01 1qwv s VAL 62 CO -0.01 -0.13 0.79 -0.78 -0.31 0.00 0.00 175.10 174.66 1qwv h ASP 63 N 8.52 -0.30 0.00 4.85 3.58 -1.87 -3.47 116.42 127.73 1qwv h ASP 63 Ca -0.30 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1qwv h ASP 63 Cb 1.14 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1qwv h ASP 63 CO 0.69 0.19 0.00 -0.81 -2.88 0.00 0.00 179.24 176.43 1qwv n PRO 64 N -5.02 3.50 0.00 0.28 -0.05 -1.26 -4.89 135.00 127.56 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 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.69 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1qwv n ASP 65 N 0.00 0.04 0.00 3.54 9.92 -1.26 -4.81 116.55 123.97 1qwv n ASP 65 Ca 0.00 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.80 1qwv n ASP 65 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qwv n GLY 66 N 0.23 1.26 3.79 0.44 0.00 -1.26 -5.11 105.19 104.54 1qwv n GLY 66 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1qwv n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwv s ASN 67 N -2.22 3.79 -0.92 1.61 4.22 -1.26 -4.29 114.94 115.87 1qwv s ASN 67 Ca 0.00 1.05 0.00 0.00 -2.14 0.00 0.00 52.86 51.77 1qwv s ASN 67 Cb 0.00 -1.67 0.00 0.00 1.28 0.00 0.00 41.25 40.86 1qwv s ASN 67 CO 0.00 -2.39 0.00 0.18 -2.04 0.00 0.00 177.10 172.85 1qwv n LEU 68 N -3.67 -1.38 -3.52 3.54 7.99 -1.26 -4.41 117.00 114.30 1qwv n LEU 68 Ca 0.07 0.03 -0.39 0.00 -0.01 0.00 0.00 56.01 55.71 1qwv n LEU 68 Cb 0.58 -1.71 -0.02 0.00 -0.11 0.00 0.00 43.42 42.16 1qwv n LEU 68 CO 0.57 -0.17 2.72 0.00 -1.51 0.00 0.00 177.39 179.00 1qwv n HIS 69 N -3.83 2.59 -0.10 -1.77 1.44 -1.26 -4.41 115.22 107.89 1qwv n HIS 69 Ca -0.12 -2.63 -0.21 0.00 -2.01 0.00 0.00 57.72 52.75 1qwv n HIS 69 Cb 0.56 -2.24 -0.12 0.00 0.12 0.00 0.00 29.99 28.31 1qwv n HIS 69 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1qwv h HIS 70 N 6.16 0.01 0.02 -1.40 6.17 -1.91 -3.36 115.15 120.84 1qwv h HIS 70 Ca 0.61 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.70 1qwv h HIS 70 Cb 0.48 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 1qwv h HIS 70 CO 1.60 1.45 -0.12 0.78 0.71 0.00 0.00 177.93 182.35 1qwv h GLY 71 N -0.95 -0.17 1.33 5.26 0.00 -1.95 -2.48 103.07 104.11 1qwv h GLY 71 Ca -0.32 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1qwv h GLY 71 CO -0.18 -0.13 0.40 -0.57 0.00 0.00 0.00 176.54 176.06 1qwv h ASN 72 N -0.22 0.64 -0.01 0.19 -0.73 -1.83 0.42 115.58 114.04 1qwv h ASN 72 Ca 0.04 -0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.02 1qwv h ASN 72 Cb 0.26 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 1qwv h ASN 72 CO -0.11 0.45 -0.61 0.00 -0.37 0.00 0.00 177.43 176.79 1qwv h ALA 73 N 1.64 0.60 0.15 1.57 0.00 -1.61 0.59 119.26 122.20 1qwv h ALA 73 Ca 0.24 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1qwv h ALA 73 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qwv h ALA 73 CO -0.06 0.70 -1.34 0.87 0.00 0.00 0.00 179.25 179.42 1qwv h LYS 74 N 0.46 0.33 -0.59 0.00 1.79 -1.01 -2.49 116.57 115.06 1qwv h LYS 74 Ca -0.00 -0.56 -0.08 0.00 -2.18 0.00 0.00 60.65 57.83 1qwv h LYS 74 Cb 1.18 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 32.01 1qwv h LYS 74 CO 0.12 1.26 0.06 0.22 -1.08 0.00 0.00 179.45 180.02 1qwv h ASP 75 N 0.09 0.96 -0.75 0.86 3.58 -0.91 -1.33 116.42 118.92 1qwv h ASP 75 Ca -0.18 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 1qwv h ASP 75 Cb 2.02 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 42.78 1qwv h ASP 75 CO 0.21 1.00 0.46 0.15 -2.88 0.00 0.00 179.24 178.19 1qwv h PHE 76 N 0.89 0.98 -0.13 0.28 3.57 -0.89 -0.45 116.94 121.19 1qwv h PHE 76 Ca 0.17 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1qwv h PHE 76 Cb 0.47 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1qwv h PHE 76 CO 0.03 0.65 -0.49 0.00 -2.23 0.00 0.00 178.31 176.28 1qwv h ALA 77 N 1.47 0.92 -0.05 2.41 0.00 -1.15 -0.26 119.26 122.60 1qwv h ALA 77 Ca 0.27 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1qwv h ALA 77 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qwv h ALA 77 CO -0.05 0.66 -0.80 0.52 0.00 0.00 0.00 179.25 179.58 1qwv h MET 78 N 0.28 0.38 -0.00 0.00 2.86 -0.22 0.04 114.93 118.26 1qwv h MET 78 Ca 0.01 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1qwv h MET 78 Cb 0.96 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1qwv h MET 78 CO 0.08 1.00 -0.58 1.17 1.06 0.00 0.00 176.91 179.64 1qwv n LYS 79 N -3.80 0.30 -3.42 1.72 4.81 -0.28 -4.25 118.16 113.25 1qwv n LYS 79 Ca -0.05 -0.21 -0.26 0.00 -0.87 0.00 0.00 58.31 56.92 1qwv n LYS 79 Cb 0.75 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.20 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1qwv s HIS 80 N -2.84 0.52 0.00 5.64 3.76 -0.11 -4.99 115.29 117.27 1qwv s HIS 80 Ca 0.14 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.51 1qwv s HIS 80 Cb 0.18 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 33.08 1qwv s HIS 80 CO 0.70 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 1qwv n GLY 81 N 3.90 2.08 3.67 -2.22 0.00 -1.21 -4.38 105.19 107.03 1qwv n GLY 81 Ca 0.14 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1qwv n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv s ALA 82 N -0.74 3.24 0.76 4.61 0.00 -0.01 -4.68 121.76 124.94 1qwv s ALA 82 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1qwv s ALA 82 Cb 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.76 1qwv s ALA 82 CO 0.00 0.60 1.11 0.16 0.00 0.00 0.00 175.76 177.63 1qwv s ASP 83 N -1.03 4.90 0.55 0.00 -4.77 -1.26 -3.60 116.67 111.46 1qwv s ASP 83 Ca 0.15 1.13 0.33 0.00 -3.30 0.00 0.00 52.55 50.86 1qwv s ASP 83 Cb -0.11 -1.86 1.53 0.00 -1.09 0.00 0.00 42.92 41.39 1qwv s ASP 83 CO 0.04 -1.69 2.05 1.05 0.70 0.00 0.00 175.17 177.33 1qwv h GLU 84 N -0.90 0.00 0.00 2.11 4.11 -1.94 0.79 114.58 118.75 1qwv h GLU 84 Ca -0.46 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.87 1qwv h GLU 84 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1qwv h GLU 84 CO 0.63 0.05 -0.48 0.00 0.07 0.00 0.00 179.01 179.28 1qwv h THR 85 N 0.00 1.17 0.21 -1.06 1.03 -1.97 0.25 112.91 112.53 