#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r50 n VAL 12 N 0.00 -5.88 -1.60 3.34 0.31 -1.26 -4.83 118.33 108.42 2r50 n VAL 12 Ca 0.00 0.80 -0.39 0.00 -0.01 0.00 0.00 64.34 64.74 2r50 n VAL 12 Cb 0.00 -4.64 -0.03 0.00 -0.91 0.00 0.00 33.84 28.26 2r50 n VAL 12 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2r50 s PHE 13 N -0.32 1.13 0.00 3.52 5.36 -1.26 -4.93 117.98 121.49 2r50 s PHE 13 Ca -0.06 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2r50 s PHE 13 Cb 0.00 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 2r50 s PHE 13 CO 0.25 -3.11 0.00 0.41 -1.46 0.00 0.00 175.22 171.32 2r50 n GLY 14 N 5.90 4.95 0.19 13.12 0.00 -1.26 -4.03 105.19 124.06 2r50 n GLY 14 Ca 0.33 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 2r50 n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r50 h GLU 15 N 0.00 0.35 0.41 1.61 4.81 -1.94 -2.74 114.58 117.08 2r50 h GLU 15 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2r50 h GLU 15 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2r50 h GLU 15 CO 0.00 0.23 -0.20 0.93 -0.73 0.00 0.00 179.01 179.25 2r50 h GLU 16 N 0.36 -0.53 -0.73 1.92 5.08 -1.97 -1.70 114.58 117.00 2r50 h GLU 16 Ca 0.22 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2r50 h GLU 16 Cb 0.20 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2r50 h GLU 16 CO -0.21 -0.35 0.45 1.96 -1.00 0.00 0.00 179.01 179.86 2r50 h GLN 17 N -0.55 0.82 0.22 2.33 7.50 -1.95 -2.03 115.11 121.45 2r50 h GLN 17 Ca -0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 2r50 h GLN 17 Cb 0.42 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 2r50 h GLN 17 CO 0.09 0.54 -0.17 1.49 -1.50 0.00 0.00 178.83 179.28 2r50 h GLU 18 N 0.84 -0.39 -0.89 1.46 4.81 -1.33 -2.73 114.58 116.35 2r50 h GLU 18 Ca 0.31 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.72 2r50 h GLU 18 Cb 0.10 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.48 2r50 h GLU 18 CO -0.14 -0.26 0.49 0.00 -0.73 0.00 0.00 179.01 178.36 2r50 h ALA 19 N 0.34 1.37 -0.95 2.92 0.00 -0.85 0.84 119.26 122.93 2r50 h ALA 19 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2r50 h ALA 19 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2r50 h ALA 19 CO -0.01 -0.05 0.63 -0.07 0.00 0.00 0.00 179.25 179.75 2r50 h LEU 20 N 0.69 1.07 -0.04 0.00 3.38 -1.09 -1.28 115.31 118.03 2r50 h LEU 20 Ca 0.49 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 2r50 h LEU 20 Cb 0.67 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2r50 h LEU 20 CO -0.35 0.75 -0.34 0.58 0.09 0.00 0.00 178.44 179.17 2r50 h VAL 21 N 1.25 1.45 -0.01 1.22 2.07 -0.65 -2.51 116.25 119.07 2r50 h VAL 21 Ca 0.36 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2r50 h VAL 21 Cb -0.07 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2r50 h VAL 21 CO -0.10 0.52 0.00 -0.07 0.02 0.00 0.00 177.57 177.94 2r50 h LEU 22 N -0.24 0.02 -0.23 2.57 4.07 -1.00 0.28 115.31 120.77 2r50 h LEU 22 Ca -0.03 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.72 2r50 h LEU 22 Cb 1.02 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2r50 h LEU 22 CO 0.07 0.23 0.14 0.50 -1.08 0.00 0.00 178.44 178.30 2r50 h LYS 23 N -0.20 0.28 -0.77 1.13 3.64 -1.34 -0.60 116.57 118.71 2r50 h LYS 23 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2r50 h LYS 23 Cb 0.22 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2r50 h LYS 23 CO -0.00 0.18 0.26 0.66 -2.27 0.00 0.00 179.45 178.28 2r50 h SER 24 N 0.28 1.10 -0.13 4.20 4.64 -1.42 -2.42 113.55 119.81 2r50 h SER 24 Ca 0.09 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 2r50 h SER 24 Cb -0.01 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 2r50 h SER 24 CO -0.04 1.01 -0.11 -0.25 -0.87 0.00 0.00 176.83 176.56 2r50 h TRP 25 N 1.14 0.51 -0.32 4.77 2.91 -0.49 -1.29 115.95 123.17 2r50 h TRP 25 Ca 0.25 -0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.15 2r50 h TRP 25 Cb 0.29 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 2r50 h TRP 25 CO 0.02 0.58 -0.02 0.00 -1.03 0.00 0.00 178.44 178.00 2r50 h ALA 26 N 1.44 1.38 -0.10 2.65 0.00 -0.72 0.11 119.26 124.03 2r50 h ALA 26 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2r50 h ALA 26 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2r50 h ALA 26 CO 0.03 0.43 -0.24 0.28 0.00 0.00 0.00 179.25 179.75 2r50 h VAL 27 N 0.48 1.40 0.00 0.00 2.07 -0.90 -3.35 116.25 115.95 2r50 h VAL 27 Ca 0.10 -1.55 -0.18 0.00 0.82 0.00 0.00 66.70 65.89 2r50 h VAL 27 Cb 0.34 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2r50 h VAL 27 CO 0.01 0.45 -0.85 0.24 0.02 0.00 0.00 177.57 177.44 2r50 h MET 28 N -0.11 0.07 -1.03 1.57 2.86 -0.91 -3.13 114.93 114.26 2r50 h MET 28 Ca -0.00 -0.08 0.27 0.00 -2.06 0.00 0.00 59.70 57.83 2r50 h MET 28 Cb 0.84 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.40 2r50 h MET 28 CO 0.05 0.88 0.63 -0.22 1.06 0.00 0.00 176.91 179.31 2r50 h LYS 29 N 0.04 0.45 -0.57 1.72 3.64 -0.92 -0.88 116.57 120.05 2r50 h LYS 29 Ca -0.02 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 2r50 h LYS 29 Cb 1.49 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 