#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 0.11 -2.02 -3.28 132.00 128.21 1qwv h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qwv h PRO 2 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qwv h PRO 2 CO 0.00 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.69 1qwv h GLU 3 N 0.00 -0.02 -0.00 1.05 3.07 -1.94 -1.87 114.58 114.87 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 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1qwv h GLU 3 CO 0.00 -0.01 -0.33 1.51 -1.40 0.00 0.00 179.01 178.78 1qwv n ILE 4 N -2.88 0.00 0.17 3.13 0.13 -1.25 -3.80 119.36 114.87 1qwv n ILE 4 Ca -0.00 -0.02 0.05 0.00 -1.10 0.00 0.00 62.75 61.68 1qwv n ILE 4 Cb 0.02 0.06 0.23 0.00 -0.84 0.00 0.00 39.64 39.11 1qwv n ILE 4 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1qwv h MET 5 N 0.15 0.00 -4.15 9.51 2.86 -1.50 -3.35 114.93 118.45 1qwv h MET 5 Ca 0.00 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.88 1qwv h MET 5 Cb 0.49 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.91 1qwv h MET 5 CO 0.00 0.42 0.34 -1.59 1.06 0.00 0.00 176.91 177.14 1qwv s LYS 6 N -3.37 3.65 0.07 1.72 -2.85 -0.75 -5.03 119.74 113.18 1qwv s LYS 6 Ca 0.01 -2.33 -0.31 0.00 -1.00 0.00 0.00 55.97 52.35 1qwv s LYS 6 Cb 0.10 -4.58 -0.08 0.00 -2.06 0.00 0.00 37.83 31.21 1qwv s LYS 6 CO 0.70 -1.42 1.64 -0.80 0.10 0.00 0.00 175.35 175.57 1qwv s ASN 7 N 2.51 6.61 0.42 0.03 -0.87 -1.26 -4.88 114.94 117.51 1qwv s ASN 7 Ca 0.23 2.47 0.09 0.00 -1.57 0.00 0.00 52.86 54.08 1qwv s ASN 7 Cb -0.08 -2.56 0.91 0.00 -0.02 0.00 0.00 41.25 39.49 1qwv s ASN 7 CO -0.09 -0.88 2.05 -0.07 -2.57 0.00 0.00 177.10 175.54 1qwv h LEU 8 N 8.51 0.44 -1.07 0.60 3.38 -1.94 0.86 115.31 126.09 1qwv h LEU 8 Ca -0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1qwv h LEU 8 Cb 1.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1qwv h LEU 8 CO 0.93 0.31 0.36 -1.28 0.09 0.00 0.00 178.44 178.85 1qwv h SER 9 N 0.51 0.91 0.70 -0.43 0.87 -1.89 0.32 113.55 114.53 1qwv h SER 9 Ca 0.17 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1qwv h SER 9 Cb 0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1qwv h SER 9 CO -0.04 0.76 -0.79 -1.13 -0.53 0.00 0.00 176.83 175.10 1qwv h ASN 10 N 1.01 0.08 0.36 6.23 -1.24 -1.38 -2.30 115.58 118.35 1qwv h ASN 10 Ca 0.25 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1qwv h ASN 10 Cb 0.08 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1qwv h ASN 10 CO -0.04 0.84 -0.17 -1.13 -1.29 0.00 0.00 177.43 175.64 1qwv h ASN 11 N 0.04 -0.41 0.00 1.15 -0.73 -0.35 -3.34 115.58 111.94 1qwv h ASN 11 Ca -0.02 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.00 1qwv h ASN 11 Cb 1.39 0.11 0.00 0.00 0.27 0.00 0.00 38.32 40.08 1qwv h ASN 11 CO 0.11 -0.00 0.00 0.49 -0.37 0.00 0.00 177.43 177.66 1qwv n PHE 12 N -5.14 0.00 -2.92 0.67 3.72 0.05 -4.86 117.46 108.97 1qwv n PHE 12 Ca -0.09 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.11 1qwv n PHE 12 Cb 0.28 -0.25 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1qwv n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qwv n GLY 13 N -0.90 -0.50 0.21 1.37 0.00 -0.87 -4.88 105.19 99.63 1qwv n GLY 13 Ca 0.00 0.07 -0.12 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 -0.77 0.70 -1.69 1.61 3.64 -1.89 -3.38 116.57 114.79 1qwv h LYS 14 Ca -0.44 -0.31 -0.49 0.00 -1.27 0.00 0.00 60.65 58.15 1qwv h LYS 14 Cb 1.31 -0.02 -0.35 0.00 -0.41 0.00 0.00 32.23 32.75 1qwv h LYS 14 CO 0.51 0.91 -1.04 0.00 -2.27 0.00 0.00 179.45 177.56 1qwv n ALA 15 N -2.46 1.74 0.22 5.00 0.00 -1.26 -4.88 120.51 118.87 1qwv n ALA 15 Ca -0.03 -3.09 0.09 0.00 0.00 0.00 0.00 53.44 50.41 1qwv n ALA 15 Cb 0.39 -0.92 0.46 0.00 0.00 0.00 0.00 19.45 19.39 1qwv n ALA 15 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1qwv h MET 16 N 3.68 0.00 -0.53 0.00 2.86 -1.96 -2.67 114.93 116.31 1qwv h MET 16 Ca 0.05 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 1qwv h MET 16 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1qwv h MET 16 CO 0.44 0.26 0.37 0.22 1.06 0.00 0.00 176.91 179.26 1qwv h ASP 17 N 0.00 0.18 0.88 1.22 3.58 -1.93 -1.31 116.42 119.05 1qwv h ASP 17 Ca -0.00 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.31 1qwv h ASP 17 Cb 0.72 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1qwv h ASP 17 CO 0.03 0.11 -1.20 1.56 -2.88 0.00 0.00 179.24 176.86 1qwv h GLN 18 N 0.20 0.00 -0.15 0.28 4.20 -1.88 -2.25 115.11 115.51 1qwv h GLN 18 Ca 0.25 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.80 1qwv h GLN 18 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1qwv h GLN 18 CO -0.04 0.32 -0.57 0.00 -0.67 0.00 0.00 178.83 177.87 1qwv h LYS 20 N 0.36 -0.31 -0.13 0.00 3.11 -1.13 -1.64 116.57 116.83 1qwv h LYS 20 Ca 0.00 0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 57.67 1qwv h LYS 20 Cb 1.10 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1qwv h LYS 20 CO 0.10 -0.12 -0.71 0.22 -2.81 0.00 0.00 179.45 176.13 1qwv h ASP 21 N -0.43 0.67 -0.36 4.20 3.58 -1.47 0.54 116.42 123.15 1qwv h ASP 21 Ca -0.03 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 56.88 1qwv h ASP 21 Cb 0.33 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1qwv h ASP 21 CO 0.05 1.18 -0.20 -0.08 -2.88 0.00 0.00 179.24 177.31 1qwv h GLU 22 N 0.40 0.77 -0.01 0.28 4.81 -1.26 -2.65 114.58 116.92 1qwv h GLU 22 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1qwv h GLU 22 Cb 1.30 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1qwv h GLU 22 CO 0.13 0.97 -0.02 1.28 -0.73 0.00 0.00 179.01 180.64 1qwv n LEU 23 N -4.27 0.59 -2.66 1.64 4.77 -0.62 -4.89 117.00 111.54 1qwv n LEU 23 Ca -0.02 -0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.61 1qwv n LEU 23 Cb 0.43 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1qwv n LEU 23 CO 0.44 0.10 0.06 -0.24 -1.33 0.00 0.00 177.39 176.42 1qwv n SER 24 N -0.61 -5.41 -4.68 -1.43 2.88 -1.00 -4.89 113.62 98.47 1qwv n SER 24 Ca 0.20 -0.30 -0.55 0.00 -1.33 0.00 0.00 58.87 56.89 1qwv n SER 24 Cb 0.23 -4.18 -0.07 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 -3.60 2.55 -4.80 2.46 7.99 0.15 -4.96 117.00 116.79 1qwv n LEU 25 Ca -0.06 1.00 -0.33 0.00 -0.01 0.00 0.00 56.01 56.61 1qwv n LEU 25 Cb 0.59 -1.19 0.01 0.00 -0.11 0.00 0.00 43.42 42.72 1qwv n LEU 25 CO 0.43 -0.38 0.72 -2.84 -1.51 0.00 0.00 177.39 173.81 1qwv s PRO 26 N 3.91 3.33 0.45 3.23 0.02 -1.26 -4.90 135.00 139.78 1qwv s PRO 26 Ca 0.99 1.24 0.16 0.00 0.02 0.00 0.00 61.00 63.41 1qwv s PRO 26 Cb -0.99 -2.03 1.12 0.00 0.02 0.00 0.00 34.50 32.61 1qwv s PRO 26 CO 0.62 -0.80 1.98 0.38 -0.33 0.00 0.00 177.00 178.85 1qwv h ASP 27 N 0.54 0.29 0.22 2.53 3.04 -1.99 -2.55 116.42 118.48 1qwv h ASP 27 Ca -0.47 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 1qwv h ASP 27 Cb 1.22 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1qwv h ASP 27 CO 0.57 0.17 -0.10 0.28 -2.04 0.00 0.00 179.24 178.12 1qwv h SER 28 N 0.31 -0.24 0.03 4.15 0.02 -1.99 -2.34 113.55 113.49 1qwv h SER 28 Ca 0.28 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1qwv h SER 28 Cb 0.67 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1qwv h SER 28 CO -0.07 0.08 -0.02 0.58 -1.14 0.00 0.00 176.83 176.27 1qwv h VAL 29 N -0.59 1.32 -0.36 2.27 2.07 -1.90 -2.44 116.25 116.61 1qwv h VAL 29 Ca -0.03 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1qwv h VAL 29 Cb 0.43 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1qwv h VAL 29 CO 0.05 0.29 0.24 1.62 0.02 0.00 0.00 177.57 179.79 1qwv h VAL 30 N -0.56 1.07 0.08 2.57 3.04 -1.56 0.46 116.25 121.35 1qwv h VAL 30 Ca -0.00 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1qwv h VAL 30 Cb 0.52 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1qwv h VAL 30 CO 0.01 0.08 -0.04 0.00 -1.01 0.00 0.00 177.57 176.61 1qwv h ALA 31 N 1.78 -0.10 -0.13 3.17 0.00 -1.42 -2.65 119.26 119.91 1qwv h ALA 31 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1qwv h ALA 31 Cb -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qwv h ALA 31 CO -0.03 -0.39 -0.34 0.22 0.00 0.00 0.00 179.25 178.71 1qwv h ASP 32 N -0.45 0.27 -0.35 0.00 3.58 -0.88 -2.62 116.42 115.97 1qwv h ASP 32 Ca -0.01 -0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.41 1qwv h ASP 32 Cb 0.39 -0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.28 1qwv h ASP 32 CO 0.02 0.60 -0.36 0.25 -2.88 0.00 0.00 179.24 176.87 1qwv h LEU 33 N 0.23 -1.19 -0.34 2.28 5.85 -0.07 -0.97 115.31 121.10 1qwv h LEU 33 Ca 0.03 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1qwv h LEU 33 Cb 0.72 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1qwv h LEU 33 CO 0.05 -0.35 0.00 -1.22 -0.34 0.00 0.00 178.44 176.59 1qwv n TYR 34 N -5.42 0.00 -1.68 1.25 4.01 -0.99 -4.89 117.16 109.45 1qwv n TYR 34 Ca -0.00 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.24 1qwv n TYR 34 Cb 0.34 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.20 3.16 0.08 7.72 5.15 -0.37 -4.86 115.26 125.94 1qwv n ASN 35 Ca 0.00 1.01 -0.05 0.00 -0.60 0.00 0.00 54.58 54.94 1qwv n ASN 35 Cb 0.02 -1.34 0.12 0.00 -0.53 0.00 0.00 39.78 38.05 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 8.15 0.35 -3.92 1.20 3.57 -1.90 -3.45 116.94 120.94 1qwv h PHE 36 Ca -0.48 -0.13 -0.47 0.00 3.53 