1qwv h THR 85 Ca -0.00 -1.75 -0.35 0.00 -0.01 0.00 0.00 66.41 64.30 1qwv h THR 85 Cb 0.41 1.99 0.02 0.00 -1.07 0.00 0.00 68.15 69.51 1qwv h THR 85 CO 0.01 0.47 -1.67 0.24 -0.01 0.00 0.00 175.52 174.56 1qwv h MET 86 N 0.00 0.44 -0.51 0.00 2.86 -1.22 -2.52 114.93 113.99 1qwv h MET 86 Ca -0.00 -0.75 -0.08 0.00 -2.06 0.00 0.00 59.70 56.81 1qwv h MET 86 Cb 0.96 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1qwv h MET 86 CO 0.06 1.35 -0.01 0.00 1.06 0.00 0.00 176.91 179.37 1qwv h ALA 87 N 0.14 1.02 0.00 6.32 0.00 -1.30 -1.61 119.26 123.84 1qwv h ALA 87 Ca -0.31 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 1qwv h ALA 87 Cb 2.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1qwv h ALA 87 CO 0.21 0.60 -0.62 1.96 0.00 0.00 0.00 179.25 181.40 1qwv h GLN 88 N 0.80 0.00 0.00 0.00 7.50 -0.54 0.35 115.11 123.22 1qwv h GLN 88 Ca 0.15 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.21 1qwv h GLN 88 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1qwv h GLN 88 CO 0.02 0.62 -0.42 -0.56 -1.50 0.00 0.00 178.83 177.00 1qwv h GLN 89 N 0.00 0.00 0.09 1.46 3.07 -1.35 -3.30 115.11 115.08 1qwv h GLN 89 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1qwv h GLN 89 Cb 1.36 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.93 1qwv h GLN 89 CO 0.08 0.42 -0.71 1.25 0.09 0.00 0.00 178.83 179.96 1qwv h LEU 90 N 0.00 0.31 -1.67 0.06 5.85 -0.81 -3.35 115.31 115.70 1qwv h LEU 90 Ca -0.00 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 57.85 1qwv h LEU 90 Cb 1.32 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1qwv h LEU 90 CO 0.05 1.33 0.33 -0.37 -0.34 0.00 0.00 178.44 179.45 1qwv h VAL 91 N -0.56 0.95 -0.34 1.05 -1.51 -0.43 0.11 116.25 115.52 1qwv h VAL 91 Ca -0.14 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.16 1qwv h VAL 91 Cb 1.47 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1qwv h VAL 91 CO 0.08 0.07 0.07 -0.78 -1.23 0.00 0.00 177.57 175.79 1qwv h ASP 92 N 0.40 0.53 -0.52 4.19 3.58 -1.70 0.73 116.42 123.62 1qwv h ASP 92 Ca 0.22 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 1qwv h ASP 92 Cb 0.35 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1qwv h ASP 92 CO -0.06 0.63 -0.16 0.40 -2.88 0.00 0.00 179.24 177.18 1qwv h ILE 93 N 0.40 1.27 -0.28 2.25 5.03 -1.44 -2.30 117.51 122.44 1qwv h ILE 93 Ca 0.11 -1.32 0.06 0.00 -0.12 0.00 0.00 64.86 63.58 1qwv h ILE 93 Cb 0.32 1.03 -0.05 0.00 -3.03 0.00 0.00 36.82 35.08 1qwv h ILE 93 CO 0.00 0.46 -0.07 0.40 -0.68 0.00 0.00 178.15 178.27 1qwv h ILE 94 N 0.90 0.72 -0.09 -0.67 2.04 -0.36 0.39 117.51 120.45 1qwv h ILE 94 Ca 0.13 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 1qwv h ILE 94 Cb 0.74 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1qwv h ILE 94 CO 0.06 0.00 -0.59 0.45 0.00 0.00 0.00 178.15 178.07 1qwv h HIS 95 N -0.00 0.38 0.01 1.37 3.86 -0.80 -0.76 115.15 119.21 1qwv h HIS 95 Ca 0.13 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1qwv h HIS 95 Cb 0.21 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1qwv h HIS 95 CO -0.27 0.82 -0.20 0.78 0.86 0.00 0.00 177.93 179.91 1qwv h GLY 96 N 1.39 0.03 2.00 2.45 0.00 -1.02 -2.25 103.07 105.66 1qwv h GLY 96 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 1qwv h GLY 96 CO 0.10 0.06 -0.54 0.00 0.00 0.00 0.00 176.54 176.15 1qwv h GLU 98 N 0.00 1.07 -0.20 0.00 4.81 -1.21 0.46 114.58 119.50 1qwv h GLU 98 Ca -0.01 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1qwv h GLU 98 Cb 1.