#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r50 s VAL 12 N 0.00 4.91 -0.27 2.52 1.01 -1.26 -4.86 120.40 122.45 2r50 s VAL 12 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 2r50 s VAL 12 Cb 0.00 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 32.39 2r50 s VAL 12 CO 0.00 0.05 0.22 0.12 0.00 0.00 0.00 175.10 175.49 2r50 s PHE 13 N 2.01 -0.12 1.12 5.22 5.36 -1.26 -5.12 117.98 125.20 2r50 s PHE 13 Ca 0.37 -0.40 -0.18 0.00 -0.96 0.00 0.00 56.93 55.77 2r50 s PHE 13 Cb -0.17 -0.62 0.25 0.00 -0.34 0.00 0.00 43.02 42.14 2r50 s PHE 13 CO 0.13 -0.83 1.16 0.20 -1.46 0.00 0.00 175.22 174.41 2r50 s GLY 14 N 2.25 1.62 0.32 13.12 0.00 -1.26 -4.31 107.32 119.06 2r50 s GLY 14 Ca 0.09 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 43.94 2r50 s GLY 14 CO -0.31 -0.12 1.77 0.83 0.00 0.00 0.00 173.10 175.27 2r50 h GLU 15 N -2.28 0.22 -0.24 2.90 4.39 -1.99 -2.65 114.58 114.93 2r50 h GLU 15 Ca -0.46 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.04 2r50 h GLU 15 Cb 1.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2r50 h GLU 15 CO 0.38 0.53 -0.33 0.93 -1.16 0.00 0.00 179.01 179.36 2r50 h GLU 16 N 0.19 0.52 -0.09 2.33 4.39 -1.99 -1.02 114.58 118.91 2r50 h GLU 16 Ca 0.02 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 2r50 h GLU 16 Cb 0.68 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2r50 h GLU 16 CO 0.05 0.79 -0.36 1.96 -1.16 0.00 0.00 179.01 180.29 2r50 h GLN 17 N 0.44 0.41 -0.73 2.33 4.20 -1.89 -1.62 115.11 118.26 2r50 h GLN 17 Ca 0.05 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.45 2r50 h GLN 17 Cb 0.79 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 2r50 h GLN 17 CO 0.06 0.94 0.48 1.49 -0.67 0.00 0.00 178.83 181.14 2r50 h GLU 18 N -0.04 0.96 -0.28 1.46 4.81 -1.42 -2.29 114.58 117.78 2r50 h GLU 18 Ca -0.02 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2r50 h GLU 18 Cb 0.99 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2r50 h GLU 18 CO 0.08 0.63 -0.26 0.00 -0.73 0.00 0.00 179.01 178.73 2r50 h ALA 19 N 1.55 0.41 -0.42 2.92 0.00 -0.90 -0.52 119.26 122.30 2r50 h ALA 19 Ca 0.27 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2r50 h ALA 19 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2r50 h ALA 19 CO -0.06 0.40 0.19 -0.07 0.00 0.00 0.00 179.25 179.71 2r50 h LEU 20 N 0.41 0.26 -0.12 0.00 3.38 -0.78 -0.94 115.31 117.51 2r50 h LEU 20 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2r50 h LEU 20 Cb 0.82 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2r50 h LEU 20 CO 0.07 0.19 0.05 0.58 0.09 0.00 0.00 178.44 179.42 2r50 h VAL 21 N 0.39 1.14 0.20 1.22 2.07 -1.19 -2.62 116.25 117.45 2r50 h VAL 21 Ca 0.18 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2r50 h VAL 21 Cb 0.12 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2r50 h VAL 21 CO -0.15 0.13 -0.09 -0.07 0.02 0.00 0.00 177.57 177.40 2r50 h LEU 22 N 0.05 -0.22 -0.31 2.57 3.38 -0.80 -1.59 115.31 118.40 2r50 h LEU 22 Ca 0.04 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2r50 h LEU 22 Cb 0.15 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2r50 h LEU 22 CO -0.00 -0.01 0.07 0.07 0.09 0.00 0.00 178.44 178.65 2r50 h LYS 23 N -0.43 0.17 -0.69 1.13 2.10 -1.27 0.84 116.57 118.42 2r50 h LYS 23 Ca -0.03 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2r50 h LYS 23 Cb 0.33 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.59 2r50 h LYS 23 CO 0.04 0.12 0.41 0.66 -2.00 0.00 0.00 179.45 178.68 2r50 h SER 24 N 0.18 0.82 -0.39 7.07 4.64 -1.46 -1.56 113.55 122.85 2r50 h SER 24 Ca 0.14 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2r50 h SER 24 Cb 0.15 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2r50 h SER 24 CO -0.18 0.63 -0.36 -0.25 -0.87 0.00 0.00 176.83 175.80 2r50 h TRP 25 N 0.95 1.12 -0.54 4.77 -0.00 -0.56 -2.09 115.95 119.60 2r50 h TRP 25 Ca 0.25 -0.33 0.12 0.00 -0.00 0.00 0.00 58.89 58.93 2r50 h TRP 25 Cb -0.03 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 2r50 h TRP 25 CO 0.00 1.16 0.37 0.00 -0.00 0.00 0.00 178.44 179.97 2r50 h ALA 26 N 0.78 2.23 0.11 2.65 0.00 0.10 -0.94 119.26 124.19 2r50 h ALA 26 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2r50 h ALA 26 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2r50 h ALA 26 CO 0.09 -0.37 -0.05 0.28 0.00 0.00 0.00 179.25 179.20 2r50 h VAL 27 N 0.21 0.81 -0.24 0.00 2.07 -0.96 -3.39 116.25 114.74 2r50 h VAL 27 Ca 0.26 -1.32 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 2r50 h VAL 27 Cb 0.73 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2r50 h VAL 27 CO -0.05 0.24 -0.35 0.24 0.02 0.00 0.00 177.57 177.68 2r50 h MET 28 N -0.93 0.53 -0.29 1.57 2.86 -1.04 -3.07 114.93 114.56 2r50 h MET 28 Ca -0.01 -0.24 0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2r50 h MET 28 Cb 0.50 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2r50 h MET 28 CO 0.02 0.80 0.28 -0.22 1.06 0.00 0.00 176.91 178.86 2r50 h LYS 29 N 0.45 0.00 0.00 1.72 3.64 -1.37 -0.71 116.57 120.30 2r50 h LYS 29 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2r50 