2r50 h LYS 29 CO 0.12 0.30 0.40 0.87 -2.27 0.00 0.00 179.45 178.87 2r50 h LYS 30 N 0.47 0.12 -0.64 1.90 1.57 -1.71 -2.12 116.57 116.16 2r50 h LYS 30 Ca 0.65 -0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 58.97 2r50 h LYS 30 Cb 1.44 -0.03 -0.32 0.00 0.08 0.00 0.00 32.23 33.40 2r50 h LYS 30 CO -0.44 0.08 -0.50 -3.47 -0.57 0.00 0.00 179.45 174.56 2r50 n ASP 31 N -4.41 4.58 -0.14 0.86 2.03 -0.34 -4.90 116.55 114.21 2r50 n ASP 31 Ca 0.10 -3.78 0.01 0.00 0.52 0.00 0.00 54.79 51.64 2r50 n ASP 31 Cb 0.56 -0.47 0.29 0.00 -0.72 0.00 0.00 41.12 40.77 2r50 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2r50 h ALA 32 N 1.88 1.49 0.88 -1.67 0.00 -1.31 0.88 119.26 121.41 2r50 h ALA 32 Ca 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2r50 h ALA 32 Cb 1.39 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2r50 h ALA 32 CO 0.72 0.45 -0.42 0.00 0.00 0.00 0.00 179.25 179.99 2r50 h ALA 33 N 1.56 -1.30 -0.36 0.00 0.00 -1.90 -0.32 119.26 116.94 2r50 h ALA 33 Ca 0.23 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2r50 h ALA 33 Cb -0.04 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2r50 h ALA 33 CO -0.04 -1.21 0.26 -0.97 0.00 0.00 0.00 179.25 177.29 2r50 h ASN 34 N -1.20 0.03 0.17 0.00 -1.24 -1.92 -2.55 115.58 108.87 2r50 h ASN 34 Ca -0.12 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 2r50 h ASN 34 Cb 0.91 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2r50 h ASN 34 CO 0.20 0.02 -0.08 0.25 -1.29 0.00 0.00 177.43 176.52 2r50 h LEU 35 N 0.03 -0.20 -0.82 0.34 6.46 -0.32 -2.38 115.31 118.42 2r50 h LEU 35 Ca 0.17 -0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2r50 h LEU 35 Cb 0.65 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2r50 h LEU 35 CO -0.01 0.06 -0.20 1.23 -0.62 0.00 0.00 178.44 178.91 2r50 h GLY 36 N -0.46 0.72 0.86 3.75 0.00 -0.83 -0.89 103.07 106.22 2r50 h GLY 36 Ca -0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 2r50 h GLY 36 CO 0.04 0.53 0.05 -2.00 0.00 0.00 0.00 176.54 175.16 2r50 h LEU 37 N 0.59 0.37 -1.27 3.11 5.85 -1.46 -2.28 115.31 120.21 2r50 h LEU 37 Ca 0.09 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2r50 h LEU 37 Cb 0.66 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2r50 h LEU 37 CO 0.05 0.52 0.50 -0.09 -0.34 0.00 0.00 178.44 179.08 2r50 h ARG 38 N 0.20 0.94 0.61 1.25 2.43 -1.27 -1.62 114.38 116.93 2r50 h ARG 38 Ca 0.07 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2r50 h ARG 38 Cb 0.30 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2r50 h ARG 38 CO 0.00 0.62 -0.29 0.35 -1.51 0.00 0.00 179.97 179.14 2r50 h PHE 39 N 0.97 -0.76 0.00 2.20 3.57 -0.82 -2.13 116.94 119.97 2r50 h PHE 39 Ca 0.30 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2r50 h PHE 39 Cb -0.01 0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2r50 h PHE 39 CO -0.00 -0.45 0.00 1.19 -2.23 0.00 0.00 178.31 176.82 2r50 n PHE 40 N -5.42 0.43 -0.01 0.41 3.01 -0.89 -2.06 117.46 112.93 2r50 n PHE 40 Ca -0.13 0.14 -0.18 0.00 1.01 0.00 0.00 57.45 58.30 2r50 n PHE 40 Cb 0.35 -0.73 -0.08 0.00 -0.01 0.00 0.00 39.48 39.01 2r50 n PHE 40 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2r50 h LEU 41 N 0.00 0.82 -0.51 4.37 3.38 -1.14 0.33 115.31 122.56 2r50 h LEU 41 Ca 0.00 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.32 2r50 h LEU 41 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2r50 h LEU 41 CO 0.00 1.35 0.33 0.50 0.09 0.00 0.00 178.44 180.71 2r50 h LYS 42 N 0.34 0.65 -0.21 1.13 1.63 -1.14 -0.81 116.57 118.17 2r50 h LYS 42 Ca -0.06 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2r50 h LYS 42 Cb 1.38 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.82 2r50 h LYS 42 CO 0.15 0.43 -0.07 0.28 -3.45 0.00 0.00 179.45 176.79 2r50 h VAL 43 N 0.67 0.74 0.00 2.00 2.07 -0.90 -1.66 116.25 119.17 2r50 h VAL 43 Ca 0.19 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 2r50 h VAL 43 Cb -0.06 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2r50 h VAL 43 CO -0.05 0.00 -0.26 -0.26 0.02 0.00 0.00 177.57 177.02 2r50 h PHE 44 N -0.03 0.00 -0.27 1.57 0.04 -0.76 -0.66 116.94 116.83 2r50 h PHE 44 Ca 0.11 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2r50 h PHE 44 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2r50 h PHE 44 CO -0.24 0.26 -0.07 1.49 -0.60 0.00 0.00 178.31 179.15 2r50 h GLU 45 N 0.00 0.52 -0.27 1.51 4.81 -0.74 -1.14 114.58 119.28 2r50 h GLU 45 Ca -0.00 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.86 2r50 h GLU 45 Cb 0.66 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2r50 h GLU 45 CO 0.03 0.74 -0.47 0.82 -0.73 0.00 0.00 179.01 179.41 2r50 h ILE 46 N 0.27 1.29 -2.28 2.32 2.04 -1.05 -3.40 117.51 116.70 2r50 h ILE 46 Ca 0.07 -1.66 -0.58 0.00 1.00 0.00 0.00 64.86 63.68 2r50 h ILE 46 Cb 0.55 1.67 -0.39 0.00 -0.74 0.00 0.00 36.82 37.92 2r50 h ILE 46 CO 0.03 0.54 -0.99 0.00 0.00 0.00 0.00 178.15 177.72 2r50 n ALA 47 N -2.55 2.79 -0.07 1.87 0.00 -0.28 -4.99 120.51 117.28 2r50 n ALA 47 Ca -0.05 -3.31 0.23 0.00 0.00 0.00 0.00 53.44 50.32 2r50 n ALA 47 Cb 0.58 -0.79 0.69 0.00 0.00 0.00 0.00 