#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x46 s PRO 2 N 0.00 1.40 -0.13 -0.24 0.02 -1.26 -5.02 135.00 129.77 1x46 s PRO 2 Ca 0.00 1.66 -0.03 0.00 0.02 0.00 0.00 61.00 62.65 1x46 s PRO 2 Cb 0.00 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 1x46 s PRO 2 CO 0.00 -2.37 -0.03 0.99 -0.33 0.00 0.00 177.00 175.27 1x46 s THR 3 N -2.37 4.03 0.19 0.99 2.01 -1.26 -4.35 115.64 114.87 1x46 s THR 3 Ca 0.70 -0.32 -0.32 0.00 0.31 0.00 0.00 61.69 62.06 1x46 s THR 3 Cb -0.26 -2.74 -0.11 0.00 0.01 0.00 0.00 72.50 69.40 1x46 s THR 3 CO 0.54 0.52 1.68 0.86 -0.69 0.00 0.00 174.62 177.53 1x46 s TRP 4 N -0.00 2.93 -0.21 4.92 -0.11 -1.26 -4.79 118.94 120.43 1x46 s TRP 4 Ca 0.02 0.42 -0.01 0.00 1.22 0.00 0.00 56.10 57.75 1x46 s TRP 4 Cb -0.13 -4.07 0.06 0.00 -1.50 0.00 0.00 33.47 27.82 1x46 s TRP 4 CO 0.02 -4.04 -0.03 0.08 -4.62 0.00 0.00 176.95 168.36 1x46 s VAL 5 N 1.22 1.14 0.18 5.86 1.01 -1.26 -5.09 120.40 123.46 1x46 s VAL 5 Ca 0.73 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.49 1x46 s VAL 5 Cb -0.48 -1.46 -0.15 0.00 0.00 0.00 0.00 36.38 34.30 1x46 s VAL 5 CO 0.32 -0.08 1.28 0.47 0.00 0.00 0.00 175.10 177.08 1x46 n ASP 6 N 4.83 1.88 -4.80 3.32 8.00 -1.26 -4.89 116.55 123.62 1x46 n ASP 6 Ca -0.11 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.18 1x46 n ASP 6 Cb 0.46 -1.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 1x46 n ASP 6 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1x46 s MET 7 N -0.19 4.24 0.50 -1.24 -1.94 -1.26 -5.03 119.30 114.37 1x46 s MET 7 Ca 0.74 1.24 -0.21 0.00 -1.71 0.00 0.00 55.69 55.74 1x46 s MET 7 Cb -0.80 -2.34 -0.07 0.00 2.01 0.00 0.00 34.83 33.64 1x46 s MET 7 CO 0.50 -0.03 1.13 -1.21 -0.01 0.00 0.00 175.02 175.40 1x46 s GLU 8 N -2.88 3.60 0.32 2.03 2.02 -1.26 -4.92 118.70 117.61 1x46 s GLU 8 Ca 0.60 1.66 0.00 0.00 0.02 0.00 0.00 54.97 57.25 1x46 s GLU 8 Cb -0.13 -2.21 0.53 0.00 0.10 0.00 0.00 34.13 32.42 1x46 s GLU 8 CO 0.18 -0.66 1.97 0.00 0.02 0.00 0.00 175.26 176.77 1x46 h ALA 9 N 1.65 1.49 -0.65 5.21 0.00 -1.99 -1.95 119.26 123.03 1x46 h ALA 9 Ca -0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1x46 h ALA 9 Cb 1.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1x46 h ALA 9 CO 0.59 0.44 0.09 0.78 0.00 0.00 0.00 179.25 181.14 1x46 h GLY 10 N 1.01 1.16 1.09 0.00 0.00 -1.99 -1.49 103.07 102.84 1x46 h GLY 10 Ca 0.31 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1x46 h GLY 10 CO -0.08 0.72 0.13 -0.55 0.00 0.00 0.00 176.54 176.76 1x46 h ASP 11 N 1.00 1.06 -0.65 0.19 3.32 -1.84 -1.03 116.42 118.47 1x46 h ASP 11 Ca 0.20 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1x46 h ASP 11 Cb 0.46 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1x46 h ASP 11 CO 0.02 1.04 0.39 0.40 -1.72 0.00 0.00 179.24 179.36 1x46 h ILE 12 N 1.04 1.04 -0.45 0.35 2.04 -1.16 -1.37 117.51 118.99 1x46 h ILE 12 Ca 0.21 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1x46 h ILE 12 Cb 0.42 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1x46 h ILE 12 CO 0.01 0.14 0.11 0.00 0.00 0.00 0.00 178.15 178.41 1x46 h ALA 13 N 1.30 1.34 -0.49 1.87 0.00 -0.88 -0.00 119.26 122.41 1x46 h ALA 13 Ca 0.27 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1x46 h ALA 13 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x46 h ALA 13 CO -0.13 0.47 -0.08 -0.07 0.00 0.00 0.00 179.25 179.44 1x46 h LEU 14 N 0.66 0.92 0.07 0.00 3.38 -0.56 0.55 115.31 120.33 1x46 h LEU 14 Ca 0.15 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x46 h LEU 14 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x46 h LEU 14 CO -0.00 1.05 -0.03 0.58 0.09 0.00 0.00 178.44 180.12 1x46 h VAL 15 N 0.78 1.03 -0.75 1.22 2.07 -0.98 -1.38 116.25 118.24 1x46 h VAL 15 Ca 0.13 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1x46 h VAL 15 Cb 0.62 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1x46 h VAL 15 CO 0.04 0.09 0.48 0.11 0.02 0.00 0.00 177.57 178.31 1x46 h LYS 16 N -0.25 0.93 -0.17 1.57 1.57 -0.78 -0.13 116.57 119.31 1x46 h LYS 16 Ca -0.01 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1x46 h LYS 16 Cb 0.22 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1x46 h LYS 16 CO 0.02 0.62 -0.73 0.66 -0.57 0.00 0.00 179.45 179.44 1x46 h SER 17 N 0.96 0.89 0.14 0.86 4.64 -0.89 -1.23 113.55 118.91 1x46 h SER 17 Ca 0.29 -0.56 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 1x46 h SER 17 Cb -0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1x46 h SER 17 CO -0.09 1.36 -0.61 0.77 -0.87 0.00 0.00 176.83 177.39 1x46 h SER 18 N 0.53 0.53 -0.62 4.97 4.64 -1.17 -2.92 113.55 119.52 1x46 h SER 18 Ca -0.04 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1x46 h SER 18 Cb 1.35 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1x46 h SER 18 CO 0.15 1.01 0.37 -0.25 -0.87 0.00 0.00 176.83 177.24 1x46 h TRP 19 N 0.35 0.69 -0.05 4.77 2.91 -0.97 -2.02 115.95 121.63 1x46 h TRP 19 Ca -0.01 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.05 1x46 h TRP 19 Cb 1.15 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1x46 h TRP 19 CO 0.04 0.38 0.08 0.00 -1.03 0.00 0.00 178.44 177.91 1x46 h ALA 20 N 1.28 1.42 0.00 2.65 0.00 -1.03 0.96 119.26 124.53 1x46 h ALA 20 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x46 h ALA 20 