h LYS 29 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2r50 h LYS 29 CO 0.07 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.88 2r50 n LYS 30 N -3.91 0.09 -2.68 1.90 5.02 -1.16 -2.95 118.16 114.46 2r50 n LYS 30 Ca 0.04 0.44 -0.06 0.00 -2.02 0.00 0.00 58.31 56.71 2r50 n LYS 30 Cb 0.43 -1.71 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 2r50 n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2r50 n ASP 31 N -1.88 2.12 0.13 4.39 2.03 -0.28 -4.96 116.55 118.10 2r50 n ASP 31 Ca 0.01 -2.45 0.02 0.00 0.52 0.00 0.00 54.79 52.89 2r50 n ASP 31 Cb 0.12 -0.47 0.38 0.00 -0.72 0.00 0.00 41.12 40.43 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 2.63 1.48 0.07 -1.67 0.00 -1.50 -1.67 119.26 118.59 2r50 h ALA 32 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2r50 h ALA 32 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2r50 h ALA 32 CO 0.35 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.94 2r50 h ALA 33 N 1.63 -0.09 -0.57 0.00 0.00 -1.91 -0.42 119.26 117.90 2r50 h ALA 33 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2r50 h ALA 33 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2r50 h ALA 33 CO 0.03 -0.42 0.21 -0.91 0.00 0.00 0.00 179.25 178.16 2r50 h ASN 34 N -0.36 0.77 -0.19 0.00 2.35 -1.91 -2.44 115.58 113.80 2r50 h ASN 34 Ca -0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2r50 h ASN 34 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2r50 h ASN 34 CO 0.02 0.71 0.09 0.25 -1.65 0.00 0.00 177.43 176.84 2r50 h LEU 35 N 0.82 0.25 -0.71 1.61 6.46 -1.19 -2.13 115.31 120.42 2r50 h LEU 35 Ca 0.19 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2r50 h LEU 35 Cb 0.19 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2r50 h LEU 35 CO -0.01 0.30 0.36 1.23 -0.62 0.00 0.00 178.44 179.70 2r50 h GLY 36 N 0.18 1.08 0.96 3.75 0.00 -0.89 -1.21 103.07 106.93 2r50 h GLY 36 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2r50 h GLY 36 CO -0.01 0.49 0.12 -2.00 0.00 0.00 0.00 176.54 175.15 2r50 h LEU 37 N 0.99 0.26 -1.62 3.11 5.85 -1.36 -1.90 115.31 120.63 2r50 h LEU 37 Ca 0.25 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2r50 h LEU 37 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2r50 h LEU 37 CO -0.03 0.25 0.29 0.03 -0.34 0.00 0.00 178.44 178.63 2r50 h ARG 38 N 0.25 0.49 0.53 1.25 3.08 -1.06 -0.71 114.38 118.20 2r50 h ARG 38 Ca 0.08 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2r50 h ARG 38 Cb 0.05 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.99 2r50 h ARG 38 CO -0.01 0.32 -0.25 0.35 -1.07 0.00 0.00 179.97 179.31 2r50 h PHE 39 N 0.50 -0.66 -0.43 3.04 3.57 -0.78 -1.36 116.94 120.82 2r50 h PHE 39 Ca 0.17 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2r50 h PHE 39 Cb 0.06 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2r50 h PHE 39 CO -0.00 -0.33 0.15 0.74 -2.23 0.00 0.00 178.31 176.64 2r50 h PHE 40 N -0.96 0.62 -0.45 0.41 -1.00 -1.09 -1.38 116.94 113.09 2r50 h PHE 40 Ca -0.07 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.58 2r50 h PHE 40 Cb 0.62 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 2r50 h PHE 40 CO 0.00 0.50 -0.12 -0.07 -1.61 0.00 0.00 178.31 177.02 2r50 h LEU 41 N 0.61 0.82 -0.40 1.54 3.38 -1.00 -1.98 115.31 118.29 2r50 h LEU 41 Ca 0.15 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2r50 h LEU 41 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2r50 h LEU 41 CO -0.01 0.96 -0.06 0.50 0.09 0.00 0.00 178.44 179.92 2r50 h LYS 42 N 0.75 0.75 -0.53 1.13 1.63 -0.83 -1.42 116.57 118.04 2r50 h LYS 42 Ca 0.12 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2r50 h LYS 42 Cb 0.62 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 2r50 h LYS 42 CO 0.04 0.86 0.35 0.28 -3.45 0.00 0.00 179.45 177.54 2r50 h VAL 43 N 0.57 1.14 0.00 2.00 2.07 -1.08 -2.61 116.25 118.33 2r50 h VAL 43 Ca 0.11 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2r50 h VAL 43 Cb 0.56 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2r50 h VAL 43 CO 0.03 0.13 -0.31 -0.26 0.02 0.00 0.00 177.57 177.19 2r50 h PHE 44 N 0.72 0.00 -0.18 1.57 0.04 -1.31 -0.83 116.94 116.95 2r50 h PHE 44 Ca 0.20 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.82 2r50 h PHE 44 Cb -0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2r50 h PHE 44 CO -0.04 0.31 -0.48 1.49 -0.60 0.00 0.00 178.31 178.98 2r50 h GLU 45 N 0.00 0.48 0.16 1.51 4.81 -1.16 0.25 114.58 120.64 2r50 h GLU 45 Ca -0.00 -0.27 -0.30 0.00 -0.13 0.00 0.00 59.36 58.65 2r50 h GLU 45 Cb 1.07 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.48 2r50 h GLU 45 CO 0.04 0.86 -1.37 0.82 -0.73 0.00 0.00 179.01 178.63 2r50 h ILE 46 N 0.38 1.36 -2.26 2.32 2.04 -1.18 -3.41 117.51 116.77 2r50 h ILE 46 Ca 0.02 -2.91 -0.50 0.00 1.00 0.00 0.00 64.86 62.47 2r50 h ILE 46 Cb 0.99 2.93 -0.35 0.00 -0.74 0.00 0.00 36.82 39.65 2r50 h ILE 46 CO 0.09 0.86 -0.83 0.00 0.00 0.00 0.00 178.15 178.27 2r50 s ALA 47 N -2.63 0.54 0.36 1.87 0.00 -0.34 -5.00 121.76 116.54 2r50 s ALA 47 Ca -0.07 -1.73 0.13 0.00 0.00 0.00 0.00 51.96 