19.45 19.94 2r50 n ALA 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2r50 h PRO 48 N 5.09 0.02 -0.15 0.00 0.11 -1.43 -0.17 132.00 135.47 2r50 h PRO 48 Ca 0.20 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.35 2r50 h PRO 48 Cb 0.89 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2r50 h PRO 48 CO 0.43 0.01 0.14 0.66 -0.21 0.00 0.00 178.00 179.03 2r50 h SER 49 N 0.02 0.00 0.21 -2.05 4.64 -1.94 -1.17 113.55 113.26 2r50 h SER 49 Ca 0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2r50 h SER 49 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2r50 h SER 49 CO -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.94 2r50 h ALA 50 N 1.86 1.09 -0.44 5.18 0.00 -1.38 -2.82 119.26 122.75 2r50 h ALA 50 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2r50 h ALA 50 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2r50 h ALA 50 CO -0.00 0.02 -0.01 0.87 0.00 0.00 0.00 179.25 180.12 2r50 h LYS 51 N 0.00 0.73 0.00 0.00 1.57 -1.40 -2.07 116.57 115.40 2r50 h LYS 51 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2r50 h LYS 51 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2r50 h LYS 51 CO 0.00 0.75 0.00 1.04 -0.57 0.00 0.00 179.45 180.68 2r50 n GLN 52 N -4.22 0.10 0.15 3.15 1.13 -1.06 -1.88 117.38 114.75 2r50 n GLN 52 Ca 0.02 0.23 0.06 0.00 -1.94 0.00 0.00 57.00 55.37 2r50 n GLN 52 Cb 0.30 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.20 2r50 n GLN 52 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2r50 h MET 53 N 0.00 0.00 0.00 -1.09 2.86 -1.55 -3.54 114.93 111.61 2r50 h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2r50 h MET 53 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2r50 h MET 53 CO 0.00 0.26 0.00 1.19 1.06 0.00 0.00 176.91 179.42 2r50 n PHE 54 N -3.09 0.00 0.05 -0.22 3.01 -0.79 -5.01 117.46 111.42 2r50 n PHE 54 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2r50 n PHE 54 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2r50 n PHE 54 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2r50 n LEU 64 N 0.00 0.75 0.15 4.37 4.77 -1.26 -5.04 117.00 120.75 2r50 n LEU 64 Ca 0.00 0.14 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2r50 n LEU 64 Cb 0.00 -0.20 0.31 0.00 -2.33 0.00 0.00 43.42 41.20 2r50 n LEU 64 CO 0.00 -0.70 0.69 -0.33 -1.33 0.00 0.00 177.39 175.72 2r50 h GLU 65 N 0.00 0.07 -0.02 3.23 3.07 -2.05 -3.25 114.58 115.64 2r50 h GLU 65 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2r50 h GLU 65 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2r50 h GLU 65 CO 0.00 0.45 0.00 1.63 -1.40 0.00 0.00 179.01 179.69 2r50 n LYS 66 N -4.06 1.38 -2.75 2.33 5.02 -1.26 -4.86 118.16 113.96 2r50 n LYS 66 Ca -0.02 -0.56 -0.43 0.00 -2.02 0.00 0.00 58.31 55.29 2r50 n LYS 66 Cb 0.43 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 2r50 n LYS 66 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2r50 s ASN 67 N -1.93 6.60 0.41 4.39 3.84 -1.23 -4.93 114.94 122.10 2r50 s ASN 67 Ca 0.40 0.38 0.16 0.00 0.21 0.00 0.00 52.86 54.01 2r50 s ASN 67 Cb 0.20 -2.49 0.89 0.00 -0.55 0.00 0.00 41.25 39.31 2r50 s ASN 67 CO 0.33 -1.05 1.89 1.55 -2.79 0.00 0.00 177.10 177.03 2r50 h PRO 68 N 8.92 0.00 -0.03 0.43 0.13 -1.93 -2.30 132.00 137.22 2r50 h PRO 68 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2r50 h PRO 68 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2r50 h PRO 68 CO 1.04 0.30 -0.09 -0.22 -0.23 0.00 0.00 178.00 178.80 2r50 h LYS 69 N 0.00 0.05 -0.15 0.86 3.11 -1.98 0.24 116.57 118.70 2r50 h LYS 69 Ca -0.00 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 2r50 h LYS 69 Cb 0.57 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2r50 h LYS 69 CO 0.04 0.14 -0.26 1.25 -2.81 0.00 0.00 179.45 177.81 2r50 h LEU 70 N 0.05 0.49 -0.61 5.20 6.46 -1.80 -2.41 115.31 122.70 2r50 h LEU 70 Ca 0.01 -0.54 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 2r50 h LEU 70 Cb 0.19 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 2r50 h LEU 70 CO 0.01 0.94 0.29 0.11 -0.62 0.00 0.00 178.44 179.17 2r50 h LYS 71 N 0.06 0.87 -0.88 1.25 1.57 -1.34 -2.40 116.57 115.71 2r50 h LYS 71 Ca 0.01 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2r50 h LYS 71 Cb 0.84 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 2r50 h LYS 71 CO 0.06 0.71 0.57 1.15 -0.57 0.00 0.00 179.45 181.36 2r50 h THR 72 N 0.83 1.14 -0.39 -0.16 2.02 -0.50 -1.66 112.91 114.20 2r50 h THR 72 Ca 0.21 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2r50 h THR 72 Cb 0.12 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2r50 h THR 72 CO -0.03 0.20 0.04 -0.74 0.37 0.00 0.00 175.52 175.37 2r50 h HIS 73 N 1.10 0.70 -0.28 3.16 -0.00 -1.20 -2.61 115.15 116.02 2r50 h HIS 73 Ca 0.35 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 2r50 h HIS 73 Cb 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 2r50 h HIS 73 CO -0.02 0.71 0.01 0.00 -0.00 0.00 0.00 177.93 178.63 2r50 h ALA 74 N 0.90 1.50 -0.21 5.26 0.00 -1.06 -2.15 119.26 123.50 2r50 h ALA 74 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2r50 h ALA 74 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2r50 h ALA 74 CO 0.01 0.36 0.08 0.52 0.00 0.00 0.00 179.25 180.22 2r50 h MET 75 N 0.40 0.32 -0.71 0.00 2.86 -1.15 -2.73 114.93 113.92 2r50 h MET 75 Ca 0.09 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 2r50 h MET 75 Cb 0.26 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.79 2r50 h MET 75 CO 0.01 0.39 0.34 0.77 1.06 0.00 0.00 176.91 179.48 2r50 h SER 76 N 0.18 0.42 -0.27 1.22 0.02 -1.03 0.18 113.55 114.27 2r50 h SER 76 Ca 0.07 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2r50 h SER 76 Cb 0.