#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avu h ILE 6 N 0.00 0.00 -0.96 2.46 1.08 -2.07 -0.91 117.51 117.12 2avu h ILE 6 Ca 0.00 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.77 2avu h ILE 6 Cb 0.00 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.60 2avu h ILE 6 CO 0.00 0.00 0.39 0.58 -0.69 0.00 0.00 178.15 178.43 2avu h VAL 7 N -0.67 0.23 -0.65 1.67 2.07 -2.06 0.93 116.25 117.78 2avu h VAL 7 Ca -0.05 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2avu h VAL 7 Cb 0.56 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2avu h VAL 7 CO -0.00 0.04 0.16 -0.61 0.02 0.00 0.00 177.57 177.18 2avu h GLN 8 N 0.20 1.01 -0.65 1.57 5.75 -1.89 -2.41 115.11 118.68 2avu h GLN 8 Ca 0.67 -0.22 0.15 0.00 -0.15 0.00 0.00 58.65 59.10 2avu h GLN 8 Cb 1.51 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.88 2avu h GLN 8 CO -0.68 0.89 0.45 0.93 -2.65 0.00 0.00 178.83 177.77 2avu h GLU 9 N 0.97 0.23 0.04 1.69 5.08 0.23 -1.24 114.58 121.57 2avu h GLU 9 Ca 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2avu h GLU 9 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2avu h GLU 9 CO -0.00 0.15 -0.02 0.00 -1.00 0.00 0.00 179.01 178.14 2avu h ALA 10 N 1.68 -0.05 -0.97 3.43 0.00 -1.23 -3.17 119.26 118.96 2avu h ALA 10 Ca 0.32 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 55.07 2avu h ALA 10 Cb 0.91 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2avu h ALA 10 CO -0.07 -0.12 0.61 0.00 0.00 0.00 0.00 179.25 179.67 2avu h ARG 11 N -0.87 0.65 -0.10 0.00 3.08 -1.06 0.23 114.38 116.33 2avu h ARG 11 Ca -0.01 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2avu h ARG 11 Cb 0.69 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2avu h ARG 11 CO 0.01 0.43 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.52 2avu h ASP 12 N 0.67 0.20 0.20 7.04 3.32 -1.33 -0.44 116.42 126.09 2avu h ASP 12 Ca 0.53 -0.08 -0.28 0.00 0.02 0.00 0.00 57.03 57.22 2avu h ASP 12 Cb 0.93 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.45 2avu h ASP 12 CO -0.29 0.57 -1.24 0.40 -1.72 0.00 0.00 179.24 176.97 2avu h ILE 13 N 0.17 1.34 0.15 0.35 2.04 -0.92 -3.01 117.51 117.63 2avu h ILE 13 Ca 0.02 -2.62 0.02 0.00 1.00 0.00 0.00 64.86 63.28 2avu h ILE 13 Cb 0.75 3.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 2avu h ILE 13 CO 0.06 0.77 -0.32 1.56 0.00 0.00 0.00 178.15 180.22 2avu h GLN 14 N -0.07 -0.54 -0.78 2.37 4.20 -0.50 0.20 115.11 119.99 2avu h GLN 14 Ca -0.22 0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.69 2avu h GLN 14 Cb 1.95 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 29.75 2avu h GLN 14 CO 0.22 -0.36 0.26 1.25 -0.67 0.00 0.00 178.83 179.53 2avu h LEU 15 N -0.56 0.17 -0.62 1.46 6.46 -1.18 0.65 115.31 121.69 2avu h LEU 15 Ca 0.02 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2avu h LEU 15 Cb 0.58 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 2avu h LEU 15 CO -0.17 0.02 0.30 0.00 -0.62 0.00 0.00 178.44 177.97 2avu h ALA 16 N 1.61 0.80 0.92 1.25 0.00 -1.20 -0.14 119.26 122.50 2avu h ALA 16 Ca 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2avu h ALA 16 Cb 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2avu h ALA 16 CO -0.48 0.36 -0.48 0.52 0.00 0.00 0.00 179.25 179.17 2avu h MET 17 N 0.85 -1.24 -0.65 0.00 2.86 0.32 0.63 114.93 117.70 2avu h MET 17 Ca 0.21 0.08 0.12 0.00 -2.06 0.00 0.00 59.70 58.06 2avu h MET 17 Cb 0.12 0.28 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 2avu h MET 17 CO -0.03 -0.83 0.18 1.49 1.06 0.00 0.00 176.91 178.79 2avu h GLU 18 N -1.29 0.31 0.03 1.72 4.81 -0.21 0.99 114.58 120.95 2avu h GLU 18 Ca -0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2avu h GLU 18 Cb 1.