#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vly s LEU 2 N 0.00 3.87 0.83 0.99 1.02 -1.26 -5.12 118.68 119.01 2vly s LEU 2 Ca 0.00 0.15 -0.12 0.00 0.02 0.00 0.00 54.13 54.18 2vly s LEU 2 Cb 0.00 -2.22 0.09 0.00 0.02 0.00 0.00 46.19 44.08 2vly s LEU 2 CO 0.00 0.28 1.10 -0.94 0.02 0.00 0.00 176.35 176.82 2vly s SER 3 N -1.64 4.20 0.20 2.29 1.04 -1.26 -4.82 113.70 113.70 2vly s SER 3 Ca 0.22 1.29 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 2vly s SER 3 Cb -0.12 -1.99 0.23 0.00 0.10 0.00 0.00 66.02 64.24 2vly s SER 3 CO 0.13 -2.15 1.71 0.44 0.98 0.00 0.00 173.24 174.34 2vly h ASP 4 N -1.21 -0.02 -0.51 7.02 3.32 -1.99 -0.94 116.42 122.08 2vly h ASP 4 Ca -0.48 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.73 2vly h ASP 4 Cb 1.28 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 2vly h ASP 4 CO 0.59 0.01 0.22 1.23 -1.72 0.00 0.00 179.24 179.58 2vly h GLY 5 N 0.23 0.70 0.92 2.75 0.00 -1.99 -1.20 103.07 104.48 2vly h GLY 5 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2vly h GLY 5 CO -0.37 0.06 0.10 0.83 0.00 0.00 0.00 176.54 177.17 2vly h GLU 6 N 0.44 0.32 -0.93 4.80 5.08 -1.78 -1.69 114.58 120.81 2vly h GLU 6 Ca 0.24 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2vly h GLU 6 Cb 0.20 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2vly h GLU 6 CO -0.20 0.33 0.60 -1.49 -1.00 0.00 0.00 179.01 177.26 2vly h TRP 7 N 0.22 1.09 -0.72 4.33 4.06 -0.93 -0.93 115.95 123.08 2vly h TRP 7 Ca 0.07 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 2vly h TRP 7 Cb 0.12 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 27.89 2vly h TRP 7 CO -0.02 0.57 0.36 0.37 -3.56 0.00 0.00 178.44 176.15 2vly h GLN 8 N 1.07 1.02 -0.62 0.49 4.15 -0.86 -0.93 115.11 119.43 2vly h GLN 8 Ca 0.40 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 2vly h GLN 8 Cb 0.19 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2vly h GLN 8 CO -0.15 0.79 0.34 1.96 -1.93 0.00 0.00 178.83 179.84 2vly h GLN 9 N 1.00 0.86 -0.10 1.69 1.08 -0.70 -0.86 115.11 118.07 2vly h GLN 9 Ca 0.25 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 2vly h GLN 9 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2vly h GLN 9 CO -0.03 0.65 -0.04 0.28 -0.95 0.00 0.00 178.83 178.74 2vly h VAL 10 N 0.84 0.87 0.00 -0.54 2.07 -0.63 -1.12 116.25 117.74 2vly h VAL 10 Ca 0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 2vly h VAL 10 Cb 0.04 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2vly h VAL 10 CO -0.04 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.34 2vly h LEU 11 N -0.02 0.00 -0.09 2.57 3.38 -1.05 -1.23 115.31 118.86 2vly h LEU 11 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2vly h LEU 11 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2vly h LEU 11 CO -0.12 0.14 -0.08 -1.13 0.09 0.00 0.00 178.44 177.35 2vly h ASN 12 N 0.00 0.22 -0.98 -0.43 -1.24 -0.77 -2.51 115.58 109.87 2vly h ASN 12 Ca -0.00 -0.48 0.05 0.00 0.71 0.00 0.00 56.30 56.58 2vly h ASN 12 Cb 0.80 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.73 2vly h ASN 12 CO 0.02 0.65 0.64 0.58 -1.29 0.00 0.00 177.43 178.03 2vly h VAL 13 N -0.20 1.14 0.00 2.57 2.07 -1.08 -2.33 116.25 118.42 2vly h VAL 13 Ca 0.01 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2vly h VAL 13 Cb 0.59 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2vly h VAL 13 CO 0.02 0.22 -0.14 -0.25 0.02 0.00 0.00 177.57 177.44 2vly h TRP 14 N 1.20 0.00 -0.43 1.57 2.91 -1.08 -0.03 115.95 120.09 2vly h TRP 14 Ca 0.40 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.43 2vly h TRP 14 Cb 0.06 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 2vly h TRP 14 CO -0.01 0.14 0.28 0.78 -1.03 0.00 0.00 178.44 178.61 2vly h GLY 15 N 0.52 0.61 0.94 2.65 0.00 -0.97 -0.85 103.07 105.98 2vly h GLY 15 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2vly h GLY 15 CO 0.02 0.23 0.09 0.50 0.00 0.00 0.00 176.54 177.37 2vly h LYS 16 N 0.59 0.67 -0.61 4.80 1.57 -1.04 -2.87 116.57 119.68 2vly h LYS 16 Ca 0.16 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2vly h LYS 16 Cb -0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 2vly h LYS 16 CO -0.03 0.69 0.37 0.28 -0.57 0.00 0.00 179.45 180.19 2vly h VAL 17 N 0.53 1.07 0.00 0.50 2.07 -1.18 -2.99 116.25 116.25 2vly h VAL 17 Ca 0.13 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2vly h VAL 17 Cb 0.34 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2vly h VAL 17 CO 0.00 0.13 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 2vly h GLU 18 N 0.73 0.00 0.00 1.57 5.08 -0.97 -1.66 114.58 119.33 2vly h GLU 18 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2vly h GLU 18 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2vly h GLU 18 CO -0.10 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.70 2vly h ALA 19 N 2.02 1.05 -1.23 3.43 0.00 -1.36 -3.36 119.26 119.80 2vly h ALA 19 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 2vly h ALA 19 Cb 0.25 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 17.77 2vly h ALA 19 CO 0.00 0.25 -0.67 -3.47 0.00 0.00 0.00 179.25 175.36 2vly n ASP 20 N -3.40 -2.26 -0.09 0.00 2.03 -0.67 -5.03 116.55 107.13 2vly n ASP 20 Ca -0.00 -2.84 -0.09 0.00 0.52 0.00 0.00 54.79 52.38 2vly n ASP 20 Cb 0.40 0.97 0.06 0.00 -0.72 0.00 0.00 41.12 41.83 2vly