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1qwv h GLU 98 CO 0.07 0.83 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.68 1qwv h LYS 99 N 1.06 0.38 -0.54 1.92 1.63 -0.79 -2.47 116.57 117.75 1qwv h LYS 99 Ca 0.26 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1qwv h LYS 99 Cb 0.13 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1qwv h LYS 99 CO -0.03 0.64 0.00 0.43 -3.45 0.00 0.00 179.45 177.04 1qwv n SER 100 N -4.11 3.17 -4.81 4.20 7.64 -0.80 -4.96 113.62 113.95 1qwv n SER 100 Ca -0.01 -1.98 -0.32 0.00 1.01 0.00 0.00 58.87 57.57 1qwv n SER 100 Cb 0.41 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.28 2.74 0.26 -0.43 0.00 0.13 -4.97 121.76 118.21 1qwv s ALA 101 Ca 0.40 0.33 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1qwv s ALA 101 Cb 0.21 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 1qwv s ALA 101 CO 0.28 -0.86 0.74 -2.30 0.00 0.00 0.00 175.76 173.62 1qwv n PRO 102 N -2.20 0.66 0.00 0.00 -0.02 -1.26 -4.79 135.00 127.40 1qwv n PRO 102 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1qwv n PRO 102 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qwv n PRO 103 N 0.84 0.48 -3.62 0.52 -0.02 -1.26 -4.39 135.00 127.56 1qwv n PRO 103 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 1qwv n PRO 103 Cb 0.30 -1.25 -0.08 0.00 -0.02 0.00 0.00 33.50 32.44 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 0.21 5.61 -0.83 2.55 0.01 -1.26 -5.04 114.94 116.20 1qwv s ASN 104 Ca 0.00 -2.49 -0.25 0.00 -0.71 0.00 0.00 52.86 49.40 1qwv s ASN 104 Cb 0.00 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.72 1qwv s ASN 104 CO 0.00 -0.51 1.55 -0.62 -1.51 0.00 0.00 177.10 176.01 1qwv s ASP 105 N 1.57 5.94 -0.14 -1.22 2.15 -1.26 -4.71 116.67 119.00 1qwv s ASP 105 Ca 0.13 -0.67 0.02 0.00 0.43 0.00 0.00 52.55 52.47 1qwv s ASP 105 Cb -0.20 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1qwv s ASP 105 CO -0.04 -1.98 -0.20 -0.62 -0.17 0.00 0.00 175.17 172.16 1qwv s ASP 106 N 5.63 2.97 0.18 -0.34 2.15 -1.26 -5.05 116.67 120.95 1qwv s ASP 106 Ca 0.50 -0.57 -0.08 0.00 0.43 0.00 0.00 52.55 52.84 1qwv s ASP 106 Cb -0.06 -1.37 0.27 0.00 -0.30 0.00 0.00 42.92 41.46 1qwv s ASP 106 CO 0.05 0.05 1.08 2.29 -0.17 0.00 0.00 175.17 178.47 1qwv n LYS 107 N 4.17 -0.09 -0.04 4.34 0.00 -1.26 -1.55 118.16 123.73 1qwv n LYS 107 Ca -0.20 1.07 -0.10 0.00 -0.00 0.00 0.00 58.31 59.09 1qwv n LYS 107 Cb 0.51 -1.60 -0.14 0.00 -0.00 0.00 0.00 35.03 33.80 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qwv h MET 109 N 0.00 0.50 0.04 0.00 2.86 -1.60 -2.22 114.93 114.52 1qwv h MET 109 Ca -0.35 