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1x46 h ALA 20 CO -0.12 -0.10 0.00 1.96 0.00 0.00 0.00 179.25 180.99 1x46 h GLN 21 N 0.00 0.00 0.00 0.00 4.20 -1.27 -3.35 115.11 114.69 1x46 h GLN 21 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1x46 h GLN 21 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1x46 h GLN 21 CO -0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 1x46 n ILE 22 N -2.93 0.00 0.44 2.54 -5.35 -0.35 -4.81 119.36 108.91 1x46 n ILE 22 Ca 0.04 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.21 1x46 n ILE 22 Cb 0.46 1.08 0.42 0.00 -1.74 0.00 0.00 39.64 39.87 1x46 n ILE 22 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x46 n HIS 23 N -0.45 0.49 -0.61 4.28 1.44 0.19 -0.64 115.22 119.91 1x46 n HIS 23 Ca 0.00 0.19 0.08 0.00 -2.01 0.00 0.00 57.72 55.98 1x46 n HIS 23 Cb 0.02 -0.81 0.36 0.00 0.12 0.00 0.00 29.99 29.68 1x46 n HIS 23 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1x46 n ASP 24 N -1.95 4.96 -2.12 4.39 5.75 -1.26 -4.21 116.55 122.11 1x46 n ASP 24 Ca 0.03 -2.65 -0.27 0.00 -0.01 0.00 0.00 54.79 51.89 1x46 n ASP 24 Cb 0.21 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 39.71 1x46 n ASP 24 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1x46 n LYS 25 N 0.81 3.38 -0.16 0.11 5.02 0.18 -4.86 118.16 122.64 1x46 n LYS 25 Ca 0.25 -3.96 -0.03 0.00 -2.02 0.00 0.00 58.31 52.55 1x46 n LYS 25 Cb 0.99 -2.28 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1x46 n LYS 25 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x46 h GLU 26 N 2.16 0.37 -0.53 1.97 3.07 -1.75 0.36 114.58 120.22 1x46 h GLU 26 Ca 0.43 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.23 1x46 h GLU 26 Cb 1.32 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 1x46 h GLU 26 CO 0.98 0.24 0.20 0.28 -1.40 0.00 0.00 179.01 179.31 1x46 h VAL 27 N 0.38 1.22 -0.32 3.13 2.07 -1.89 -1.60 116.25 119.24 1x46 h VAL 27 Ca 0.24 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1x46 h VAL 27 Cb 0.24 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1x46 h VAL 27 CO -0.23 0.27 -0.17 0.44 0.02 0.00 0.00 177.57 177.90 1x46 h ASP 28 N 0.73 0.58 -0.36 0.57 3.32 -1.76 0.11 116.42 119.61 1x46 h ASP 28 Ca 0.18 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1x46 h ASP 28 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1x46 h ASP 28 CO -0.01 0.76 0.09 0.40 -1.72 0.00 0.00 179.24 178.76 1x46 h ILE 29 N 0.53 1.22 -0.37 0.35 2.04 -0.53 0.24 117.51 120.99 1x46 h ILE 29 Ca 0.09 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1x46 h ILE 29 Cb 0.59 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1x46 h ILE 29 CO 0.04 0.26 -0.00 0.25 0.00 0.00 0.00 178.15 178.70 1x46 h LEU 30 N 0.43 0.64 -0.73 1.44 5.85 -0.96 -1.53 115.31 120.46 1x46 h LEU 30 Ca 0.11 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1x46 h LEU 30 Cb 0.31 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1x46 h LEU 30 CO 0.00 0.80 0.42 0.22 -0.34 0.00 0.00 178.44 179.54 1x46 h TYR 31 N 0.47 0.77 -0.85 1.25 3.20 -0.71 -1.10 116.97 120.01 1x46 h TYR 31 Ca 0.10 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1x46 h TYR 31 Cb 0.47 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1x46 h TYR 31 CO 0.04 0.37 0.40 -0.97 -1.64 0.00 0.00 178.16 176.36 1x46 h ASN 32 N 0.77 1.12 0.12 -2.11 -1.24 -0.62 0.12 115.58 113.74 1x46 h ASN 32 Ca 0.33 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1x46 h ASN 32 Cb 0.20 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1x46 h ASN 32 CO -0.18 0.95 -0.06 0.15 -1.29 0.00 0.00 177.43 176.99 1x46 h PHE 33 N 1.22 -0.15 -0.18 0.67 3.57 -0.84 -1.19 116.94 120.04 1x46 h PHE 33 Ca 0.29 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 1x46 h PHE 33 Cb 0.13 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1x46 h PHE 33 CO 0.02 -0.01 -0.40 0.74 -2.23 0.00 0.00 178.31 176.42 1x46 h PHE 34 N -0.26 0.48 -0.68 0.41 0.04 -0.94 0.73 116.94 116.71 1x46 h PHE 34 Ca -0.02 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 1x46 h PHE 34 Cb 0.21 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1x46 h PHE 34 CO -0.04 0.75 0.34 -0.22 -0.60 0.00 0.00 178.31 178.54 1x46 h LYS 35 N 0.34 0.96 0.00 1.51 1.63 -0.68 -1.62 116.57 118.71 1x46 h LYS 35 Ca 0.03 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.53 1x46 h LYS 35 Cb 0.85 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1x46 h LYS 35 CO 0.07 0.75 -0.78 0.77 -3.45 0.00 0.00 179.45 176.81 1x46 h SER 36 N 0.93 0.00 -2.12 4.20 0.02 -0.88 -3.38 113.55 112.32 1x46 h SER 36 Ca 0.23 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.61 1x46 h SER 36 Cb 0.09 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.23 1x46 h SER 36 CO -0.03 0.78 -0.93 -1.22 -1.14 0.00 0.00 176.83 174.29 1x46 n TYR 37 N -3.54 0.91 -0.09 3.45 4.01 0.22 -4.97 117.16 117.14 1x46 n TYR 37 Ca -0.00 -3.74 0.16 0.00 -0.16 0.00 0.00 57.90 54.16 1x46 n TYR 37 Cb 0.77 -0.38 0.57 0.00 -0.31 0.00 0.00 39.34 40.00 1x46 n TYR 37 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1x46 h PRO 38 N 4.22 0.26 0.00 -0.72 0.11 -1.49 -0.32 132.00 134.07 1x46 h PRO 38 Ca 0.13 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1x46 h PRO 38 Cb 0.81 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1x46 