0.00 0.00 57.97 60.43 1qwv h PHE 36 Cb 1.28 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1qwv h PHE 36 CO 0.81 0.80 0.36 -1.58 -2.23 0.00 0.00 178.31 176.47 1qwv s TRP 37 N -3.79 3.56 -0.82 0.41 0.51 -1.26 -4.94 118.94 112.60 1qwv s TRP 37 Ca -0.04 1.73 -0.04 0.00 -2.12 0.00 0.00 56.10 55.62 1qwv s TRP 37 Cb 0.12 -2.96 0.09 0.00 -0.81 0.00 0.00 33.47 29.91 1qwv s TRP 37 CO 0.80 -0.00 2.60 1.63 -0.51 0.00 0.00 176.95 181.47 1qwv n LYS 38 N 0.28 3.36 -0.32 4.98 4.01 -1.26 -4.75 118.16 124.45 1qwv n LYS 38 Ca 0.03 -2.84 0.20 0.00 -0.51 0.00 0.00 58.31 55.19 1qwv n LYS 38 Cb 0.50 -2.35 0.40 0.00 -0.51 0.00 0.00 35.03 33.08 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 3.68 0.15 -5.00 4.39 3.58 -1.93 -3.47 116.42 117.81 1qwv h ASP 39 Ca 0.52 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.19 1qwv h ASP 39 Cb 0.54 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1qwv h ASP 39 CO 1.13 -0.23 -0.02 -0.67 -2.88 0.00 0.00 179.24 176.57 1qwv n ASP 40 N -5.22 -6.92 -4.93 2.28 2.03 -1.26 -5.05 116.55 97.48 1qwv n ASP 40 Ca 0.28 -0.04 -0.23 0.00 0.52 0.00 0.00 54.79 55.33 1qwv n ASP 40 Cb 0.90 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 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 -2.97 1.97 -0.14 -0.67 -0.85 -1.26 -5.09 117.35 108.33 1qwv s TYR 41 Ca 0.01 -0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 55.62 1qwv s TYR 41 Cb -0.00 -2.08 -0.02 0.00 0.38 0.00 0.00 41.96 40.24 1qwv s TYR 41 CO 0.64 -0.52 0.84 0.08 -1.52 0.00 0.00 175.55 175.07 1qwv s VAL 42 N -2.64 4.90 -0.82 -3.49 1.01 -1.26 -4.99 120.40 113.11 1qwv s VAL 42 Ca 0.46 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.85 1qwv s VAL 42 Cb -0.04 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1qwv s VAL 42 CO 0.28 0.07 1.47 -0.32 0.00 0.00 0.00 175.10 176.60 1qwv s MET 43 N 1.86 3.18 -0.21 2.72 1.75 -1.26 -4.71 119.30 122.63 1qwv s MET 43 Ca 0.40 -0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.47 1qwv s MET 43 Cb -0.17 -4.65 -0.15 0.00 2.84 0.00 0.00 34.83 32.70 1qwv s MET 43 CO 0.15 -2.36 -0.17 0.25 -0.65 0.00 0.00 175.02 172.24 1qwv n THR 44 N 6.78 1.23 -2.16 10.11 -2.24 -1.26 -4.91 114.28 121.83 1qwv n THR 44 Ca 0.18 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1qwv n THR 44 Cb 0.50 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 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 -6.00 6.79 0.18 3.42 -1.08 -1.26 -4.88 116.67 113.85 1qwv s ASP 45 Ca -0.27 2.19 0.10 0.00 -0.52 0.00 0.00 52.55 54.05 1qwv s ASP 45 Cb 0.07 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.88 1qwv s ASP 45 CO 0.51 -0.76 1.35 0.03 0.52 0.00 0.00 175.17 176.82 1qwv h ARG 46 N 8.00 0.00 0.00 4.34 -0.00 -1.92 -2.44 114.38 122.37 1qwv h ARG 46 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 1qwv h ARG 46 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 1qwv h ARG 46 CO 0.91 0.80 0.00 1.25 0.00 0.00 0.00 179.97 182.93 1qwv h LEU 47 N 0.00 0.00 0.08 3.04 5.85 -1.97 0.12 115.31 122.43 1qwv h LEU 47 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1qwv h LEU 47 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1qwv h LEU 47 CO 0.10 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 178.17 1qwv h ALA 48 N 2.05 -0.11 -0.90 1.25 0.00 -1.83 -2.48 119.26 117.24 1qwv h ALA 48 Ca 0.00 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1qwv h ALA 48 Cb 0.46 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 1qwv h ALA 48 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1qwv n GLY 49 N 1.51 -1.24 0.21 0.00 0.00 -1.13 -1.39 105.19 103.16 1qwv n GLY 49 Ca -0.01 0.88 -0.11 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 h ALA 51 N 0.85 1.10 -0.56 0.00 0.00 -0.74 -2.48 119.26 117.42 1qwv h ALA 51 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1qwv h ALA 51 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1qwv h ALA 51 CO 0.03 0.08 0.26 0.82 0.00 0.00 0.00 179.25 180.44 1qwv h ILE 52 N 0.00 1.19 -2.74 0.00 1.08 -1.00 -3.33 117.51 112.71 1qwv h ILE 52 Ca -0.00 -0.54 -0.61 0.00 -0.39 0.00 0.00 64.86 63.32 1qwv h ILE 52 Cb 0.38 0.48 -0.42 0.00 -3.07 0.00 0.00 36.82 34.20 1qwv h ILE 52 CO 0.01 0.22 -0.63 0.59 -0.69 0.00 0.00 178.15 177.66 1qwv n ASN 53 N -4.36 2.89 0.00 1.72 5.03 -0.93 -4.83 115.26 114.77 1qwv n ASN 53 Ca 0.05 -3.20 0.00 0.00 0.87 0.00 0.00 54.58 52.30 1qwv n ASN 53 Cb 0.13 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qwv h LEU 55 N 0.00 -0.43 0.00 0.00 6.46 -1.88 0.52 115.31 119.99 1qwv h LEU 55 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1qwv h LEU 55 Cb 0.74 