50.29 2r50 s ALA 47 Cb 0.06 -1.78 0.94 0.00 0.00 0.00 0.00 23.12 22.34 2r50 s ALA 47 CO 0.89 -2.09 1.78 -1.35 0.00 0.00 0.00 175.76 175.00 2r50 h PRO 48 N 6.48 0.54 0.00 0.00 0.11 -1.16 -2.31 132.00 135.66 2r50 h PRO 48 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2r50 h PRO 48 Cb 0.98 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2r50 h PRO 48 CO 0.26 0.36 0.06 -1.13 -0.21 0.00 0.00 178.00 177.34 2r50 n SER 49 N -4.69 0.30 0.12 -2.05 3.41 -1.26 -1.19 113.62 108.24 2r50 n SER 49 Ca 0.24 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 2r50 n SER 49 Cb 0.72 -0.63 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 2r50 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r50 h ALA 50 N 1.80 0.67 -0.90 7.33 0.00 -1.78 -3.24 119.26 123.14 2r50 h ALA 50 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2r50 h ALA 50 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2r50 h ALA 50 CO 0.00 0.00 0.59 -0.22 0.00 0.00 0.00 179.25 179.62 2r50 h LYS 51 N 0.00 1.07 0.00 0.00 3.64 -1.33 -2.35 116.57 117.60 2r50 h LYS 51 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2r50 h LYS 51 Cb 0.90 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2r50 h LYS 51 CO 0.00 0.71 0.00 1.96 -2.27 0.00 0.00 179.45 179.85 2r50 h GLN 52 N 1.10 0.00 0.00 1.90 7.50 -1.71 -1.88 115.11 122.01 2r50 h GLN 52 Ca 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.51 2r50 h GLN 52 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.60 2r50 h GLN 52 CO -0.12 0.00 -0.05 0.52 -1.50 0.00 0.00 178.83 177.68 2r50 h MET 53 N 0.00 0.00 0.00 1.46 2.86 -1.62 -3.27 114.93 114.36 2r50 h MET 53 Ca 0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 2r50 h MET 53 Cb 0.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 2r50 h MET 53 CO 0.00 0.05 -1.48 1.19 1.06 0.00 0.00 176.91 177.72 2r50 n PHE 54 N -3.14 0.75 -3.61 -0.22 3.01 -0.71 -5.06 117.46 108.48 2r50 n PHE 54 Ca 0.01 0.33 -0.21 0.00 1.01 0.00 0.00 57.45 58.59 2r50 n PHE 54 Cb 0.40 -1.03 0.05 0.00 -0.01 0.00 0.00 39.48 38.88 2r50 n PHE 54 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2r50 n SER 55 N -4.41 -2.59 0.00 4.37 3.41 -1.20 -5.19 113.62 108.02 2r50 n SER 55 Ca -0.35 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2r50 n SER 55 Cb 0.69 -4.23 0.00 0.00 -0.26 0.00 0.00 64.21 60.41 2r50 n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2r50 n GLU 65 N -4.10 0.00 -1.68 4.33 4.71 -1.26 -5.16 120.64 117.48 2r50 n GLU 65 Ca -0.24 0.00 -0.66 0.00 -0.01 0.00 0.00 57.16 56.25 2r50 n GLU 65 Cb 0.66 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.99 2r50 n GLU 65 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2r50 n LYS 66 N 0.00 0.00 -0.73 3.49 4.76 -1.26 -4.55 118.16 119.87 2r50 n LYS 66 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2r50 n LYS 66 Cb 0.00 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2r50 n LYS 66 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2r50 n ASN 67 N 4.08 -1.13 0.00 4.39 4.05 -1.26 -4.82 115.26 120.57 2r50 n ASN 67 Ca 0.31 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.41 2r50 n ASN 67 Cb -0.06 -0.57 0.38 0.00 1.23 0.00 0.00 39.78 40.77 2r50 n ASN 67 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2r50 n PRO 68 N 0.80 0.34 0.09 1.20 -0.02 -1.26 -2.24 135.00 133.92 2r50 n PRO 68 Ca 0.00 0.06 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 2r50 n PRO 68 Cb 0.00 -1.50 0.51 0.00 -0.02 0.00 0.00 33.50 32.49 2r50 n PRO 68 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2r50 h LYS 69 N 0.00 0.33 -0.05 -0.52 3.64 -1.97 -2.57 116.57 115.44 2r50 h LYS 69 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2r50 h LYS 69 Cb 0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2r50 h LYS 69 CO 0.00 0.22 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.94 2r50 h LEU 70 N 0.35 0.10 -0.12 5.20 3.38 -1.76 -2.13 115.31 120.32 2r50 h LEU 70 Ca 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2r50 h LEU 70 Cb -0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2r50 h LEU 70 CO -0.02 0.49 0.02 0.11 0.09 0.00 0.00 178.44 179.13 2r50 h LYS 71 N 0.09 0.20 -0.47 1.13 1.57 -1.63 -0.72 116.57 116.73 2r50 h LYS 71 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2r50 h LYS 71 Cb 0.73 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 2r50 h LYS 71 CO 0.05 0.39 0.26 1.15 -0.57 0.00 0.00 179.45 180.73 2r50 h THR 72 N -0.01 1.00 0.45 -0.16 2.02 -1.43 -0.63 112.91 114.14 2r50 h THR 72 Ca 0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2r50 h THR 72 Cb 0.28 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2r50 h THR 72 CO 0.00 0.09 -0.21 -0.74 0.37 0.00 0.00 175.52 175.03 2r50 h HIS 73 N 0.51 -0.56 -0.60 3.16 -0.00 -1.32 -2.22 115.15 114.12 2r50 h HIS 73 Ca 0.20 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.62 2r50 h HIS 73 Cb 0.07 0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.61 2r50 h HIS 73 CO -0.09 -0.30 0.29 0.00 -0.00 0.00 0.00 177.93 177.84 2r50 h ALA 74 N -0.18 0.79 -0.92 5.26 0.00 -1.02 -1.55 