h PRO 38 CO 0.57 0.17 -0.08 0.00 -0.21 0.00 0.00 178.00 178.45 1x46 h ALA 39 N 1.69 1.42 -0.25 -0.75 0.00 -1.93 -1.99 119.26 117.44 1x46 h ALA 39 Ca 0.31 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1x46 h ALA 39 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x46 h ALA 39 CO -0.07 0.10 -0.59 0.77 0.00 0.00 0.00 179.25 179.46 1x46 h SER 40 N 0.00 0.96 -0.49 0.00 0.02 -1.41 -3.13 113.55 109.51 1x46 h SER 40 Ca -0.00 -0.56 0.08 0.00 -0.84 0.00 0.00 61.79 60.47 1x46 h SER 40 Cb 0.21 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1x46 h SER 40 CO 0.01 1.34 0.33 -0.61 -1.14 0.00 0.00 176.83 176.77 1x46 h GLN 41 N 0.63 0.33 0.00 3.45 4.15 -1.35 -1.68 115.11 120.64 1x46 h GLN 41 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1x46 h GLN 41 Cb 1.21 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1x46 h GLN 41 CO 0.13 0.22 0.00 0.00 -1.93 0.00 0.00 178.83 177.25 1x46 n ALA 42 N -2.53 1.30 0.51 3.38 0.00 -1.08 -1.94 120.51 120.15 1x46 n ALA 42 Ca 0.07 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1x46 n ALA 42 Cb 0.31 -1.22 0.23 0.00 0.00 0.00 0.00 19.45 18.77 1x46 n ALA 42 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1x46 h LYS 43 N 0.00 0.00 -5.85 0.00 1.57 -1.43 -3.44 116.57 107.43 1x46 h LYS 43 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1x46 h LYS 43 Cb 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1x46 h LYS 43 CO 0.00 0.00 -0.04 -0.06 -0.57 0.00 0.00 179.45 178.78 1x46 s PHE 44 N -3.17 3.53 0.30 -1.35 0.08 -0.82 -4.97 117.98 111.58 1x46 s PHE 44 Ca 0.07 1.03 -0.01 0.00 0.12 0.00 0.00 56.93 58.14 1x46 s PHE 44 Cb 0.12 -2.66 0.47 0.00 -0.57 0.00 0.00 43.02 40.38 1x46 s PHE 44 CO 0.68 0.12 1.95 0.77 -0.10 0.00 0.00 175.22 178.64 1x46 h SER 45 N 6.77 0.94 1.67 1.36 0.02 -1.90 0.11 113.55 122.51 1x46 h SER 45 Ca -0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1x46 h SER 45 Cb 1.18 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1x46 h SER 45 CO 0.76 0.65 -0.11 0.00 -1.14 0.00 0.00 176.83 176.98 1x46 h ALA 46 N 1.49 0.94 0.00 3.77 0.00 -1.94 -3.38 119.26 120.13 1x46 h ALA 46 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x46 h ALA 46 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x46 h ALA 46 CO -0.09 0.00 -0.92 1.19 0.00 0.00 0.00 179.25 179.43 1x46 n PHE 47 N -2.71 0.00 -1.73 0.00 3.72 -0.87 -4.94 117.46 110.94 1x46 n PHE 47 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1x46 n PHE 47 Cb 0.49 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 1x46 n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x46 n ALA 48 N -1.47 2.71 -0.66 4.37 0.00 0.33 -1.67 120.51 124.12 1x46 n ALA 48 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1x46 n ALA 48 Cb 0.02 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 16.97 1x46 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x46 n GLY 49 N 3.23 1.41 3.89 0.00 0.00 -1.26 -5.01 105.19 107.45 1x46 n GLY 49 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1x46 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x46 s LYS 50 N -0.08 3.70 0.02 1.61 1.02 -0.67 -5.04 119.74 120.30 1x46 s LYS 50 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1x46 s LYS 50 Cb 0.00 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1x46 s LYS 50 CO 0.00 0.30 1.19 0.34 -0.92 0.00 0.00 175.35 176.26 1x46 s ASP 51 N -2.70 7.08 0.39 2.83 -1.08 -1.26 -4.92 116.67 117.02 1x46 s ASP 51 Ca 0.45 1.93 0.08 0.00 -0.52 0.00 0.00 52.55 54.49 1x46 s ASP 51 Cb -0.11 -2.57 0.81 0.00 -1.46 0.00 0.00 42.92 39.59 1x46 s ASP 51 CO 0.25 -0.50 1.99 0.25 0.52 0.00 0.00 175.17 177.68 1x46 h LEU 52 N 7.32 0.39 -1.42 -1.34 5.85 -1.96 -1.25 115.31 122.90 1x46 h LEU 52 Ca -0.39 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1x46 h LEU 52 Cb 1.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1x46 h LEU 52 CO 0.83 0.38 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.70 1x46 h GLU 53 N 0.43 0.00 0.07 1.25 4.39 -1.97 -2.65 114.58 116.10 1x46 h GLU 53 Ca 0.11 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 1x46 h GLU 53 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1x46 h GLU 53 CO -0.01 0.28 -1.11 0.77 -1.16 0.00 0.00 179.01 177.79 1x46 h SER 54 N 0.00 0.45 -0.21 1.42 0.02 -1.66 -3.35 113.55 110.23 1x46 h SER 54 Ca -0.00 -0.43 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 1x46 h SER 54 Cb 0.58 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1x46 h SER 54 CO 0.04 1.28 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.62 1x46 h LEU 55 N 0.13 0.74 -9.79 5.07 3.38 -0.99 -3.43 115.31 110.42 1x46 h LEU 55 Ca -0.11 -0.30 -0.55 0.00 0.09 0.00 0.00 57.88 57.01 1x46 h LEU 55 Cb 1.79 -0.20 0.10 0.00 0.09 0.00 0.00 40.66 42.43 1x46 h LEU 55 CO 0.18 1.00 0.74 1.17 0.09 0.00 0.00 178.44 181.62 1x46 n LYS 56 N -4.07 2.48 -1.05 1.13 4.81 -1.14 -1.98 118.16 118.35 1x46 n LYS 56 Ca -0.01 0.88 -0.02 0.00 -0.87 0.00 0.00 58.31 58.29 1x46 n LYS 56 Cb 0.48 -2.59 -0.01 0.00 0.02 0.00 0.00 35.03 32.93 1x46 n LYS 56 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x46 n ASP 57 N 1.47 -3.87 -4.89 3.14 8.00 -1.26 -5.03 116.55 114.10 1x46 n ASP 57 Ca 0.06 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 1x46 n ASP 57 Cb 0.36 