#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 -2.94 132.00 128.56 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 -0.02 0.93 -0.21 0.00 0.00 178.00 178.70 1qwv h GLU 3 N 0.00 -0.02 -0.00 1.05 3.07 -1.95 -2.23 114.58 114.50 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 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1qwv h GLU 3 CO 0.00 -0.01 -0.34 1.51 -1.40 0.00 0.00 179.01 178.77 1qwv n ILE 4 N -2.82 0.00 -0.07 3.13 0.13 -1.23 -4.10 119.36 114.40 1qwv n ILE 4 Ca -0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 62.75 61.60 1qwv n ILE 4 Cb 0.01 0.05 0.19 0.00 -0.84 0.00 0.00 39.64 39.06 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 2.80 0.00 0.00 176.55 179.32 1qwv h MET 5 N 0.09 0.69 -5.56 9.51 4.05 -1.24 -3.36 114.93 119.11 1qwv h MET 5 Ca 0.00 -0.19 -0.62 0.00 -0.28 0.00 0.00 59.70 58.60 1qwv h MET 5 Cb 0.49 -0.08 -0.14 0.00 -0.80 0.00 0.00 31.60 31.08 1qwv h MET 5 CO 0.00 0.74 0.75 0.15 0.23 0.00 0.00 176.91 178.78 1qwv s LYS 6 N -4.88 3.25 0.34 0.39 1.02 -0.89 -5.01 119.74 113.97 1qwv s LYS 6 Ca -0.09 -0.93 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 1qwv s LYS 6 Cb 0.15 -4.43 -0.10 0.00 -0.52 0.00 0.00 37.83 32.92 1qwv s LYS 6 CO 0.80 -1.89 1.29 -0.80 -0.92 0.00 0.00 175.35 173.83 1qwv s ASN 7 N 3.79 6.71 0.28 2.83 -0.87 -1.26 -4.92 114.94 121.51 1qwv s ASN 7 Ca 0.28 2.64 -0.02 0.00 -1.57 0.00 0.00 52.86 54.18 1qwv s ASN 7 Cb -0.12 -2.64 0.42 0.00 -0.02 0.00 0.00 41.25 38.89 1qwv s ASN 7 CO 0.06 -0.57 1.93 -0.07 -2.57 0.00 0.00 177.10 175.88 1qwv h LEU 8 N 3.24 1.00 -1.42 0.60 4.07 -1.93 -1.31 115.31 119.55 1qwv h LEU 8 Ca -0.49 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.50 1qwv h LEU 8 Cb 1.23 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 1qwv h LEU 8 CO 0.65 0.69 0.43 0.28 -1.08 0.00 0.00 178.44 179.40 1qwv h SER 9 N 1.16 0.64 0.47 -0.43 0.02 -1.91 0.31 113.55 113.81 1qwv h SER 9 Ca 0.36 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.11 1qwv h SER 9 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1qwv h SER 9 CO -0.11 0.43 -0.85 -1.13 -1.14 0.00 0.00 176.83 174.03 1qwv h ASN 10 N 0.74 0.35 0.37 3.07 -0.73 -1.65 -1.94 115.58 115.79 1qwv h ASN 10 Ca 0.27 -0.27 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1qwv h ASN 10 Cb 0.13 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1qwv h ASN 10 CO -0.08 1.05 -0.18 0.78 -0.37 0.00 0.00 177.43 178.63 1qwv h ASN 11 N 0.16 -0.43 0.00 1.15 4.21 -0.43 -3.38 115.58 116.87 1qwv h ASN 11 Ca -0.05 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.33 1qwv h ASN 11 Cb 1.47 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.78 1qwv h ASN 11 CO 0.14 -0.01 0.00 0.49 -1.29 0.00 0.00 177.43 176.76 1qwv n PHE 12 N -5.14 0.00 -3.42 1.19 3.72 0.10 -4.89 117.46 109.02 1qwv n PHE 12 Ca -0.09 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.06 1qwv n PHE 12 Cb 0.28 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.78 -0.51 0.14 1.37 0.00 -0.73 -4.90 105.19 99.79 1qwv n GLY 13 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.53 0.39 -1.41 1.61 3.64 -1.90 -3.41 116.57 113.96 1qwv h LYS 14 Ca -0.51 -0.67 -0.41 0.00 -1.27 0.00 0.00 60.65 57.78 1qwv h LYS 14 Cb 1.34 0.25 -0.33 0.00 -0.41 0.00 0.00 32.23 33.08 1qwv h LYS 14 CO 0.58 1.32 -0.99 0.00 -2.27 0.00 0.00 179.45 178.10 1qwv n ALA 15 N -2.86 1.33 -0.10 5.00 0.00 -1.26 -4.94 120.51 117.67 1qwv n ALA 15 Ca -0.24 -2.85 -0.13 0.00 0.00 0.00 0.00 53.44 50.21 1qwv n ALA 15 Cb 1.06 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1qwv n ALA 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1qwv h MET 16 N 2.98 0.91 -0.01 0.00 4.05 -1.97 -2.99 114.93 117.91 1qwv h MET 16 Ca 0.03 -0.50 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1qwv h MET 16 Cb 1.02 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1qwv h MET 16 CO 0.40 1.15 -0.05 0.22 0.23 0.00 0.00 176.91 178.85 1qwv h ASP 17 N 0.73 0.02 1.09 1.39 3.58 -1.96 -1.37 116.42 119.90 1qwv h ASP 17 Ca 0.05 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1qwv h ASP 17 Cb 1.02 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 1qwv h ASP 17 CO 0.10 0.07 -0.92 1.56 -2.88 0.00 0.00 179.24 177.18 1qwv h GLN 18 N 0.02 0.00 -0.01 0.28 4.20 -1.94 -1.51 115.11 116.15 1qwv h GLN 18 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1qwv h GLN 18 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1qwv h GLN 18 CO 0.01 0.03 -0.81 0.00 -0.67 0.00 0.00 178.83 177.38 1qwv h LYS 20 N 0.11 0.27 -0.16 0.00 1.63 -1.12 -2.45 116.57 114.85 1qwv h LYS 20 Ca -0.03 -0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.54 1qwv h LYS 20 Cb 1.42 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1qwv h LYS 20 CO 0.12 0.24 -0.70 0.22 -3.45 0.00 0.00 179.45 175.89 1qwv h ASP 21 N 0.22 0.79 -0.78 4.20 3.58 -1.30 -0.00 116.42 123.12 1qwv h ASP 21 Ca 0.07 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1qwv h ASP 21 Cb 0.05 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 1qwv h ASP 21 CO -0.01 1.26 0.46 -0.08 -2.88 0.00 0.00 179.24 177.98 1qwv h GLU 22 N 0.48 1.07 0.00 0.28 4.57 -1.15 -1.28 114.58 118.55 1qwv h GLU 22 Ca -0.03 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1qwv h GLU 22 Cb 1.30 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1qwv h GLU 22 CO 0.14 0.77 -0.36 1.28 -1.18 0.00 0.00 179.01 179.65 1qwv n LEU 23 N -4.47 0.40 -3.69 1.64 4.77 -0.93 -4.92 117.00 109.81 1qwv n LEU 23 Ca 0.07 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 56.00 1qwv n LEU 23 Cb 0.07 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1qwv n LEU 23 CO 0.37 0.05 0.17 -0.24 -1.33 0.00 0.00 177.39 176.42 1qwv n SER 24 N -1.62 -5.15 -4.69 -1.43 2.88 -0.49 -4.83 113.62 98.29 1qwv n SER 24 Ca 0.06 -0.64 -0.53 0.00 -1.33 0.00 0.00 58.87 56.42 1qwv n SER 24 Cb 0.35 -4.63 -0.06 0.00 -0.75 0.00 0.00 64.21 59.12 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 -4.78 2.88 -4.79 2.46 4.77 -0.10 -4.95 117.00 112.48 1qwv n LEU 25 Ca -0.03 1.02 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 1qwv n LEU 25 Cb 0.57 -1.25 0.05 0.00 -2.33 0.00 0.00 43.42 40.46 1qwv n LEU 25 CO 0.68 -0.26 0.71 -2.84 -1.33 0.00 0.00 177.39 174.36 1qwv s PRO 26 N 3.88 2.78 0.47 3.23 0.02 -1.26 -4.85 135.00 139.27 1qwv s PRO 26 Ca 0.96 1.16 0.21 0.00 0.02 0.00 0.00 61.00 63.35 1qwv s PRO 26 Cb -0.90 -1.96 1.17 0.00 0.02 0.00 0.00 34.50 32.83 1qwv s PRO 26 CO 0.59 -1.24 2.00 0.38 -0.33 0.00 0.00 177.00 178.40 1qwv h ASP 27 N -0.46 0.00 -0.42 2.53 2.03 -1.99 -0.92 116.42 117.19 1qwv h ASP 27 Ca -0.45 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.71 1qwv h ASP 27 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 1qwv h ASP 27 CO 0.55 0.19 -0.29 0.28 -1.03 0.00 0.00 179.24 178.94 1qwv h SER 28 N 0.00 0.99 -0.12 4.15 0.02 -1.99 -1.71 113.55 114.89 1qwv h SER 28 Ca -0.00 -0.41 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 1qwv h SER 28 Cb 0.40 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1qwv h SER 28 CO 0.02 1.20 -0.36 0.58 -1.14 0.00 0.00 176.83 177.13 1qwv h VAL 29 N 0.80 1.37 -0.18 2.27 2.07 -1.66 -2.46 116.25 118.46 1qwv h VAL 29 Ca 0.09 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1qwv h VAL 29 Cb 0.87 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1qwv h VAL 29 CO 0.08 0.50 0.12 -0.37 0.02 0.00 0.00 177.57 177.92 1qwv h VAL 30 N 0.06 1.04 0.17 2.57 -1.51 -1.25 -0.59 116.25 116.74 1qwv h VAL 30 Ca -0.01 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1qwv h VAL 30 Cb 0.98 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1qwv h VAL 30 CO 0.08 0.04 -0.08 0.00 -1.23 0.00 0.00 177.57 176.38 1qwv h ALA 31 N 1.89 -0.22 -0.35 5.19 0.00 -1.02 0.99 119.26 125.74 1qwv h ALA 31 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1qwv h ALA 31 Cb -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qwv h ALA 31 CO -0.01 -0.51 -0.21 -0.44 0.00 0.00 0.00 179.25 178.07 1qwv h ASP 32 N -0.46 0.67 0.22 0.00 3.32 -1.28 -3.06 116.42 115.84 1qwv h ASP 32 Ca -0.02 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1qwv h ASP 32 Cb 0.35 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1qwv h ASP 32 CO 0.04 0.87 -0.38 0.25 -1.72 0.00 0.00 179.24 178.30 1qwv h LEU 33 N 0.59 -1.08 -0.06 1.55 5.85 -0.95 -2.38 115.31 118.83 1qwv h LEU 33 Ca 0.09 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1qwv h LEU 33 Cb 0.68 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1qwv h LEU 33 CO 0.05 -0.49 0.00 -1.22 -0.34 0.00 0.00 178.44 176.44 1qwv n TYR 34 N -5.46 0.00 -1.88 1.25 4.01 0.33 -4.79 117.16 110.62 1qwv n TYR 34 Ca -0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.26 1qwv n TYR 34 Cb 0.37 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1qwv n TYR 34 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qwv s ASN 35 N -1.49 5.28 0.26 7.72 2.47 -0.90 -4.81 114.94 123.47 1qwv s ASN 35 Ca 0.00 0.93 0.06 0.00 0.42 0.00 0.00 52.86 54.26 1qwv s ASN 35 Cb 0.00 -2.52 0.33 0.00 -1.45 0.00 0.00 41.25 37.61 1qwv s ASN 35 CO 0.00 -2.26 1.61 0.15 -3.72 0.00 0.00 177.10 172.88 1qwv h PHE 36 N 15.39 0.27 -2.90 0.43 3.57 -1.91 -3.40 116.94 128.40 1qwv h PHE 36 Ca -0.29 -0.09 -0.65 0.00 3.53 0.00 0.00 57.97 60.47 1qwv h PHE 36 Cb 1.19 -0.05 -0.16 0.00 2.79 0.00 0.00 35.95 39.73 1qwv h PHE 36 CO 0.99 0.71 0.37 -1.58 -2.23 0.00 0.00 178.31 176.57 1qwv s TRP 37 N -3.87 2.82 -1.21 0.41 0.51 -1.26 -4.95 118.94 111.39 1qwv s TRP 37 Ca -0.04 -0.55 -0.21 0.00 -2.12 0.00 0.00 56.10 53.18 1qwv s TRP 37 Cb 0.12 -4.07 -0.05 0.00 -0.81 0.00 0.00 33.47 28.67 1qwv s TRP 37 CO 0.79 -1.42 1.88 1.63 -0.51 0.00 0.00 176.95 179.32 1qwv n LYS 38 N 7.12 2.05 0.00 4.98 4.01 -1.26 -4.77 118.16 130.28 1qwv n LYS 38 Ca -0.05 -2.68 0.00 0.00 -0.51 0.00 0.00 58.31 55.07 1qwv n LYS 38 Cb 0.45 -3.65 0.00 0.00 -0.51 0.00 0.00 35.03 31.32 1qwv n LYS 38 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1qwv n ASP 39 N 12.55 0.06 -3.04 4.39 2.03 -1.26 -4.78 116.55 126.49 1qwv n ASP 39 Ca 0.46 -0.38 -0.01 0.00 0.52 0.00 0.00 54.79 55.38 1qwv n ASP 39 Cb 0.46 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1qwv n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1qwv n ASP 40 N -0.24 -7.82 -4.80 1.67 2.03 -1.26 -5.07 116.55 101.07 1qwv n ASP 40 Ca 0.00 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.00 1qwv n ASP 40 Cb 0.01 -5.32 -0.05 0.00 -0.72 0.00 0.00 41.12 35.04 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 -0.22 -0.67 1.13 -1.26 -5.13 117.35 110.20 1qwv s TYR 41 Ca 0.02 -0.83 -0.05 0.00 -1.41 0.00 0.00 57.07 54.80 1qwv s TYR 41 Cb -0.01 -1.79 -0.02 0.00 -1.10 0.00 0.00 41.96 39.05 1qwv s TYR 41 CO 0.75 0.00 0.01 0.08 -2.51 0.00 0.00 175.55 173.88 1qwv s VAL 42 N -2.78 3.87 -0.69 -3.49 1.01 -1.26 -5.05 120.40 112.01 1qwv s VAL 42 Ca 0.23 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1qwv s VAL 42 Cb 0.01 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1qwv s VAL 42 CO 0.13 0.40 1.40 -0.32 0.00 0.00 0.00 175.10 176.71 1qwv s MET 43 N 1.36 3.10 -0.11 2.72 1.75 -1.26 -4.80 119.30 122.06 1qwv s MET 43 Ca 0.04 0.00 0.15 0.00 -1.25 0.00 0.00 55.69 54.64 1qwv s MET 43 Cb -0.15 -4.21 -0.24 0.00 2.84 0.00 0.00 34.83 33.08 1qwv s MET 43 CO 0.01 -2.23 0.42 0.25 -0.65 0.00 0.00 175.02 172.82 1qwv n THR 44 N 6.59 1.51 -2.53 10.11 -2.24 -1.26 -4.83 114.28 121.63 1qwv n THR 44 Ca 0.07 -0.82 -0.43 0.00 -2.27 0.00 0.00 64.05 60.60 1qwv n THR 44 Cb 0.50 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 -5.84 6.78 0.39 3.42 -1.08 -1.26 -4.89 116.67 114.19 1qwv s ASP 45 Ca -0.07 1.06 0.09 0.00 -0.52 0.00 0.00 52.55 53.11 1qwv s ASP 45 Cb 0.07 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.84 1qwv s ASP 45 CO 0.83 -1.02 1.97 0.08 0.52 0.00 0.00 175.17 177.55 1qwv h ARG 46 N 8.79 0.60 0.00 4.34 -0.00 -1.88 -2.31 114.38 123.92 1qwv h ARG 46 Ca -0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 1qwv h ARG 46 Cb 1.08 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1qwv h ARG 46 CO 1.04 0.40 0.00 1.25 -0.00 0.00 0.00 179.97 182.66 1qwv h LEU 47 N 0.62 0.00 0.00 0.08 5.85 -1.96 0.51 115.31 120.41 1qwv h LEU 47 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1qwv h LEU 47 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1qwv h LEU 47 CO -0.09 0.00 -0.13 0.00 -0.34 0.00 0.00 178.44 177.88 1qwv h ALA 48 N 2.05 0.00 -0.95 1.25 0.00 -1.75 -2.62 119.26 117.24 1qwv h ALA 48 Ca 0.00 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.05 1qwv h ALA 48 Cb 0.22 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 17.96 1qwv h ALA 48 CO 0.00 0.13 0.09 0.41 0.00 0.00 0.00 179.25 179.88 1qwv n GLY 49 N 1.76 -1.22 0.26 0.00 0.00 -1.03 -1.03 105.19 103.93 1qwv n GLY 49 Ca -0.02 0.91 -0.08 0.00 0.00 0.00 0.00 46.02 46.83 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 1.02 1.31 -0.09 0.00 0.00 -0.68 -1.33 119.26 119.49 1qwv h ALA 51 Ca 0.17 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1qwv h ALA 51 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qwv h ALA 51 CO -0.00 0.15 -0.73 0.82 0.00 0.00 0.00 179.25 179.50 1qwv h ILE 52 N 0.00 1.37 -1.39 0.00 2.04 -0.94 -3.29 117.51 115.29 1qwv h ILE 52 Ca -0.00 -2.11 -0.69 0.00 1.00 0.00 0.00 64.86 63.07 1qwv h ILE 52 Cb 0.34 2.08 -0.31 0.00 -0.74 0.00 0.00 36.82 38.18 1qwv h ILE 52 CO 0.02 0.64 0.55 0.59 0.00 0.00 0.00 178.15 179.95 1qwv n ASN 53 N -3.85 6.97 -0.05 1.72 3.02 -0.52 -4.48 115.26 118.06 1qwv n ASN 53 Ca -0.05 -3.80 -0.11 0.00 -0.03 0.00 0.00 54.58 50.60 1qwv n ASN 53 Cb 0.71 -0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwv h LEU 55 N -0.31 -0.18 0.00 0.00 6.46 -1.80 -0.24 115.31 119.24 1qwv h LEU 55 Ca -0.26 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1qwv h LEU 55 Cb 1.26 