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2r50 h SER 76 CO -0.00 0.23 0.08 0.58 -1.14 0.00 0.00 176.83 176.58 2r50 h VAL 77 N 0.56 0.91 -0.01 2.27 2.07 -1.28 0.39 116.25 121.16 2r50 h VAL 77 Ca 0.36 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2r50 h VAL 77 Cb 0.41 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2r50 h VAL 77 CO -0.29 0.04 -0.00 -0.26 0.02 0.00 0.00 177.57 177.07 2r50 h PHE 78 N 0.20 0.02 0.06 1.57 0.04 -1.12 -2.05 116.94 115.66 2r50 h PHE 78 Ca 0.12 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2r50 h PHE 78 Cb 0.10 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2r50 h PHE 78 CO -0.14 0.36 -0.03 0.28 -0.60 0.00 0.00 178.31 178.18 2r50 h VAL 79 N -0.33 1.04 0.00 -0.55 2.07 -0.61 -1.50 116.25 116.37 2r50 h VAL 79 Ca 0.00 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2r50 h VAL 79 Cb 0.36 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2r50 h VAL 79 CO 0.00 0.08 -0.10 0.24 0.02 0.00 0.00 177.57 177.82 2r50 h MET 80 N -0.23 0.00 -0.10 1.57 2.86 -0.99 -0.86 114.93 117.18 2r50 h MET 80 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 2r50 h MET 80 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2r50 h MET 80 CO 0.01 0.10 -0.78 1.15 1.06 0.00 0.00 176.91 178.45 2r50 h THR 81 N 0.00 1.33 -0.27 2.22 2.02 -1.08 -0.31 112.91 116.82 2r50 h THR 81 Ca -0.00 -2.10 -0.12 0.00 0.77 0.00 0.00 66.41 64.96 2r50 h THR 81 Cb 0.24 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2r50 h THR 81 CO 0.01 0.65 -0.34 0.00 0.37 0.00 0.00 175.52 176.21 2r50 h GLU 83 N 0.50 0.23 -0.62 0.00 5.08 -1.09 -2.72 114.58 115.95 2r50 h GLU 83 Ca 0.05 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2r50 h GLU 83 Cb 0.82 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2r50 h GLU 83 CO 0.07 0.95 0.31 0.00 -1.00 0.00 0.00 179.01 179.34 2r50 h ALA 84 N 0.96 1.37 -0.55 3.43 0.00 -0.53 -1.56 119.26 122.39 2r50 h ALA 84 Ca -0.04 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2r50 h ALA 84 Cb 1.48 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2r50 h ALA 84 CO 0.13 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.18 2r50 h ALA 85 N 1.47 0.71 -0.41 0.00 0.00 -1.01 -0.60 119.26 119.42 2r50 h ALA 85 Ca 0.22 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2r50 h ALA 85 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2r50 h ALA 85 CO -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 2r50 h ALA 86 N 1.28 0.57 -0.05 0.00 0.00 -1.15 -3.05 119.26 116.85 2r50 h ALA 86 Ca 0.24 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2r50 h ALA 86 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2r50 h ALA 86 CO -0.14 0.48 -0.69 1.96 0.00 0.00 0.00 179.25 180.86 2r50 h GLN 87 N 0.63 0.25 -0.45 0.00 1.08 -1.30 -0.48 115.11 114.84 2r50 h GLN 87 Ca 0.10 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2r50 h GLN 87 Cb 0.69 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 2r50 h GLN 87 CO 0.05 0.85 0.08 -0.07 -0.95 0.00 0.00 178.83 178.78 2r50 h LEU 88 N 0.17 0.65 0.02 1.46 3.38 -1.12 -0.05 115.31 119.81 2r50 h LEU 88 Ca -0.02 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2r50 h LEU 88 Cb 1.24 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2r50 h LEU 88 CO 0.11 0.67 -0.46 -0.09 0.09 0.00 0.00 178.44 178.75 2r50 h ARG 89 N 0.67 0.28 0.00 1.13 2.43 -1.46 -3.04 114.38 114.39 2r50 h ARG 89 Ca 0.15 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2r50 h ARG 89 Cb 0.30 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2r50 h ARG 89 CO 0.00 1.04 -0.16 1.17 -1.51 0.00 0.00 179.97 180.52 2r50 n LYS 90 N -4.34 0.05 0.00 0.20 4.81 -0.20 -4.36 118.16 114.33 2r50 n LYS 90 Ca -0.11 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2r50 n LYS 90 Cb 0.62 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.12 2r50 n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2r50 n ALA 91 N -1.56 0.42 0.00 3.14 0.00 -0.05 -5.01 120.51 117.45 2r50 n ALA 91 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2r50 n ALA 91 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2r50 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r50 n GLY 92 N 0.00 2.84 3.71 0.00 0.00 -1.15 -4.94 105.19 105.64 2r50 n GLY 92 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2r50 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r50 s LYS 93 N -0.16 0.99 0.71 1.61 -2.85 -1.22 -4.88 119.74 113.94 2r50 s LYS 93 Ca 0.00 -0.54 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 2r50 s LYS 93 Cb 0.00 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2r50 