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 39.92 1x46 n ASP 57 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1x46 s THR 58 N -1.83 5.09 0.17 -3.53 -4.23 -0.83 -5.03 115.64 105.44 1x46 s THR 58 Ca 0.00 -0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.69 1x46 s THR 58 Cb 0.00 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.33 1x46 s THR 58 CO 0.00 -0.02 1.68 0.00 -0.54 0.00 0.00 174.62 175.74 1x46 h ALA 59 N 2.52 0.75 -0.82 3.99 0.00 -1.96 -1.85 119.26 121.89 1x46 h ALA 59 Ca -0.47 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1x46 h ALA 59 Cb 1.18 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1x46 h ALA 59 CO 0.69 0.45 0.54 -1.35 0.00 0.00 0.00 179.25 179.57 1x46 h PRO 60 N 0.81 0.92 -0.10 0.00 0.11 -1.96 0.25 132.00 132.03 1x46 h PRO 60 Ca 0.18 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1x46 h PRO 60 Cb 0.34 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1x46 h PRO 60 CO 0.00 0.61 -0.01 0.35 -0.21 0.00 0.00 178.00 178.74 1x46 h PHE 61 N 0.95 0.20 -0.48 0.65 3.57 -1.72 -2.36 116.94 117.75 1x46 h PHE 61 Ca 0.34 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1x46 h PHE 61 Cb 0.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1x46 h PHE 61 CO -0.00 0.46 0.19 0.00 -2.23 0.00 0.00 178.31 176.73 1x46 h ALA 62 N 0.71 1.42 0.02 2.41 0.00 -1.07 -1.38 119.26 121.37 1x46 h ALA 62 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1x46 h ALA 62 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x46 h ALA 62 CO 0.01 0.44 -0.04 1.25 0.00 0.00 0.00 179.25 180.91 1x46 h LEU 63 N 0.69 -0.11 -0.50 0.00 5.85 -0.39 0.57 115.31 121.42 1x46 h LEU 63 Ca 0.17 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1x46 h LEU 63 Cb 0.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1x46 h LEU 63 CO -0.02 -0.06 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.19 1x46 h HIS 64 N -0.08 1.06 -0.69 1.25 2.76 -1.17 -1.08 115.15 117.20 1x46 h HIS 64 Ca 0.01 -0.22 0.07 0.00 -2.20 0.00 0.00 60.37 58.03 1x46 h HIS 64 Cb 0.09 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 1x46 h HIS 64 CO -0.10 1.01 0.38 0.00 -1.30 0.00 0.00 177.93 177.91 1x46 h ALA 65 N 0.90 0.94 -0.64 5.26 0.00 -1.07 -1.32 119.26 123.33 1x46 h ALA 65 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1x46 h ALA 65 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x46 h ALA 65 CO 0.05 0.03 0.08 1.15 0.00 0.00 0.00 179.25 180.55 1x46 h THR 66 N 0.67 1.26 -0.45 0.00 2.02 -0.60 -1.95 112.91 113.86 1x46 h THR 66 Ca 0.32 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1x46 h THR 66 Cb 0.25 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1x46 h THR 66 CO -0.21 0.39 0.27 0.03 0.37 0.00 0.00 175.52 176.37 1x46 h ARG 67 N 1.00 0.52 -0.19 6.66 3.08 -0.55 0.47 114.38 125.37 1x46 h ARG 67 Ca 0.19 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1x46 h ARG 67 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1x46 h ARG 67 CO 0.02 0.35 0.09 0.82 -1.07 0.00 0.00 179.97 180.18 1x46 h ILE 68 N 0.54 1.13 -0.07 2.04 2.04 -1.11 -2.99 117.51 119.08 1x46 h ILE 68 Ca 0.18 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 1x46 h ILE 68 Cb 0.01 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1x46 h ILE 68 CO -0.08 0.12 -0.44 0.58 0.00 0.00 0.00 178.15 178.33 1x46 h VAL 69 N 0.18 1.32 -0.62 1.67 2.07 -1.19 -1.79 116.25 117.89 1x46 h VAL 69 Ca 0.07 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.07 1x46 h VAL 69 Cb 0.11 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1x46 h VAL 69 CO -0.01 0.46 0.32 -1.28 0.02 0.00 0.00 177.57 177.09 1x46 h SER 70 N 0.13 0.47 -0.18 0.57 0.87 -0.77 0.23 113.55 114.88 1x46 h SER 70 Ca 0.01 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 1x46 h SER 70 Cb 0.84 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x46 h SER 70 CO 0.06 0.31 -0.33 0.58 -0.53 0.00 0.00 176.83 176.91 1x46 h VAL 71 N 0.61 1.34 -0.45 2.23 2.07 -1.29 -2.19 116.25 118.56 1x46 h VAL 71 Ca 0.28 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1x46 h VAL 71 Cb 0.19 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1x46 h VAL 71 CO -0.19 0.48 0.30 0.40 0.02 0.00 0.00 177.57 178.58 1x46 h ILE 72 N 0.19 1.11 -0.42 4.57 2.04 -1.01 -0.30 117.51 123.69 1x46 h ILE 72 Ca 0.01 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1x46 h ILE 72 Cb 0.93 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1x46 h ILE 72 CO 0.07 0.11 0.02 0.78 0.00 0.00 0.00 178.15 179.14 1x46 h ASN 73 N 0.61 -0.13 -0.36 1.72 2.35 -0.53 0.38 115.58 119.62 1x46 h ASN 73 Ca 0.17 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1x46 h ASN 73 Cb -0.07 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1x46 h ASN 73 CO -0.04 -0.03 0.12 -0.08 -1.65 0.00 0.00 177.43 175.75 1x46 h GLU 74 N 0.13 0.55 -0.56 0.81 4.81 -1.04 -1.00 114.58 118.30 1x46 h GLU 74 Ca 0.21 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1x46 h GLU 74 Cb 0.29 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1x46 h GLU 74 CO -0.33 0.57 0.35 0.00 -0.73 0.00 0.00 179.01 178.87 1x46 h ALA 75 N 0.96 0.71 -0.31 2.92 0.00 -0.59 -1.61 119.26 121.33 1x46 h ALA 75 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1x46 h ALA 75 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x46 