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1qwv h LEU 55 CO -0.14 0.09 -0.05 0.00 -0.62 0.00 0.00 178.44 177.72 1qwv n ALA 56 N -2.32 2.41 0.07 1.25 0.00 -1.26 -2.30 120.51 118.36 1qwv n ALA 56 Ca -0.09 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1qwv n ALA 56 Cb 0.20 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 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 1.24 0.00 0.00 2.02 -1.72 -3.30 112.91 111.16 1qwv h THR 57 Ca 0.00 -2.87 0.00 0.00 0.77 0.00 0.00 66.41 64.31 1qwv h THR 57 Cb 0.58 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1qwv h THR 57 CO 0.00 0.83 0.00 0.11 0.37 0.00 0.00 175.52 176.83 1qwv h LYS 58 N 0.07 0.00 0.23 6.66 1.57 -0.74 -3.30 116.57 121.06 1qwv h LYS 58 Ca -0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1qwv h LYS 58 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1qwv h LYS 58 CO 0.17 0.00 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.87 1qwv h LEU 59 N 0.00 -0.27 -6.25 2.94 3.38 -1.54 -3.48 115.31 110.10 1qwv h LEU 59 Ca 0.00 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.22 1qwv h LEU 59 Cb 0.79 0.07 -0.28 0.00 0.09 0.00 0.00 40.66 41.32 1qwv h LEU 59 CO 0.00 -0.15 0.56 -0.62 0.09 0.00 0.00 178.44 178.31 1qwv s ASP 60 N -2.89 -0.10 -0.03 -0.43 2.15 -1.24 -5.08 116.67 109.06 1qwv s ASP 60 Ca -0.05 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.08 1qwv s ASP 60 Cb 0.00 1.10 0.03 0.00 -0.30 0.00 0.00 42.92 43.75 1qwv s ASP 60 CO 0.14 -0.02 0.40 0.55 -0.17 0.00 0.00 175.17 176.07 1qwv n VAL 61 N 4.32 0.00 -3.77 1.11 3.14 -1.26 -4.88 118.33 117.00 1qwv n VAL 61 Ca -0.08 -0.08 -0.37 0.00 -2.96 0.00 0.00 64.34 60.85 1qwv n VAL 61 Cb 0.56 0.31 -0.13 0.00 -1.06 0.00 0.00 33.84 33.52 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 3.93 -0.07 1.55 -7.23 -1.26 -4.10 120.40 113.23 1qwv s VAL 62 Ca 0.01 -0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1qwv s VAL 62 Cb 0.03 -3.00 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 1qwv s VAL 62 CO -0.01 0.12 0.64 -0.78 -0.31 0.00 0.00 175.10 174.76 1qwv h ASP 63 N 8.22 -0.16 0.00 4.85 3.58 -1.87 -3.48 116.42 127.56 1qwv h ASP 63 Ca -0.32 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1qwv h ASP 63 Cb 1.13 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1qwv h ASP 63 CO 0.60 0.42 0.00 -0.81 -2.88 0.00 0.00 179.24 176.57 1qwv n PRO 64 N -4.88 3.15 0.00 0.28 -0.05 -1.26 -4.90 135.00 127.33 1qwv n PRO 64 Ca -0.06 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.42 1qwv n PRO 64 Cb 0.23 0.00 0.20 0.00 -0.05 0.00 0.00 33.50 33.88 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 8.00 -1.26 -4.83 116.55 122.00 1qwv n ASP 65 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1qwv n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwv n GLY 66 N 0.19 1.99 3.77 0.44 0.00 -1.26 -5.09 105.19 105.23 1qwv n GLY 66 Ca 0.05 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.14 5.23 -0.85 1.61 4.22 -1.26 -3.99 114.94 117.76 1qwv s ASN 67 Ca 0.00 2.05 -0.01 0.00 -2.14 0.00 0.00 52.86 52.76 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 -1.55 0.17 0.18 -2.04 0.00 0.00 177.10 173.86 1qwv n LEU 68 N -2.15 -1.84 -4.24 3.54 7.99 -1.26 -4.59 117.00 114.45 1qwv n LEU 68 Ca 0.11 -0.09 -0.37 0.00 -0.01 0.00 0.00 56.01 55.65 1qwv n LEU 68 Cb 0.52 -1.76 -0.04 0.00 -0.11 0.00 0.00 43.42 42.02 1qwv n LEU 68 CO 0.46 0.02 1.92 0.00 -1.51 0.00 0.00 177.39 178.28 1qwv n HIS 69 N -3.94 3.09 -0.07 -1.77 1.44 -1.26 -4.67 115.22 108.05 1qwv n HIS 69 Ca -0.09 -2.07 -0.04 0.00 -2.01 0.00 0.00 57.72 53.50 1qwv n HIS 69 Cb 0.58 -2.40 -0.02 0.00 0.12 0.00 0.00 29.99 28.27 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 8.27 0.00 0.16 -1.40 6.17 -1.91 -3.27 115.15 123.17 1qwv h HIS 70 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.45 1qwv h HIS 70 Cb 0.82 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 1qwv h HIS 70 CO 1.30 0.12 -0.13 0.78 0.71 0.00 0.00 177.93 180.71 1qwv h GLY 71 N -1.00 -0.29 1.27 5.26 0.00 -1.96 -2.08 103.07 104.27 1qwv h GLY 71 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1qwv h GLY 71 CO -0.01 -0.13 0.36 -0.57 0.00 0.00 0.00 176.54 176.19 1qwv h ASN 72 N -0.30 0.48 -0.19 0.19 -0.73 -1.85 0.64 115.58 113.81 1qwv h ASN 72 Ca -0.00 -0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.05 1qwv h ASN 72 Cb 0.27 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1qwv h ASN 72 CO -0.01 0.32 -0.25 0.00 -0.37 0.00 0.00 177.43 177.11 1qwv h ALA 73 N 1.70 0.94 0.20 1.57 0.00 -1.44 0.57 119.26 122.79 1qwv h ALA 73 Ca 0.23 -0.37 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1qwv