#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywa s SER 3 N 0.00 6.47 0.09 0.00 0.15 -1.26 -4.93 113.70 114.21 2ywa s SER 3 Ca 0.00 0.44 -0.26 0.00 0.70 0.00 0.00 55.95 56.83 2ywa s SER 3 Cb 0.00 -2.31 -0.15 0.00 -1.71 0.00 0.00 66.02 61.85 2ywa s SER 3 CO 0.00 -0.41 1.70 0.25 1.20 0.00 0.00 173.24 175.98 2ywa h LEU 4 N 9.01 -0.26 -0.72 3.45 5.85 -1.98 -2.49 115.31 128.17 2ywa h LEU 4 Ca -0.27 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.61 2ywa h LEU 4 Cb 1.13 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 2ywa h LEU 4 CO 0.77 -0.18 -0.09 0.00 -0.34 0.00 0.00 178.44 178.61 2ywa h ALA 5 N 0.53 0.61 -0.65 1.25 0.00 -1.98 0.21 119.26 119.24 2ywa h ALA 5 Ca -0.02 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2ywa h ALA 5 Cb 0.23 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2ywa h ALA 5 CO 0.03 -0.42 0.37 -0.09 0.00 0.00 0.00 179.25 179.14 2ywa h ARG 6 N 0.05 0.69 -0.81 0.00 9.65 -1.88 -1.14 114.38 120.94 2ywa h ARG 6 Ca 0.37 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.18 2ywa h ARG 6 Cb 0.61 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 2ywa h ARG 6 CO -0.69 0.46 0.38 0.00 2.80 0.00 0.00 179.97 182.92 2ywa h ALA 7 N 1.31 1.04 -1.00 2.80 0.00 -0.27 0.32 119.26 123.48 2ywa h ALA 7 Ca 0.28 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2ywa h ALA 7 Cb 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2ywa h ALA 7 CO -0.15 0.61 0.65 0.28 0.00 0.00 0.00 179.25 180.64 2ywa h VAL 8 N 1.15 1.14 -0.11 0.00 2.07 -0.16 -0.12 116.25 120.23 2ywa h VAL 8 Ca 0.28 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2ywa h VAL 8 Cb 0.12 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2ywa h VAL 8 CO -0.03 0.22 0.06 -0.08 0.02 0.00 0.00 177.57 177.76 2ywa h GLU 9 N 1.23 0.15 -0.96 1.57 4.81 -0.06 0.13 114.58 121.45 2ywa h GLU 9 Ca 0.41 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.69 2ywa h GLU 9 Cb 0.06 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 2ywa h GLU 9 CO -0.14 0.19 0.62 0.00 -0.73 0.00 0.00 179.01 178.95 2ywa h ARG 10 N 0.08 1.05 -0.01 1.92 3.08 -0.16 0.22 114.38 120.57 2ywa h ARG 10 Ca 0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2ywa h ARG 10 Cb 0.08 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2ywa h ARG 10 CO -0.01 0.70 -0.03 1.25 -1.07 0.00 0.00 179.97 180.81 2ywa h LEU 11 N 1.09 0.04 -0.82 3.04 5.85 -0.70 -2.88 115.31 120.93 2ywa h LEU 11 Ca 0.42 -0.64 0.17 0.00 0.84 0.00 0.00 57.88 58.67 2ywa h LEU 11 Cb 0.22 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2ywa h LEU 11 CO -0.17 0.68 0.34 0.50 -0.34 0.00 0.00 178.44 179.45 2ywa h LYS 12 N -0.59 0.43 -0.89 1.25 3.64 -0.37 0.24 116.57 120.28 2ywa h LYS 12 Ca -0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2ywa h LYS 12 Cb 0.67 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2ywa h LYS 12 CO 0.01 0.29 0.59 0.00 -2.27 0.00 0.00 179.45 178.06 2ywa h ALA 13 N 1.61 1.40 0.00 5.00 0.00 -0.52 -1.40 119.26 125.35 2ywa h ALA 13 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2ywa h ALA 13 Cb 0.78 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ywa h ALA 13 CO -0.45 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2ywa h ALA 14 N 1.46 1.00 0.00 0.00 0.00 -0.75 -3.08 119.26 117.89 2ywa h ALA 14 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ywa h ALA 14 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2ywa h ALA 14 CO -0.09 0.00 -1.26 1.28 0.00 0.00 0.00 179.25 179.19 2ywa n LEU 15 N -2.33 0.58 -0.02 0.00 4.77 -0.60 -4.06 117.00 115.35 2ywa n LEU 15 Ca 0.04 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2ywa n LEU 15 Cb 0.36 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2ywa n LEU 15 CO 0.26 -0.10 0.42 -0.33 -1.33 0.00 0.00 177.39 176.32 2ywa h GLU 16 N 0.00 0.69 -7.26 3.23 4.39 -1.28 -3.46 114.58 110.90 2ywa h GLU 16 Ca 0.00 -0.46 -0.52 0.00 0.34 0.00 0.00 59.36 58.72 2ywa h GLU 16 Cb 0.95 0.07 0.15 0.00 -0.10 0.00 0.00 28.75 29.81 2ywa h GLU 16 CO 0.00 1.08 0.32 1.03 -1.16 0.00 0.00 179.01 180.28 2ywa s ARG 17 N -3.97 2.05 0.29 2.33 0.52 -1.23 -4.98 118.95 113.97 2ywa s ARG 17 Ca -0.09 1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 56.23 2ywa s ARG 17 Cb 0.10 -1.86 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 2ywa s ARG 17 CO 0.87 -1.83 1.33 -2.14 0.02 0.00 0.00 175.30 173.54 2ywa s PRO 18 N -4.51 4.35 0.29 3.54 0.02 -1.26 -4.93 135.00 132.50 2ywa s PRO 18 Ca 0.66 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 2ywa s PRO 18 Cb -0.21 -3.