119.26 121.63 2r50 h ALA 74 Ca -0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2r50 h ALA 74 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2r50 h ALA 74 CO 0.10 -0.07 0.61 0.52 0.00 0.00 0.00 179.25 180.41 2r50 h MET 75 N 0.54 1.14 -0.85 0.00 2.86 -1.13 -2.17 114.93 115.32 2r50 h MET 75 Ca 0.28 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2r50 h MET 75 Cb 0.23 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 2r50 h MET 75 CO -0.21 0.76 0.55 0.77 1.06 0.00 0.00 176.91 179.84 2r50 h SER 76 N 1.18 0.93 0.64 1.22 0.02 -0.65 0.26 113.55 117.16 2r50 h SER 76 Ca 0.36 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2r50 h SER 76 Cb -0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2r50 h SER 76 CO -0.10 0.65 -0.32 0.58 -1.14 0.00 0.00 176.83 176.50 2r50 h VAL 77 N 1.09 0.35 -0.14 2.27 2.07 -0.89 -0.24 116.25 120.76 2r50 h VAL 77 Ca 0.33 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 2r50 h VAL 77 Cb -0.03 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2r50 h VAL 77 CO -0.10 0.00 0.01 -0.26 0.02 0.00 0.00 177.57 177.24 2r50 h PHE 78 N -0.88 0.02 -0.15 1.57 0.04 -1.20 -1.11 116.94 115.23 2r50 h PHE 78 Ca -0.09 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2r50 h PHE 78 Cb 0.68 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2r50 h PHE 78 CO -0.04 -0.00 0.07 0.28 -0.60 0.00 0.00 178.31 178.02 2r50 h VAL 79 N 0.07 1.12 -0.06 -0.55 2.07 -0.36 -1.41 116.25 117.11 2r50 h VAL 79 Ca 0.07 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 2r50 h VAL 79 Cb 0.07 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2r50 h VAL 79 CO -0.10 0.11 -0.67 0.24 0.02 0.00 0.00 177.57 177.16 2r50 h MET 80 N 0.11 0.27 -0.59 1.57 2.86 -1.05 -0.35 114.93 117.76 2r50 h MET 80 Ca 0.05 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 2r50 h MET 80 Cb 0.11 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2r50 h MET 80 CO -0.01 0.85 0.03 1.15 1.06 0.00 0.00 176.91 179.99 2r50 h THR 81 N 0.19 1.26 -0.07 2.22 2.02 -1.13 0.22 112.91 117.62 2r50 h THR 81 Ca -0.02 -1.09 -0.13 0.00 0.77 0.00 0.00 66.41 65.94 2r50 h THR 81 Cb 1.21 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2r50 h THR 81 CO 0.11 0.40 -0.55 0.00 0.37 0.00 0.00 175.52 175.84 2r50 h GLU 83 N 0.17 0.46 -0.39 0.00 5.08 -0.63 -3.11 114.58 116.15 2r50 h GLU 83 Ca 0.00 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2r50 h GLU 83 Cb 1.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2r50 h GLU 83 CO 0.08 0.84 -0.23 0.00 -1.00 0.00 0.00 179.01 178.70 2r50 h ALA 84 N 1.12 0.86 -1.00 3.43 0.00 -0.32 -1.81 119.26 121.54 2r50 h ALA 84 Ca 0.02 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.69 2r50 h ALA 84 Cb 0.97 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 2r50 h ALA 84 CO 0.09 0.63 0.62 0.00 0.00 0.00 0.00 179.25 180.59 2r50 h ALA 85 N 1.06 1.54 -0.04 0.00 0.00 -1.32 0.55 119.26 121.05 2r50 h ALA 85 Ca 0.09 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2r50 h ALA 85 Cb 0.75 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2r50 h ALA 85 CO 0.06 0.14 -0.62 0.00 0.00 0.00 0.00 179.25 178.84 2r50 h ALA 86 N 1.57 0.14 -0.72 0.00 0.00 -1.48 -2.87 119.26 115.89 2r50 h ALA 86 Ca 0.52 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2r50 h ALA 86 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2r50 h ALA 86 CO -0.30 0.41 0.39 1.96 0.00 0.00 0.00 179.25 181.71 2r50 h GLN 87 N 0.06 1.00 -0.03 0.00 4.20 -1.08 -1.57 115.11 117.68 2r50 h GLN 87 Ca -0.06 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 2r50 h GLN 87 Cb 1.29 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 2r50 h GLN 87 CO 0.12 0.74 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.57 2r50 h LEU 88 N 1.01 0.06 0.22 1.46 3.38 -0.89 0.18 115.31 120.73 2r50 h LEU 88 Ca 0.26 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.88 2r50 h LEU 88 Cb 0.03 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.79 2r50 h LEU 88 CO -0.04 0.45 -1.46 0.08 0.09 0.00 0.00 178.44 177.55 2r50 h ARG 89 N 0.05 0.46 0.06 1.13 -0.00 -1.15 -2.69 114.38 112.25 2r50 h ARG 89 Ca 0.00 -0.79 -0.32 0.00 -0.00 0.00 0.00 59.98 58.87 2r50 h ARG 89 Cb 0.71 0.29 -0.03 0.00 -0.00 0.00 0.00 29.97 30.94 2r50 h ARG 89 CO 0.05 1.38 -1.82 1.57 -0.00 0.00 0.00 179.97 181.15 2r50 h LYS 90 N 0.04 0.13 0.00 0.08 2.10 -1.28 -3.40 116.57 114.24 2r50 h LYS 90 Ca -0.27 -0.22 -0.31 0.00 -2.00 0.00 0.00 60.65 57.85 2r50 h LYS 90 Cb 2.06 0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 33.42 2r50 h LYS 90 CO 0.22 0.84 -2.03 0.00 -2.00 0.00 0.00 179.45 176.48 2r50 n ALA 91 N -2.75 1.57 -0.66 0.07 0.00 0.63 -4.99 120.51 114.38 2r50 n ALA 91 Ca -0.23 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2r50 n ALA 91 Cb 1.05 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 1.63 0.70 3.60 0.00 0.00 -1.01 -5.00 105.19 105.11 2r50 n GLY 92 Ca -0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.34 0.63 -0.07 1.61 -2.85 -1.24 -4.41 119.74 113.07 2r50 s LYS 93 Ca 0.00 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.39 