h ALA 73 Cb 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1qwv h ALA 73 CO -0.06 0.61 -1.38 0.87 0.00 0.00 0.00 179.25 179.29 1qwv h LYS 74 N 0.58 0.42 -0.81 0.00 1.79 -0.91 -2.54 116.57 115.09 1qwv h LYS 74 Ca 0.08 -0.72 -0.03 0.00 -2.18 0.00 0.00 60.65 57.80 1qwv h LYS 74 Cb 0.73 0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 31.61 1qwv h LYS 74 CO 0.06 1.34 0.40 0.22 -1.08 0.00 0.00 179.45 180.39 1qwv h ASP 75 N 0.11 1.06 -0.86 0.86 3.58 -0.71 -2.11 116.42 118.35 1qwv h ASP 75 Ca -0.20 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1qwv h ASP 75 Cb 2.08 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 42.82 1qwv h ASP 75 CO 0.24 0.89 0.48 0.15 -2.88 0.00 0.00 179.24 178.13 1qwv h PHE 76 N 1.15 1.18 -0.17 0.28 3.57 0.16 0.44 116.94 123.55 1qwv h PHE 76 Ca 0.28 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 1qwv h PHE 76 Cb 0.11 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1qwv h PHE 76 CO 0.01 0.81 -0.44 0.00 -2.23 0.00 0.00 178.31 176.47 1qwv h ALA 77 N 1.26 0.93 0.00 2.41 0.00 -1.12 -0.84 119.26 121.91 1qwv h ALA 77 Ca 0.30 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1qwv h ALA 77 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qwv h ALA 77 CO -0.05 0.64 -0.27 0.52 0.00 0.00 0.00 179.25 180.09 1qwv h MET 78 N 0.33 0.00 0.00 0.00 2.86 -1.01 -2.14 114.93 114.97 1qwv h MET 78 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1qwv h MET 78 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1qwv h MET 78 CO 0.08 0.27 -0.46 -0.22 1.06 0.00 0.00 176.91 177.64 1qwv h LYS 79 N 0.00 0.00 -2.13 1.72 3.64 -0.15 -3.43 116.57 116.23 1qwv h LYS 79 Ca -0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1qwv h LYS 79 Cb 0.92 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.41 1qwv h LYS 79 CO 0.03 0.00 -0.67 -1.01 -2.27 0.00 0.00 179.45 175.54 1qwv s HIS 80 N -3.17 -0.34 0.00 1.91 3.76 -0.39 -5.00 115.29 112.07 1qwv s HIS 80 Ca 0.07 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1qwv s HIS 80 Cb 0.12 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.33 1qwv s HIS 80 CO 0.69 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 174.06 1qwv n GLY 81 N 4.94 2.12 3.78 -2.22 0.00 -1.25 -4.65 105.19 107.90 1qwv n GLY 81 Ca 0.02 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.24 3.48 0.66 4.61 0.00 -0.82 -4.68 121.76 124.77 1qwv s ALA 82 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 1qwv s ALA 82 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1qwv s ALA 82 CO 0.00 0.31 0.99 0.16 0.00 0.00 0.00 175.76 177.23 1qwv s ASP 83 N -1.14 5.31 0.42 0.00 -4.77 -1.26 -4.08 116.67 111.14 1qwv s ASP 83 Ca 0.34 0.77 0.21 0.00 -3.30 0.00 0.00 52.55 50.57 1qwv s ASP 83 Cb -0.22 -1.60 0.87 0.00 -1.09 0.00 0.00 42.92 40.87 1qwv s ASP 83 CO 0.25 -1.31 1.82 1.05 0.70 0.00 0.00 175.17 177.68 1qwv h GLU 84 N -0.45 0.00 -0.01 2.11 -0.00 -1.97 -0.99 114.58 113.27 1qwv h GLU 84 Ca -0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 58.75 1qwv h GLU 84 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.01 1qwv h GLU 84 CO 0.62 0.29 -0.71 0.00 -0.00 0.00 0.00 179.01 179.21 1qwv h THR 85 N 0.00 1.47 0.03 -1.06 1.03 -1.97 0.43 112.91 112.84 1qwv h THR 85 Ca -0.00 -2.34 -0.06 0.00 -0.01 0.00 0.00 66.41 64.00 1qwv h THR 85 Cb 0.75 2.26 0.01 0.00 -1.07 0.00 0.00 68.15 70.09 1qwv h THR 85 CO 0.04 0.68 -0.27 -0.03 -0.01 0.00 0.00 175.52 175.93 1qwv h MET 86 N 0.06 0.12 -0.72 0.00 1.85 -1.64 -2.24 114.93 112.36 1qwv h MET 86 Ca -0.01 -0.18 0.04 0.00 -0.61 0.00 0.00 59.70 58.94 1qwv h MET 86 Cb 1.25 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 33.30 1qwv h MET 86 CO 0.10 1.02 0.47 0.00 -0.40 0.00 0.00 176.91 178.11 1qwv h ALA 87 N 0.11 1.60 0.00 0.39 0.00 -1.24 -1.83 119.26 118.28 1qwv h ALA 87 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1qwv h ALA 87 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1qwv h ALA 87 CO 0.05 0.33 -0.34 1.96 0.00 0.00 0.00 179.25 181.24 1qwv h GLN 88 N 0.86 0.00 0.00 0.00 7.50 -0.84 0.66 115.11 123.29 1qwv h GLN 88 Ca 0.29 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.34 1qwv h GLN 88 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1qwv h GLN 88 CO -0.08 0.34 -0.47 1.96 -1.50 0.00 0.00 178.83 179.08 1qwv h GLN 89 N 0.00 0.00 0.10 1.46 1.08 -0.72 -3.26 115.11 113.77 1qwv h GLN 89 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1qwv h GLN 89 Cb 0.87 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1qwv h GLN 89 CO 0.04 0.47 -1.57 1.25 -0.95 0.00 0.00 178.83 178.08 1qwv h