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.08 2ywa s PRO 18 CO 0.52 -0.23 1.39 1.17 -0.33 0.00 0.00 177.00 179.51 2ywa n LYS 19 N 1.41 2.19 -3.63 5.54 4.81 -1.26 -4.85 118.16 122.36 2ywa n LYS 19 Ca 0.02 0.77 -0.13 0.00 -0.87 0.00 0.00 58.31 58.11 2ywa n LYS 19 Cb 0.42 -2.42 -0.07 0.00 0.02 0.00 0.00 35.03 32.98 2ywa n LYS 19 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2ywa s ASP 20 N 0.06 -0.73 0.41 3.14 2.15 -1.26 -4.99 116.67 115.45 2ywa s ASP 20 Ca 0.62 1.38 0.32 0.00 0.43 0.00 0.00 52.55 55.30 2ywa s ASP 20 Cb -0.59 1.39 1.35 0.00 -0.30 0.00 0.00 42.92 44.77 2ywa s ASP 20 CO 0.55 -0.24 1.35 -1.84 -0.17 0.00 0.00 175.17 174.83 2ywa n GLU 21 N 2.80 -0.02 0.05 4.34 0.28 -1.26 0.19 120.64 127.03 2ywa n GLU 21 Ca -0.14 1.05 -0.23 0.00 -0.16 0.00 0.00 57.16 57.68 2ywa n GLU 21 Cb 0.56 -2.15 -0.15 0.00 1.43 0.00 0.00 31.44 31.13 2ywa n GLU 21 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2ywa h PHE 22 N 0.00 0.64 -0.29 -1.84 0.04 -1.97 -3.15 116.94 110.37 2ywa h PHE 22 Ca 0.78 -0.47 -0.04 0.00 2.80 0.00 0.00 57.97 61.04 2ywa h PHE 22 Cb 2.68 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 40.79 2ywa h PHE 22 CO -0.00 1.67 0.01 0.82 -0.60 0.00 0.00 178.31 180.21 2ywa h ILE 23 N 0.02 1.17 0.77 -0.55 1.08 -0.58 -2.30 117.51 117.12 2ywa h ILE 23 Ca -0.35 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.44 2ywa h ILE 23 Cb 2.03 0.94 0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2ywa h ILE 23 CO 0.15 0.22 -0.37 -0.09 -0.69 0.00 0.00 178.15 177.37 2ywa h ARG 24 N 0.42 -1.00 -0.32 2.37 2.43 -1.06 -1.64 114.38 115.58 2ywa h ARG 24 Ca 0.10 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2ywa h ARG 24 Cb 0.26 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2ywa h ARG 24 CO 0.01 -0.67 0.37 -0.44 -1.51 0.00 0.00 179.97 177.73 2ywa h ASP 25 N -1.26 0.00 0.81 -3.80 3.32 -1.48 0.50 116.42 114.50 2ywa h ASP 25 Ca -0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 2ywa h ASP 25 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2ywa h ASP 25 CO 0.17 0.00 -1.27 0.77 -1.72 0.00 0.00 179.24 177.19 2ywa h SER 26 N 0.00 0.00 -0.37 6.45 4.64 -1.34 -2.49 113.55 120.44 2ywa h SER 26 Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 2ywa h SER 26 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2ywa h SER 26 CO -0.00 0.41 -0.13 0.00 -0.87 0.00 0.00 176.83 176.24 2ywa h ALA 27 N 1.59 0.51 0.32 5.18 0.00 0.06 -0.84 119.26 126.08 2ywa h ALA 27 Ca -0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2ywa h ALA 27 Cb 1.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ywa h ALA 27 CO 0.03 0.40 -0.20 0.82 0.00 0.00 0.00 179.25 180.31 2ywa h ILE 28 N 0.53 0.58 -1.00 0.00 2.04 -1.35 -1.88 117.51 116.44 2ywa h ILE 28 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2ywa h ILE 28 Cb 0.65 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 2ywa h ILE 28 CO 0.04 0.00 0.63 -0.61 0.00 0.00 0.00 178.15 178.21 2ywa h GLN 29 N -0.50 0.91 0.00 2.37 -0.00 -1.29 -1.04 115.11 115.56 2ywa h GLN 29 Ca -0.03 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.46 2ywa h GLN 29 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 2ywa h GLN 29 CO 0.03 0.60 -0.49 0.00 0.00 0.00 0.00 178.83 178.97 2ywa h ARG 30 N 0.94 0.00 -0.28 1.69 3.08 -0.91 -2.99 114.38 115.91 2ywa h ARG 30 Ca 0.51 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.37 2ywa h ARG 30 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2ywa