n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2vly h ILE 21 N 4.19 1.28 -0.43 5.18 6.09 -1.61 -1.87 117.51 130.34 2vly h ILE 21 Ca 0.07 -1.42 -0.09 0.00 -1.37 0.00 0.00 64.86 62.05 2vly h ILE 21 Cb 1.02 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.57 2vly h ILE 21 CO 0.21 0.47 -0.07 0.00 -3.07 0.00 0.00 178.15 175.69 2vly h ALA 22 N 0.99 0.59 -0.15 0.18 0.00 -1.87 -0.26 119.26 118.74 2vly h ALA 22 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2vly h ALA 22 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2vly h ALA 22 CO 0.07 0.45 0.07 0.78 0.00 0.00 0.00 179.25 180.61 2vly h GLY 23 N 0.64 0.23 1.00 0.00 0.00 -1.90 0.80 103.07 103.84 2vly h GLY 23 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2vly h GLY 23 CO 0.04 0.11 0.32 0.45 0.00 0.00 0.00 176.54 177.46 2vly h HIS 24 N 0.10 0.92 0.02 5.60 -0.00 -1.35 -1.60 115.15 118.84 2vly h HIS 24 Ca 0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2vly h HIS 24 Cb 0.13 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.26 2vly h HIS 24 CO -0.02 0.69 -0.01 0.78 -0.00 0.00 0.00 177.93 179.36 2vly h GLY 25 N 0.89 -0.02 0.17 2.45 0.00 -0.83 -0.28 103.07 105.44 2vly h GLY 25 Ca 0.22 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.64 2vly h GLY 25 CO -0.03 -0.01 -0.15 -1.61 0.00 0.00 0.00 176.54 174.74 2vly h GLN 26 N -0.14 -0.09 -0.22 4.80 4.15 -0.80 -1.31 115.11 121.50 2vly h GLN 26 Ca -0.00 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2vly h GLN 26 Cb 0.14 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2vly h GLN 26 CO 0.00 -0.06 -0.29 0.93 -1.93 0.00 0.00 178.83 177.48 2vly h GLU 27 N -0.09 0.43 -0.01 1.69 5.08 -1.00 -0.47 114.58 120.21 2vly h GLU 27 Ca 0.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vly h GLU 27 Cb 0.36 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2vly h GLU 27 CO -0.41 0.69 0.01 0.28 -1.00 0.00 0.00 179.01 178.57 2vly h VAL 28 N 0.38 1.11 -0.59 3.13 2.07 -0.64 -0.87 116.25 120.85 2vly h VAL 28 Ca 0.05 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2vly h VAL 28 Cb 0.71 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2vly h VAL 28 CO 0.05 0.08 0.14 -0.07 0.02 0.00 0.00 177.57 177.80 2vly h LEU 29 N -0.11 0.89 -0.57 2.57 3.38 -0.94 -1.72 115.31 118.81 2vly h LEU 29 Ca 0.00 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2vly h LEU 29 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2vly h LEU 29 CO -0.00 0.89 0.37 0.40 0.09 0.00 0.00 178.44 180.20 2vly h ILE 30 N 0.85 1.14 -0.77 1.22 2.04 -1.01 0.70 117.51 121.68 2vly h ILE 30 Ca 0.18 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2vly h ILE 30 Cb 0.35 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2vly h ILE 30 CO 0.00 0.14 0.50 -0.09 0.00 0.00 0.00 178.15 178.70 2vly h ARG 31 N 0.76 0.99 -0.19 2.37 9.65 -0.93 -0.71 114.38 126.33 2vly h ARG 31 Ca 0.21 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2vly h ARG 31 Cb -0.08 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.27 2vly h ARG 31 CO -0.05 0.65 0.08 1.25 2.80 0.00 0.00 179.97 184.71 2vly h LEU 32 N 1.02 0.25 -0.66 3.80 5.85 -0.83 -1.10 115.31 123.64 2vly h LEU 32 Ca 0.29 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2vly h LEU 32 Cb -0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2vly h LEU 32 CO -0.07 0.32 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.72 2vly h PHE 33 N 0.16 0.74 0.12 1.25 0.04 -0.61 -0.55 116.94 118.10 2vly h PHE 33 Ca 0.06 -0.20 -0.27 0.00 2.80 0.00 0.00 57.97 60.36 2vly h PHE 33 Cb 0.14 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.14 2vly h PHE 33 CO -0.02 0.91 -1.23 1.79 -0.60 0.00 0.00 178.31 179.16 2vly h THR 34 N 0.52 1.49 0.00 -1.55 1.35 -1.16 -2.89 112.91 110.67 2vly h THR 34 Ca 0.05 -3.01 -0.17 0.00 -0.55 0.00 0.00 66.41 62.73 2vly h THR 34 Cb 0.87 2.92 -0.02 0.00 -1.73 0.00 0.00 68.15 70.18 2vly h THR 34 CO 0.08 0.88 -0.80 1.23 -0.25 0.00 0.00 175.52 176.66 2vly h GLY 35 N 1.51 0.00 -6.12 5.82 0.00 -1.16 -3.40 103.07 99.72 2vly h GLY 35 Ca -0.13 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.66 2vly h GLY 35 CO 0.20 0.00 -0.96 1.42 0.00 0.00 0.00 176.54 177.20 2vly n HIS 36 N -3.57 -1.10 0.16 5.60 8.25 -0.22 -5.01 115.22 119.34 2vly n HIS 36 Ca -0.01 -3.17 0.18 0.00 -0.26 0.00 0.00 57.72 54.46 2vly n HIS 36 Cb 0.77 0.24 0.79 0.00 1.12 0.00 0.00 29.99 32.92 2vly n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2vly h PRO 37 N 5.12 0.00 -0.26 -0.41 0.11 -1.72 -0.49 132.00 134.35 2vly h PRO 37 Ca 0.19 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.38 2vly h PRO 37 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2vly h PRO 37 CO 0.36 0.00 0.20 1.05 -0.21 0.00 0.00 178.00 179.40 2vly h GLU 38 N 0.00 0.00 -0.08 1.05 9.09 -1.93 -1.91 114.58 120.80 2vly h GLU 38 Ca 0.13 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.44 2vly h GLU 38 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 2vly h GLU 38 CO -0.00 0.00 -0.37 1.79 0.05 0.00 0.00 179.01 180.48 2vly h THR 39 N 0.00 1.28 -0.04 -1.06 1.35 -1.41 -2.66 112.91 110.38 2vly h THR 39 Ca 0.12 -1.37 -0.04 0.00 -0.55 0.00 0.00 66.41 64.57 2vly h THR 39 Cb 0.52 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2vly h THR 39 CO -0.00 0.41 -0.17 0.25 -0.25 0.00 0.00 175.52 175.75 2vly h LEU 40 N 0.14 0.05 -1.11 3.87 5.85 -1.49 -1.59 115.31 121.04 2vly h LEU 40 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2vly h LEU 40 Cb 0.72 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2vly h LEU 40 CO 0.05 0.23 0.00 -0.33 -0.34 0.00 0.00 178.44 178.05 2vly h GLU 41 N 0.05 0.00 0.00 1.25 4.39 -1.52 -1.19 114.58 117.56 2vly h GLU 41 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2vly h GLU 41 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2vly h GLU 41 CO 0.02 0.00 -0.09 1.63 -1.16 0.00 0.00 179.01 179.41 2vly n LYS 42 N -2.36 0.02 -3.73 2.33 4.76 -0.60 -4.47 118.16 114.10 2vly n LYS 42 Ca 0.01 0.01 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 2vly n LYS 42 Cb 0.17 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 2vly n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2vly s PHE 43 N -3.01 3.45 0.42 2.13 0.40 -0.45 -4.94 117.98 115.98 2vly s PHE 43 Ca 0.13 -2.64 0.19 0.00 -0.60 0.00 0.00 56.93 54.01 2vly s PHE 43 Cb 0.18 -3.21 1.11 0.00 0.51 0.00 0.00 43.02 41.62 2vly s PHE 43 CO 0.57 -0.87 1.84 -0.44 0.70 0.00 0.00 175.22 177.01 2vly h ASP 44 N 7.29 0.39 0.48 1.36 3.32 -1.80 -0.21 116.42 127.26 2vly h ASP 44 Ca -0.05 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vly h ASP 44 Cb 0.98 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2vly h ASP 44 CO 0.71 0.14 0.00 2.29 -1.72 0.00 0.00 179.24 180.66 2vly n LYS 45 N -4.51 0.43 0.00 3.56 2.85 -1.26 -3.24 118.16 115.99 2vly n LYS 45 Ca 0.20 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.49 2vly n LYS 45 Cb 0.75 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 2vly n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2vly n PHE 46 N -1.26 0.00 -0.16 5.58 3.72 -0.19 -4.75 117.46 120.40 2vly n PHE 46 Ca 0.14 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.78 2vly n PHE 46 Cb 0.21 0.00 0.66 0.00 -0.94 0.00 0.00 39.48 39.41 2vly n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2vly h LYS 47 N 0.21 0.11 0.00 -1.08 1.57 -1.27 -0.39 116.57 115.72 2vly h LYS 47 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2vly h LYS 47 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2vly h LYS 47 CO 0.00 0.07 0.00 -2.39 -0.57 0.00 0.00 179.45 176.56 2vly n HIS 48 N -4.35 0.00 -2.67 -1.35 1.44 -1.26 -4.57 115.22 102.45 2vly n HIS 48 Ca 0.17 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.46 2vly n HIS 48 Cb 0.82 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 2vly n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2vly s LEU 49 N -2.85 3.88 0.08 2.39 1.43 -0.16 -4.81 118.68 118.65 2vly s LEU 49 Ca 0.10 -1.33 0.23 0.00 -1.03 0.00 0.00 54.13 52.10 2vly s LEU 49 Cb 0.10 -2.51 0.16 0.00 0.03 0.00 0.00 46.19 43.97 2vly s LEU 49 CO 0.27 -1.47 1.14 0.29 0.23 0.00 0.00 176.35 176.81 2vly n LYS 50 N 8.33 0.31 -4.19 1.70 4.76 -1.26 -4.91 118.16 122.89 2vly n LYS 50 Ca 0.21 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2vly n LYS 50 Cb 0.50 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 2vly n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vly s THR 51 N -3.20 0.87 0.42 -0.18 -4.23 -1.26 -5.04 115.64 103.02 2vly s THR 51 Ca 0.04 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 58.74 2vly s THR 51 Cb 0.14 -1.69 0.17 0.00 1.34 0.00 0.00 72.50 72.46 2vly s THR 51 CO 0.77 -0.80 1.95 -0.08 -0.54 0.00 0.00 174.62 175.93 2vly h GLU 52 N 2.98 0.09 -0.48 3.99 4.81 -1.99 -1.63 114.58 122.36 2vly h GLU 52 Ca -0.36 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2vly h GLU 52 Cb 1.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2vly h GLU 52 CO 0.63 0.26 0.21 0.00 -0.73 0.00 0.00 179.01 179.38 2vly h ALA 53 N 1.74 0.62 -0.92 2.92 0.00 -1.99 0.48 119.26 122.11 2vly h ALA 53 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2vly h ALA 53 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2vly h ALA 53 CO 0.02 0.21 0.54 0.93 0.00 0.00 0.00 179.25 180.95 2vly h GLU 54 N 0.63 1.26 -0.56 0.00 5.08 -1.87 -1.40 114.58 117.72 2vly h GLU 54 Ca 0.16 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2vly h GLU 54 Cb 0.16 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2vly h GLU 54 CO -0.02 0.89 0.26 0.52 -1.00 0.00 0.00 179.01 179.66 2vly h MET 55 N 1.27 0.81 -0.23 2.33 2.86 -0.66 -2.34 114.93 118.96 2vly h MET 55 Ca 0.33 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2vly h MET 55 Cb -0.03 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2vly h MET 55 CO -0.06 0.67 -0.18 0.87 1.06 0.00 0.00 176.91 179.27 2vly h LYS 56 N 0.76 0.41 0.00 1.72 1.79 -0.56 -2.73 116.57 117.95 2vly h LYS 56 Ca 0.19 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2vly h LYS 56 Cb 0.13 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2vly h LYS 56 CO -0.02 0.58 -0.15 0.00 -1.08 0.00 0.00 179.45 178.77 2vly n ALA 57 N -2.48 2.53 -2.56 3.86 0.00 -0.56 -4.82 120.51 116.47 2vly n ALA 57 Ca -0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2vly n ALA 57 Cb 0.34 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 2vly n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2vly s SER 58 N -3.86 6.69 0.31 0.00 0.15 -0.90 -4.89 113.70 111.20 2vly s SER 58 Ca 0.11 0.76 0.09 0.00 0.70 0.00 0.00 55.95 57.61 2vly s SER 58 Cb 0.15 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.42 2vly s SER 58 CO 0.61 -1.15 1.72 -0.33 1.20 0.00 0.00 173.24 175.28 2vly h GLU 59 N 9.09 0.14 -0.23 5.44 4.39 -1.88 -2.89 114.58 128.64 2vly h GLU 59 Ca -0.23 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2vly h GLU 59 Cb 1.07 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2vly h GLU 59 CO 1.09 0.56 -0.20 0.22 -1.16 0.00 0.00 179.01 179.51 2vly h ASP 60 N 0.12 0.41 -0.66 1.42 3.58 -1.97 -1.36 116.42 117.96 2vly h ASP 60 Ca 0.01 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2vly h ASP 60 Cb 0.82 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 2vly h ASP 60 CO 0.06 0.62 0.22 0.25 -2.88 0.00 0.00 179.24 177.52 2vly h LEU 61 N 0.38 0.94 -0.60 2.28 5.85 -1.85 -1.23 115.31 121.09 2vly h LEU 61 Ca 0.06 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2vly h LEU 61 Cb 0.57 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2vly h LEU 61 CO 0.04 0.89 0.27 0.11 -0.34 0.00 0.00 178.44 179.41 2vly h LYS 62 N 0.94 0.87 -0.15 1.25 1.57 -1.36 -0.66 116.57 119.03 2vly h LYS 62 Ca 0.21 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2vly h LYS 62 Cb 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2vly h LYS 62 CO -0.01 0.72 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.30 2vly h LYS 63 N 0.82 -0.05 -0.62 3.15 3.64 -1.01 -0.43 116.57 122.07 2vly h LYS 63 Ca 0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2vly h LYS 63 Cb 0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2vly h LYS 63 CO -0.02 -0.03 0.24 1.25 -2.27 0.00 0.00 179.45 178.61 2vly h HIS 64 N -0.05 0.91 -0.82 1.91 2.76 -1.07 -1.59 115.15 117.20 2vly h HIS 64 Ca 0.08 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2vly h HIS 64 Cb 0.17 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 2vly h HIS 64 CO -0.21 0.71 0.52 0.78 -1.30 0.00 0.00 177.93 178.43 2vly h GLY 65 N 1.00 1.18 0.86 5.26 0.00 -0.60 0.43 103.07 111.20 2vly h GLY 65 Ca 0.21 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.09 2vly h GLY 65 CO -0.02 0.45 0.14 -0.84 0.00 0.00 0.00 176.54 176.28 2vly h THR 66 N 1.12 0.99 -0.44 4.70 2.02 -0.52 -0.44 112.91 120.34 2vly h THR 66 Ca 0.30 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 2vly h THR 66 Cb -0.08 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2vly h THR 66 CO -0.06 0.06 0.26 0.58 0.37 0.00 0.00 175.52 176.73 2vly h VAL 67 N 0.30 1.14 -0.01 3.16 2.07 -0.67 -0.67 116.25 121.57 2vly h VAL 67 Ca 0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2vly h VAL 67 Cb 0.04 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2vly h VAL 67 CO -0.09 0.14 0.00 0.58 0.02 0.00 0.00 177.57 178.23 2vly h VAL 68 N 0.58 1.24 0.00 2.57 2.07 -0.76 -2.05 116.25 119.90 2vly h VAL 68 Ca 0.16 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2vly h VAL 68 Cb 0.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2vly h VAL 68 CO -0.03 0.19 -0.47 -0.07 0.02 0.00 0.00 177.57 177.21 2vly h LEU 69 N -0.27 0.00 -0.70 2.57 3.38 -1.05 -1.85 115.31 117.39 2vly h LEU 69 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2vly h LEU 69 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2vly h LEU 69 CO 0.00 0.47 0.17 0.74 0.09 0.00 0.00 178.44 179.92 2vly h THR 70 N 0.00 1.26 -0.28 0.22 2.02 -1.03 -0.02 112.91 115.08 2vly h THR 70 Ca -0.00 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 2vly h THR 70 Cb 0.92 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2vly h THR 70 CO 0.06 0.37 -0.06 0.00 0.37 0.00 0.00 175.52 176.26 2vly h ALA 71 N 1.08 0.38 -0.65 6.16 0.00 -1.01 -1.99 119.26 123.23 2vly h ALA 71 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2vly h ALA 71 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2vly h ALA 71 CO 0.00 0.19 0.39 1.25 0.00 0.00 0.00 179.25 181.08 2vly h LEU 72 N 0.29 0.79 -0.66 0.00 5.85 -1.24 -2.21 115.31 118.12 2vly h LEU 72 Ca 0.07 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2vly h LEU 72 Cb 0.53 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2vly h LEU 72 CO 0.03 0.62 0.38 1.23 -0.34 0.00 0.00 178.44 180.36 2vly h GLY 73 N 0.89 0.96 1.01 3.75 0.00 -0.86 0.12 103.07 108.94 2vly h GLY 73 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2vly h GLY 73 CO -0.04 0.19 0.43 -1.33 0.00 0.00 0.00 176.54 175.79 2vly h GLY 74 N 0.72 0.92 0.82 4.60 0.00 -1.12 -1.77 103.07 107.25 2vly h GLY 74 Ca 0.29 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2vly h GLY 74 CO -0.15 0.34 0.02 -2.22 0.00 0.00 0.00 176.54 174.52 2vly h ILE 75 N 0.89 1.16 -0.90 2.60 2.04 -0.89 -3.14 117.51 119.27 2vly h ILE 75 Ca 0.24 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2vly h ILE 75 Cb -0.10 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2vly h ILE 75 CO -0.05 0.13 0.59 -0.07 0.00 0.00 0.00 178.15 178.75 2vly h LEU 76 N -0.11 0.93 -0.38 1.44 3.38 -0.56 -1.69 115.31 118.32 2vly h LEU 76 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vly h LEU 76 Cb 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2vly h LEU 76 CO -0.00 0.61 0.00 0.29 0.09 0.00 0.00 178.44 179.43 2vly n LYS 77 N -4.48 0.08 0.00 1.13 5.02 -0.69 -1.24 118.16 117.99 2vly n LYS 77 Ca 0.13 0.37 0.14 0.00 -2.02 0.00 0.00 58.31 56.93 2vly n LYS 77 Cb 0.17 -1.67 0.62 0.00 -0.02 0.00 0.00 35.03 34.12 2vly n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vly n LYS 78 N -1.83 0.00 -3.84 1.97 4.76 -0.64 -4.96 118.16 113.63 2vly n LYS 78 Ca 0.02 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 2vly n LYS 78 Cb 0.16 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2vly n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2vly n LYS 79 N -1.50 -3.79 0.00 1.97 5.02 -0.38 -1.40 118.16 118.08 2vly n LYS 79 Ca 0.07 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2vly n LYS 79 Cb 0.34 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 2vly n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vly n GLY 80 N -1.81 2.96 2.48 0.72 0.00 -1.26 -4.92 105.19 103.37 2vly n GLY 80 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2vly n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vly n HIS 81 N -2.00 2.60 -1.02 1.61 8.25 -0.50 -4.62 115.22 119.55 2vly n HIS 81 Ca 0.00 -2.84 0.10 0.00 -0.26 0.00 0.00 57.72 54.72 2vly n HIS 81 Cb 0.00 -1.88 0.14 0.00 1.12 0.00 0.00 29.99 29.37 2vly n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2vly n HIS 82 N 1.90 0.04 -0.19 4.41 1.44 -1.26 -4.79 115.22 116.78 2vly n HIS 82 Ca 0.63 -0.97 -0.00 0.00 -2.01 0.00 0.00 57.72 55.36 2vly n HIS 82 Cb 0.25 -0.15 0.10 0.00 0.12 0.00 0.00 29.99 30.30 2vly n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2vly h GLU 83 N 0.08 0.23 -0.40 -1.40 4.57 -1.99 0.15 114.58 115.82 2vly h GLU 83 Ca 0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2vly h GLU 83 Cb 1.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2vly h GLU 83 CO 0.01 0.15 -0.04 0.00 -1.18 0.00 0.00 179.01 177.95 2vly h ALA 84 N 1.46 1.19 0.08 2.92 0.00 -2.00 -0.88 119.26 122.02 2vly h ALA 84 Ca 0.30 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2vly h ALA 84 Cb 0.44 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2vly h ALA 84 CO -0.40 0.53 -1.13 0.93 0.00 0.00 0.00 179.25 179.18 2vly h GLU 85 N 0.62 0.45 0.16 0.00 3.07 -1.77 -3.38 114.58 113.73 2vly h GLU 85 Ca 0.12 -0.59 -0.30 0.00 -0.50 0.00 0.00 59.36 58.09 2vly h GLU 85 Cb 0.44 0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2vly h GLU 85 CO 0.02 1.23 -1.47 1.25 -1.40 0.00 0.00 179.01 178.64 2vly h LEU 86 N 0.21 0.52 -0.44 1.33 6.46 -0.56 -3.36 115.31 119.46 2vly h LEU 86 Ca -0.13 -0.90 0.09 0.00 -0.12 0.00 0.00 57.88 56.82 2vly h LEU 86 Cb 1.80 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 41.46 2vly h LEU 86 CO 0.20 1.66 -0.26 0.50 -0.62 0.00 0.00 178.44 179.93 2vly h LYS 87 N -0.13 -0.16 -0.12 1.25 3.64 -1.33 -0.33 116.57 119.39 2vly h LYS 87 Ca -0.30 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2vly h LYS 87 Cb 1.90 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 2vly h LYS 87 CO 0.13 -0.11 -0.13 -1.00 -2.27 0.00 0.00 179.45 176.07 2vly h PRO 88 N -0.17 0.19 -0.17 1.90 0.13 -1.76 -1.06 132.00 131.06 2vly h PRO 88 Ca 0.20 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.11 2vly h PRO 88 Cb 0.49 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 2vly h PRO 88 CO -0.54 0.33 -0.62 -0.07 -0.23 0.00 0.00 178.00 176.86 2vly h LEU 89 N 0.18 0.69 -0.39 1.56 3.38 -1.43 -0.26 115.31 119.04 2vly h LEU 89 Ca 0.04 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2vly h LEU 89 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2vly h LEU 89 CO 0.02 1.14 0.23 0.00 0.09 0.00 0.00 178.44 179.92 2vly h ALA 90 N 0.86 0.50 -0.42 1.53 0.00 -0.67 -1.51 119.26 119.55 2vly h ALA 90 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2vly h ALA 90 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2vly h ALA 90 CO 0.12 0.00 -0.27 1.96 0.00 0.00 0.00 179.25 181.07 2vly h GLN 91 N 0.51 0.93 -0.50 0.00 4.20 -1.12 -1.43 115.11 117.69 2vly h GLN 91 Ca 0.14 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 2vly h GLN 91 Cb 0.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2vly h GLN 91 CO -0.02 1.09 0.18 1.03 -0.67 0.00 0.00 178.83 180.44 2vly h SER 92 N 0.76 0.70 0.74 1.46 0.87 -0.98 0.10 113.55 117.20 2vly h SER 92 Ca 0.09 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.29 2vly h SER 92 Cb 0.85 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2vly h SER 92 CO 0.07 0.70 -0.80 0.45 -0.53 0.00 0.00 176.83 176.72 2vly h HIS 93 N 0.67 0.06 0.14 2.24 3.86 -1.20 -1.13 115.15 119.79 2vly h HIS 93 Ca 0.16 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2vly h HIS 93 Cb 0.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2vly h HIS 93 CO 0.01 0.82 -0.07 0.00 0.86 0.00 0.00 177.93 179.55 2vly h ALA 94 N 1.17 -0.19 -0.00 2.45 0.00 -1.19 0.28 119.26 121.79 2vly h ALA 94 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2vly h ALA 94 Cb 1.