LEU 90 N 0.00 0.33 -2.11 1.46 6.46 -0.61 -3.37 115.31 117.47 1qwv h LEU 90 Ca -0.00 -0.83 -0.01 0.00 -0.12 0.00 0.00 57.88 56.92 1qwv h LEU 90 Cb 1.25 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1qwv h LEU 90 CO 0.06 1.67 -0.04 -0.37 -0.62 0.00 0.00 178.44 179.15 1qwv h VAL 91 N -0.30 0.81 -0.53 1.05 -1.51 0.17 -1.60 116.25 114.33 1qwv h VAL 91 Ca -0.35 -0.13 -0.09 0.00 -1.23 0.00 0.00 66.70 64.90 1qwv h VAL 91 Cb 1.77 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 1qwv h VAL 91 CO 0.02 0.03 -0.03 -0.78 -1.23 0.00 0.00 177.57 175.59 1qwv h ASP 92 N 0.00 0.94 -0.54 4.19 3.58 -1.72 -1.20 116.42 121.68 1qwv h ASP 92 Ca -0.00 -0.32 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 1qwv h ASP 92 Cb 0.07 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1qwv h ASP 92 CO 0.00 1.03 -0.05 0.40 -2.88 0.00 0.00 179.24 177.75 1qwv h ILE 93 N 0.83 1.26 -0.34 2.25 5.03 -1.49 -2.20 117.51 122.86 1qwv h ILE 93 Ca 0.15 -1.18 0.03 0.00 -0.12 0.00 0.00 64.86 63.73 1qwv h ILE 93 Cb 0.57 0.88 -0.03 0.00 -3.03 0.00 0.00 36.82 35.21 1qwv h ILE 93 CO 0.03 0.42 0.15 0.40 -0.68 0.00 0.00 178.15 178.48 1qwv h ILE 94 N 0.91 0.96 -0.19 -0.67 2.04 -0.87 0.89 117.51 120.58 1qwv h ILE 94 Ca 0.16 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 1qwv h ILE 94 Cb 0.59 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1qwv h ILE 94 CO 0.04 0.06 -0.43 0.45 0.00 0.00 0.00 178.15 178.26 1qwv h HIS 95 N 0.32 0.56 0.00 1.37 3.86 -1.12 -2.07 115.15 118.06 1qwv h HIS 95 Ca 0.14 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1qwv h HIS 95 Cb 0.08 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1qwv h HIS 95 CO -0.11 0.82 -0.23 0.78 0.86 0.00 0.00 177.93 180.05 1qwv h GLY 96 N 1.12 0.00 1.82 2.45 0.00 -0.93 -2.64 103.07 104.89 1qwv h GLY 96 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1qwv h GLY 96 CO 0.08 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 175.99 1qwv h GLU 98 N 0.13 0.49 -0.68 0.00 4.81 -1.51 0.30 114.58 118.12 1qwv h GLU 98 Ca -0.01 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1qwv h GLU 98 Cb 1.14 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1qwv h GLU 98 CO 0.09 0.70 0.24 -0.22 -0.73 0.00 0.00 179.01 179.10 1qwv h LYS 99 N 0.44 1.04 -0.50 1.92 3.64 -1.13 -3.00 116.57 118.99 1qwv h LYS 99 Ca 0.07 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1qwv h LYS 99 Cb 0.66 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1qwv h LYS 99 CO 0.05 0.89 0.00 0.43 -2.27 0.00 0.00 179.45 178.55 1qwv n SER 100 N -4.35 5.20 -4.82 4.20 7.64 -0.65 -4.99 113.62 115.84 1qwv n SER 100 Ca 0.05 -2.92 -0.32 0.00 1.01 0.00 0.00 58.87 56.69 1qwv n SER 100 Cb 0.20 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -2.72 2.85 0.20 -0.43 0.00 0.10 -4.97 121.76 116.79 1qwv s ALA 101 Ca 0.51 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.41 1qwv s ALA 101 Cb 0.39 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 20.18 1qwv s ALA 101 CO 0.15 -0.69 1.11 -2.30 0.00 0.00 0.00 175.76 174.02 1qwv n PRO 102 N -2.10 1.16 -0.51 0.00 -0.02 -1.26 -4.79 135.00 127.48 1qwv n PRO 102 Ca 0.08 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.91 1qwv n PRO 102 Cb 0.53 -1.86 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.50 1.02 -3.85 0.52 -0.02 -1.26 -4.57 135.00 128.34 1qwv n PRO 103 Ca 0.14 -0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 60.83 1qwv n PRO 103 Cb 0.26 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.44 4.16 -1.15 2.55 0.01 -1.26 -5.06 114.94 116.64 1qwv s ASN 104 Ca 0.33 -2.42 -0.20 0.00 -0.71 0.00 0.00 52.86 49.86 1qwv s ASN 104 Cb 0.16 -1.30 0.07 0.00 0.41 0.00 0.00 41.25 40.59 1qwv s ASN 104 CO 0.00 -0.31 1.56 -0.62 -1.51 0.00 0.00 177.10 176.21 1qwv s ASP 105 N 0.57 6.69 -0.14 -1.22 -1.08 -1.26 -4.71 116.67 115.53 1qwv s ASP 105 Ca 0.14 -2.02 -0.04 0.00 -0.52 0.00 0.00 52.55 50.11 1qwv s ASP 105 Cb -0.22 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.65 1qwv s ASP 105 CO -0.07 -1.29 0.00 -0.62 0.52 0.00 0.00 175.17 173.72 1qwv s ASP 106 N 4.44 5.16 0.00 -0.34 2.15 -1.26 -5.03 116.67 121.79 1qwv s ASP 106 Ca 0.49 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.49 1qwv s ASP 106 Cb 0.01 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1qwv s ASP 106 CO -0.01 0.24 0.37 1.17 -0.17 0.00 0.00 175.17 176.77 1qwv n LYS 107 N 3.04 0.00 0.00 4.34 3.00 -1.26 -1.20 118.16 126.08 1qwv n LYS 107 Ca -0.18 0.37 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 1qwv n LYS 107 Cb 0.53 -0.62 0.29 0.00 0.00 0.00 0.00 35.03 35.23 