h ALA 75 CO -0.00 0.18 -0.28 0.82 0.00 0.00 0.00 179.25 179.97 1x46 h ILE 76 N 0.75 1.28 -0.52 0.00 2.04 -0.83 -2.30 117.51 117.93 1x46 h ILE 76 Ca 0.20 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.72 1x46 h ILE 76 Cb -0.04 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1x46 h ILE 76 CO -0.04 0.45 0.35 0.00 0.00 0.00 0.00 178.15 178.90 1x46 h ALA 77 N 1.15 1.72 0.00 1.87 0.00 -0.74 -2.23 119.26 121.03 1x46 h ALA 77 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x46 h ALA 77 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x46 h ALA 77 CO 0.06 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1x46 n LEU 78 N -4.47 0.05 -4.78 0.00 4.77 -0.64 -4.87 117.00 107.05 1x46 n LEU 78 Ca 0.06 0.51 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 1x46 n LEU 78 Cb 0.12 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1x46 n LEU 78 CO 0.35 -0.08 0.76 -0.04 -1.33 0.00 0.00 177.39 177.05 1x46 s MET 79 N -3.01 3.65 0.00 3.23 -1.94 -0.84 -4.23 119.30 116.15 1x46 s MET 79 Ca 0.12 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 1x46 s MET 79 Cb 0.16 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1x46 s MET 79 CO 0.47 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 175.30 1x46 n GLY 80 N 0.06 0.33 2.89 -0.03 0.00 -1.26 -5.04 105.19 102.14 1x46 n GLY 80 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1x46 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x46 s VAL 81 N -2.08 0.81 0.23 1.61 1.01 -1.26 -5.05 120.40 115.67 1x46 s VAL 81 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1x46 s VAL 81 Cb 0.00 -0.85 0.21 0.00 0.00 0.00 0.00 36.38 35.75 1x46 s VAL 81 CO 0.00 0.32 1.90 0.00 0.00 0.00 0.00 175.10 177.32 1x46 h ALA 82 N 7.88 1.13 0.00 5.51 0.00 -1.96 -1.76 119.26 130.06 1x46 h ALA 82 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x46 h ALA 82 Cb 1.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x46 h ALA 82 CO 0.39 0.49 0.00 -0.85 0.00 0.00 0.00 179.25 179.28 1x46 n GLU 83 N -4.49 0.15 0.00 0.00 0.00 -1.26 -1.49 120.64 113.55 1x46 n GLU 83 Ca 0.10 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.83 1x46 n GLU 83 Cb 0.04 -1.83 0.20 0.00 0.00 0.00 0.00 31.44 29.85 1x46 n GLU 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1x46 n ASN 84 N -2.12 1.62 -0.15 -1.84 3.02 -0.67 -4.51 115.26 110.61 1x46 n ASN 84 Ca 0.01 -1.27 -0.08 0.00 -0.03 0.00 0.00 54.58 53.21 1x46 n ASN 84 Cb 0.17 0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1x46 n ASN 84 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1x46 h ARG 85 N 2.03 0.62 -0.62 3.52 2.43 -1.19 0.84 114.38 122.01 1x46 h ARG 85 Ca 0.00 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1x46 h ARG 85 Cb 0.65 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1x46 h ARG 85 CO 0.00 0.46 0.35 -1.35 -1.51 0.00 0.00 179.97 177.92 1x46 h PRO 86 N 0.60 0.65 -0.60 0.20 0.11 -1.79 0.59 132.00 131.76 1x46 h PRO 86 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1x46 h PRO 86 Cb 0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1x46 h PRO 86 CO -0.03 0.43 0.29 0.00 -0.21 0.00 0.00 178.00 178.48 1x46 h ALA 87 N 1.31 0.78 -0.27 -0.75 0.00 -1.74 -1.06 119.26 117.54 1x46 h ALA 87 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x46 h ALA 87 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1x46 h ALA 87 CO -0.15 0.34 0.12 1.25 0.00 0.00 0.00 179.25 180.80 1x46 h LEU 88 N 0.83 0.36 -1.48 0.00 5.85 -0.48 -1.68 115.31 118.71 1x46 h LEU 88 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1x46 h LEU 88 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1x46 h LEU 88 CO -0.03 0.41 -0.05 0.11 -0.34 0.00 0.00 178.44 178.55 1x46 h LYS 89 N 0.29 0.28 -0.26 1.25 1.57 -0.69 -1.55 116.57 117.45 1x46 h LYS 89 Ca 0.09 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1x46 h LYS 89 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1x46 h LYS 89 CO -0.01 0.35 -0.44 -0.91 -0.57 0.00 0.00 179.45 177.86 1x46 h ASN 90 N 0.27 0.72 -0.27 0.86 2.35 -0.93 0.11 115.58 118.68 1x46 h ASN 90 Ca 0.06 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1x46 h ASN 90 Cb 0.27 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1x46 h ASN 90 CO 0.01 1.06 0.15 0.58 -1.65 0.00 0.00 177.43 177.57 1x46 h VAL 91 N 0.54 1.01 -0.39 2.81 2.07 -0.80 -1.58 116.25 119.91 1x46 h VAL 91 Ca 0.04 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1x46 h VAL 91 Cb 0.98 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1x46 h VAL 91 CO 0.09 0.06 0.09 -0.07 0.02 0.00 0.00 177.57 177.76 1x46 h LEU 92 N 0.31 0.59 -0.58 2.57 3.38 -1.08 -2.31 115.31 118.19 1x46 h LEU 92 Ca 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1x46 h LEU 92 Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1x46 h LEU 92 CO -0.06 0.68 0.26 0.11 0.09 0.00 0.00 178.44 179.51 1x46 h LYS 93 N 0.49 0.85 -0.69 1.13 1.57 -0.72 -1.62 116.57 117.58 1x46 h LYS 93 Ca 0.12 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1x46 h LYS 93 Cb 0.32 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1x46 h LYS 93 CO 0.00 0.71 0.37 0.37 -0.57 0.00 0.00 179.45 180.34 1x46 h GLN 94 N 0.80 0.96 -0.43 3.15 5.75 -1.17 0.60 115.11 124.77 1x46 h GLN 94 Ca 0.20 