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2avu h GLU 18 CO 0.18 0.21 -0.02 1.25 -0.73 0.00 0.00 179.01 179.90 2avu h LEU 19 N 0.32 -0.04 -1.21 1.64 5.85 -0.73 -1.68 115.31 119.47 2avu h LEU 19 Ca 0.35 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2avu h LEU 19 Cb 0.52 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2avu h LEU 19 CO -0.40 0.05 0.08 0.40 -0.34 0.00 0.00 178.44 178.23 2avu h ILE 20 N -0.12 1.20 -0.77 4.05 2.04 0.93 -0.37 117.51 124.46 2avu h ILE 20 Ca -0.00 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 2avu h ILE 20 Cb 0.11 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2avu h ILE 20 CO 0.01 0.26 0.29 0.74 0.00 0.00 0.00 178.15 179.45 2avu h THR 21 N 0.61 1.26 0.00 -0.27 2.02 -0.49 0.05 112.91 116.09 2avu h THR 21 Ca 0.14 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2avu h THR 21 Cb 0.26 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2avu h THR 21 CO -0.00 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.41 2avu n LEU 22 N -4.29 0.00 -0.58 2.58 4.77 -0.66 -4.87 117.00 113.95 2avu n LEU 22 Ca 0.07 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2avu n LEU 22 Cb 0.20 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2avu n LEU 22 CO 0.41 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2avu n GLY 23 N 0.62 0.56 0.00 -0.72 0.00 0.00 -4.67 105.19 100.98 2avu n GLY 23 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2avu n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avu n ALA 24 N -0.83 0.00 0.00 4.61 0.00 -0.18 -4.58 120.51 119.54 2avu n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2avu n ALA 24 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2avu n ALA 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2avu n ARG 25 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.49 116.66 110.90 2avu n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2avu n ARG 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2avu n ARG 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2avu n LEU 26 N 0.00 0.00 0.13 6.15 7.94 -1.26 -4.38 117.00 125.58 2avu n LEU 26 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2avu n LEU 26 Cb 0.00 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.28 2avu n LEU 26 CO 0.00 0.00 0.77 1.56 -1.11 0.00 0.00 177.39 178.61 2avu h GLN 27 N 0.00 0.18 0.09 1.96 4.20 -1.95 0.70 115.11 120.30 2avu h GLN 27 Ca 0.00 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 2avu h GLN 27 Cb 0.00 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2avu h GLN 27 CO 0.00 0.45 -1.21 1.98 -0.67 0.00 0.00 178.83 179.38 2avu h MET 28 N 0.16 0.20 -0.45 1.46 4.05 -1.94 -3.03 114.93 115.39 2avu h MET 28 Ca 0.02 -0.34 0.08 0.00 -0.28 0.00 0.00 59.70 59.18 2avu h MET 28 Cb 0.58 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.44 2avu h MET 28 CO 0.04 1.16 0.04 -0.07 0.23 0.00 0.00 176.91 178.31 2avu h LEU 29 N -0.45 -0.11 -0.73 3.39 3.38 -1.77 0.43 115.31 119.45 2avu h LEU 29 Ca -0.27 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2avu h LEU 29 Cb 1.63 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2avu h LEU 29 CO 0.03 -0.02 -0.39 -0.33 0.09 0.00 0.00 178.44 177.82 2avu h GLU 30 N 0.15 0.51 0.00 1.13 5.08 0.26 0.34 114.58 122.05 2avu h GLU 30 Ca 0.22 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2avu