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 0.84 0.08 0.00 4.05 -1.50 -1.54 114.93 116.86 1qwv h MET 109 Ca 0.00 -0.44 -0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1qwv h MET 109 Cb 0.51 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1qwv h MET 109 CO 0.00 1.07 -0.04 1.57 0.23 0.00 0.00 176.91 179.75 1qwv h LYS 110 N 0.64 -0.10 0.00 0.39 2.10 -1.59 -1.30 116.57 116.72 1qwv h LYS 110 Ca 0.06 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1qwv h LYS 110 Cb 0.91 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1qwv h LYS 110 CO 0.08 0.17 0.02 2.41 -2.00 0.00 0.00 179.45 180.13 1qwv n THR 111 N -5.01 1.12 0.03 0.07 -1.04 -1.20 -1.50 114.28 106.74 1qwv n THR 111 Ca -0.08 0.71 -0.17 0.00 -2.04 0.00 0.00 64.05 62.47 1qwv n THR 111 Cb 0.17 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 66.83 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1qwv h ILE 112 N 0.00 0.90 -0.42 12.58 5.03 -0.20 -2.52 117.51 132.88 1qwv h ILE 112 Ca 0.00 -2.60 -0.04 0.00 -0.12 0.00 0.00 64.86 62.10 1qwv h ILE 112 Cb 0.03 2.61 -0.02 0.00 -3.03 0.00 0.00 36.82 36.41 1qwv h ILE 112 CO 0.00 0.78 0.08 -0.78 -0.68 0.00 0.00 178.15 177.55 1qwv h ASP 113 N 0.06 0.58 0.26 1.72 1.82 -0.36 0.81 116.42 121.31 1qwv h ASP 113 Ca -0.32 -0.10 -0.25 0.00 -0.39 0.00 0.00 57.03 55.98 1qwv h ASP 113 Cb 2.03 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 41.90 1qwv h ASP 113 CO 0.12 0.60 -1.02 -0.37 -1.61 0.00 0.00 179.24 176.97 1qwv h VAL 114 N 0.61 1.37 -0.08 2.25 -1.51 -1.50 -2.01 116.25 115.38 1qwv h VAL 114 Ca 0.14 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.16 1qwv h VAL 114 Cb 0.27 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1qwv h VAL 114 CO 0.00 0.74 0.05 0.00 -1.23 0.00 0.00 177.57 177.13 1qwv h ALA 115 N 0.61 0.10 0.00 5.19 0.00 -0.98 -0.81 119.26 123.37 1qwv h ALA 115 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qwv h ALA 115 Cb 1.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1qwv h ALA 115 CO 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.03 1qwv h MET 116 N 0.09 0.00 -0.00 0.00 -0.00 -0.90 -1.40 114.93 112.72 1qwv h MET 116 Ca 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.59 1qwv h MET 116 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.59 1qwv h MET 116 CO -0.01 0.00 -0.68 0.00 -0.00 0.00 0.00 176.91 176.23 1qwv h PHE 118 N 0.00 0.70 0.00 0.00 3.57 -0.07 -2.43 116.94 118.71 1qwv h PHE 118 Ca -0.01 -0.43 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1qwv h PHE 118 Cb 1.20 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1qwv h PHE 118 CO 0.00 1.29 -0.18 -0.22 -2.23 0.00 0.00 178.31 176.97 1qwv h LYS 119 N -0.09 0.00 -0.15 1.11 3.11 -1.54 -1.09 116.57 117.93 1qwv h LYS 119 Ca -0.13 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1qwv h LYS 119 Cb 1.57 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.80 1qwv h LYS 119 CO 0.16 0.18 0.07 -0.22 -2.81 0.00 0.00 179.45 176.83 1qwv h LYS 120 N 0.00 0.21 -0.53 1.90 3.64 -1.36 -2.46 116.57 117.97 1qwv h LYS 120 Ca -0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1qwv h LYS 120 Cb 0.66 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1qwv h LYS 120 CO 0.02 0.25 0.33 0.93 -2.27 0.00 0.00 179.45 178.71 1qwv h GLU 121 N 0.12 0.64 -0.42 1.90 4.39 -0.92 -1.30 114.58 118.99 1qwv h GLU 121 Ca 0.05 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1qwv h GLU 121 Cb 0.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1qwv h GLU 121 CO -0.01 0.42 0.28 0.97 -1.16 0.00 0.00 179.01 179.51 1qwv h ILE 122 N 0.66 1.03 -0.04 3.13 2.10 -1.16 0.15 117.51 123.37 1qwv h ILE 122 Ca 0.21 -0.15 -0.13 0.00 1.08 0.00 0.00 64.86 65.87 1qwv h ILE 122 Cb -0.01 0.55 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 1qwv h ILE 122 CO -0.08 0.08 -0.55 0.45 -1.08 0.00 0.00 178.15 176.97 1qwv h HIS 123 N 0.44 0.16 -0.32 2.19 3.86 -0.93 -3.20 115.15 117.35 1qwv h HIS 123 Ca 0.17 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1qwv h HIS 123 Cb 0.13 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1qwv h HIS 123 CO -0.00 0.65 -0.16 -0.22 0.86 0.00 0.00 177.93 179.06 1qwv h LYS 124 N 0.10 0.57 -0.24 2.45 1.63 0.41 -2.50 116.57 118.99 1qwv h LYS 124 Ca -0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1qwv h LYS 124 Cb 1.00 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1qwv h LYS 124 CO 0.08 0.71 0.00 1.47 -3.45 0.00 0.00 179.45 178.26 1qwv n LEU 125 N -4.16 1.13 -1.73 5.20 -0.00 -0.77 -4.97 117.00 111.70 1qwv n LEU 125 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 1qwv n LEU 125 Cb 0.36 