2r50 s LYS 93 Cb 0.00 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2r50 s LYS 93 CO 0.00 -0.28 1.42 0.08 0.10 0.00 0.00 175.35 176.67 2r50 s VAL 94 N -2.78 3.88 -0.37 1.79 1.01 -1.26 -3.75 120.40 118.92 2r50 s VAL 94 Ca 0.10 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.28 2r50 s VAL 94 Cb 0.00 -3.74 0.46 0.00 0.00 0.00 0.00 36.38 33.09 2r50 s VAL 94 CO -0.05 -0.06 1.35 0.35 0.00 0.00 0.00 175.10 176.69 2r50 n THR 95 N 5.12 2.74 -1.78 3.92 -2.24 -1.26 -5.02 114.28 115.76 2r50 n THR 95 Ca 0.14 -4.01 -0.38 0.00 -2.27 0.00 0.00 64.05 57.53 2r50 n THR 95 Cb 0.44 -1.15 0.05 0.00 -2.10 0.00 0.00 70.33 67.56 2r50 n THR 95 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2r50 s VAL 96 N -4.69 2.08 0.37 2.28 1.01 -1.26 -4.93 120.40 115.27 2r50 s VAL 96 Ca 0.53 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2r50 s VAL 96 Cb 0.43 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.66 2r50 s VAL 96 CO 0.02 -0.00 0.89 0.54 0.00 0.00 0.00 175.10 176.55 2r50 n ARG 97 N -1.21 1.14 -0.05 2.72 1.74 -1.26 -4.80 116.66 114.94 2r50 n ARG 97 Ca 0.11 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2r50 n ARG 97 Cb 0.46 -1.83 0.30 0.00 -1.02 0.00 0.00 32.46 30.37 2r50 n ARG 97 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2r50 h GLU 98 N 1.49 0.64 -0.24 5.56 5.08 -1.99 -1.75 114.58 123.38 2r50 h GLU 98 Ca -0.41 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 2r50 h GLU 98 Cb 1.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2r50 h GLU 98 CO 0.57 0.55 -0.14 1.79 -1.00 0.00 0.00 179.01 180.77 2r50 h THR 99 N 0.63 1.22 -0.06 1.13 1.35 -1.98 -0.09 112.91 115.11 2r50 h THR 99 Ca 0.15 -0.98 -0.16 0.00 -0.55 0.00 0.00 66.41 64.87 2r50 h THR 99 Cb 0.17 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2r50 h THR 99 CO -0.01 0.31 -0.58 0.74 -0.25 0.00 0.00 175.52 175.73 2r50 h THR 100 N 0.37 1.38 -0.85 6.82 2.02 -1.76 -1.06 112.91 119.83 2r50 h THR 100 Ca 0.07 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.28 2r50 h THR 100 Cb 0.48 2.34 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2r50 h THR 100 CO 0.03 0.58 0.42 -0.07 0.37 0.00 0.00 175.52 176.85 2r50 h LEU 101 N 0.07 1.09 -0.57 2.58 3.38 -1.27 0.12 115.31 120.71 2r50 h LEU 101 Ca -0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2r50 h LEU 101 Cb 1.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2r50 h LEU 101 CO 0.12 0.91 0.09 0.11 0.09 0.00 0.00 178.44 179.75 2r50 h LYS 102 N 1.20 0.94 -0.35 1.13 1.57 -0.93 0.16 116.57 120.29 2r50 h LYS 102 Ca 0.29 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 2r50 h LYS 102 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2r50 h LYS 102 CO -0.04 0.90 -0.27 -0.09 -0.57 0.00 0.00 179.45 179.38 2r50 h ARG 103 N 0.84 0.81 -0.77 3.15 2.43 -0.87 -0.90 114.38 119.07 2r50 h ARG 103 Ca 0.17 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2r50 h ARG 103 Cb 0.42 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2r50 h ARG 103 CO 0.01 1.03 0.39 -0.07 -1.51 0.00 0.00 179.97 179.82 2r50 h LEU 104 N 0.60 0.99 -0.37 3.80 3.38 -0.52 -0.80 115.31 122.39 2r50 h LEU 104 Ca 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2r50 h LEU 104 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2r50 h LEU 104 CO 0.07 0.83 0.20 1.23 0.09 0.00 0.00 178.44 180.87 2r50 h GLY 105 N 1.08 0.56 1.03 0.83 0.00 -0.53 -2.32 103.07 103.71 2r50 h GLY 105 Ca 0.27 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2r50 h GLY 105 CO -0.04 0.25 0.15 0.00 0.00 0.00 0.00 176.54 176.90 2r50 h ALA 106 N 1.06 0.81 -0.30 3.60 0.00 -0.90 -2.07 119.26 121.46 2r50 h ALA 106 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2r50 h ALA 106 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2r50 h ALA 106 CO -0.02 0.52 0.12 1.15 0.00 0.00 0.00 179.25 181.02 2r50 h THR 107 N 0.90 1.18 -0.12 0.00 2.02 -1.06 -1.75 112.91 114.08 2r50 h THR 107 Ca 0.19 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 2r50 h THR 107 Cb 0.36 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2r50 h THR 107 CO 0.00 0.20 -0.51 0.45 0.37 0.00 0.00 175.52 176.03 2r50 h HIS 108 N 0.34 0.39 -0.22 3.16 3.86 -1.37 -2.05 115.15 119.25 2r50 h HIS 108 Ca 0.10 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2r50 h HIS 108 Cb 0.20 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2r50 h HIS 108 CO -0.00 0.77 0.10 1.25 0.86 0.00 0.00 177.93 180.90 2r50 h LEU 109 N 0.25 0.30 -1.22 2.43 5.85 -1.27 -0.37 115.31 121.28 2r50 h LEU 109 Ca 0.01 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2r50 h LEU 109 Cb 0.99 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 2r50 h LEU 109 CO 0.08 0.36 0.55 -0.09 -0.34 0.00 0.00 178.44 179.00 2r50 h ARG 110 N 0.22 0.93 -0.17 1.25 2.43 -1.20 -1.85 114.38 115.98 2r50 h ARG 110 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2r50 h ARG 110 Cb 0.14 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2r50 h ARG 110 CO -0.01 0.61 0.00 0.66 -1.51 0.00 0.00 179.97 179.73 2r50 n TYR 111 N -4.48 0.22 -2.60 