s LYS 93 CO 0.00 -0.45 0.87 0.28 0.10 0.00 0.00 175.35 176.15 2r50 n VAL 94 N -0.46 2.61 -4.30 1.79 0.31 -1.26 -4.08 118.33 112.96 2r50 n VAL 94 Ca -0.07 -0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 2r50 n VAL 94 Cb 0.61 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.42 2r50 n VAL 94 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2r50 s THR 95 N -1.83 1.22 -1.07 2.52 -1.32 -1.26 -5.00 115.64 108.91 2r50 s THR 95 Ca 0.72 -2.08 -0.13 0.00 -1.21 0.00 0.00 61.69 58.99 2r50 s THR 95 Cb -0.35 -2.06 -0.08 0.00 -1.51 0.00 0.00 72.50 68.51 2r50 s THR 95 CO 0.52 -0.58 2.20 1.33 -2.21 0.00 0.00 174.62 175.88 2r50 n VAL 96 N -0.31 2.69 -4.55 5.08 0.24 -1.26 -4.87 118.33 115.35 2r50 n VAL 96 Ca -0.08 -1.92 -0.32 0.00 -2.04 0.00 0.00 64.34 59.97 2r50 n VAL 96 Cb 0.62 -2.34 -0.16 0.00 -1.47 0.00 0.00 33.84 30.48 2r50 n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r50 s ARG 97 N 3.70 2.92 0.00 7.34 1.70 -1.26 -4.63 118.95 128.71 2r50 s ARG 97 Ca 0.51 -0.81 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2r50 s ARG 97 Cb 0.13 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2r50 s ARG 97 CO 0.00 -0.05 0.00 0.39 -1.08 0.00 0.00 175.30 174.56 2r50 n GLU 98 N 4.18 0.00 0.00 3.89 1.02 -1.26 -4.93 120.64 123.55 2r50 n GLU 98 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2r50 n GLU 98 Cb 0.51 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2r50 n GLU 98 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2r50 n THR 99 N -0.07 0.00 -4.10 2.62 -2.24 -1.26 -5.19 114.28 104.04 2r50 n THR 99 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2r50 n THR 99 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2r50 n THR 99 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2r50 s THR 100 N -0.00 0.46 0.35 4.28 2.01 -1.26 -4.76 115.64 116.73 2r50 s THR 100 Ca 0.00 -1.59 0.06 0.00 0.31 0.00 0.00 61.69 60.47 2r50 s THR 100 Cb 0.00 -1.23 0.30 0.00 0.01 0.00 0.00 72.50 71.57 2r50 s THR 100 CO 0.00 -0.75 1.94 -0.07 -0.69 0.00 0.00 174.62 175.04 2r50 h LEU 101 N 3.55 0.70 -0.16 4.42 3.38 -1.92 -0.98 115.31 124.30 2r50 h LEU 101 Ca -0.35 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.48 2r50 h LEU 101 Cb 1.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2r50 h LEU 101 CO 0.57 0.44 -0.51 0.11 0.09 0.00 0.00 178.44 179.13 2r50 h LYS 102 N 0.78 0.62 -0.25 1.13 6.56 -1.93 0.21 116.57 123.69 2r50 h LYS 102 Ca 0.34 -0.46 0.04 0.00 -1.06 0.00 0.00 60.65 59.51 2r50 h LYS 102 Cb 0.32 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 2r50 h LYS 102 CO -0.12 1.08 0.01 -0.09 -2.06 0.00 0.00 179.45 178.27 2r50 h ARG 103 N 0.28 0.09 -0.33 3.15 2.43 -1.90 -1.18 114.38 116.93 2r50 h ARG 103 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2r50 h ARG 103 Cb 1.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2r50 h ARG 103 CO 0.11 0.06 0.17 -0.07 -1.51 0.00 0.00 179.97 178.73 2r50 h LEU 104 N 0.10 0.43 -0.20 3.80 3.38 -0.92 -0.26 115.31 121.63 2r50 h LEU 104 Ca 0.12 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2r50 h LEU 104 Cb 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2r50 h LEU 104 CO -0.19 0.41 -0.16 1.23 0.09 0.00 0.00 178.44 179.82 2r50 h GLY 105 N 0.41 -0.03 1.23 0.83 0.00 -0.55 -1.68 103.07 103.29 2r50 h GLY 105 Ca 0.12 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 2r50 h GLY 105 CO -0.02 -0.16 0.12 0.00 0.00 0.00 0.00 176.54 176.49 2r50 h ALA 106 N 0.96 1.08 0.04 3.60 0.00 -0.71 -0.97 119.26 123.25 2r50 h ALA 106 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2r50 h ALA 106 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2r50 h ALA 106 CO -0.30 0.60 -0.02 1.15 0.00 0.00 0.00 179.25 180.68 2r50 h THR 107 N 0.91 1.14 -0.10 0.00 2.02 -0.92 -1.04 112.91 114.92 2r50 h THR 107 Ca 0.19 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 2r50 h THR 107 Cb 0.36 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2r50 h THR 107 CO 0.00 0.15 -0.37 0.45 0.37 0.00 0.00 175.52 176.12 2r50 h HIS 108 N -0.31 0.24 0.19 3.16 3.86 -1.24 -1.23 115.15 119.82 2r50 h HIS 108 Ca -0.01 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2r50 h HIS 108 Cb 0.28 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2r50 h HIS 108 CO 0.01 0.55 -0.09 1.25 0.86 0.00 0.00 177.93 180.52 2r50 h LEU 109 N 0.18 -0.21 -2.05 2.43 5.85 -1.20 -1.33 115.31 118.97 2r50 h LEU 109 Ca 0.02 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.69 2r50 h LEU 109 Cb 0.74 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2r50 h LEU 109 CO 0.06 0.05 0.33 -0.09 -0.34 0.00 0.00 178.44 178.44 2r50 h ARG 110 N -0.48 0.00 -0.48 1.25 2.43 -0.54 -0.72 114.38 115.84 2r50 h ARG 110 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2r50 h ARG 110 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2r50 h ARG 110 CO 0.04 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 2r50 n TYR 111 N -4.14 0.63 -2.08 2.20 4.02 -0.52 -4.97 117.16 112.30 2r50 n TYR 111 Ca 0.07 -0.32 -0.00 0.00 -0.01 0.00 0.00 57.90 57.64 2r50 n TYR 111 