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1qwv h LEU 55 CO 0.00 -0.27 -0.07 0.00 -0.62 0.00 0.00 178.44 177.48 1qwv n ALA 56 N -2.31 2.42 0.05 1.25 0.00 -1.26 -2.26 120.51 118.40 1qwv n ALA 56 Ca -0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1qwv n ALA 56 Cb 0.20 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 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 1.28 0.00 0.00 2.02 -1.83 -3.26 112.91 111.12 1qwv h THR 57 Ca 0.00 -2.97 -0.06 0.00 0.77 0.00 0.00 66.41 64.15 1qwv h THR 57 Cb 0.62 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1qwv h THR 57 CO 0.00 0.81 -0.26 0.11 0.37 0.00 0.00 175.52 176.54 1qwv h LYS 58 N 0.04 0.00 0.31 6.66 1.79 0.32 -3.33 116.57 122.35 1qwv h LYS 58 Ca -0.18 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1qwv h LYS 58 Cb 1.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.60 1qwv h LYS 58 CO 0.14 0.26 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.56 1qwv h LEU 59 N 0.00 -0.35 -6.47 2.94 3.38 -1.51 -3.48 115.31 109.82 1qwv h LEU 59 Ca -0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.20 1qwv h LEU 59 Cb 0.97 0.09 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 1qwv h LEU 59 CO 0.03 -0.22 0.57 -0.62 0.09 0.00 0.00 178.44 178.30 1qwv s ASP 60 N -2.97 -0.14 -0.01 -0.43 2.15 -1.23 -5.07 116.67 108.98 1qwv s ASP 60 Ca -0.06 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1qwv s ASP 60 Cb 0.01 1.12 0.01 0.00 -0.30 0.00 0.00 42.92 43.76 1qwv s ASP 60 CO 0.18 -0.03 0.30 0.55 -0.17 0.00 0.00 175.17 176.00 1qwv n VAL 61 N 4.05 0.00 -3.46 1.11 3.14 -1.26 -4.86 118.33 117.05 1qwv n VAL 61 Ca -0.11 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.83 1qwv n VAL 61 Cb 0.56 0.26 -0.10 0.00 -1.06 0.00 0.00 33.84 33.50 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 0.00 5.23 -0.01 1.55 -7.23 -1.26 -4.06 120.40 114.63 1qwv s VAL 62 Ca 0.00 -0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1qwv s VAL 62 Cb 0.01 -3.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.99 1qwv s VAL 62 CO -0.00 -0.12 1.08 -0.78 -0.31 0.00 0.00 175.10 174.96 1qwv h ASP 63 N 8.53 -0.43 0.00 4.85 1.82 -1.86 -3.47 116.42 125.85 1qwv h ASP 63 Ca -0.30 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1qwv h ASP 63 Cb 1.14 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1qwv h ASP 63 CO 0.68 -0.03 0.00 -0.81 -1.61 0.00 0.00 179.24 177.48 1qwv n PRO 64 N -5.16 2.79 0.00 0.28 -0.05 -1.26 -4.91 135.00 126.69 1qwv n PRO 64 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.43 1qwv n PRO 64 Cb 0.28 0.00 0.44 0.00 -0.05 0.00 0.00 33.50 34.17 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1qwv n ASP 65 N 0.00 0.00 0.00 3.54 9.92 -1.26 -4.82 116.55 123.92 1qwv n ASP 65 Ca 0.00 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1qwv n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.20 1.21 3.79 0.44 0.00 -1.26 -5.10 105.19 104.46 1qwv n GLY 66 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 3.38 -0.94 1.61 4.22 -1.26 -4.33 114.94 115.25 1qwv s ASN 67 Ca 0.00 0.90 0.00 0.00 -2.14 0.00 0.00 52.86 51.62 1qwv s ASN 67 Cb 0.00 -1.42 0.00 0.00 1.28 0.00 0.00 41.25 41.11 1qwv s ASN 67 CO 0.00 -2.63 0.00 0.18 -2.04 0.00 0.00 177.10 172.61 1qwv n LEU 68 N -3.80 -1.48 -4.57 3.54 7.99 -1.26 -4.46 117.00 112.95 1qwv n LEU 68 Ca 0.07 -0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.74 1qwv n LEU 68 Cb 0.59 -1.77 -0.04 0.00 -0.11 0.00 0.00 43.42 42.09 1qwv n LEU 68 CO 0.56 -0.12 1.67 0.00 -1.51 0.00 0.00 177.39 177.99 1qwv n HIS 69 N -3.98 3.36 -0.06 -1.77 1.44 -1.26 -4.62 115.22 108.32 1qwv n HIS 69 Ca -0.13 -1.92 -0.04 0.00 -2.01 0.00 0.00 57.72 53.62 1qwv n HIS 69 Cb 0.59 -2.63 -0.02 0.00 0.12 0.00 0.00 29.99 28.06 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 8.98 0.00 0.74 -1.40 2.07 -1.90 -3.36 115.15 120.27 1qwv h HIS 70 Ca 0.30 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.78 1qwv h HIS 70 Cb 0.91 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.90 1qwv h HIS 70 CO 1.28 0.14 -0.35 0.78 -3.07 0.00 0.00 177.93 176.71 1qwv h GLY 71 N -1.00 -1.03 0.58 6.13 0.00 -1.94 -2.64 103.07 103.16 1qwv h GLY 71 Ca -0.02 0.38 0.15 0.00 0.00 0.00 0.00 47.33 47.84 1qwv h GLY 71 CO -0.01 -0.38 0.55 -0.57 0.00 0.00 0.00 176.54 176.13 1qwv h ASN 72 N -1.12 0.55 -0.10 0.19 -0.73 -1.84 0.26 115.58 112.80 1qwv h ASN 72 Ca -0.10 0.03 -0.18 0.00 1.87 0.00 0.00 56.30 57.92 1qwv h ASN 72 Cb 0.76 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.27 1qwv h ASN 72 CO 0.17 0.28 -0.58 0.00 -0.37 0.00 0.00 177.43 176.93 1qwv h ALA 73 N 1.62 