h ARG 30 CO -0.28 0.49 -0.57 0.35 -1.07 0.00 0.00 179.97 178.89 2ywa h PHE 31 N 0.00 1.10 0.10 3.04 3.04 -0.38 -1.40 116.94 122.44 2ywa h PHE 31 Ca -0.00 -0.40 0.02 0.00 3.98 0.00 0.00 57.97 61.56 2ywa h PHE 31 Cb 1.08 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 39.33 2ywa h PHE 31 CO 0.00 1.24 -0.52 1.49 -2.02 0.00 0.00 178.31 178.50 2ywa h GLU 32 N 0.66 -0.71 0.00 1.11 4.81 -1.22 -1.46 114.58 117.78 2ywa h GLU 32 Ca 0.01 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2ywa h GLU 32 Cb 1.18 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 2ywa h GLU 32 CO 0.13 -0.47 -0.06 0.27 -0.73 0.00 0.00 179.01 178.14 2ywa h PHE 33 N -0.73 0.00 -0.05 0.92 -0.00 -1.56 -2.75 116.94 112.77 2ywa h PHE 33 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 2ywa h PHE 33 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.70 2ywa h PHE 33 CO -0.45 0.06 -0.14 1.15 -0.00 0.00 0.00 178.31 178.94 2ywa h THR 34 N 0.00 1.44 -0.71 0.88 2.02 -0.87 -2.87 112.91 112.81 2ywa h THR 34 Ca -0.00 -1.52 0.06 0.00 0.77 0.00 0.00 66.41 65.72 2ywa h THR 34 Cb 0.73 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 69.42 2ywa h THR 34 CO 0.01 0.42 0.47 0.15 0.37 0.00 0.00 175.52 176.93 2ywa h PHE 35 N -0.35 0.77 -0.19 3.16 3.57 -1.27 -0.03 116.94 122.60 2ywa h PHE 35 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2ywa h PHE 35 Cb 0.75 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2ywa h PHE 35 CO 0.13 0.42 -0.03 1.49 -2.23 0.00 0.00 178.31 178.09 2ywa h GLU 36 N 0.77 0.28 0.00 1.11 4.57 -1.42 -1.61 114.58 118.28 2ywa h GLU 36 Ca 0.30 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2ywa h GLU 36 Cb 0.20 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2ywa h GLU 36 CO -0.10 0.33 -0.68 1.25 -1.18 0.00 0.00 179.01 178.64 2ywa h LEU 37 N 0.27 0.00 0.01 1.64 5.85 -0.84 -3.23 115.31 119.01 2ywa h LEU 37 Ca 0.06 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2ywa h LEU 37 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2ywa h LEU 37 CO 0.01 0.10 -0.07 0.00 -0.34 0.00 0.00 178.44 178.13 2ywa h ALA 38 N 2.44 -0.00 -0.05 1.25 0.00 -0.20 -2.99 119.26 119.70 2ywa h ALA 38 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2ywa h ALA 38 Cb 0.78 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2ywa h ALA 38 CO 0.00 -0.01 -0.67 0.11 0.00 0.00 0.00 179.25 178.68 2ywa h TRP 39 N -0.85 0.31 0.00 0.00 5.08 -1.61 0.31 115.95 119.19 2ywa h TRP 39 Ca -0.01 -0.13 -0.01 0.00 1.08 0.00 0.00 58.89 59.82 2ywa h TRP 39 Cb 0.97 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 27.08 2ywa h TRP 39 CO 0.24 0.83 -0.03 -0.22 -1.28 0.00 0.00 178.44 177.98 2ywa h LYS 40 N 0.16 0.00 0.07 0.12 1.63 -1.66 0.25 116.57 117.14 2ywa h LYS 40 Ca -0.02 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.41 2ywa h LYS 40 Cb 1.21 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 2ywa h LYS 40 CO 0.10 0.03 -2.18 0.25 -3.45 0.00 0.00 179.45 174.21 2ywa n THR 41 N -3.26 1.65 -0.15 1.00 -2.24 -0.98 -3.23 114.28 107.08 2ywa n THR 41 Ca -0.02 -0.59 0.24 0.00 -2.27 0.00 0.00 64.05 61.41 2ywa n THR 41 Cb 0.18 -1.63 0.66 0.00 -2.10 0.00 0.00 70.33 67.44 2ywa n THR 41 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ywa h LEU 42 N -0.02 0.11 0.45 3.22 3.38 -0.40 -0.61 115.31 121.45 2ywa h LEU 42 Ca -0.49 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2ywa h LEU 42 Cb 1.