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2r50 n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r50 n GLY 112 N 1.47 0.46 3.64 2.72 0.00 -0.28 -4.90 105.19 108.30 2r50 n GLY 112 Ca 0.20 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2r50 n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r50 s VAL 113 N -2.16 4.89 0.51 1.61 1.01 -0.56 -5.04 120.40 120.66 2r50 s VAL 113 Ca 0.00 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.47 2r50 s VAL 113 Cb -0.00 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.37 2r50 s VAL 113 CO 0.00 -0.03 0.60 0.00 0.00 0.00 0.00 175.10 175.67 2r50 s ALA 114 N 2.66 4.51 0.18 5.51 0.00 -1.26 -4.75 121.76 128.61 2r50 s ALA 114 Ca 0.32 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 2r50 s ALA 114 Cb -0.15 -1.28 0.18 0.00 0.00 0.00 0.00 23.12 21.87 2r50 s ALA 114 CO 0.08 -0.54 1.72 -0.44 0.00 0.00 0.00 175.76 176.58 2r50 h ASP 115 N 0.54 0.03 0.00 0.00 3.45 -2.00 0.11 116.42 118.55 2r50 h ASP 115 Ca -0.35 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.19 2r50 h ASP 115 Cb 1.29 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 40.16 2r50 h ASP 115 CO 0.48 0.04 -0.00 1.23 -1.57 0.00 0.00 179.24 179.42 2r50 h GLY 116 N 0.25 0.00 1.44 2.75 0.00 -1.98 -0.71 103.07 104.81 2r50 h GLY 116 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 2r50 h GLY 116 CO -0.31 0.00 -0.43 0.45 0.00 0.00 0.00 176.54 176.25 2r50 h HIS 117 N 0.00 0.74 -0.36 5.60 3.86 -1.37 -1.86 115.15 121.76 2r50 h HIS 117 Ca -0.00 -0.22 -0.13 0.00 -1.16 0.00 0.00 60.37 58.86 2r50 h HIS 117 Cb 0.00 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2r50 h HIS 117 CO 0.00 0.94 -0.30 0.74 0.86 0.00 0.00 177.93 180.17 2r50 h PHE 118 N 0.50 0.91 -0.23 2.45 -1.00 -0.78 -2.58 116.94 116.21 2r50 h PHE 118 Ca 0.04 -0.23 -0.12 0.00 2.81 0.00 0.00 57.97 60.46 2r50 h PHE 118 Cb 0.95 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 2r50 h PHE 118 CO 0.04 0.98 -0.33 0.93 -1.61 0.00 0.00 178.31 178.33 2r50 h GLU 119 N 0.66 0.63 -0.94 1.51 5.08 -1.13 -1.25 114.58 119.15 2r50 h GLU 119 Ca 0.08 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2r50 h GLU 119 Cb 0.83 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2r50 h GLU 119 CO 0.07 0.98 0.62 0.28 -1.00 0.00 0.00 179.01 179.96 2r50 h VAL 120 N 0.33 1.24 -0.13 3.13 2.07 -1.34 -0.74 116.25 120.81 2r50 h VAL 120 Ca 0.02 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 66.96 2r50 h VAL 120 Cb 0.91 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2r50 h VAL 120 CO 0.08 0.23 -0.56 0.74 0.02 0.00 0.00 177.57 178.08 2r50 h THR 121 N 1.27 1.35 -0.31 2.57 2.02 -1.29 0.94 112.91 119.45 2r50 h THR 121 Ca 0.34 -1.85 -0.16 0.00 0.77 0.00 0.00 66.41 65.51 2r50 h THR 121 Cb -0.14 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2r50 h THR 121 CO -0.08 0.56 -0.44 1.23 0.37 0.00 0.00 175.52 177.17 2r50 h GLY 122 N 1.24 0.86 0.95 2.16 0.00 -0.46 0.24 103.07 108.07 2r50 h GLY 122 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 2r50 h GLY 122 CO 0.10 0.82 0.18 -2.75 0.00 0.00 0.00 176.54 174.88 2r50 h PHE 123 N 0.64 0.46 -0.38 5.60 3.57 -0.88 -1.67 116.94 124.29 2r50 h PHE 123 Ca 0.04 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2r50 h PHE 123 Cb 1.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2r50 h PHE 123 CO 0.06 0.38 0.05 0.00 -2.23 0.00 0.00 178.31 176.57 2r50 h ALA 124 N 1.04 1.39 0.20 2.41 0.00 -0.71 -1.53 119.26 122.06 2r50 h ALA 124 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2r50 h ALA 124 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2r50 h ALA 124 CO -0.02 0.43 -0.13 1.25 0.00 0.00 0.00 179.25 180.79 2r50 h LEU 125 N 0.55 -0.32 -0.92 0.00 5.85 0.40 -0.36 115.31 120.51 2r50 h LEU 125 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2r50 h LEU 125 Cb 0.27 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2r50 h LEU 125 CO 0.00 -0.21 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.82 2r50 h LEU 126 N -0.33 0.75 -0.74 2.25 3.38 -1.21 -1.63 115.31 117.79 2r50 h LEU 126 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2r50 h LEU 126 Cb 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2r50 h LEU 126 CO 0.02 0.83 0.43 -0.08 0.09 0.00 0.00 178.44 179.72 2r50 h GLU 127 N 0.73 1.02 -0.21 1.13 4.57 -1.13 -0.51 114.58 120.18 2r50 h GLU 127 Ca 0.14 -0.11 -0.19 0.00 -1.18 0.00 0.00 59.36 58.03 2r50 h GLU 127 Cb 0.46 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2r50 h GLU 127 CO 0.02 0.74 -0.61 1.15 -1.18 0.00 0.00 179.01 179.13 2r50 h THR 128 N 1.02 1.29 -0.69 0.32 2.02 -0.79 -2.50 112.91 113.58 2r50 h THR 128 Ca 0.26 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 2r50 h THR 128 Cb -0.00 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2r50 h THR 128 CO -0.05 0.58 0.22 0.40 0.37 0.00 0.00 175.52 177.04 2r50 h ILE 129 N 0.53 1.26 -0.33 3.11 2.04 -1.09 -1.88 117.51 121.14 2r50 h ILE 129 Ca -0.02 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 64.87 2r50 h ILE 129 Cb 1.23 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2r50 h ILE 129 CO 0.13 0.34 -0.18 0.50 0.00 