2.20 4.02 -0.78 -4.95 117.16 110.79 2r50 n TYR 111 Ca 0.12 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.90 57.84 2r50 n TYR 111 Cb 0.19 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 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 1.07 0.44 3.59 2.72 0.00 -0.70 -4.96 105.19 107.34 2r50 n GLY 112 Ca 0.15 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.86 4.77 0.65 1.61 1.01 -0.22 -5.04 120.40 120.32 2r50 s VAL 113 Ca 0.11 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2r50 s VAL 113 Cb -0.05 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.24 2r50 s VAL 113 CO 0.14 -0.38 0.90 0.00 0.00 0.00 0.00 175.10 175.77 2r50 s ALA 114 N 3.00 3.80 0.25 5.51 0.00 -1.26 -4.77 121.76 128.29 2r50 s ALA 114 Ca 0.30 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 2r50 s ALA 114 Cb -0.14 -2.03 0.50 0.00 0.00 0.00 0.00 23.12 21.46 2r50 s ALA 114 CO 0.16 -1.15 1.67 -0.44 0.00 0.00 0.00 175.76 176.00 2r50 h ASP 115 N -0.27 -0.02 -0.62 0.00 3.45 -2.00 -0.52 116.42 116.45 2r50 h ASP 115 Ca -0.39 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.22 2r50 h ASP 115 Cb 1.28 0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 40.24 2r50 h ASP 115 CO 0.46 -0.07 0.34 1.23 -1.57 0.00 0.00 179.24 179.63 2r50 h GLY 116 N 0.25 0.95 0.98 2.75 0.00 -1.98 -0.41 103.07 105.61 2r50 h GLY 116 Ca 0.44 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 2r50 h GLY 116 CO -0.55 0.40 -0.18 0.45 0.00 0.00 0.00 176.54 176.66 2r50 h HIS 117 N 0.89 0.87 -0.80 5.60 3.86 -1.48 -0.09 115.15 124.01 2r50 h HIS 117 Ca 0.23 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2r50 h HIS 117 Cb 0.04 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 2r50 h HIS 117 CO 0.01 0.95 0.53 0.74 0.86 0.00 0.00 177.93 181.02 2r50 h PHE 118 N 0.54 0.99 -0.06 2.45 0.05 -0.92 -1.58 116.94 118.41 2r50 h PHE 118 Ca 0.08 0.02 -0.20 0.00 3.82 0.00 0.00 57.97 61.69 2r50 h PHE 118 Cb 0.73 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 38.34 2r50 h PHE 118 CO 0.06 0.61 -0.80 0.93 -0.18 0.00 0.00 178.31 178.93 2r50 h GLU 119 N 1.06 0.42 -0.52 1.51 5.08 -0.52 -1.13 114.58 120.48 2r50 h GLU 119 Ca 0.30 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2r50 h GLU 119 Cb -0.09 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2r50 h GLU 119 CO -0.07 1.03 -0.09 0.28 -1.00 0.00 0.00 179.01 179.16 2r50 h VAL 120 N 0.27 1.27 -0.39 3.13 2.07 -0.81 -2.28 116.25 119.51 2r50 h VAL 120 Ca -0.05 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 2r50 h VAL 120 Cb 1.40 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2r50 h VAL 120 CO 0.14 0.43 -0.18 0.74 0.02 0.00 0.00 177.57 178.72 2r50 h THR 121 N 0.85 1.26 -0.60 2.57 2.02 -1.19 -0.85 112.91 116.97 2r50 h THR 121 Ca 0.14 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 2r50 h THR 121 Cb 0.65 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2r50 h THR 121 CO 0.04 0.42 0.01 1.23 0.37 0.00 0.00 175.52 177.60 2r50 h GLY 122 N 0.98 1.13 1.00 2.16 0.00 -1.16 -0.24 103.07 106.94 2r50 h GLY 122 Ca 0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2r50 h GLY 122 CO 0.05 0.75 0.25 -2.75 0.00 0.00 0.00 176.54 174.83 2r50 h PHE 123 N 0.96 0.93 -0.24 5.60 3.57 -1.15 -2.64 116.94 123.97 2r50 h PHE 123 Ca 0.17 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 2r50 h PHE 123 Cb 0.54 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2r50 h PHE 123 CO 0.04 0.73 -0.31 0.00 -2.23 0.00 0.00 178.31 176.54 2r50 h ALA 124 N 1.10 1.02 -0.22 2.41 0.00 -0.82 -1.32 119.26 121.43 2r50 h ALA 124 Ca 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2r50 h ALA 124 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2r50 h ALA 124 CO -0.02 0.59 0.07 1.25 0.00 0.00 0.00 179.25 181.14 2r50 h LEU 125 N 0.42 0.31 -1.13 0.00 5.85 -0.89 0.49 115.31 120.37 2r50 h LEU 125 Ca 0.05 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2r50 h LEU 125 Cb 0.76 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2r50 h LEU 125 CO 0.06 0.43 0.13 -0.07 -0.34 0.00 0.00 178.44 178.65 2r50 h LEU 126 N 0.18 0.69 -0.40 2.25 3.38 -1.33 0.18 115.31 120.27 2r50 h LEU 126 Ca 0.07 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2r50 h LEU 126 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2r50 h LEU 126 CO -0.00 0.68 -0.13 -0.33 0.09 0.00 0.00 178.44 178.74 2r50 h GLU 127 N 0.73 0.79 -0.17 1.13 5.08 -1.07 -2.32 114.58 118.74 2r50 h GLU 127 Ca 0.16 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2r50 h GLU 127 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2r50 h GLU 127 CO -0.00 0.94 0.04 1.15 -1.00 0.00 0.00 179.01 180.14 2r50 h THR 128 N 0.60 1.20 -0.48 1.13 2.02 -0.70 -1.33 112.91 115.36 2r50 h THR 128 Ca 0.10 -0.65 0.05 0.00 0.77 0.00 0.00 66.41 66.68 2r50 h THR 128 Cb 0.67 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 2r50 h THR 128 CO 0.05 0.20 0.21 0.40 0.37 0.00 0.00 175.52 176.74 2r50 h ILE 129 N 0.09 0.90 -0.63 3.11 2.04 -0.65 -1.73 117.51 120.64 2r50 h ILE 129 Ca 0.05 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2r50 