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1qwv h MET 109 Cb 2.06 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.63 1qwv h MET 109 CO 0.07 0.41 -0.02 1.57 1.06 0.00 0.00 176.91 180.00 1qwv h LYS 110 N 0.45 -0.05 0.00 1.72 2.10 -1.56 -2.73 116.57 116.50 1qwv h LYS 110 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1qwv h LYS 110 Cb 0.06 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1qwv h LYS 110 CO -0.02 0.25 0.05 0.00 -2.00 0.00 0.00 179.45 177.73 1qwv h THR 111 N -0.36 0.00 0.14 0.07 1.03 -1.59 0.02 112.91 112.22 1qwv h THR 111 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.03 1qwv h THR 111 Cb 0.33 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 67.89 1qwv h THR 111 CO 0.01 0.00 -1.93 0.40 -0.01 0.00 0.00 175.52 173.99 1qwv h ILE 112 N 0.00 0.70 -0.86 0.00 5.03 -1.10 -2.43 117.51 118.85 1qwv h ILE 112 Ca 0.00 -2.39 -0.01 0.00 -0.12 0.00 0.00 64.86 62.34 1qwv h ILE 112 Cb 0.10 2.57 -0.04 0.00 -3.03 0.00 0.00 36.82 36.42 1qwv h ILE 112 CO 0.00 0.88 0.51 0.44 -0.68 0.00 0.00 178.15 179.31 1qwv h ASP 113 N 0.08 1.03 0.31 1.72 5.19 -0.89 -0.84 116.42 123.01 1qwv h ASP 113 Ca -0.40 -0.06 -0.33 0.00 -0.62 0.00 0.00 57.03 55.62 1qwv h ASP 113 Cb 2.05 -0.26 0.03 0.00 0.18 0.00 0.00 39.33 41.33 1qwv h ASP 113 CO 0.11 0.79 -1.46 -0.37 -3.12 0.00 0.00 179.24 175.19 1qwv h VAL 114 N 1.18 1.30 -0.72 -1.35 -1.51 -1.16 -2.85 116.25 111.14 1qwv h VAL 114 Ca 0.31 -2.74 -0.03 0.00 -1.23 0.00 0.00 66.70 63.00 1qwv h VAL 114 Cb -0.04 3.03 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 1qwv h VAL 114 CO -0.06 0.82 0.32 0.00 -1.23 0.00 0.00 177.57 177.42 1qwv h ALA 115 N 0.21 0.93 0.00 5.19 0.00 -1.38 -1.78 119.26 122.42 1qwv h ALA 115 Ca -0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1qwv h ALA 115 Cb 2.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1qwv h ALA 115 CO 0.27 0.52 -0.17 0.00 0.00 0.00 0.00 179.25 179.87 1qwv h MET 116 N 1.01 0.00 -0.04 0.00 -0.00 -1.15 0.04 114.93 114.79 1qwv h MET 116 Ca 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.87 1qwv h MET 116 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 1qwv h MET 116 CO -0.03 0.17 -0.31 0.00 -0.00 0.00 0.00 176.91 176.74 1qwv h PHE 118 N 0.07 1.06 0.00 0.00 3.57 -0.71 -2.36 116.94 118.57 1qwv h PHE 118 Ca 0.01 -0.33 -0.00 0.00 3.53 0.00 0.00 57.97 61.18 1qwv h PHE 118 Cb 0.59 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1qwv h PHE 118 CO 0.00 1.14 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.99 1qwv h LYS 119 N 0.67 0.00 -0.05 1.11 3.11 -1.18 0.21 116.57 120.44 1qwv h LYS 119 Ca 0.05 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1qwv h LYS 119 Cb 0.98 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1qwv h LYS 119 CO 0.09 0.02 0.01 0.87 -2.81 0.00 0.00 179.45 177.63 1qwv h LYS 120 N 0.00 0.08 0.02 1.90 6.56 -1.12 -2.20 116.57 121.80 1qwv h LYS 120 Ca -0.00 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1qwv h LYS 120 Cb 0.44 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1qwv h LYS 120 CO 