0.00 0.00 178.15 178.94 2r50 h LYS 130 N 1.01 0.61 0.00 2.37 3.64 -1.00 -2.34 116.57 120.87 2r50 h LYS 130 Ca 0.22 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2r50 h LYS 130 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2r50 h LYS 130 CO -0.01 0.77 -0.37 0.93 -2.27 0.00 0.00 179.45 178.50 2r50 h GLU 131 N 0.55 0.00 0.00 1.90 5.08 -1.28 -3.33 114.58 117.51 2r50 h GLU 131 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2r50 h GLU 131 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2r50 h GLU 131 CO 0.04 0.37 -1.62 0.00 -1.00 0.00 0.00 179.01 176.80 2r50 n ALA 132 N -2.33 2.64 -2.33 3.43 0.00 -0.72 -4.96 120.51 116.23 2r50 n ALA 132 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 2r50 n ALA 132 Cb 0.47 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2r50 n ALA 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r50 s LEU 133 N -4.91 3.92 0.40 0.00 1.02 -0.90 -4.98 118.68 113.23 2r50 s LEU 133 Ca -0.05 0.94 -0.26 0.00 0.02 0.00 0.00 54.13 54.78 2r50 s LEU 133 Cb 0.12 -3.80 -0.11 0.00 0.02 0.00 0.00 46.19 42.43 2r50 s LEU 133 CO 0.86 -0.32 1.32 -2.65 0.02 0.00 0.00 176.35 175.58 2r50 n PRO 134 N -1.18 2.10 0.17 1.29 -0.02 -1.26 -4.82 135.00 131.29 2r50 n PRO 134 Ca 0.01 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 2r50 n PRO 134 Cb 0.54 -2.42 0.71 0.00 -0.02 0.00 0.00 33.50 32.30 2r50 n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r50 h ALA 135 N 2.34 2.10 -0.26 3.55 0.00 -1.95 -0.06 119.26 124.98 2r50 h ALA 135 Ca -0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2r50 h ALA 135 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2r50 h ALA 135 CO 0.61 -0.26 -0.05 -0.44 0.00 0.00 0.00 179.25 179.11 2r50 h ASP 136 N 0.00 0.38 1.19 0.00 3.45 -2.01 -3.03 116.42 116.40 2r50 h ASP 136 Ca 0.10 -0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.34 2r50 h ASP 136 Cb 0.41 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 2r50 h ASP 136 CO -0.00 0.48 -0.84 0.24 -1.57 0.00 0.00 179.24 177.55 2r50 h MET 137 N 0.38 0.00 -6.92 3.56 2.86 -1.35 -3.46 114.93 109.99 2r50 h MET 137 Ca 0.08 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.21 2r50 h MET 137 Cb 0.34 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.06 2r50 h MET 137 CO 0.01 0.57 0.53 -0.46 1.06 0.00 0.00 176.91 178.62 2r50 s TRP 138 N -2.88 3.09 0.23 -0.22 -0.11 -1.08 -4.85 118.94 113.12 2r50 s TRP 138 Ca 0.02 1.54 -0.23 0.00 1.22 0.00 0.00 56.10 58.65 2r50 s TRP 138 Cb 0.08 -3.44 0.04 0.00 -1.50 0.00 0.00 33.47 28.65 2r50 s TRP 138 CO 0.78 -1.37 0.80 -1.54 -4.62 0.00 0.00 176.95 170.99 2r50 s SER 139 N -1.00 -0.25 0.32 5.86 1.04 -1.26 -4.96 113.70 113.45 2r50 s SER 139 Ca 0.55 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.52 2r50 s SER 139 Cb -0.32 0.64 0.55 0.00 0.10 0.00 0.00 66.02 66.98 2r50 s SER 139 CO 0.41 -1.17 1.82 0.25 0.98 0.00 0.00 173.24 175.53 2r50 h LEU 140 N 2.00 0.44 -0.53 2.42 7.12 -1.99 -0.89 115.31 123.89 2r50 h LEU 140 Ca -0.21 -0.11 -0.16 0.00 0.13 0.00 0.00 57.88 57.52 2r50 h LEU 140 Cb 1.25 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 2r50 h LEU 140 CO 0.25 0.60 -0.57 -0.33 -0.13 0.00 0.00 178.44 178.26 2r50 h GLU 141 N 0.42 0.50 -0.30 1.25 4.39 -1.97 -1.47 114.58 117.40 2r50 h GLU 141 Ca 0.08 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.34 2r50 h GLU 141 Cb 0.48 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2r50 h GLU 141 CO 0.03 0.93 -0.24 1.98 -1.16 0.00 0.00 179.01 180.55 2r50 h MET 142 N 0.38 0.69 -0.48 2.33 1.85 -1.83 -1.46 114.93 116.41 2r50 h MET 142 Ca 0.00 -0.34 0.06 0.00 -0.61 0.00 0.00 59.70 58.81 2r50 h MET 142 Cb 1.11 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.09 2r50 h MET 142 CO 0.10 0.95 0.18 -0.22 -0.40 0.00 0.00 176.91 177.53 2r50 h LYS 143 N 0.44 0.35 -0.60 0.39 3.64 -1.00 -2.73 116.57 117.06 2r50 h LYS 143 Ca 0.05 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2r50 h LYS 143 Cb 0.80 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2r50 h LYS 143 CO 0.06 0.23 0.11 0.87 -2.27 0.00 0.00 179.45 178.46 2r50 h LYS 144 N 0.36 0.98 -0.29 1.90 1.57 -1.10 -1.88 116.57 118.12 2r50 h LYS 144 Ca 0.23 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2r50 h LYS 144 Cb 0.22 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2r50 h LYS 144 CO -0.22 0.91 0.13 0.00 -0.57 0.00 0.00 179.45 179.70 2r50 h ALA 145 N 1.02 0.34 -0.33 3.86 0.00 -0.96 -0.47 119.26 122.72 2r50 h ALA 145 Ca 0.18 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2r50 h ALA 145 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2r50 h ALA 145 CO 0.01 -0.27 -0.29 -1.49 0.00 0.00 0.00 179.25 177.21 2r50 h TRP 146 N 0.27 0.79 -0.42 0.00 4.06 -1.49 -2.22 115.95 116.94 2r50 h TRP 146 Ca 0.12 -0.20 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 2r50 h TRP 146 Cb 0.06 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 2r50 h TRP 146 CO -0.11 0.90 0.02 0.00 -3.56 0.00 0.00 178.44 175.69 2r50 h ALA 147 N 1.09 1.25 0.06 1.49 0.00 -0.65 -1.31 119.26 121.18 2r50 h ALA 147 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2r50 