h ILE 129 Cb 0.26 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2r50 h ILE 129 CO 0.00 0.07 0.42 0.50 0.00 0.00 0.00 178.15 179.14 2r50 h LYS 130 N 0.41 0.77 0.00 2.37 3.64 -1.17 -2.30 116.57 120.30 2r50 h LYS 130 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2r50 h LYS 130 Cb 0.18 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2r50 h LYS 130 CO -0.19 0.51 -0.08 0.93 -2.27 0.00 0.00 179.45 178.35 2r50 h GLU 131 N 0.80 0.00 0.00 1.90 5.08 -0.73 -3.29 114.58 118.33 2r50 h GLU 131 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2r50 h GLU 131 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2r50 h GLU 131 CO -0.06 0.00 -0.75 0.00 -1.00 0.00 0.00 179.01 177.20 2r50 n ALA 132 N -1.97 3.50 -2.84 3.43 0.00 -0.70 -4.93 120.51 117.00 2r50 n ALA 132 Ca 0.04 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.76 2r50 n ALA 132 Cb 0.49 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.53 4.18 0.45 0.00 1.02 -1.00 -4.94 118.68 114.87 2r50 s LEU 133 Ca 0.07 0.32 -0.25 0.00 0.02 0.00 0.00 54.13 54.29 2r50 s LEU 133 Cb 0.16 -2.27 -0.08 0.00 0.02 0.00 0.00 46.19 44.02 2r50 s LEU 133 CO 0.75 0.33 1.36 -2.84 0.02 0.00 0.00 176.35 175.97 2r50 s PRO 134 N -1.48 3.72 0.48 1.29 0.02 -1.26 -4.85 135.00 132.91 2r50 s PRO 134 Ca 0.21 2.27 0.22 0.00 0.02 0.00 0.00 61.00 63.72 2r50 s PRO 134 Cb -0.12 -2.63 1.25 0.00 0.02 0.00 0.00 34.50 33.02 2r50 s PRO 134 CO 0.11 -0.74 1.93 0.00 -0.33 0.00 0.00 177.00 177.97 2r50 h ALA 135 N 2.32 2.39 -0.21 -1.55 0.00 -1.94 -1.37 119.26 118.90 2r50 h ALA 135 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2r50 h ALA 135 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2r50 h ALA 135 CO 0.61 -0.60 0.02 0.38 0.00 0.00 0.00 179.25 179.66 2r50 h ASP 136 N 0.21 0.27 0.00 0.00 3.04 -2.01 -2.41 116.42 115.52 2r50 h ASP 136 Ca 0.36 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 54.12 2r50 h ASP 136 Cb 1.11 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 2r50 h ASP 136 CO -0.07 0.31 -0.06 1.15 -2.04 0.00 0.00 179.24 178.53 2r50 n MET 137 N -4.38 1.82 -3.12 4.15 0.00 -0.52 -4.85 117.12 110.22 2r50 n MET 137 Ca 0.00 -1.30 -0.37 0.00 0.00 0.00 0.00 57.70 56.03 2r50 n MET 137 Cb 0.17 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 31.86 2r50 n MET 137 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 2r50 s TRP 138 N -2.08 3.72 -0.09 3.17 -0.11 -0.91 -4.84 118.94 117.81 2r50 s TRP 138 Ca 0.32 1.40 -0.32 0.00 1.22 0.00 0.00 56.10 58.72 2r50 s TRP 138 Cb 0.20 -2.62 0.12 0.00 -1.50 0.00 0.00 33.47 29.68 2r50 s TRP 138 CO 0.35 0.41 1.15 -1.54 -4.62 0.00 0.00 176.95 172.71 2r50 s SER 139 N -1.48 -0.16 0.40 5.86 1.04 -1.26 -4.98 113.70 113.11 2r50 s SER 139 Ca 0.39 -0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.90 2r50 s SER 139 Cb -0.18 0.21 0.99 0.00 0.10 0.00 0.00 66.02 67.14 2r50 s SER 139 CO 0.22 -0.37 1.86 0.25 0.98 0.00 0.00 173.24 176.19 2r50 h LEU 140 N 2.00 0.49 -0.14 2.42 5.85 -1.99 -1.34 115.31 122.60 2r50 h LEU 140 Ca -0.17 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2r50 h LEU 140 Cb 1.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2r50 h LEU 140 CO 0.26 0.22 0.01 -0.33 -0.34 0.00 0.00 178.44 178.26 2r50 h GLU 141 N 0.51 0.24 -0.02 1.25 4.39 -1.98 -1.91 114.58 117.05 2r50 h GLU 141 Ca 0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2r50 h GLU 141 Cb 0.98 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2r50 h GLU 141 CO -0.19 0.45 0.01 1.98 -1.16 0.00 0.00 179.01 180.10 2r50 h MET 142 N -0.00 0.02 -0.22 2.33 4.05 -1.62 -2.40 114.93 117.08 2r50 h MET 142 Ca 0.04 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.52 2r50 h MET 142 Cb 0.33 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.06 2r50 h MET 142 CO 0.00 0.01 -0.30 -0.22 0.23 0.00 0.00 176.91 176.64 2r50 h LYS 143 N 0.02 -0.31 -0.12 0.39 3.64 -1.34 -1.46 116.57 117.39 2r50 h LYS 143 Ca 0.01 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2r50 h LYS 143 Cb 0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2r50 h LYS 143 CO -0.01 -0.21 -0.14 0.87 -2.27 0.00 0.00 179.45 177.70 2r50 h LYS 144 N -0.32 0.19 -0.07 1.90 1.57 -1.35 0.17 116.57 118.66 2r50 h LYS 144 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2r50 h LYS 144 Cb 0.52 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2r50 h LYS 144 CO -0.40 0.33 -0.03 0.00 -0.57 0.00 0.00 179.45 178.78 2r50 h ALA 145 N 1.68 0.10 -0.34 3.86 0.00 -1.17 0.10 119.26 123.50 2r50 h ALA 145 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2r50 h ALA 145 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2r50 h ALA 145 CO 0.02 -0.15 -0.13 -1.49 0.00 0.00 0.00 179.25 177.50 2r50 h TRP 146 N -0.23 0.78 -0.99 0.00 4.06 -0.97 -2.09 115.95 116.51 2r50 h TRP 146 Ca 0.02 -0.18 0.09 0.00 2.06 0.00 0.00 58.89 60.87 2r50 h TRP 146 Cb 0.47 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 28.37 2r50 h TRP 146 CO 0.07 0.87 0.63 0.00 -3.56 0.00 0.00 178.44 176.45 2r50 h ALA 147 N 0.79 1.42 -0.10 1.49 0.00 -0.53 -2.04 119.26 