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2ywa h LEU 42 CO -0.01 0.05 -0.22 0.50 0.09 0.00 0.00 178.44 178.86 2ywa h LYS 43 N 0.11 -0.58 -0.77 1.13 3.64 -0.63 -2.55 116.57 116.93 2ywa h LYS 43 Ca 0.39 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.97 2ywa h LYS 43 Cb 1.38 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 33.19 2ywa h LYS 43 CO -0.05 -0.39 -0.13 1.15 -2.27 0.00 0.00 179.45 177.77 2ywa h THR 44 N -0.91 0.26 -0.96 1.00 2.02 -1.23 0.35 112.91 113.43 2ywa h THR 44 Ca -0.06 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.19 2ywa h THR 44 Cb 0.46 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 2ywa h THR 44 CO 0.10 0.01 0.61 0.15 0.37 0.00 0.00 175.52 176.75 2ywa h PHE 45 N 0.03 1.11 -0.04 3.16 3.57 -1.21 -2.22 116.94 121.34 2ywa h PHE 45 Ca 0.39 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.75 2ywa h PHE 45 Cb 0.63 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2ywa h PHE 45 CO -0.55 0.53 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.29 2ywa h LEU 46 N 1.05 0.27 0.00 0.59 4.07 0.03 -2.83 115.31 118.49 2ywa h LEU 46 Ca 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2ywa h LEU 46 Cb 0.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2ywa h LEU 46 CO -0.21 0.88 0.00 -0.62 -1.08 0.00 0.00 178.44 177.41 2ywa n GLU 47 N -3.80 0.72 0.03 1.13 1.02 -0.01 -2.06 120.64 117.67 2ywa n GLU 47 Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2ywa n GLU 47 Cb 0.68 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.71 2ywa n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ywa n LEU 48 N -0.80 0.49 -1.04 -4.62 4.77 -1.07 -3.78 117.00 110.95 2ywa n LEU 48 Ca 0.10 0.20 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 2ywa n LEU 48 Cb 0.05 0.05 0.26 0.00 -2.33 0.00 0.00 43.42 41.45 2ywa n LEU 48 CO 0.08 0.03 0.72 0.00 -1.33 0.00 0.00 177.39 176.89 2ywa n GLN 49 N -2.60 2.32 -1.09 3.23 3.00 -0.87 -4.89 117.38 116.48 2ywa n GLN 49 Ca -0.07 -2.04 -0.03 0.00 -0.01 0.00 0.00 57.00 54.85 2ywa n GLN 49 Cb 0.69 -1.46 -0.01 0.00 0.00 0.00 0.00 30.24 29.46 2ywa n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ywa n GLY 50 N 1.42 0.61 3.97 1.08 0.00 -1.23 -5.03 105.19 106.01 2ywa n GLY 50 Ca 0.19 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 2ywa n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ywa s LEU 51 N -0.67 3.03 0.05 0.99 2.01 -0.89 -5.02 118.68 118.17 2ywa s LEU 51 Ca 0.00 0.00 0.05 0.00 0.01 0.00 0.00 54.13 54.19 2ywa s LEU 51 Cb 0.00 -2.60 -0.02 0.00 0.01 0.00 0.00 46.19 43.58 2ywa s LEU 51 CO 0.00 -1.59 -0.15 -1.61 1.01 0.00 0.00 176.35 174.01 2ywa s GLU 52 N -5.07 0.96 -0.38 1.70 2.02 -1.26 -4.18 118.70 112.48 2ywa s GLU 52 Ca 0.62 -0.84 0.07 0.00 0.02 0.00 0.00 54.97 54.85 2ywa s GLU 52 Cb -0.08 -0.99 0.18 0.00 0.10 0.00 0.00 34.13 33.33 2ywa s GLU 52 CO 0.43 0.24 0.61 0.00 0.02 0.00 0.00 175.26 176.56 2ywa s ALA 53 N -0.95 -2.30 -2.32 5.21 0.00 -1.26 -4.88 121.76 115.27 2ywa s ALA 53 Ca 0.02 0.34 0.29 0.00 0.00 0.00 0.00 51.96 52.61 2ywa s ALA 53 Cb -0.08 -2.67 1.31 0.00 0.00 0.00 0.00 23.12 21.68 2ywa s ALA 53 CO 0.02 -2.14 1.89 0.54 0.00 0.00 0.00 175.76 176.07 2ywa n ARG 54 N 4.62 1.44 -3.84 0.00 3.00 -1.26 -4.76 116.66 115.85 2ywa n ARG 54 Ca 0.10 -0.66 -0.09 0.00 -0.01 0.00 0.00 57.85 57.19 2ywa n ARG 54 Cb 0.56 -1.49 -0.07 0.00 0.00 0.00 0.00 32.46 31.46 2ywa n ARG 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2ywa s SER 55 N -2.02 0.08 0.23 0.55 1.04 -1.26 -5.02 113.70 107.30 2ywa s SER 55 Ca 0.41 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 56.22 2ywa s SER 55 Cb 0.21 0.33 0.38 0.00 0.10 0.00 0.00 66.02 67.05 2ywa s SER 55 CO 0.35 -0.68 1.70 -0.65 0.98 0.00 0.00 173.24 174.94 2ywa h PRO 56 N 2.94 0.29 -0.31 4.02 0.11 -1.95 0.14 132.00 137.24 2ywa h PRO 56 Ca -0.33 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 2ywa h PRO 56 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2ywa h PRO 56 CO 0.53 0.19 -0.20 -0.09 -0.21 0.00 0.00 178.00 178.22 2ywa h ARG 57 N 0.30 0.58 -0.52 1.05 2.43 -1.99 -1.69 114.38 114.54 2ywa h ARG 57 Ca 0.37 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2ywa h ARG 57 Cb 0.58 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2ywa h ARG 57 CO -0.44 0.75 0.00 0.00 -1.51 0.00 0.00 179.97 178.77 2ywa h ALA 58 N 1.26 0.70 -0.33 2.80 0.00 -1.49 0.02 119.26 122.22 2ywa h ALA 58 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ywa h ALA 58 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2ywa h ALA 58 CO 0.05 0.51 0.21 0.00 0.00 0.00 0.00 179.25 180.02 2ywa