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1qwv n LEU 125 CO 0.42 0.27 -0.28 0.59 -0.00 0.00 0.00 177.39 178.39 1qwv n ASN 126 N 0.08 -6.28 -3.95 1.45 3.02 -0.94 -5.09 115.26 103.55 1qwv n ASN 126 Ca 0.07 1.03 -0.19 0.00 -0.03 0.00 0.00 54.58 55.45 1qwv n ASN 126 Cb 0.19 -3.39 -0.01 0.00 -0.61 0.00 0.00 39.78 35.96 1qwv n ASN 126 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1qwv n TRP 127 N 1.04 -0.42 -5.19 3.10 4.27 -1.25 -4.97 117.44 114.01 1qwv n TRP 127 Ca 0.00 -1.66 -0.32 0.00 -3.89 0.00 0.00 57.50 51.63 1qwv n TRP 127 Cb 0.00 -0.29 -0.17 0.00 -1.36 0.00 0.00 31.31 29.49 1qwv n TRP 127 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 1qwv s VAL 128 N -2.00 2.15 0.84 -1.67 -7.23 -1.26 -5.12 120.40 106.10 1qwv s VAL 128 Ca 0.16 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1qwv s VAL 128 Cb -0.01 -1.81 0.10 0.00 0.56 0.00 0.00 36.38 35.22 1qwv s VAL 128 CO 0.10 0.56 1.13 -2.84 -0.31 0.00 0.00 175.10 173.75 1qwv s PRO 129 N 0.20 1.59 0.13 4.82 0.02 -1.26 -5.04 135.00 135.46 1qwv s PRO 129 Ca -0.14 1.45 0.04 0.00 0.02 0.00 0.00 61.00 62.37 1qwv s PRO 129 Cb -0.17 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1qwv s PRO 129 CO 0.07 -2.19 0.13 1.21 -0.33 0.00 0.00 177.00 175.89 1qwv s ASN 130 N -2.83 5.61 0.44 2.53 2.47 -1.26 -5.13 114.94 116.78 1qwv s ASN 130 Ca 0.66 -0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.90 1qwv s ASN 130 Cb -0.22 -1.51 0.06 0.00 -1.45 0.00 0.00 41.25 38.13 1qwv s ASN 130 CO 0.55 0.11 0.40 0.23 -3.72 0.00 0.00 177.10 174.67 1qwv n MET 131 N -0.05 0.48 -2.22 0.43 2.81 -1.26 -5.02 117.12 112.28 1qwv n MET 131 Ca -0.08 -1.21 -0.43 0.00 -1.81 0.00 0.00 57.70 54.17 1qwv n MET 131 Cb 0.53 -0.23 -0.02 0.00 -0.71 0.00 0.00 33.22 32.79 1qwv n MET 131 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qwv s ASP 132 N -2.67 6.76 -1.07 7.83 1.01 -1.26 -4.94 116.67 122.33 1qwv s ASP 132 Ca 0.28 1.89 -0.06 0.00 0.71 0.00 0.00 52.55 55.36 1qwv s ASP 132 Cb -0.02 -2.54 0.28 0.00 1.01 0.00 0.00 42.92 41.66 1qwv s ASP 132 CO 0.18 -0.89 1.20 -0.11 0.21 0.00 0.00 175.17 175.76 1qwv n LEU 133 N 7.06 5.66 -3.24 1.23 -0.00 -1.26 -4.85 117.00 121.60 1qwv n LEU 133 Ca 0.16 -5.12 -0.25 0.00 -0.00 0.00 0.00 56.01 50.80 1qwv n LEU 133 Cb 0.44 -1.35 0.02 0.00 -0.00 0.00 0.00 43.42 42.52 1qwv n LEU 133 CO 0.60 1.50 -0.21 1.33 -0.00 0.00 0.00 177.39 180.61 1qwv n VAL 134 N 2.13 -2.74 -2.50 1.96 0.24 -1.26 -4.82 118.33 111.35 1qwv n VAL 134 Ca 0.25 0.02 -0.41 0.00 -2.04 0.00 0.00 64.34 62.16 1qwv n VAL 134 Cb 0.37 -2.47 -0.03 0.00 -1.47 0.00 0.00 33.84 30.24 1qwv n VAL 134 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1qwv s ILE 135 N -1.95 3.77 0.74 1.34 -0.00 -1.26 -5.00 121.20 118.84 1qwv s ILE 135 Ca 0.15 0.55 -0.11 0.00 -0.00 0.00 0.00 60.65 61.24 1qwv s ILE 135 Cb -0.02 -4.73 0.04 0.00 -0.00 0.00 0.00 42.46 37.75 1qwv s ILE 135 CO 0.69 -1.57 1.08 -0.83 -0.00 0.00 0.00 174.94 174.31 1qwv s GLY 136 N 3.98 1.66 -0.26 6.27 0.00 -1.26 -5.04 107.32 112.68 1qwv s GLY 136 Ca 0.42 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 1qwv s GLY 136 CO 0.19 0.44 -0.06 1.85 0.00 0.00 0.00 173.10 175.53 1qwv s GLU 137 N -5.01 2.74 -0.25 2.90 2.12 -1.26 -5.09 118.70 114.85 1qwv s GLU 137 Ca 0.60 -1.04 -0.14 0.00 0.36 0.00 0.00 54.97 54.74 1qwv s GLU 137 Cb -0.15 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1qwv s GLU 137 CO 0.55 -0.44 0.34 0.08 -0.54 0.00 0.00 175.26 175.25 1qwv s VAL 138 N 1.30 5.21 -0.44 3.70 1.01 -1.26 -5.04 120.40 124.87 1qwv s VAL 138 Ca -0.01 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 1qwv s VAL 138 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1qwv s VAL 138 CO -0.04 0.21 0.76 -0.22 0.00 0.00 0.00 175.10 175.81 1qwv s LEU 139 N 1.75 4.28 -0.56 3.92 0.20 -1.26 -5.00 118.68 122.01 1qwv s LEU 139 Ca 0.15 -0.12 -0.28 0.00 0.69 0.00 0.00 54.13 54.56 1qwv s LEU 139 Cb -0.15 -2.93 0.03 0.00 -0.43 0.00 0.00 46.19 42.70 1qwv s LEU 139 CO 0.09 -0.89 1.24 0.00 -0.29 0.00 0.00 176.35 176.50 1qwv s ALA 140 N 3.21 2.98 0.02 5.97 0.00 -1.26 -4.99 121.76 127.68 1qwv s ALA 140 Ca 0.29 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.57 1qwv s ALA 140 Cb -0.12 -4.04 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 1qwv s ALA 140 CO 0.22 -2.67 -0.20 -2.00 0.00 0.00 0.00 175.76 171.11 1qwv s GLU 141 N 5.02 1.43 0.00 0.00 2.12 -1.26 -5.36 118.70 120.65 1qwv s GLU 141 Ca 0.46 -0.84 0.15 0.00 0.36 0.00 0.00 54.97 55.10 1qwv s GLU 141 Cb -0.08 -1.48 0.90 0.00 0.26 0.00 0.00 34.13 33.73 1qwv s GLU 141 CO 0.26 0.39 1.32 0.28 -0.54 0.00 0.00 175.26 176.96