120.29 2r50 h ALA 147 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2r50 h ALA 147 Cb 0.65 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2r50 h ALA 147 CO 0.04 0.34 -0.11 0.93 0.00 0.00 0.00 179.25 180.44 2r50 h GLU 148 N 1.08 0.25 -0.14 0.00 4.39 -0.67 -1.13 114.58 118.36 2r50 h GLU 148 Ca 0.45 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 60.05 2r50 h GLU 148 Cb 0.30 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2r50 h GLU 148 CO -0.21 0.68 -0.05 0.00 -1.16 0.00 0.00 179.01 178.27 2r50 h ALA 149 N 0.56 0.07 -0.19 3.43 0.00 -1.19 -0.78 119.26 121.17 2r50 h ALA 149 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2r50 h ALA 149 Cb 0.64 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2r50 h ALA 149 CO 0.03 -0.50 0.06 -0.92 0.00 0.00 0.00 179.25 177.92 2r50 h TYR 150 N -0.02 0.30 -0.67 0.00 5.03 -1.39 -0.64 116.97 119.58 2r50 h TYR 150 Ca 0.07 -0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.40 2r50 h TYR 150 Cb 0.13 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.27 2r50 h TYR 150 CO -0.19 0.39 0.38 1.03 -1.32 0.00 0.00 178.16 178.45 2r50 h SER 151 N 0.13 0.59 -0.13 -2.11 0.87 -1.11 -1.14 113.55 110.65 2r50 h SER 151 Ca 0.06 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 2r50 h SER 151 Cb 0.22 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2r50 h SER 151 CO -0.00 0.39 -0.27 1.56 -0.53 0.00 0.00 176.83 177.97 2r50 h GLN 152 N 0.72 0.59 -0.59 2.24 1.08 -0.82 -2.02 115.11 116.31 2r50 h GLN 152 Ca 0.29 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2r50 h GLN 152 Cb 0.14 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2r50 h GLN 152 CO -0.16 0.80 0.25 1.25 -0.95 0.00 0.00 178.83 180.03 2r50 h LEU 153 N 0.51 0.80 -0.83 1.46 5.85 -0.27 -2.41 115.31 120.42 2r50 h LEU 153 Ca 0.07 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2r50 h LEU 153 Cb 0.74 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2r50 h LEU 153 CO 0.06 0.73 -0.32 0.58 -0.34 0.00 0.00 178.44 179.15 2r50 h VAL 154 N 0.81 1.28 -0.76 1.05 2.07 -1.00 -1.83 116.25 117.87 2r50 h VAL 154 Ca 0.20 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 2r50 h VAL 154 Cb 0.17 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2r50 h VAL 154 CO -0.02 0.44 0.27 0.00 0.02 0.00 0.00 177.57 178.28 2r50 h ALA 155 N 1.22 1.04 -0.45 1.67 0.00 -1.19 0.69 119.26 122.23 2r50 h ALA 155 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2r50 h ALA 155 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2r50 h ALA 155 CO 0.06 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 2r50 h ALA 156 N 1.17 1.01 -0.08 0.00 0.00 -1.10 -2.52 119.26 117.74 2r50 h ALA 156 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2r50 h ALA 156 Cb 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2r50 h ALA 156 CO -0.01 0.60 0.00 0.82 0.00 0.00 0.00 179.25 180.66 2r50 h ILE 157 N 0.72 1.24 -0.75 0.00 2.04 -0.61 -3.10 117.51 117.06 2r50 h ILE 157 Ca 0.13 -0.75 0.17 0.00 1.00 0.00 0.00 64.86 65.41 2r50 h ILE 157 Cb 0.56 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 2r50 h ILE 157 CO 0.03 0.21 0.51 0.11 0.00 0.00 0.00 178.15 179.01 2r50 h LYS 158 N -0.13 0.30 0.00 2.37 1.57 -0.70 0.12 116.57 120.10 2r50 h LYS 158 Ca 0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2r50 h LYS 158 Cb 0.32 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2r50 h LYS 158 CO 0.00 0.20 -0.11 0.00 -0.57 0.00 0.00 179.45 178.97 2r50 h ARG 159 N 0.31 0.00 -0.62 3.15 3.08 -1.37 -1.32 114.38 117.61 2r50 h ARG 159 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2r50 h ARG 159 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2r50 h ARG 159 CO -0.10 0.11 0.00 0.39 -1.07 0.00 0.00 179.97 179.30 2r50 n GLU 160 N -3.65 2.49 0.00 0.04 -0.58 0.03 -3.95 120.64 115.01 2r50 n GLU 160 Ca -0.02 -2.22 0.07 0.00 -0.42 0.00 0.00 57.16 54.57 2r50 n GLU 160 Cb 0.23 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.26 1.67 -4.27 3.49 2.81 -0.50 -4.14 117.12 117.44 2r50 n MET 161 Ca 0.21 -0.86 -0.14 0.00 -1.81 0.00 0.00 57.70 55.09 2r50 n MET 161 Cb 0.54 -1.21 -0.10 0.00 -0.71 0.00 0.00 33.22 31.73 2r50 n MET 161 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2r50 s LYS 162 N -1.58 1.22 0.72 0.03 -2.85 -1.21 -5.00 119.74 111.08 2r50 s LYS 162 Ca 0.12 -1.62 -0.15 0.00 -1.00 0.00 0.00 55.97 53.32 2r50 s LYS 162 Cb 0.11 -0.23 0.03 0.00 -2.06 0.00 0.00 37.83 35.68 2r50 s LYS 162 CO 0.31 -0.21 1.23 -2.14 0.10 0.00 0.00 175.35 174.64 2r50 s PRO 163 N -3.97 2.14 -0.12 1.78 0.02 -1.26 -4.91 135.00 128.67 2r50 s PRO 163 Ca 0.30 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.18 2r50 s PRO 163 Cb 0.07 -1.82 0.23 0.00 0.02 0.00 0.00 34.50 33.00 2r50 s PRO 163 CO 0.08 -1.85 1.17 -0.25 -0.33 0.00 0.00 177.00 175.81 2r50 n ASP 164 N -2.62 3.01 0.00 2.53 10.43 -1.26 -5.01 116.55 123.63 2r50 n ASP 164 Ca 0.14 -2.45 0.00 0.00 2.57 0.00 0.00 54.79 55.05 2r50 n ASP 164 Cb 0.50 -0.59 0.00 0.00 1.84 0.00 0.00 41.12 42.86 2r50 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13