h ALA 147 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2r50 h ALA 147 CO 0.07 0.50 -0.03 1.49 0.00 0.00 0.00 179.25 181.28 2r50 h GLU 148 N 0.63 -0.07 -0.82 0.00 4.22 -1.01 0.78 114.58 118.31 2r50 h GLU 148 Ca 0.13 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.66 2r50 h GLU 148 Cb 0.37 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2r50 h GLU 148 CO 0.01 0.53 0.48 0.00 -2.18 0.00 0.00 179.01 177.85 2r50 h ALA 149 N -0.06 1.15 -0.29 2.92 0.00 -1.39 -0.13 119.26 121.45 2r50 h ALA 149 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2r50 h ALA 149 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2r50 h ALA 149 CO 0.01 0.14 -0.01 -0.92 0.00 0.00 0.00 179.25 178.47 2r50 h TYR 150 N 0.82 0.57 -0.56 0.00 5.03 -1.28 -1.66 116.97 119.90 2r50 h TYR 150 Ca 0.38 -0.10 0.05 0.00 2.58 0.00 0.00 58.73 61.64 2r50 h TYR 150 Cb 0.30 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.38 2r50 h TYR 150 CO -0.06 0.67 0.28 1.03 -1.32 0.00 0.00 178.16 178.77 2r50 h SER 151 N 0.31 0.40 -0.32 -2.11 0.87 -0.35 -1.65 113.55 110.69 2r50 h SER 151 Ca 0.08 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 2r50 h SER 151 Cb 0.45 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2r50 h SER 151 CO 0.02 0.27 -0.40 1.56 -0.53 0.00 0.00 176.83 177.74 2r50 h GLN 152 N 0.54 0.88 -0.12 2.24 1.08 -1.06 -0.19 115.11 118.48 2r50 h GLN 152 Ca 0.25 -0.47 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2r50 h GLN 152 Cb 0.17 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2r50 h GLN 152 CO -0.18 1.11 -0.03 1.25 -0.95 0.00 0.00 178.83 180.04 2r50 h LEU 153 N 0.71 -0.11 -0.14 1.46 5.85 -1.11 -2.07 115.31 119.90 2r50 h LEU 153 Ca 0.05 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2r50 h LEU 153 Cb 0.98 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2r50 h LEU 153 CO 0.10 -0.04 0.06 0.58 -0.34 0.00 0.00 178.44 178.80 2r50 h VAL 154 N 0.00 0.99 -0.63 1.05 2.07 -1.15 -1.42 116.25 117.16 2r50 h VAL 154 Ca 0.06 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2r50 h VAL 154 Cb 0.09 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 2r50 h VAL 154 CO -0.12 0.03 0.16 0.00 0.02 0.00 0.00 177.57 177.66 2r50 h ALA 155 N 1.08 0.77 -0.70 1.67 0.00 -0.97 -0.12 119.26 120.99 2r50 h ALA 155 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2r50 h ALA 155 Cb 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2r50 h ALA 155 CO -0.05 -0.29 0.45 0.00 0.00 0.00 0.00 179.25 179.37 2r50 h ALA 156 N 1.49 0.90 -0.01 0.00 0.00 -0.88 -2.64 119.26 118.12 2r50 h ALA 156 Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2r50 h ALA 156 Cb 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2r50 h ALA 156 CO -0.40 0.27 0.00 0.82 0.00 0.00 0.00 179.25 179.93 2r50 h ILE 157 N 0.91 1.19 -0.18 0.00 2.04 -0.14 -2.64 117.51 118.69 2r50 h ILE 157 Ca 0.27 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.62 2r50 h ILE 157 Cb -0.05 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2r50 h ILE 157 CO -0.08 0.15 0.15 0.11 0.00 0.00 0.00 178.15 178.47 2r50 h LYS 158 N -0.22 0.00 0.00 2.37 1.57 -0.98 -1.23 116.57 118.07 2r50 h LYS 158 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r50 h LYS 158 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2r50 h LYS 158 CO 0.00 0.00 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.77 2r50 h ARG 159 N 0.00 0.00 -0.60 3.15 2.43 -1.10 -1.26 114.38 117.00 2r50 h ARG 159 Ca 0.08 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2r50 h ARG 159 Cb 0.38 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2r50 h ARG 159 CO -0.00 0.02 0.13 0.39 -1.51 0.00 0.00 179.97 179.00 2r50 n GLU 160 N -4.33 3.94 0.00 0.20 -0.58 -0.47 -3.90 120.64 115.50 2r50 n GLU 160 Ca -0.03 -3.09 0.03 0.00 -0.42 0.00 0.00 57.16 53.64 2r50 n GLU 160 Cb 0.11 -2.17 0.02 0.00 -0.57 0.00 0.00 31.44 28.83 2r50 n GLU 160 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2r50 n MET 161 N 0.01 -0.20 -4.31 3.49 2.81 -0.49 -3.89 117.12 114.55 2r50 n MET 161 Ca 0.34 -0.79 -0.16 0.00 -1.81 0.00 0.00 57.70 55.27 2r50 n MET 161 Cb 1.24 -1.09 -0.10 0.00 -0.71 0.00 0.00 33.22 32.56 2r50 n MET 161 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2r50 s LYS 162 N -0.44 1.36 0.33 0.03 1.02 -1.17 -5.03 119.74 115.84 2r50 s LYS 162 Ca 0.06 -1.72 -0.28 0.00 0.02 0.00 0.00 55.97 54.04 2r50 s LYS 162 Cb 0.04 -0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 36.95 2r50 s LYS 162 CO 0.07 -0.25 1.27 -2.14 -0.92 0.00 0.00 175.35 173.38 2r50 s PRO 163 N -4.00 4.36 -0.14 -1.68 0.02 -1.26 -4.93 135.00 127.38 2r50 s PRO 163 Ca 0.35 2.14 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 2r50 s PRO 163 Cb 0.07 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.45 2r50 s PRO 163 CO 0.12 -0.15 2.03 -0.25 -0.33 0.00 0.00 177.00 178.41 2r50 n ASP 164 N 0.78 3.35 0.00 2.53 10.43 -1.26 -5.07 116.55 127.30 2r50 n ASP 164 Ca 0.00 0.70 0.01 0.00 2.57 0.00 0.00 54.79 58.07 2r50 n ASP 164 Cb 0.43 -1.43 0.03 0.00 1.84 0.00 0.00 41.12 41.99 2r50 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13