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2vly h ALA 94 CO 0.11 -0.19 -0.02 1.79 0.00 0.00 0.00 179.25 180.93 2vly h THR 95 N -1.01 1.62 0.00 0.00 1.35 -1.05 -3.06 112.91 110.75 2vly h THR 95 Ca -0.02 -1.84 -0.06 0.00 -0.55 0.00 0.00 66.41 63.94 2vly h THR 95 Cb 0.32 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 2vly h THR 95 CO 0.03 0.48 -0.45 0.50 -0.25 0.00 0.00 175.52 175.83 2vly h LYS 96 N -0.76 0.00 0.00 4.72 3.64 -1.39 -3.39 116.57 119.40 2vly h LYS 96 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2vly h LYS 96 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2vly h LYS 96 CO 0.00 0.53 -0.59 0.45 -2.27 0.00 0.00 179.45 177.56 2vly h HIS 97 N -1.00 0.00 -5.87 1.91 3.86 -1.37 -3.49 115.15 109.19 2vly h HIS 97 Ca -0.09 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.76 2vly h HIS 97 Cb 0.72 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.31 2vly h HIS 97 CO 0.05 0.00 -0.85 1.63 0.86 0.00 0.00 177.93 179.61 2vly n LYS 98 N -2.44 -3.62 -3.44 2.45 4.76 -0.26 -4.97 118.16 110.64 2vly n LYS 98 Ca 0.03 0.69 -0.43 0.00 -2.87 0.00 0.00 58.31 55.73 2vly n LYS 98 Cb 0.49 -5.24 -0.10 0.00 -1.84 0.00 0.00 35.03 28.34 2vly n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2vly s ILE 99 N -3.50 5.23 0.64 -0.18 -1.09 0.83 -4.94 121.20 118.19 2vly s ILE 99 Ca 0.23 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.90 2vly s ILE 99 Cb -0.05 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2vly s ILE 99 CO 0.79 -0.31 1.24 -2.65 -1.23 0.00 0.00 174.94 172.78 2vly n PRO 100 N 5.23 1.10 0.18 2.79 -0.02 -1.26 -4.69 135.00 138.32 2vly n PRO 100 Ca -0.10 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 2vly n PRO 100 Cb 0.47 -2.48 0.71 0.00 -0.02 0.00 0.00 33.50 32.19 2vly n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2vly h ILE 101 N 0.55 0.80 -0.94 4.25 6.09 -1.94 0.21 117.51 126.52 2vly h ILE 101 Ca -0.51 0.00 0.19 0.00 -1.37 0.00 0.00 64.86 63.17 2vly h ILE 101 Cb 1.34 0.90 -0.08 0.00 0.47 0.00 0.00 36.82 39.45 2vly h ILE 101 CO 0.53 0.00 0.60 0.50 -3.07 0.00 0.00 178.15 176.71 2vly h LYS 102 N 0.00 0.55 0.00 2.19 1.63 -1.93 -0.76 116.57 118.25 2vly h LYS 102 Ca 0.09 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.73 2vly h LYS 102 Cb 0.38 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2vly h LYS 102 CO -0.00 0.37 -0.57 1.88 -3.45 0.00 0.00 179.45 177.67 2vly h TYR 103 N 0.57 0.00 -0.06 1.91 -1.99 -1.29 -0.71 116.97 115.40 2vly h TYR 103 Ca 0.50 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.10 2vly h TYR 103 Cb 1.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 2vly h TYR 103 CO -0.00 0.57 -0.56 -0.07 -0.00 0.00 0.00 178.16 178.10 2vly h LEU 104 N 0.00 0.21 -0.26 3.88 -0.00 -1.21 -1.53 115.31 116.41 2vly h LEU 104 Ca -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2vly h LEU 104 Cb 1.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2vly h LEU 104 CO 0.07 0.73 0.11 -0.08 -0.00 0.00 0.00 178.44 179.27 2vly h GLU 105 N 0.15 0.38 -0.26 1.13 4.81 -0.73 -1.50 114.58 118.56 2vly h GLU 105 Ca -0.00 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2vly h GLU 105 Cb 1.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2vly h GLU 105 CO 0.08 0.41 0.02 0.74 -0.73 0.00 0.00 179.01 179.53 2vly h PHE 106 N 0.27 0.02 -0.23 0.92 0.04 -0.91 -1.01 116.94 116.04 2vly h PHE 106 Ca 0.09 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 2vly h PHE 106 Cb 0.17 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2vly h PHE 106 CO -0.01 -0.02 -0.28 0.97 -0.60 0.00 0.00 178.31 178.36 2vly h ILE 107 N 0.10 1.27 -0.16 -0.55 2.10 -1.25 -0.77 117.51 118.26 2vly h ILE 107 Ca 0.12 -1.32 0.01 0.00 1.08 0.00 0.00 64.86 64.76 2vly h ILE 107 Cb 0.15 1.41 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 2vly h ILE 107 CO -0.19 0.41 0.06 0.28 -1.08 0.00 0.00 178.15 177.63 2vly h SER 108 N 0.39 0.07 -0.90 2.19 0.02 -0.86 -0.84 113.55 113.62 2vly h SER 108 Ca 0.05 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2vly h SER 108 Cb 0.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2vly h SER 108 CO 0.05 0.06 0.56 0.44 -1.14 0.00 0.00 176.83 176.81 2vly h ASP 109 N 0.14 1.07 -0.85 3.07 3.32 -0.95 -2.52 116.42 119.69 2vly h ASP 109 Ca 0.07 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2vly h ASP 109 Cb 0.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2vly h ASP 109 CO -0.07 0.81 0.45 0.00 -1.72 0.00 0.00 179.24 178.71 2vly h ALA 110 N 1.38 1.10 -0.25 3.45 0.00 -0.78 -1.39 119.26 122.76 2vly h ALA 110 Ca 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vly h ALA 110 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2vly h ALA 110 CO -0.06 0.63 0.16 0.82 0.00 0.00 0.00 179.25 180.79 2vly h ILE 111 N 1.20 1.09 -0.40 0.00 2.04 -0.75 -0.36 117.51 120.32 2vly h ILE 111 Ca 0.30 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2vly h ILE 111 Cb 0.06 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2vly h ILE 111 CO -0.04 0.08 0.17 0.40 0.00 0.00 0.00 178.15 178.76 2vly h ILE 112 N 0.33 0.93 0.37 -0.67 1.08 -1.25 -0.79 117.51 117.49 2vly h ILE 112 Ca 0.09 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2vly h ILE 112 Cb -0.00 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2vly h ILE 112 CO -0.02 0.07 -0.23 -0.74 -0.69 0.00 0.00 178.15 176.54 2vly h HIS 113 N 0.36 -0.60 -0.99 1.37 2.76 -1.03 -2.37 115.15 114.65 2vly h HIS 113 Ca 0.18 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.46 2vly h HIS 113 Cb 0.13 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.21 2vly h HIS 113 CO -0.12 -0.35 0.62 0.28 -1.30 0.00 0.00 177.93 177.05 2vly h VAL 114 N -0.57 0.92 -0.33 5.26 2.07 -0.97 0.42 116.25 123.05 2vly h VAL 114 Ca -0.04 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2vly h VAL 114 Cb 0.47 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2vly h VAL 114 CO 0.04 0.18 0.15 -0.07 0.02 0.00 0.00 177.57 177.88 2vly h LEU 115 N 0.98 0.20 -0.72 2.57 3.38 -0.96 0.30 115.31 121.05 2vly h LEU 115 Ca 0.49 