h ALA 59 N 0.94 0.42 0.65 0.00 0.00 -0.41 1.58 119.26 122.44 2ywa h ALA 59 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ywa h ALA 59 Cb 0.52 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ywa h ALA 59 CO 0.03 -0.11 -0.31 0.82 0.00 0.00 0.00 179.25 179.68 2ywa h ILE 60 N 0.44 0.16 -0.70 0.00 2.04 -1.22 0.30 117.51 118.54 2ywa h ILE 60 Ca 0.12 -0.31 0.14 0.00 1.00 0.00 0.00 64.86 65.81 2ywa h ILE 60 Cb -0.03 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2ywa h ILE 60 CO -0.03 0.02 0.47 -0.09 0.00 0.00 0.00 178.15 178.53 2ywa h ARG 61 N -1.14 0.35 0.22 2.37 2.43 -0.91 -1.18 114.38 116.53 2ywa h ARG 61 Ca -0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2ywa h ARG 61 Cb 0.71 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2ywa h ARG 61 CO 0.15 0.23 -0.11 0.78 -1.51 0.00 0.00 179.97 179.51 2ywa h GLY 62 N 0.36 -0.31 1.79 2.80 0.00 0.26 -3.17 103.07 104.80 2ywa h GLY 62 Ca 0.34 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.80 2ywa h GLY 62 CO -0.10 -0.11 0.09 0.00 0.00 0.00 0.00 176.54 176.42 2ywa h ALA 63 N -0.07 1.57 -0.05 3.60 0.00 0.69 -0.62 119.26 124.38 2ywa h ALA 63 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2ywa h ALA 63 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ywa h ALA 63 CO 0.05 -0.12 -0.49 0.74 0.00 0.00 0.00 179.25 179.43 2ywa h PHE 64 N 0.00 0.15 0.26 0.00 0.04 -1.23 -2.38 116.94 113.77 2ywa h PHE 64 Ca 0.03 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2ywa h PHE 64 Cb 0.20 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2ywa h PHE 64 CO 0.00 0.59 -0.12 1.96 -0.60 0.00 0.00 178.31 180.14 2ywa h GLN 65 N 0.10 -0.33 0.00 1.51 4.20 -1.14 -3.18 115.11 116.27 2ywa h GLN 65 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ywa h GLN 65 Cb 0.91 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2ywa h GLN 65 CO 0.07 -0.05 0.00 0.28 -0.67 0.00 0.00 178.83 178.46 2ywa n VAL 66 N -5.00 0.32 -0.76 -0.54 0.31 -1.06 -4.78 118.33 106.82 2ywa n VAL 66 Ca -0.07 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2ywa n VAL 66 Cb 0.22 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2ywa n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ywa n GLY 67 N -1.07 1.43 0.42 2.92 0.00 -1.14 -4.94 105.19 102.81 2ywa n GLY 67 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2ywa n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ywa h LEU 68 N 0.00 -1.36 -9.26 0.99 5.85 -1.70 -3.42 115.31 106.41 2ywa h LEU 68 Ca 0.00 0.16 -0.67 0.00 0.84 0.00 0.00 57.88 58.22 2ywa h LEU 68 Cb 0.00 0.53 -0.16 0.00 0.37 0.00 0.00 40.66 41.40 2ywa h LEU 68 CO 0.00 -0.47 -0.72 -0.76 -0.34 0.00 0.00 178.44 176.15 2ywa s LEU 69 N -10.32 3.12 0.48 2.25 1.43 -1.20 -4.93 118.68 109.51 2ywa s LEU 69 Ca -0.16 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.45 2ywa s LEU 69 Cb 0.08 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2ywa s LEU 69 CO 0.63 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 176.32 2ywa s PRO 70 N -1.93 3.81 -0.35 1.29 0.04 -1.26 -4.42 135.00 132.18 2ywa s PRO 70 Ca 0.20 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 2ywa s PRO 70 Cb -0.11 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2ywa s PRO 70 CO 0.12 -0.44 2.05 -1.21 0.04 0.00 0.00 177.00 177.56 2ywa s GLU 71 N -3.10 2.99 -0.17 4.56 2.02 -1.26 -4.93 118.70 118.80 2ywa s GLU 71 Ca 0.66 1.54 0.00 0.00 0.02 0.00 0.00 54.97 57.20 2ywa s GLU 71 Cb -0.19 -4.34 0.04 0.00 0.10 0.00 0.00 34.13 29.74 2ywa s GLU 71 CO 0.22 -2.27 -0.09 0.34 0.02 0.00 0.00 175.26 173.49 2ywa s ASP 72 N 8.06 2.96 0.55 -0.19 -1.08 -1.26 -5.01 116.67 120.70 2ywa s ASP 72 Ca 0.88 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 52.48 2ywa s ASP 72 Cb -0.24 -1.06 1.46 0.00 -1.46 0.00 0.00 42.92 41.62 2ywa s ASP 72 CO 0.31 -0.15 2.03 1.55 0.52 0.00 0.00 175.17 179.44 2ywa h PRO 73 N 8.06 0.00 -0.92 4.34 0.13 -2.03 -2.54 132.00 139.04 2ywa h PRO 73 Ca -0.28 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2ywa h