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1x46 h GLN 94 Cb 0.16 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1x46 h GLN 94 CO -0.02 0.71 -0.08 1.96 -2.65 0.00 0.00 178.83 178.75 1x46 h GLN 95 N 0.96 0.75 -0.20 1.69 1.08 -0.95 0.20 115.11 118.65 1x46 h GLN 95 Ca 0.24 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1x46 h GLN 95 Cb 0.03 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1x46 h GLN 95 CO -0.04 0.81 0.04 0.78 -0.95 0.00 0.00 178.83 179.47 1x46 h GLY 96 N 0.97 0.35 0.77 3.46 0.00 -0.63 -1.02 103.07 106.96 1x46 h GLY 96 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.26 1x46 h GLY 96 CO 0.03 0.21 0.22 -2.22 0.00 0.00 0.00 176.54 174.78 1x46 h ILE 97 N 0.12 0.97 -0.66 2.60 2.04 -0.68 -0.59 117.51 121.31 1x46 h ILE 97 Ca 0.06 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1x46 h ILE 97 Cb 0.30 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1x46 h ILE 97 CO 0.00 0.08 0.10 0.78 0.00 0.00 0.00 178.15 179.11 1x46 h ASN 98 N 0.44 1.06 1.53 1.72 2.35 -0.83 -2.83 115.58 119.01 1x46 h ASN 98 Ca 0.19 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1x46 h ASN 98 Cb 0.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1x46 h ASN 98 CO -0.14 1.05 -0.28 0.45 -1.65 0.00 0.00 177.43 176.87 1x46 h HIS 99 N 1.03 0.00 -0.83 1.19 3.86 -0.95 -3.03 115.15 116.42 1x46 h HIS 99 Ca 0.20 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1x46 h HIS 99 Cb 0.45 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.87 1x46 h HIS 99 CO 0.03 0.28 0.51 -0.22 0.86 0.00 0.00 177.93 179.39 1x46 h LYS 100 N 0.00 0.91 0.00 2.45 3.64 -0.85 -1.39 116.57 121.32 1x46 h LYS 100 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1x46 h LYS 100 Cb 1.12 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1x46 h LYS 100 CO 0.04 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.23 1x46 n GLY 101 N -1.32 -1.06 0.89 5.01 0.00 -1.14 -2.24 105.19 105.32 1x46 n GLY 101 Ca 0.11 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1x46 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x46 n ARG 102 N -2.09 2.21 -2.06 1.61 1.74 -0.55 -4.97 116.66 112.54 1x46 n ARG 102 Ca 0.01 -2.02 -0.12 0.00 -0.77 0.00 0.00 57.85 54.95 1x46 n ARG 102 Cb 0.15 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 1x46 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x46 n GLY 103 N 1.08 0.15 3.72 -0.13 0.00 -0.95 -5.00 105.19 104.06 1x46 n GLY 103 Ca 0.15 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1x46 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x46 s VAL 104 N -2.59 5.05 0.48 1.61 1.01 -1.07 -5.06 120.40 119.83 1x46 s VAL 104 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.43 1x46 s VAL 104 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1x46 s VAL 104 CO 0.00 0.26 0.67 0.42 0.00 0.00 0.00 175.10 176.45 1x46 s THR 105 N 0.74 2.93 0.21 3.92 -4.23 -1.26 -4.65 115.64 113.29 1x46 s THR 105 Ca 0.36 -0.81 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 1x46 s THR 105 Cb -0.18 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 70.76 1x46 s THR 105 CO 0.18 -0.02 1.82 0.00 -0.54 0.00 0.00 174.62 176.06 1x46 h ALA 106 N 0.37 0.90 -0.72 3.99 0.00 -1.95 -1.98 119.26 119.86 1x46 h ALA 106 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1x46 h ALA 106 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1x46 h ALA 106 CO 0.49 0.10 0.43 0.00 0.00 0.00 0.00 179.25 180.27 1x46 h ALA 107 N 1.33 1.40 -0.75 0.00 0.00 -1.99 -1.36 119.26 117.89 1x46 h ALA 107 Ca 0.29 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1x46 h ALA 107 Cb 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1x46 h ALA 107 CO -0.15 0.52 0.48 0.45 0.00 0.00 0.00 179.25 180.54 1x46 h HIS 108 N 0.99 0.90 -0.81 0.00 -0.00 -1.76 0.99 115.15 115.45 1x46 h HIS 108 Ca 0.26 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.61 1x46 h HIS 108 Cb -0.03 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.05 1x46 h HIS 108 CO 0.00 0.52 0.36 0.74 -0.00 0.00 0.00 177.93 179.56 1x46 h PHE 109 N 0.94 1.20 -0.38 2.45 0.04 -0.82 -1.84 116.94 118.53 1x46 h PHE 109 Ca 0.29 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 1x46 h PHE 109 Cb -0.01 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.75 1x46 h PHE 109 CO -0.03 0.89 0.06 0.93 -0.60 0.00 0.00 178.31 179.56 1x46 h GLU 110 N 1.17 0.57 -0.69 1.51 5.08 -0.45 -0.93 114.58 120.85 1x46 h GLU 110 Ca 0.28 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1x46 h GLU 110 Cb 0.16 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1x46 h GLU 110 CO -0.03 0.55 0.20 0.93 -1.00 0.00 0.00 179.01 179.66 1x46 h GLU 111 N 0.56 1.08 -0.56 2.33 5.08 -0.42 0.69 114.58 123.34 1x46 h GLU 111 Ca 0.13 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1x46 h GLU 111 Cb 0.