0.57 0.01 1.57 0.00 -1.68 0.29 119.26 121.64 1qwv h ALA 73 Ca 0.42 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1qwv h ALA 73 Cb 0.78 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1qwv h ALA 73 CO -0.17 0.69 -1.12 0.87 0.00 0.00 0.00 179.25 179.52 1qwv h LYS 74 N 0.53 0.02 -0.57 0.00 1.57 -0.98 -2.32 116.57 114.82 1qwv h LYS 74 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1qwv h LYS 74 Cb 1.16 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1qwv h LYS 74 CO 0.12 0.95 0.10 0.22 -0.57 0.00 0.00 179.45 180.27 1qwv h ASP 75 N 0.01 0.91 -0.52 0.86 3.58 -0.38 -2.17 116.42 118.70 1qwv h ASP 75 Ca -0.06 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 1qwv h ASP 75 Cb 1.82 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 42.60 1qwv h ASP 75 CO 0.13 0.93 0.22 -0.26 -2.88 0.00 0.00 179.24 177.38 1qwv h PHE 76 N 0.84 0.82 -0.37 0.28 0.04 -0.37 -2.15 116.94 116.03 1qwv h PHE 76 Ca 0.17 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.74 1qwv h PHE 76 Cb 0.41 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1qwv h PHE 76 CO 0.03 0.64 -0.39 0.00 -0.60 0.00 0.00 178.31 177.99 1qwv h ALA 77 N 1.43 0.55 0.00 2.45 0.00 -1.11 -2.08 119.26 120.50 1qwv h ALA 77 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qwv h ALA 77 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qwv h ALA 77 CO -0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1qwv n MET 78 N -4.07 0.25 0.08 0.00 -0.00 -0.84 -0.47 117.12 112.06 1qwv n MET 78 Ca -0.03 0.28 0.12 0.00 -0.00 0.00 0.00 57.70 58.07 1qwv n MET 78 Cb 0.55 -1.84 0.02 0.00 -0.00 0.00 0.00 33.22 31.95 1qwv n MET 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1qwv n LYS 79 N -2.28 0.52 -3.35 3.17 2.85 -0.83 -4.10 118.16 114.15 1qwv n LYS 79 Ca 0.04 0.08 -0.13 0.00 -1.05 0.00 0.00 58.31 57.26 1qwv n LYS 79 Cb 0.37 -1.76 -0.08 0.00 -0.65 0.00 0.00 35.03 32.91 1qwv n LYS 79 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1qwv s HIS 80 N -3.33 -0.74 0.00 5.58 -3.43 -0.80 -5.01 115.29 107.57 1qwv s HIS 80 Ca 0.00 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 1qwv s HIS 80 Cb 0.11 -0.30 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 1qwv s HIS 80 CO 0.79 -0.96 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 1qwv n GLY 81 N 5.28 1.93 3.87 -1.38 0.00 -1.04 -4.51 105.19 109.34 1qwv n GLY 81 Ca -0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.83 3.49 0.59 4.61 0.00 0.38 -4.44 121.76 125.56 1qwv s ALA 82 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1qwv s ALA 82 Cb 0.00 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1qwv s ALA 82 CO 0.00 0.45 0.87 0.16 0.00 0.00 0.00 175.76 177.24 1qwv s ASP 83 N -2.32 5.33 0.44 0.00 -4.77 -1.26 -3.73 116.67 110.36 1qwv s ASP 83 Ca 0.49 0.41 0.24 0.00 -3.30 0.00 0.00 52.55 50.39 1qwv s ASP 83 Cb -0.11 -1.32 0.87 0.00 -1.09 0.00 0.00 42.92 41.27 1qwv s ASP 83 CO 0.20 -1.18 1.80 1.05 0.70 0.00 0.00 175.17 177.74 1qwv h GLU 84 N -0.15 0.00 -0.07 2.11 -0.00 -1.96 0.12 114.58 114.63 1qwv h GLU 84 Ca -0.44 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 58.74 1qwv h GLU 84 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.03 1qwv h GLU 84 CO 0.58 0.21 -0.71 1.15 -0.00 0.00 0.00 179.01 180.24 1qwv h THR 85 N 0.00 1.39 0.06 -1.06 2.02 -1.94 0.14 112.91 113.51 1qwv h THR 85 Ca -0.00 -2.14 -0.19 0.00 0.77 0.00 0.00 66.41 64.85 1qwv h THR 85 Cb 0.79 2.11 0.02 0.00 -1.74 0.00 0.00 68.15 69.32 1qwv h THR 85 CO 0.03 0.64 -0.77 -0.03 0.37 0.00 0.00 175.52 175.75 1qwv h MET 86 N 0.24 0.43 -0.57 6.66 1.85 -1.48 -1.84 114.93 120.22 1qwv h MET 86 Ca -0.02 -0.53 -0.07 0.00 -0.61 0.00 0.00 59.70 58.46 1qwv h MET 86 Cb 1.27 0.17 -0.02 0.00 0.43 0.00 0.00 31.60 33.45 1qwv h MET 86 CO 0.12 1.19 0.09 0.00 -0.40 0.00 0.00 176.91 177.91 1qwv h ALA 87 N 0.25 0.76 0.00 0.39 0.00 -0.88 -1.95 119.26 117.83 1qwv h ALA 87 Ca -0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1qwv h ALA 87 Cb 1.