0.00 0.30 -0.06 0.93 -2.06 0.00 0.00 179.45 178.56 1qwv h GLU 121 N -0.14 -0.10 -0.84 3.15 4.39 -0.76 -1.99 114.58 118.28 1qwv h GLU 121 Ca 0.02 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.87 1qwv h GLU 121 Cb 0.25 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1qwv h GLU 121 CO 0.00 -0.07 0.55 0.97 -1.16 0.00 0.00 179.01 179.30 1qwv h ILE 122 N -0.11 0.82 -0.09 3.13 -0.00 -0.66 0.73 117.51 121.33 1qwv h ILE 122 Ca 0.02 -0.20 -0.13 0.00 -0.00 0.00 0.00 64.86 64.55 1qwv h ILE 122 Cb 0.13 0.17 -0.01 0.00 -0.00 0.00 0.00 36.82 37.11 1qwv h ILE 122 CO -0.05 0.11 -0.51 0.45 -0.00 0.00 0.00 178.15 178.15 1qwv h HIS 123 N 0.59 0.30 -0.25 2.19 3.86 -0.98 0.34 115.15 121.21 1qwv h HIS 123 Ca 0.42 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 59.41 1qwv h HIS 123 Cb 0.77 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1qwv h HIS 123 CO -0.00 0.71 -0.36 -0.22 0.86 0.00 0.00 177.93 178.92 1qwv h LYS 124 N 0.19 0.55 -0.32 2.45 1.63 -0.22 -2.73 116.57 118.13 1qwv h LYS 124 Ca 0.01 -0.26 -0.11 0.00 -0.85 0.00 0.00 60.65 59.43 1qwv h LYS 124 Cb 0.97 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1qwv h LYS 124 CO 0.08 0.83 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.56 1qwv h LEU 125 N 0.46 0.66 -0.11 5.20 3.38 -0.69 -3.30 115.31 120.92 1qwv h LEU 125 Ca 0.05 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1qwv h LEU 125 Cb 0.84 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1qwv h LEU 125 CO 0.07 0.91 -0.29 -1.13 0.09 0.00 0.00 178.44 178.08 1qwv h ASN 126 N 0.56 -0.90 -1.67 -0.43 -1.24 -0.61 -3.14 115.58 108.14 1qwv h ASN 126 Ca 0.07 0.13 -0.57 0.00 0.71 0.00 0.00 56.30 56.65 1qwv h ASN 126 Cb 0.76 0.38 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 1qwv h ASN 126 CO 0.06 -0.34 1.53 0.79 -1.29 0.00 0.00 177.43 178.18 1qwv n TRP 127 N -5.40 1.72 -3.23 0.67 8.01 -1.19 -3.79 117.44 114.23 1qwv n TRP 127 Ca -0.03 0.02 -0.26 0.00 -1.31 0.00 0.00 57.50 55.92 1qwv n TRP 127 Cb 0.31 -2.66 0.03 0.00 -2.01 0.00 0.00 31.31 26.98 1qwv n TRP 127 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 1qwv n VAL 128 N 7.73 -3.02 -2.28 -0.99 0.24 -1.26 -4.96 118.33 113.79 1qwv n VAL 128 Ca 0.35 0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 62.52 1qwv n VAL 128 Cb 0.42 -3.10 -0.02 0.00 -1.47 0.00 0.00 33.84 29.68 1qwv n VAL 128 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1qwv s PRO 129 N -1.85 3.79 0.19 7.34 0.04 -1.19 -5.01 135.00 138.31 1qwv s PRO 129 Ca 0.25 0.80 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 1qwv s PRO 129 Cb -0.03 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1qwv s PRO 129 CO 0.56 -0.34 1.58 1.21 0.04 0.00 0.00 177.00 180.05 1qwv s ASN 130 N -3.50 6.54 -0.49 6.66 2.47 -1.26 -4.92 114.94 120.44 1qwv s ASN 130 Ca 0.56 2.69 -0.29 0.00 0.42 0.00 0.00 52.86 56.24 1qwv s ASN 130 Cb -0.10 -2.60 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1qwv s ASN 130 CO 0.40 -0.84 1.29 -0.32 -3.72 0.00 0.00 177.10 173.91 1qwv s MET 131 N 0.85 3.56 -0.25 0.43 -2.45 -1.26 -4.94 119.30 115.23 1qwv s MET 131 Ca 0.69 0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 55.73 1qwv s MET 131 Cb -0.45 -4.01 0.13 0.00 1.25 0.00 0.00 34.83 31.76 1qwv s MET 131 CO 0.34 -1.60 0.35 0.34 1.05 0.00 0.00 175.02 175.50 1qwv s ASP 132 N 3.42 0.60 -0.88 1.11 2.15 -1.26 -5.10 116.67 116.72 1qwv s ASP 132 Ca 0.53 -0.07 -0.16 0.00 0.43 0.00 0.00 52.55 53.27 1qwv s ASP 132 Cb -0.10 0.94 0.17 0.00 -0.30 0.00 0.00 42.92 43.63 1qwv s ASP 132 CO 0.30 -0.32 0.95 -0.76 -0.17 0.00 0.00 175.17 175.16 1qwv s LEU 133 N 2.49 5.88 -0.79 -1.34 2.01 -1.26 -4.97 118.68 120.70 1qwv s LEU 133 Ca 0.11 -2.34 -0.18 0.00 0.01 0.00 0.00 54.13 51.73 1qwv s LEU 133 Cb -0.15 -2.31 0.15 0.00 0.01 0.00 0.00 46.19 43.89 1qwv s LEU 133 CO -0.20 -0.83 0.89 0.54 1.01 0.00 0.00 176.35 177.76 1qwv s VAL 134 N 1.48 5.00 -0.38 -1.59 0.11 -1.26 -4.99 120.40 118.77 1qwv s VAL 134 Ca 0.25 -1.62 -0.04 0.00 -2.93 0.00 0.00 61.98 57.64 1qwv s VAL 134 Cb -0.08 -4.60 0.08 0.00 -1.53 0.00 0.00 36.38 30.26 1qwv s VAL 134 CO -0.09 -1.25 0.15 -0.63 -3.33 0.00 0.00 175.10 169.95 1qwv s ILE 135 N 2.01 3.41 -1.12 7.04 1.09 -1.26 -4.99 121.20 127.38 1qwv s ILE 135 Ca 0.22 -1.70 -0.04 0.00 -1.10 0.00 0.00 60.65 58.03 1qwv s ILE 135 Cb -0.13 -3.17 0.19 0.00 -1.06 0.00 0.00 42.46 38.30 1qwv s ILE 135 CO -0.04 -0.47 2.22 0.61 -0.10 0.00 0.00 174.94 177.16 1qwv n GLY 136 N 4.67 5.46 2.99 6.18 0.00 -1.26 -4.93 105.19 118.30 1qwv n GLY 136 Ca -0.07 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.51 1qwv n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qwv s GLU 137 N -2.42 1.07 -0.23 1.61 2.56 -1.26 -5.12 118.70 114.91 1qwv s GLU 137 Ca 0.50 -0.30 -0.15 0.00 0.00 0.00 0.00 54.97 55.01 1qwv s GLU 137 Cb 0.22 -0.98 0.07 0.00 2.00 0.00 0.00 34.13 35.44 1qwv s GLU 137 CO -0.14 0.08 0.57 0.54 -0.56 0.00 0.00 175.26 175.75 1qwv s VAL 138 N 0.34 -0.01 -0.51 3.70 0.11 -1.26 -5.13 120.40 117.65 1qwv s VAL 138 Ca -0.06 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 1qwv s VAL 138 Cb -0.10 -0.82 0.13 0.00 -1.53 0.00 0.00 36.38 34.05 1qwv s VAL 138 CO 0.01 0.01 0.39 -0.22 -3.33 0.00 0.00 175.10 171.96 1qwv s LEU 139 N 1.16 5.79 -0.23 2.54 2.96 -1.26 -5.00 118.68 124.64 1qwv s LEU 139 Ca -0.07 -2.01 -0.04 0.00 -0.22 0.00 0.00 54.13 51.80 1qwv s LEU 139 Cb -0.06 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.69 1qwv s LEU 139 CO -0.11 -0.69 0.16 0.00 -1.32 0.00 0.00 176.35 174.39 1qwv s ALA 140 N 1.23 0.21 -0.17 5.97 0.00 -1.26 -5.11 121.76 122.62 1qwv s ALA 140 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1qwv s ALA 140 Cb -0.25 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1qwv s ALA 140 CO -0.01 -1.40 -0.15 -2.00 0.00 0.00 0.00 175.76 172.20 1qwv s GLU 141 N 2.20 2.43 0.00 0.00 2.56 -1.26 -5.34 118.70 119.29 1qwv s GLU 141 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 54.97 54.34 1qwv s GLU 141 Cb -0.16 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.68 1qwv s GLU 141 CO -0.21 -0.27 0.00 0.28 -0.56 0.00 0.00 175.26 174.50