PRO 73 Cb 1.11 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.17 2ywa h PRO 73 CO 0.45 0.00 0.59 0.35 -0.23 0.00 0.00 178.00 179.16 2ywa h PHE 74 N 0.00 0.95 -0.86 1.56 3.04 -2.00 -0.48 116.94 119.16 2ywa h PHE 74 Ca 0.18 0.03 0.23 0.00 3.98 0.00 0.00 57.97 62.39 2ywa h PHE 74 Cb 0.80 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 2ywa h PHE 74 CO 0.00 0.39 0.60 -1.49 -2.02 0.00 0.00 178.31 175.79 2ywa h TRP 75 N 0.83 0.15 0.00 0.41 4.06 -1.88 0.28 115.95 119.81 2ywa h TRP 75 Ca 0.45 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.26 2ywa h TRP 75 Cb 0.56 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 2ywa h TRP 75 CO -0.00 0.04 -0.75 -0.07 -3.56 0.00 0.00 178.44 174.09 2ywa h LEU 76 N 0.11 0.00 -2.79 -4.49 3.38 -1.29 -3.19 115.31 107.05 2ywa h LEU 76 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2ywa h LEU 76 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2ywa h LEU 76 CO -0.06 0.66 0.00 1.21 0.09 0.00 0.00 178.44 180.34 2ywa n GLU 77 N -3.23 0.82 0.00 1.13 2.13 0.98 -3.01 120.64 119.47 2ywa n GLU 77 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2ywa n GLU 77 Cb 0.81 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.43 2ywa n GLU 77 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2ywa n LEU 79 N 1.26 0.00 0.05 4.31 -0.00 -1.21 -1.87 117.00 119.53 2ywa n LEU 79 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 2ywa n LEU 79 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.74 2ywa n LEU 79 CO 0.00 0.00 -0.07 -0.08 -0.00 0.00 0.00 177.39 177.24 2ywa h GLU 80 N 0.00 0.00 0.06 1.47 4.81 -1.85 -3.22 114.58 115.84 2ywa h GLU 80 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2ywa h GLU 80 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ywa h GLU 80 CO 0.00 0.64 -1.36 -0.07 -0.73 0.00 0.00 179.01 177.49 2ywa h LEU 81 N 0.00 0.18 -2.02 1.64 3.38 -1.68 -3.27 115.31 113.54 2ywa h LEU 81 Ca -0.12 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2ywa h LEU 81 Cb 1.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2ywa h LEU 81 CO 0.09 1.20 0.10 -0.09 0.09 0.00 0.00 178.44 179.83 2ywa h ARG 82 N 0.03 0.00 0.00 1.13 1.12 -1.84 -0.75 114.38 114.07 2ywa h ARG 82 Ca -0.16 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.64 2ywa h ARG 82 Cb 1.93 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.88 2ywa h ARG 82 CO 0.14 0.00 -0.34 -0.91 -3.11 0.00 0.00 179.97 175.75 2ywa h ASN 83 N 0.00 0.00 1.22 -3.80 4.21 -1.60 -3.23 115.58 112.37 2ywa h ASN 83 Ca 0.06 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.43 2ywa h ASN 83 Cb 0.26 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 2ywa h ASN 83 CO -0.00 0.34 -0.80 -0.07 -1.29 0.00 0.00 177.43 175.61 2ywa h LEU 84 N 0.00 0.00 -0.55 1.61 4.07 -1.27 -3.38 115.31 115.78 2ywa h LEU 84 Ca -0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.09 2ywa h LEU 84 Cb 0.94 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.58 2ywa h LEU 84 CO 0.04 0.66 -0.04 0.35 -1.08 0.00 0.00 178.44 178.37 2ywa n THR 85 N -3.20 -0.23 1.62 0.22 -2.24 -1.15 0.25 114.28 109.55 2ywa n THR 85 Ca -0.01 1.24 0.11 0.00 -2.27 0.00 0.00 64.05 63.12 2ywa n THR 85 Cb 0.82 -1.78 0.64 0.00 -2.10 0.00 0.00 70.33 67.91 2ywa n THR 85 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ywa n ASN 86 N -4.76 0.00 -0.52 3.42 0.23 -1.26 -2.62 115.26 109.75 2ywa n ASN 86 Ca 0.12 -0.94 0.07 0.00 -0.53 0.00 0.00 54.58 53.30 2ywa n ASN 86 Cb 0.38 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.25 2ywa n ASN 86 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2ywa n HIS 87 N -0.92 0.49 1.26 -2.53 8.25 0.70 -4.67 115.22 117.80 2ywa n HIS 87 Ca 0.16 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 2ywa n HIS 87 Cb 0.07 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2ywa n HIS 87 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ywa n THR 88 N -0.56 0.00 0.28 1.59 -2.24 -1.08 -2.78 114.28 109.50 2ywa n THR 88 Ca 0.15 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.10 