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1x46 h GLU 111 CO 0.00 0.94 0.26 0.35 -1.00 0.00 0.00 179.01 179.57 1x46 h PHE 112 N 1.01 0.82 -0.25 4.33 3.57 -0.67 -0.81 116.94 124.94 1x46 h PHE 112 Ca 0.22 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1x46 h PHE 112 Cb 0.33 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1x46 h PHE 112 CO 0.03 0.64 0.07 1.49 -2.23 0.00 0.00 178.31 178.30 1x46 h GLU 113 N 0.76 0.17 -0.53 1.11 4.81 -0.77 -0.63 114.58 119.50 1x46 h GLU 113 Ca 0.19 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1x46 h GLU 113 Cb 0.13 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1x46 h GLU 113 CO -0.02 0.11 0.25 1.15 -0.73 0.00 0.00 179.01 179.76 1x46 h THR 114 N 0.17 0.91 -0.46 0.32 2.02 -0.44 0.74 112.91 116.17 1x46 h THR 114 Ca 0.11 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1x46 h THR 114 Cb 0.09 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1x46 h THR 114 CO -0.13 0.09 0.07 0.00 0.37 0.00 0.00 175.52 175.91 1x46 h ALA 115 N 1.31 0.61 -0.81 6.16 0.00 -0.97 -2.14 119.26 123.41 1x46 h ALA 115 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1x46 h ALA 115 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1x46 h ALA 115 CO -0.19 0.34 0.39 1.25 0.00 0.00 0.00 179.25 181.04 1x46 h LEU 116 N 0.63 1.06 -0.57 0.00 5.85 -0.71 -1.31 115.31 120.27 1x46 h LEU 116 Ca 0.14 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1x46 h LEU 116 Cb 0.40 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1x46 h LEU 116 CO 0.01 0.90 0.36 -0.33 -0.34 0.00 0.00 178.44 179.04 1x46 h GLU 117 N 1.16 0.70 -0.73 1.25 5.08 -0.64 0.16 114.58 121.56 1x46 h GLU 117 Ca 0.28 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1x46 h GLU 117 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1x46 h GLU 117 CO -0.03 0.46 0.26 0.00 -1.00 0.00 0.00 179.01 178.69 1x46 h ALA 118 N 1.24 1.07 -0.40 3.43 0.00 -1.05 0.39 119.26 123.93 1x46 h ALA 118 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1x46 h ALA 118 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1x46 h ALA 118 CO -0.08 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 180.12 1x46 h PHE 119 N 1.08 0.82 -0.73 0.00 3.57 -0.69 -1.29 116.94 119.70 1x46 h PHE 119 Ca 0.24 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1x46 h PHE 119 Cb 0.26 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1x46 h PHE 119 CO 0.02 0.84 0.23 -0.07 -2.23 0.00 0.00 178.31 177.10 1x46 h LEU 120 N 0.56 1.06 -1.01 0.59 3.38 -0.49 -0.22 115.31 119.18 1x46 h LEU 120 Ca 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1x46 h LEU 120 Cb 0.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1x46 h LEU 120 CO 0.03 0.98 0.40 -0.08 0.09 0.00 0.00 178.44 179.85 1x46 h GLU 121 N 1.09 1.10 -0.25 1.13 4.81 -0.71 0.66 114.58 122.41 1x46 h GLU 121 Ca 0.24 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1x46 h GLU 121 Cb 0.30 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1x46 h GLU 121 CO -0.01 0.82 -0.51 0.77 -0.73 0.00 0.00 179.01 179.35 1x46 h SER 122 N 1.10 0.78 0.00 1.04 0.02 -0.83 -3.41 113.55 112.25 1x46 h SER 122 Ca 0.27 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1x46 h SER 122 Cb 0.07 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1x46 h SER 122 CO -0.04 1.15 -1.22 1.41 -1.14 0.00 0.00 176.83 176.99 1x46 n HIS 123 N -3.99 0.00 -2.87 3.45 8.25 -0.13 -4.94 115.22 114.99 1x46 n HIS 123 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 1x46 n HIS 123 Cb 0.60 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 1x46 n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x46 s ALA 124 N -2.30 3.27 0.27 -1.41 0.00 0.20 -4.94 121.76 116.85 1x46 s ALA 124 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1x46 s ALA 124 Cb 0.03 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 1x46 s ALA 124 CO 0.19 -1.97 1.41 -1.13 0.00 0.00 0.00 175.76 174.27 1x46 n SER 125 N 6.97 2.93 0.00 0.00 3.41 -1.26 -2.04 113.62 123.63 1x46 n SER 125 Ca 0.05 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1x46 n SER 125 Cb 0.48 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1x46 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x46 n GLY 126 N 1.89 0.54 3.67 5.00 0.00 -1.26 -4.99 105.19 110.04 1x46 n GLY 126 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1x46 n GLY 126 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1x46 n TYR 127 N -2.80 2.20 -3.52 1.61 9.36 -0.86 -4.95 117.16 118.20 1x46 n TYR 127 Ca 0.00 0.39 -0.01 0.00 3.32 0.00 0.00 57.90 61.60 1x46 n TYR 127 Cb 0.03 -2.48 -0.00 0.00 -0.63 0.00 0.00 39.34 36.25 1x46 n TYR 127 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1x46 n ASN 128 N 2.51 -0.10 0.25 2.98 0.23 -1.26 -5.01 115.26 114.87 1x46 n ASN 128 Ca 0.13 -1.13 0.08 0.00 -0.53 0.00 0.00 54.58 53.13 1x46 n ASN 128 Cb 0.31 0.19 0.63 0.00 -2.08 0.00 0.00 39.78 38.83 1x46 n ASN 128 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x46 h ALA 129 N 1.55 1.99 -0.43 -2.53 0.00 -1.99 -1.19 119.26 116.66 1x46 h ALA 129 Ca -0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1x46 h ALA 129 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x46 h ALA 129 CO 0.03 0.01 -0.23 0.78 0.00 0.00 0.00 179.25 179.84 1x46 h GLY 130 N 0.02 1.00 0.99 0.00 0.00 -1.97 -0.24 103.07 102.88 1x46 h GLY 130 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1x46 h GLY 130 CO -0.00 0.83 0.22 -0.84 0.00 0.00 0.00 176.54 176.74 1x46 h THR 131 N 0.75 1.11 -0.57 4.70 2.02 -1.64 -0.69 112.91 118.60 1x46 h THR 131 Ca 0.09 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1x46 h THR 131 Cb 0.80 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1x46 h THR 131 CO 0.07 0.10 0.28 0.50 0.37 0.00 0.00 175.52 