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.43 2vly h LEU 115 Cb 0.48 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2vly h LEU 115 CO -0.27 0.15 0.23 0.45 0.09 0.00 0.00 178.44 179.10 2vly h HIS 116 N 0.31 1.15 -0.61 1.13 3.86 -0.88 -1.15 115.15 118.95 2vly h HIS 116 Ca 0.14 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 2vly h HIS 116 Cb 0.08 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2vly h HIS 116 CO -0.11 0.91 0.04 1.03 0.86 0.00 0.00 177.93 180.66 2vly h SER 117 N 1.05 0.99 1.14 2.45 0.87 -0.45 -2.23 113.55 117.38 2vly h SER 117 Ca 0.23 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2vly h SER 117 Cb 0.29 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2vly h SER 117 CO -0.01 1.02 -0.76 0.11 -0.53 0.00 0.00 176.83 176.66 2vly h LYS 118 N 0.95 0.00 -1.68 2.24 1.57 -0.90 -3.39 116.57 115.36 2vly h LYS 118 Ca 0.18 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.49 2vly h LYS 118 Cb 0.49 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.40 2vly h LYS 118 CO 0.02 0.00 -1.05 0.72 -0.57 0.00 0.00 179.45 178.57 2vly n HIS 119 N -2.64 1.49 -2.05 -1.35 8.25 -0.44 -5.09 115.22 113.39 2vly n HIS 119 Ca 0.01 -3.45 -0.42 0.00 -0.26 0.00 0.00 57.72 53.61 2vly n HIS 119 Cb 0.53 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 2vly n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2vly s PRO 120 N -2.94 4.28 0.00 -0.41 0.04 -0.85 -1.24 135.00 133.88 2vly s PRO 120 Ca 0.38 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2vly s PRO 120 Cb 0.38 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2vly s PRO 120 CO -0.07 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2vly n GLY 121 N 2.68 1.11 0.10 0.56 0.00 -1.26 -4.81 105.19 103.56 2vly n GLY 121 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2vly n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2vly n ASP 122 N 0.00 2.29 -3.72 1.61 2.03 -0.37 -4.83 116.55 113.56 2vly n ASP 122 Ca 0.00 -2.60 -0.29 0.00 0.52 0.00 0.00 54.79 52.42 2vly n ASP 122 Cb 0.00 -0.25 -0.12 0.00 -0.72 0.00 0.00 41.12 40.02 2vly n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2vly s PHE 123 N -2.04 2.21 0.93 -0.67 5.36 -1.20 -5.03 117.98 117.54 2vly s PHE 123 Ca 0.19 -2.62 -0.12 0.00 -0.96 0.00 0.00 56.93 53.42 2vly s PHE 123 Cb 0.16 -1.96 0.15 0.00 -0.34 0.00 0.00 43.02 41.04 2vly s PHE 123 CO 0.02 -0.74 1.13 0.20 -1.46 0.00 0.00 175.22 174.37 2vly s GLY 124 N -0.05 1.57 0.26 13.12 0.00 -1.26 -4.65 107.32 116.31 2vly s GLY 124 Ca 0.21 -0.48 -0.05 0.00 0.00 0.00 0.00 44.72 44.40 2vly s GLY 124 CO -0.06 0.09 1.92 0.00 0.00 0.00 0.00 173.10 175.05 2vly h ALA 125 N -1.59 1.33 -0.54 3.20 0.00 -1.99 0.38 119.26 120.04 2vly h ALA 125 Ca -0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2vly h ALA 125 Cb 1.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2vly h ALA 125 CO 0.61 0.59 0.09 0.38 0.00 0.00 0.00 179.25 180.92 2vly h ASP 126 N 1.29 0.85 -0.36 0.00 2.03 -2.00 -1.69 116.42 116.55 2vly h ASP 126 Ca 0.39 -0.26 -0.03 0.00 -0.73 0.00 0.00 57.03 56.40 2vly h ASP 126 Cb -0.04 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.21 2vly h ASP 126 CO -0.11 0.90 0.12 0.00 -1.03 0.00 0.00 179.24 179.12 2vly h ALA 127 N 0.99 0.48 -0.75 4.15 0.00 -1.68 -1.31 119.26 121.13 2vly h ALA 127 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vly h ALA 127 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2vly h ALA 127 CO 0.01 0.10 0.47 0.37 0.00 0.00 0.00 179.25 180.20 2vly h GLN 128 N 0.44 1.01 -0.36 0.00 4.15 -0.87 -0.58 115.11 118.90 2vly h GLN 128 Ca 0.12 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2vly h GLN 128 Cb 0.23 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 2vly h GLN 128 CO -0.01 0.70 0.18 0.78 -1.93 0.00 0.00 178.83 178.56 2vly h GLY 129 N 1.03 0.49 0.75 2.39 0.00 -1.06 -0.21 103.07 106.45 2vly h GLY 129 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2vly h GLY 129 CO -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 176.54 176.59 2vly h ALA 130 N 1.19 0.13 -0.77 3.60 0.00 -0.97 -1.26 119.26 121.18 2vly h ALA 130 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2vly h ALA 130 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2vly h ALA 130 CO -0.10 -0.18 0.49 1.98 0.00 0.00 0.00 179.25 181.44 2vly h MET 131 N -0.10 1.02 -0.31 0.00 1.85 -1.05 -1.04 114.93 115.30 2vly h MET 131 Ca 0.03 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.07 2vly h MET 131 Cb 0.35 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 2vly h MET 131 CO 0.01 0.70 0.13 1.15 -0.40 0.00 0.00 176.91 178.49 2vly h THR 132 N 1.04 0.94 -0.67 -0.77 2.02 -0.94 -0.63 112.91 113.90 2vly h THR 132 Ca 0.28 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.45 2vly h THR 132 Cb -0.09 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 2vly h THR 132 CO -0.06 0.05 0.33 0.11 0.37 0.00 0.00 175.52 176.33 2vly h LYS 133 N 0.27 0.57 -0.52 6.66 1.57 -0.73 -0.97 116.57 123.42 2vly h LYS 133 Ca 0.14 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2vly h LYS 133 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2vly h LYS 133 CO -0.12 0.37 0.19 0.00 -0.57 0.00 0.00 179.45 179.32 2vly h ALA 134 N 1.40 0.68 -0.18 3.86 0.00 -0.71 -1.04 119.26 123.28 2vly h ALA 134 Ca 0.33 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2vly