2ywa n THR 88 Cb 0.66 -0.20 0.81 0.00 -2.10 0.00 0.00 70.33 69.50 2ywa n THR 88 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2ywa h TYR 89 N 0.07 0.00 -2.86 4.78 -0.00 -1.87 -3.36 116.97 113.74 2ywa h TYR 89 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 58.73 58.09 2ywa h TYR 89 Cb 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 36.67 2ywa h TYR 89 CO 0.00 0.05 0.44 0.34 -0.00 0.00 0.00 178.16 178.99 2ywa s ASP 90 N -5.71 6.21 0.54 0.10 2.15 -1.12 -4.94 116.67 113.90 2ywa s ASP 90 Ca -0.01 -0.91 0.31 0.00 0.43 0.00 0.00 52.55 52.37 2ywa s ASP 90 Cb 0.11 -2.39 1.48 0.00 -0.30 0.00 0.00 42.92 41.81 2ywa s ASP 90 CO 0.53 -1.30 1.89 -0.33 -0.17 0.00 0.00 175.17 175.79 2ywa h GLU 91 N 9.41 0.01 -0.56 4.34 5.08 -1.90 -0.01 114.58 130.94 2ywa h GLU 91 Ca -0.28 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2ywa h GLU 91 Cb 1.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2ywa h GLU 91 CO 1.13 0.01 0.31 0.00 -1.00 0.00 0.00 179.01 179.45 2ywa h ALA 92 N 1.55 0.72 -0.22 3.43 0.00 -1.92 -2.11 119.26 120.71 2ywa h ALA 92 Ca 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2ywa h ALA 92 Cb 1.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2ywa h ALA 92 CO -0.01 0.24 0.05 1.25 0.00 0.00 0.00 179.25 180.78 2ywa h LEU 93 N 0.75 0.34 -0.73 0.00 5.85 -1.36 -1.55 115.31 118.61 2ywa h LEU 93 Ca 0.20 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2ywa h LEU 93 Cb 0.05 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 2ywa h LEU 93 CO -0.03 0.48 0.34 0.00 -0.34 0.00 0.00 178.44 178.89 2ywa h ALA 94 N 0.87 1.03 -0.24 1.25 0.00 -1.21 -0.23 119.26 120.72 2ywa h ALA 94 Ca 0.07 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2ywa h ALA 94 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ywa h ALA 94 CO 0.00 -0.11 -0.36 0.93 0.00 0.00 0.00 179.25 179.71 2ywa h GLU 95 N 0.54 0.53 -0.85 0.00 4.39 -1.24 -1.57 114.58 116.38 2ywa h GLU 95 Ca 0.38 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.85 2ywa h GLU 95 Cb 0.48 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2ywa h GLU 95 CO -0.33 0.82 0.56 -0.09 -1.16 0.00 0.00 179.01 178.81 2ywa h ARG 96 N 0.44 1.08 0.05 2.33 2.43 -0.03 -2.36 114.38 118.34 2ywa h ARG 96 Ca 0.05 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ywa h ARG 96 Cb 0.84 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2ywa h ARG 96 CO 0.07 0.71 -0.03 0.82 -1.51 0.00 0.00 179.97 180.04 2ywa h ILE 97 N 1.11 1.04 -1.04 1.20 2.04 -1.03 -3.30 117.51 117.53 2ywa h ILE 97 Ca 0.32 -1.58 0.28 0.00 1.00 0.00 0.00 64.86 64.88 2ywa h ILE 97 Cb -0.07 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 2ywa h ILE 97 CO -0.08 0.32 0.70 0.22 0.00 0.00 0.00 178.15 179.32 2ywa h TYR 98 N -0.93 0.40 0.00 1.37 5.03 -1.26 0.51 116.97 122.09 2ywa h TYR 98 Ca -0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2ywa h TYR 98 Cb 0.59 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.75 2ywa h TYR 98 CO 0.14 0.05 0.00 0.00 -1.32 0.00 0.00 178.16 177.03 2ywa n ALA 99 N -2.58 1.42 -0.05 1.82 0.00 -0.89 -2.98 120.51 117.24 2ywa n ALA 99 Ca 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 2ywa n ALA 99 Cb 0.96 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 2ywa n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ywa n GLU 100 N -2.01 1.32 -0.31 0.00 -0.58 0.18 -4.63 120.64 114.61 2ywa n GLU 100 Ca 0.01 -0.04 0.17 0.00 -0.42 0.00 0.00 57.16 56.88 2ywa n GLU 100 Cb 0.14 -1.37 0.35 0.00 -0.57 0.00 0.00 31.44 29.99 2ywa n GLU 100 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2ywa h LEU 101 N 0.00 0.05 -0.90 -4.62 3.38 -1.41 0.34 115.31 112.14 2ywa h LEU 101 Ca -0.29 0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2ywa h LEU 101 Cb 1.58 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.54 2ywa h LEU 101 CO 0.02 -0.22 0.56 -0.65 0.09 0.00 0.00 178.44 178.24 2ywa h PRO 102 N 0.17 0.94 -0.52 1.13 0.11 -1.82 0.50 132.00 132.51 2ywa h PRO 102 Ca 