176.84 1x46 h LYS 132 N 0.46 0.81 -0.82 6.66 3.64 -1.09 -1.71 116.57 124.53 1x46 h LYS 132 Ca 0.13 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1x46 h LYS 132 Cb -0.02 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1x46 h LYS 132 CO -0.03 0.65 0.53 -0.22 -2.27 0.00 0.00 179.45 178.12 1x46 h LYS 133 N 0.76 1.08 -0.07 1.90 3.64 -0.83 -0.34 116.57 122.72 1x46 h LYS 133 Ca 0.20 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1x46 h LYS 133 Cb 0.10 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1x46 h LYS 133 CO -0.03 0.72 0.03 0.00 -2.27 0.00 0.00 179.45 177.91 1x46 h ALA 134 N 1.29 0.09 -0.44 5.00 0.00 -0.76 -1.84 119.26 122.61 1x46 h ALA 134 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1x46 h ALA 134 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1x46 h ALA 134 CO -0.06 -0.32 0.14 -1.49 0.00 0.00 0.00 179.25 177.52 1x46 h TRP 135 N -0.04 0.64 -0.78 0.00 4.06 -1.16 -1.88 115.95 116.78 1x46 h TRP 135 Ca 0.02 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.95 1x46 h TRP 135 Cb 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 1x46 h TRP 135 CO -0.02 0.53 0.51 -0.44 -3.56 0.00 0.00 178.44 175.46 1x46 h ASP 136 N 0.63 0.89 -0.54 -3.49 3.32 -0.77 0.73 116.42 117.20 1x46 h ASP 136 Ca 0.15 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1x46 h ASP 136 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1x46 h ASP 136 CO -0.01 0.64 -0.12 0.28 -1.72 0.00 0.00 179.24 178.31 1x46 h SER 137 N 1.05 1.04 -0.13 6.45 0.02 -0.88 -0.24 113.55 120.85 1x46 h SER 137 Ca 0.29 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1x46 h SER 137 Cb -0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1x46 h SER 137 CO -0.07 1.15 0.04 0.00 -1.14 0.00 0.00 176.83 176.81 1x46 h ALA 138 N 0.94 0.17 -0.84 3.77 0.00 -0.92 -2.49 119.26 119.88 1x46 h ALA 138 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x46 h ALA 138 Cb 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1x46 h ALA 138 CO 0.05 -0.22 0.47 0.74 0.00 0.00 0.00 179.25 180.30 1x46 h PHE 139 N 0.03 1.15 -0.50 0.00 0.04 -0.75 -0.39 116.94 116.52 1x46 h PHE 139 Ca 0.04 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.89 1x46 h PHE 139 Cb 0.21 -0.37 -0.08 0.00 2.20 0.00 0.00 35.95 37.91 1x46 h PHE 139 CO -0.00 0.79 0.02 -0.97 -0.60 0.00 0.00 178.31 177.55 1x46 h ASN 140 N 1.17 -0.17 -0.36 2.17 -0.73 -0.95 0.75 115.58 117.47 1x46 h ASN 140 Ca 0.30 0.11 -0.10 0.00 1.87 0.00 0.00 56.30 58.48 1x46 h ASN 140 Cb 0.01 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1x46 h ASN 140 CO -0.05 -0.05 -0.18 0.78 -0.37 0.00 0.00 177.43 177.56 1x46 h ASN 141 N 0.14 0.78 -0.27 1.15 2.35 -1.00 -1.09 115.58 117.64 1x46 h ASN 141 Ca 0.25 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1x46 h ASN 141 Cb 0.38 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1x46 h ASN 141 CO -0.40 1.01 -0.09 -0.03 -1.65 0.00 0.00 177.43 176.27 1x46 h MET 142 N 0.54 -0.03 -0.31 0.81 1.85 -0.65 -2.48 114.93 114.65 1x46 h MET 142 Ca 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1x46 h MET 142 Cb 0.72 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.74 1x46 h MET 142 CO 0.05 -0.02 0.14 1.88 -0.40 0.00 0.00 176.91 178.56 1x46 h TYR 143 N -0.04 0.42 0.00 1.39 0.05 -0.60 0.12 116.97 118.31 1x46 h TYR 143 Ca 0.13 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1x46 h TYR 143 Cb 0.24 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1x46 h TYR 143 CO -0.28 0.32 -0.03 0.66 -1.05 0.00 0.00 178.16 177.78 1x46 h SER 144 N 0.43 0.00 0.00 3.88 4.64 -0.72 0.02 113.55 121.80 1x46 h SER 144 Ca 0.11 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.05 1x46 h SER 144 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 1x46 h SER 144 CO -0.01 0.03 -2.43 0.52 -0.87 0.00 0.00 176.83 174.06 1x46 n VAL 145 N -4.25 1.44 0.01 0.95 0.31 -0.86 -4.56 118.33 111.37 1x46 n VAL 145 Ca -0.03 -0.68 -0.18 0.00 -0.01 0.00 0.00 64.34 63.45 1x46 n VAL 145 Cb 0.11 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.87 1x46 n VAL 145 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1x46 h VAL 146 N 0.00 1.50 -0.76 2.52 2.07 -0.59 -3.37 116.25 117.62 1x46 h VAL 146 Ca -0.56 -2.24 0.08 0.00 0.82 0.00 0.00 66.70 64.80 1x46 h VAL 146 Cb 2.03 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 34.63 1x46 h VAL 146 CO -0.04 0.63 0.42 -0.26 0.02 0.00 0.00 177.57 178.34 1x46 h PHE 147 N -0.33 0.77 0.00 1.57 -1.00 -1.22 -0.54 116.94 116.19 1x46 h PHE 147 Ca -0.09 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1x46 h PHE 147 Cb 1.36 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1x46 h PHE 147 CO 0.18 0.32 0.00 -1.35 -1.61 0.00 0.00 178.31 175.85 1x46 h PRO 148 N 0.73 0.00 -0.01 1.51 0.11 -1.77 -1.44 132.00 131.14 1x46 h PRO 148 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1x46 h PRO 148 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1x46 h PRO 148 CO -0.23 0.00 -0.42 0.39 -0.21 0.00 0.00 178.00 177.53 1x46 n GLU 149 N -2.48 0.53 0.00 1.05 -0.58 -0.22 -5.12 120.64 113.83 1x46 n GLU 149 Ca -0.01 -0.34 0.14 0.00 -0.42 0.00 0.00 57.16 56.52 1x46 n GLU 149 Cb 0.09 -1.49 0.48 0.00 -0.57 0.00 0.00 31.44 29.94 1x46 n GLU 149 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93