h ALA 134 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2vly h ALA 134 CO -0.25 0.31 -0.32 -0.07 0.00 0.00 0.00 179.25 178.91 2vly h LEU 135 N 0.71 0.36 -0.41 0.00 3.38 -0.84 -1.84 115.31 116.66 2vly h LEU 135 Ca 0.17 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2vly h LEU 135 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2vly h LEU 135 CO -0.01 0.67 -0.09 -0.33 0.09 0.00 0.00 178.44 178.77 2vly h GLU 136 N 0.31 0.79 -0.52 1.13 5.08 -0.98 -0.35 114.58 120.03 2vly h GLU 136 Ca 0.04 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2vly h GLU 136 Cb 0.72 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2vly h GLU 136 CO 0.06 0.91 0.33 1.25 -1.00 0.00 0.00 179.01 180.56 2vly h LEU 137 N 0.61 0.56 0.19 1.33 5.85 -1.02 0.34 115.31 123.16 2vly h LEU 137 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2vly h LEU 137 Cb 0.61 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2vly h LEU 137 CO 0.04 0.40 -0.09 0.15 -0.34 0.00 0.00 178.44 178.59 2vly h PHE 138 N 0.67 -0.24 -0.76 1.25 3.57 -1.23 -1.23 116.94 118.97 2vly h PHE 138 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2vly h PHE 138 Cb -0.04 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2vly h PHE 138 CO -0.05 -0.15 0.49 -0.09 -2.23 0.00 0.00 178.31 176.29 2vly h ARG 139 N -0.26 0.95 -0.27 1.11 2.43 -0.78 -1.89 114.38 115.67 2vly h ARG 139 Ca -0.02 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 2vly h ARG 139 Cb 0.20 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2vly h ARG 139 CO 0.04 0.63 -0.32 -0.97 -1.51 0.00 0.00 179.97 177.84 2vly h ASN 140 N 0.98 0.60 -0.06 -3.80 -0.73 -0.10 0.11 115.58 112.58 2vly h ASN 140 Ca 0.30 -0.23 -0.21 0.00 1.87 0.00 0.00 56.30 58.03 2vly h ASN 140 Cb -0.03 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.40 2vly h ASN 140 CO -0.09 0.88 -0.72 0.44 -0.37 0.00 0.00 177.43 177.56 2vly h ASP 141 N 0.49 0.82 -0.47 1.15 3.32 -1.05 -1.94 116.42 118.74 2vly h ASP 141 Ca 0.06 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2vly h ASP 141 Cb 0.79 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2vly h ASP 141 CO 0.06 1.30 0.26 0.40 -1.72 0.00 0.00 179.24 179.54 2vly h ILE 142 N 0.49 1.17 -0.97 0.35 2.04 -1.10 -2.90 117.51 116.59 2vly h ILE 142 Ca -0.03 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.48 2vly h ILE 142 Cb 1.33 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 2vly h ILE 142 CO 0.14 0.18 0.63 0.00 0.00 0.00 0.00 178.15 179.10 2vly h ALA 143 N 1.10 1.48 -0.47 1.87 0.00 -0.61 0.27 119.26 122.91 2vly h ALA 143 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2vly h ALA 143 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2vly h ALA 143 CO -0.03 0.34 0.27 0.00 0.00 0.00 0.00 179.25 179.84 2vly h ALA 144 N 1.50 0.59 -0.65 0.00 0.00 -1.16 0.04 119.26 119.58 2vly h ALA 144 Ca 0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 2vly h ALA 144 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2vly h ALA 144 CO -0.19 -0.05 0.20 0.87 0.00 0.00 0.00 179.25 180.08 2vly h LYS 145 N 0.54 1.00 -0.60 0.00 1.79 -1.12 -1.67 116.57 116.51 2vly h LYS 145 Ca 0.19 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2vly h LYS 145 Cb 0.03 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 2vly h LYS 145 CO -0.10 0.86 0.37 1.88 -1.08 0.00 0.00 179.45 181.38 2vly h TYR 146 N 0.97 0.78 -0.48 -1.35 -1.99 -0.56 -2.25 116.97 112.09 2vly h TYR 146 Ca 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 2vly h TYR 146 Cb 0.28 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 2vly h TYR 146 CO 0.02 0.53 0.26 -0.22 -0.00 0.00 0.00 178.16 178.75 2vly h LYS 147 N 0.81 0.67 -0.65 4.88 3.64 -0.73 0.31 116.57 125.49 2vly h LYS 147 Ca 0.22 -0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 2vly h LYS 147 Cb -0.03 -0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.54 2vly h LYS 147 CO -0.04 0.53 -0.02 1.49 -2.27 0.00 0.00 179.45 179.13 2vly h GLU 148 N 0.64 0.09 -0.00 1.90 4.81 -1.07 -1.21 114.58 119.73 2vly h GLU 148 Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2vly h GLU 148 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2vly h GLU 148 CO -0.03 0.06 -0.08 1.28 -0.73 0.00 0.00 179.01 179.51 2vly n LEU 149 N -5.32 0.19 -1.14 1.64 4.77 -0.87 -4.92 117.00 111.36 2vly n LEU 149 Ca 0.10 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 2vly n LEU 149 Cb 0.38 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2vly n LEU 149 CO 0.08 0.04 -0.13 0.61 -1.33 0.00 0.00 177.39 176.66 2vly n GLY 150 N 1.36 0.33 3.75 -0.72 0.00 -0.40 -4.98 105.19 104.54 2vly n GLY 150 Ca 0.11 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2vly n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vly s PHE 151 N -2.51 3.64 0.00 1.61 5.36 -0.04 -4.92 117.98 121.11 2vly s PHE 151 Ca 0.00 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 2vly s PHE 151 Cb 0.00 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 2vly s PHE 151 CO 0.00 0.30 0.00 1.04 -1.46 0.00 0.00 175.22 175.10 2vly n GLN 152 N 3.00 0.00 0.00 10.12 1.13 -1.26 -4.60 117.38 125.77 2vly n GLN 152 Ca -0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 2vly n GLN 152 Cb 0.51 -0.81 0.00 0.00 0.11 0.00 0.00 30.24 30.06 2vly n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03