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1qwv h ALA 87 CO 0.15 0.51 -0.29 1.96 0.00 0.00 0.00 179.25 181.58 1qwv h GLN 88 N 0.84 0.00 0.00 0.00 7.50 -0.94 0.53 115.11 123.04 1qwv h GLN 88 Ca 0.17 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.12 1qwv h GLN 88 Cb 0.42 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.92 1qwv h GLN 88 CO 0.01 0.29 -1.09 -0.56 -1.50 0.00 0.00 178.83 175.98 1qwv h GLN 89 N 0.00 0.00 0.02 1.46 3.07 -1.24 -3.28 115.11 115.14 1qwv h GLN 89 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.64 1qwv h GLN 89 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.25 1qwv h GLN 89 CO 0.04 0.77 -0.38 1.25 0.09 0.00 0.00 178.83 180.60 1qwv h LEU 90 N 0.00 0.30 -1.42 0.06 6.46 -0.50 -3.31 115.31 116.90 1qwv h LEU 90 Ca -0.08 -0.83 0.06 0.00 -0.12 0.00 0.00 57.88 56.92 1qwv h LEU 90 Cb 1.74 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.54 1qwv h LEU 90 CO 0.10 1.09 0.45 -0.37 -0.62 0.00 0.00 178.44 179.10 1qwv h VAL 91 N -0.46 1.02 -0.37 1.05 -1.51 -0.12 -1.79 116.25 114.06 1qwv h VAL 91 Ca -0.05 -0.25 -0.04 0.00 -1.23 0.00 0.00 66.70 65.13 1qwv h VAL 91 Cb 1.16 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1qwv h VAL 91 CO 0.07 0.13 0.06 -0.78 -1.23 0.00 0.00 177.57 175.82 1qwv h ASP 92 N 0.71 0.59 -0.73 4.19 3.58 -1.66 -0.85 116.42 122.25 1qwv h ASP 92 Ca 0.30 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1qwv h ASP 92 Cb 0.25 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1qwv h ASP 92 CO -0.09 0.70 0.48 0.40 -2.88 0.00 0.00 179.24 177.84 1qwv h ILE 93 N 0.46 1.19 -0.46 2.25 5.03 -1.51 -2.06 117.51 122.42 1qwv h ILE 93 Ca 0.11 -0.37 0.06 0.00 -0.12 0.00 0.00 64.86 64.55 1qwv h ILE 93 Cb 0.36 0.13 -0.06 0.00 -3.03 0.00 0.00 36.82 34.23 1qwv h ILE 93 CO 0.01 0.19 0.14 0.40 -0.68 0.00 0.00 178.15 178.21 1qwv h ILE 94 N 0.99 0.82 -0.08 -0.67 2.04 -0.74 0.03 117.51 119.90 1qwv h ILE 94 Ca 0.27 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1qwv h ILE 94 Cb -0.10 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1qwv h ILE 94 CO -0.06 0.05 -0.32 0.45 0.00 0.00 0.00 178.15 178.28 1qwv h HIS 95 N 0.30 0.17 0.00 1.37 3.86 -0.79 -0.30 115.15 119.76 1qwv h HIS 95 Ca 0.22 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1qwv h HIS 95 Cb 0.24 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1qwv h HIS 95 CO -0.18 0.46 -0.12 0.78 0.86 0.00 0.00 177.93 179.73 1qwv h GLY 96 N 1.04 0.00 1.77 2.45 0.00 -0.63 -2.14 103.07 105.57 1qwv h GLY 96 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1qwv h GLY 96 CO 0.05 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.87 1qwv h GLU 98 N 0.15 1.01 -0.72 0.00 4.57 -1.17 0.22 114.58 118.63 1qwv h GLU 98 Ca -0.02 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1qwv h GLU 98 Cb 1.27 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1qwv h GLU 98 CO 0.11 0.67 0.27 -0.22 -1.18 0.00 0.00 179.01 178.66 1qwv h LYS 99 N 1.04 1.09 -0.68 1.92 3.64 -0.90 -2.79 116.57 119.88 1qwv h LYS 99 Ca 0.37 -0.21 -0.21 0.00 -1.27 0.00 0.00 60.65 59.34 1qwv h LYS 99 Cb 0.14 -0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 31.67 1qwv h LYS 99 CO -0.13 0.91 0.24 0.43 -2.27 0.00 0.00 179.45 178.63 1qwv n SER 100 N -4.33 4.59 -4.88 4.20 7.64 -0.72 -4.97 113.62 115.16 1qwv n SER 100 Ca 0.06 -3.26 -0.31 0.00 1.01 0.00 0.00 58.87 56.37 1qwv n SER 100 Cb 0.19 -0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -3.01 3.46 0.82 -0.43 0.00 0.71 -4.99 121.76 118.32 1qwv s ALA 101 Ca 0.54 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1qwv s ALA 101 Cb 0.43 -2.55 0.09 0.00 0.00 0.00 0.00 23.12 21.09 1qwv s ALA 101 CO 0.12 0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.95 1qwv s PRO 102 N -3.41 1.84 -0.68 0.00 0.04 -1.26 -4.87 135.00 126.66 1qwv s PRO 102 Ca 0.49 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1qwv s PRO 102 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1qwv s PRO 102 CO 0.26 -1.89 1.91 -2.30 0.04 0.00 0.00 177.00 175.02 1qwv n PRO 103 N -3.67 1.63 -3.62 0.56 -0.02 -1.26 -4.83 135.00 123.79 1qwv n PRO 103 Ca 0.08 -1.20 -0.40 0.00 -2.02 0.00 0.00 63.50 59.96 1qwv n PRO 103 Cb 0.54 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 3.58 5.67 0.00 2.55 -0.87 -1.26 -4.96 114.94 119.65 1qwv s ASN 104 Ca 0.32 -0.72 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 1qwv s ASN 104 Cb 0.09 -2.03 0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1qwv s ASN 104 CO -0.02 -0.28 0.65 0.47 -2.57 0.00 0.00 177.10 175.34 1qwv n ASP 105 N 5.00 0.60 -4.55 -1.22 9.92 -1.26 -4.76 116.55 120.28 1qwv n ASP 105 Ca -0.13 -1.90 -0.42 0.00 -0.53 0.00 0.00 54.79 51.81 1qwv n ASP 105 Cb 0.48 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.59 1qwv n ASP 105 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qwv s ASP 106 N -0.42 6.38 0.22 -2.24 -1.08 -1.26 -4.96 116.67 113.31 1qwv s ASP 106 Ca 0.00 -0.08 -0.19 0.00 -0.52 0.00 0.00 52.55 51.76 1qwv s ASP 106 Cb 0.00 -2.33 0.20 0.00 -1.46 0.00 0.00 42.92 39.33 1qwv s ASP 106 CO 0.00 -0.71 1.56 0.11 0.52 0.00 0.00 175.17 176.65 1qwv h LYS 107 N 8.70 -0.04 0.00 4.34 6.56 -2.02 -1.76 116.57 132.35 1qwv h LYS 107 Ca -0.26 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.29 