0.62 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.58 2ywa h PRO 102 Cb 1.35 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2ywa h PRO 102 CO -0.70 0.62 -0.05 -0.22 -0.21 0.00 0.00 178.00 177.45 2ywa h LYS 103 N 0.97 0.95 -0.20 1.05 3.64 -0.72 -2.80 116.57 119.46 2ywa h LYS 103 Ca 0.41 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2ywa h LYS 103 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2ywa h LYS 103 CO -0.21 0.99 -0.19 0.00 -2.27 0.00 0.00 179.45 177.77 2ywa h ALA 104 N 0.93 1.30 -0.60 5.00 0.00 0.63 -2.52 119.26 124.00 2ywa h ALA 104 Ca 0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2ywa h ALA 104 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ywa h ALA 104 CO 0.04 0.47 0.02 1.25 0.00 0.00 0.00 179.25 181.03 2ywa h LEU 105 N 0.32 0.99 -1.13 0.00 5.85 0.14 -2.60 115.31 118.89 2ywa h LEU 105 Ca 0.06 -0.26 0.16 0.00 0.84 0.00 0.00 57.88 58.67 2ywa h LEU 105 Cb 0.53 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 2ywa h LEU 105 CO 0.04 1.03 0.61 -0.08 -0.34 0.00 0.00 178.44 179.70 2ywa h GLU 106 N 0.94 0.75 0.00 1.25 4.81 -1.20 -0.67 114.58 120.46 2ywa h GLU 106 Ca 0.17 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2ywa h GLU 106 Cb 0.51 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ywa h GLU 106 CO 0.02 0.50 -0.65 0.00 -0.73 0.00 0.00 179.01 178.15 2ywa h ARG 107 N 0.77 0.00 0.02 1.92 3.08 -1.48 -2.22 114.38 116.47 2ywa h ARG 107 Ca 0.51 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.33 2ywa h ARG 107 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2ywa h ARG 107 CO -0.28 0.05 -0.99 0.74 -1.07 0.00 0.00 179.97 178.42 2ywa h PHE 108 N 0.00 0.60 0.00 3.04 0.05 -0.98 -0.41 116.94 119.25 2ywa h PHE 108 Ca -0.01 -0.34 -0.08 0.00 3.82 0.00 0.00 57.97 61.36 2ywa h PHE 108 Cb 1.07 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.94 2ywa h PHE 108 CO 0.00 1.18 -0.37 1.96 -0.18 0.00 0.00 178.31 180.89 2ywa h GLN 109 N 0.21 0.00 -0.01 1.51 4.20 -1.16 -1.81 115.11 118.04 2ywa h GLN 109 Ca -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2ywa h GLN 109 Cb 1.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.42 2ywa h GLN 109 CO 0.17 0.37 -0.03 1.49 -0.67 0.00 0.00 178.83 180.17 2ywa h GLU 110 N 0.00 0.04 -0.17 1.46 4.57 -1.07 -2.93 114.58 116.49 2ywa h GLU 110 Ca -0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2ywa h GLU 110 Cb 0.81 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2ywa h GLU 110 CO 0.05 0.61 -0.07 1.25 -1.18 0.00 0.00 179.01 179.67 2ywa h LEU 111 N -0.52 -0.23 -1.79 1.64 5.85 -0.90 -1.71 115.31 117.65 2ywa h LEU 111 Ca 0.00 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.00 2ywa h LEU 111 Cb 0.61 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2ywa h LEU 111 CO 0.01 -0.09 0.58 -0.07 -0.34 0.00 0.00 178.44 178.52 2ywa h LEU 112 N -0.04 0.17 0.14 2.25 3.38 -1.36 -0.33 115.31 119.52 2ywa h LEU 112 Ca 0.09 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 2ywa h LEU 112 Cb 0.17 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.92 2ywa h LEU 112 CO -0.19 0.07 -0.95 0.03 0.09 0.00 0.00 178.44 177.48 2ywa h ARG 113 N 0.18 0.29 -0.70 1.13 3.08 -1.20 -3.32 114.38 113.83 2ywa h ARG 113 Ca 0.41 -0.50 0.04 0.00 0.07 0.00 0.00 59.98 60.01 2ywa h ARG 113 Cb 1.35 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.54 2ywa h ARG 113 CO -0.08 1.24 0.46 0.00 -1.07 0.00 0.00 179.97 180.52 2ywa h ARG 114 N -0.35 0.79 0.00 0.04 2.47 -0.45 0.12 114.38 117.00 2ywa h ARG 114 Ca -0.18 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2ywa h ARG 114 Cb 1.68 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 2ywa h ARG 114 CO 0.13 0.53 0.00 1.28 0.56 0.00 0.00 179.97 182.47 2ywa n LEU 115 N -4.46 0.00 -0.47 3.04 4.32 -0.22 -5.10 117.00 114.11 2ywa n LEU 115 Ca 0.09 0.22 0.06 0.00 -0.02 0.00 0.00 56.01 56.36 2ywa n LEU 115 Cb 0.15 -0.22 0.05 0.00 -1.62 0.00 0.00 43.42 41.78 2ywa n LEU 115 CO 0.35 -0.22 0.44 -0.62 -1.22 0.00 0.00 177.39 176.11