1qwv h LYS 107 Cb 1.10 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.76 1qwv h LYS 107 CO 0.88 -0.03 -0.50 0.00 -2.06 0.00 0.00 179.45 177.74 1qwv h MET 109 N 0.00 0.66 -0.05 0.00 2.86 -1.68 -2.23 114.93 114.49 1qwv h MET 109 Ca -0.02 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1qwv h MET 109 Cb 1.16 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1qwv h MET 109 CO 0.02 0.61 0.00 1.57 1.06 0.00 0.00 176.91 180.17 1qwv h LYS 110 N 0.56 0.08 0.00 1.72 2.10 -1.54 -1.43 116.57 118.06 1qwv h LYS 110 Ca 0.14 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1qwv h LYS 110 Cb 0.20 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1qwv h LYS 110 CO -0.01 0.36 0.08 -2.37 -2.00 0.00 0.00 179.45 175.51 1qwv n THR 111 N -4.89 1.09 -0.02 0.07 5.66 -1.19 -2.05 114.28 112.96 1qwv n THR 111 Ca -0.07 0.69 -0.21 0.00 -3.05 0.00 0.00 64.05 61.41 1qwv n THR 111 Cb 0.18 -1.69 -0.13 0.00 -1.55 0.00 0.00 70.33 67.14 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 -2.04 1.73 0.01 1.09 -0.00 -0.60 -2.08 119.36 117.46 1qwv n ILE 112 Ca -0.01 -0.56 0.01 0.00 -0.00 0.00 0.00 62.75 62.19 1qwv n ILE 112 Cb 0.11 -1.76 0.33 0.00 -0.00 0.00 0.00 39.64 38.32 1qwv n ILE 112 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1qwv h ASP 113 N -0.10 0.46 0.53 4.38 3.04 -0.80 0.48 116.42 124.41 1qwv h ASP 113 Ca -0.43 -0.07 -0.29 0.00 -3.24 0.00 0.00 57.03 53.00 1qwv h ASP 113 Cb 1.92 -0.12 0.01 0.00 -1.04 0.00 0.00 39.33 40.10 1qwv h ASP 113 CO 0.03 0.49 -1.31 -0.37 -2.04 0.00 0.00 179.24 176.04 1qwv h VAL 114 N 0.49 1.44 0.05 4.15 -1.51 -1.56 -2.01 116.25 117.30 1qwv h VAL 114 Ca 0.11 -2.96 -0.00 0.00 -1.23 0.00 0.00 66.70 62.62 1qwv h VAL 114 Cb 0.24 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 1qwv h VAL 114 CO 0.00 0.87 -0.02 0.00 -1.23 0.00 0.00 177.57 177.19 1qwv h ALA 115 N 0.46 -0.06 0.00 5.19 0.00 -1.05 -1.12 119.26 122.69 1qwv h ALA 115 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qwv h ALA 115 Cb 2.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1qwv h ALA 115 CO 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1qwv h MET 116 N -0.14 0.00 -0.01 0.00 -0.00 -1.00 -0.65 114.93 113.13 1qwv h MET 116 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.56 1qwv h MET 116 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.70 1qwv h MET 116 CO 0.01 0.00 -0.60 0.00 -0.00 0.00 0.00 176.91 176.32 1qwv h PHE 118 N 0.04 0.56 0.00 0.00 3.57 0.08 -2.56 116.94 118.63 1qwv h PHE 118 Ca -0.01 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 1qwv h PHE 118 Cb 1.06 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1qwv h PHE 118 CO 0.00 0.94 -0.45 -0.22 -2.23 0.00 0.00 178.31 176.36 1qwv h LYS 119 N 0.03 0.00 0.11 1.11 3.11 -1.48 -0.73 116.57 118.72 1qwv h LYS 119 Ca -0.00 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1qwv h LYS 119 Cb 0.93 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.12 1qwv h LYS 119 CO 0.07 0.45 -0.35 -0.22 -2.81 0.00 0.00 179.45 176.58 1qwv h LYS 120 N 0.00 -0.56 0.03 1.90 1.63 -1.35 0.35 116.57 118.57 1qwv h LYS 120 Ca -0.00 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1qwv h LYS 120 Cb 0.83 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1qwv h LYS 120 CO 0.06 -0.37 -0.07 0.93 -3.45 0.00 0.00 179.45 176.55 1qwv h GLU 121 N -0.58 -0.13 -0.48 1.90 4.39 -1.18 -0.82 114.58 117.68 1qwv h GLU 121 Ca 0.03 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1qwv h GLU 121 Cb 0.61 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1qwv h GLU 121 CO -0.21 -0.09 0.33 0.97 -1.16 0.00 0.00 179.01 178.85 1qwv h ILE 122 N -0.13 0.92 -0.05 3.13 -0.00 -1.04 0.22 117.51 120.56 1qwv h ILE 122 Ca 0.02 -0.11 -0.14 0.00 -0.00 0.00 0.00 64.86 64.63 1qwv h ILE 122 Cb 0.15 0.57 -0.01 0.00 -0.00 0.00 0.00 36.82 37.52 1qwv h ILE 122 CO -0.05 0.06 -0.60 0.45 -0.00 0.00 0.00 178.15 178.00 1qwv h HIS 123 N 0.33 0.21 0.12 2.19 3.86 -0.39 -3.17 115.15 118.31 1qwv h HIS 123 Ca 0.22 -0.08 -0.28 0.00 -1.16 0.00 0.00 60.37 59.07 1qwv h HIS 123 Cb 0.43 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.87 1qwv h HIS 123 CO -0.00 0.72 -1.22 -0.22 0.86 0.00 0.00 177.93 178.07 1qwv h LYS 124 N 0.12 0.36 0.00 2.45 3.64 0.72 -3.19 116.57 120.67 1qwv h LYS 124 Ca -0.01 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1qwv h LYS 124 Cb 1.09 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1qwv h LYS 124 CO 0.09 1.24 0.00 1.37 -2.27 0.00 0.00 179.45 179.88 1qwv h LEU 125 N 0.13 0.00 0.24 5.20 8.10 -0.79 -1.27 115.31 126.92 1qwv h LEU 125 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1qwv h LEU 125 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.12 1qwv h LEU 125 CO 0.21 0.00 -0.25 0.78 -4.11 0.00 0.00 178.44 175.06 1qwv h ASN 126 N 0.00 -0.69 -0.34 0.17 2.35 -1.53 -3.16 115.58 112.38 1qwv h ASN 126 Ca 0.00 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1qwv h ASN 126 Cb 0.47 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 38.99 1qwv h ASN 126 CO 0.00 -0.37 -0.03 -2.67 -1.65 0.00 0.00 177.43 172.71 1qwv n TRP 127 N -5.38 1.09 -1.27 1.19 4.27 -1.20 -5.04 117.44 111.10 1qwv n TRP 127 Ca -0.08 -1.42 -0.58 0.00 -3.89 0.00 0.00 57.50 51.52 1qwv n TRP 127 Cb 0.29 -0.46 -0.12 0.00 -1.36 0.00 0.00 31.31 29.66 1qwv n TRP 127 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 1qwv n VAL 128 N -0.99 0.00 0.09 -1.67 3.14 -0.48 -4.83 118.33 113.59 1qwv n VAL 128 Ca 0.31 -0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.80 1qwv n VAL 128 Cb 1.01 -0.50 -0.06 0.00 -1.06 0.00 0.00 33.84 33.23 1qwv n VAL 128 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1qwv n PRO 129 N 7.59 0.60 -2.95 1.45 -0.04 -1.26 -4.79 135.00 135.60 1qwv n PRO 129 Ca 0.56 -0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.57 1qwv n PRO 129 Cb -0.03 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1qwv n PRO 129 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1qwv s ASN 130 N -4.94 6.43 -0.13 3.54 3.84 -1.26 -4.68 114.94 117.73 1qwv s ASN 130 Ca -0.03 -1.66 0.17 0.00 0.21 0.00 0.00 52.86 51.55 1qwv s ASN 130 Cb 0.12 -2.38 0.30 0.00 -0.55 0.00 0.00 41.25 38.73 1qwv s ASN 130 CO 0.84 -1.17 1.15 0.23 -2.79 0.00 0.00 177.10 175.36 1qwv n MET 131 N 6.76 1.25 -3.89 0.43 2.81 -1.26 -5.02 117.12 118.20 1qwv n MET 131 Ca 0.10 -2.60 -0.35 0.00 -1.81 0.00 0.00 57.70 53.04 1qwv n MET 131 Cb 0.47 -1.46 -0.14 0.00 -0.71 0.00 0.00 33.22 31.38 1qwv n MET 131 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1qwv s ASP 132 N -2.83 4.38 -0.30 7.83 2.15 -1.26 -5.05 116.67 121.58 1qwv s ASP 132 Ca 0.31 -0.38 -0.02 0.00 0.43 0.00 0.00 52.55 52.89 1qwv s ASP 132 Cb 0.28 -1.76 0.18 0.00 -0.30 0.00 0.00 42.92 41.33 1qwv s ASP 132 CO 0.01 -0.02 0.61 -0.22 -0.17 0.00 0.00 175.17 175.38 1qwv s LEU 133 N 1.49 -1.35 -0.62 -1.34 2.96 -1.26 -5.11 118.68 113.45 1qwv s LEU 133 Ca 0.06 0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 54.71 1qwv s LEU 133 Cb -0.14 2.18 0.06 0.00 0.50 0.00 0.00 46.19 48.79 1qwv s LEU 133 CO -0.03 -0.25 0.97 0.54 -1.32 0.00 0.00 176.35 176.26 1qwv s VAL 134 N 2.87 4.32 -0.29 1.68 0.11 -1.26 -5.01 120.40 122.82 1qwv s VAL 134 Ca 0.17 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 1qwv s VAL 134 Cb -0.15 -4.63 -0.04 0.00 -1.53 0.00 0.00 36.38 30.03 1qwv s VAL 134 CO -0.21 -1.33 0.27 0.27 -3.33 0.00 0.00 175.10 170.77 1qwv s ILE 135 N 4.10 5.25 0.00 7.04 -0.00 -1.26 -5.03 121.20 131.30 1qwv s ILE 135 Ca 0.26 0.23 0.00 0.00 -0.00 0.00 0.00 60.65 61.14 1qwv s ILE 135 Cb -0.15 -3.63 0.00 0.00 -0.00 0.00 0.00 42.46 38.68 1qwv s ILE 135 CO 0.14 0.15 0.00 0.61 -0.00 0.00 0.00 174.94 175.85 1qwv n GLY 136 N 4.94 1.92 3.54 6.27 0.00 -1.26 -5.18 105.19 115.43 1qwv n GLY 136 Ca -0.12 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.33 1.93 -0.32 1.61 2.12 -1.26 -5.11 118.70 116.34 1qwv s GLU 137 Ca 0.00 -2.17 -0.25 0.00 0.36 0.00 0.00 54.97 52.91 1qwv s GLU 137 Cb 0.00 -0.78 0.01 0.00 0.26 0.00 0.00 34.13 33.61 1qwv s GLU 137 CO 0.00 -0.42 0.86 0.14 -0.54 0.00 0.00 175.26 175.30 1qwv s VAL 138 N -3.17 4.71 -0.87 3.70 -7.23 -1.26 -4.97 120.40 111.31 1qwv s VAL 138 Ca 0.23 1.27 -0.25 0.00 -1.81 0.00 0.00 61.98 61.43 1qwv s VAL 138 Cb 0.03 -4.23 -0.00 0.00 0.56 0.00 0.00 36.38 32.74 1qwv s VAL 138 CO 0.13 -0.34 1.70 -0.76 -0.31 0.00 0.00 175.10 175.52 1qwv s LEU 139 N 3.16 3.29 0.64 1.32 1.02 -1.26 -4.97 118.68 121.88 1qwv s LEU 139 Ca 0.36 -0.73 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 1qwv s LEU 139 Cb -0.13 -2.56 0.05 0.00 0.02 0.00 0.00 46.19 43.57 1qwv s LEU 139 CO 0.14 -2.19 0.92 0.00 0.02 0.00 0.00 176.35 175.24 1qwv s ALA 140 N 7.79 3.44 0.11 4.21 0.00 -1.26 -5.09 121.76 130.97 1qwv s ALA 140 Ca 0.58 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1qwv s ALA 140 Cb -0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1qwv s ALA 140 CO 0.02 -1.06 0.23 -2.00 0.00 0.00 0.00 175.76 172.94 1qwv s GLU 141 N -5.05 3.36 0.00 0.00 2.56 -1.26 -5.32 118.70 112.98 1qwv s GLU 141 Ca 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1qwv s GLU 141 Cb -0.11 -2.95 0.00 0.00 2.00 0.00 0.00 34.13 33.07 1qwv s GLU 141 CO 0.42 0.55 0.00 1.55 -0.56 0.00 0.00 175.26 177.23