h GLU 30 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2avu h GLU 30 CO -0.34 0.82 -0.15 1.03 -1.00 0.00 0.00 179.01 179.37 2avu h SER 31 N 0.43 0.00 0.00 1.42 0.87 -1.18 -3.37 113.55 111.72 2avu h SER 31 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2avu h SER 31 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2avu h SER 31 CO 0.07 0.15 -1.23 -0.62 -0.53 0.00 0.00 176.83 174.68 2avu n GLU 32 N -3.21 0.88 -4.01 2.24 -0.58 0.14 -5.06 120.64 111.04 2avu n GLU 32 Ca 0.02 -0.06 -0.27 0.00 -0.42 0.00 0.00 57.16 56.42 2avu n GLU 32 Cb 0.48 -1.15 -0.03 0.00 -0.57 0.00 0.00 31.44 30.17 2avu n GLU 32 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2avu n THR 33 N -1.70 0.00 -0.96 2.62 -2.24 0.09 -5.05 114.28 107.04 2avu n THR 33 Ca -0.01 -2.10 0.08 0.00 -2.27 0.00 0.00 64.05 59.75 2avu n THR 33 Cb 0.20 0.16 0.32 0.00 -2.10 0.00 0.00 70.33 68.91 2avu n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2avu n GLN 34 N -1.47 3.68 -3.97 -0.78 1.13 -1.26 -4.85 117.38 109.86 2avu n GLN 34 Ca -0.10 -2.97 -0.35 0.00 -1.94 0.00 0.00 57.00 51.64 2avu n GLN 34 Cb 0.59 -2.01 -0.08 0.00 0.11 0.00 0.00 30.24 28.84 2avu n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2avu s LEU 35 N -2.80 3.99 0.61 1.08 1.02 -1.26 -5.08 118.68 116.24 2avu s LEU 35 Ca 0.47 0.21 -0.18 0.00 0.02 0.00 0.00 54.13 54.65 2avu s LEU 35 Cb 0.37 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 2avu s LEU 35 CO 0.12 0.26 0.85 -1.54 0.02 0.00 0.00 176.35 176.06 2avu n SER 36 N 2.99 0.28 -0.17 2.29 3.41 -1.26 -4.57 113.62 116.58 2avu n SER 36 Ca -0.18 0.77 0.22 0.00 -0.26 0.00 0.00 58.87 59.43 2avu n SER 36 Cb 0.53 -1.34 0.61 0.00 -0.26 0.00 0.00 64.21 63.75 2avu n SER 36 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2avu h ARG 37 N 0.35 0.20 0.44 4.33 2.43 -1.98 0.14 114.38 120.29 2avu h ARG 37 Ca -0.48 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2avu h ARG 37 Cb 1.37 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2avu h ARG 37 CO 0.49 0.13 -0.21 0.78 -1.51 0.00 0.00 179.97 179.66 2avu h GLY 38 N 0.21 -0.62 -0.46 2.80 0.00 -2.00 -1.51 103.07 101.49 2avu h GLY 38 Ca 0.41 0.23 0.19 0.00 0.00 0.00 0.00 47.33 48.16 2avu h GLY 38 CO -0.09 -0.22 0.04 3.21 0.00 0.00 0.00 176.54 179.48 2avu h ARG 39 N -0.77 0.10 -0.95 4.80 2.47 -1.67 0.45 114.38 118.81 2avu h ARG 39 Ca -0.06 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.71 2avu h ARG 39 Cb 0.45 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 2avu h ARG 39 CO 0.10 0.07 0.61 -0.07 0.56 0.00 0.00 179.97 181.24 2avu h LEU 40 N 0.11 0.98 -0.67 3.04 3.38 -0.73 0.34 115.31 121.76 2avu h LEU 40 Ca 0.46 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.32 2avu h LEU 40 Cb 0.84 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2avu h LEU 40 CO -0.71 0.64 -0.24 0.40 0.09 0.00 0.00 178.44 178.63 2avu h ILE 41 N 1.13 1.27 0.17 1.22 2.04 0.89 0.32 117.51 124.55 2avu h ILE 41 Ca 0.40 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2avu h ILE 41 Cb 0.13 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2avu h ILE 41 CO -0.16 0.45 -0.08 0.50 0.00 0.00 0.00 178.15 178.86 2avu h LYS 42 N 0.67 -0.22 0.00 2.37 3.64 0.24 0.42 116.57 123.69 2avu h LYS 42 Ca 0.09 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2avu h LYS 42 Cb 0.75 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2avu h LYS 42 CO 0.06 -0.01 -0.01 1.25 -2.27 0.00 0.00 179.45 178.47 2avu h LEU 43 N -0.41 0.00 -0.07 5.20 5.85 -0.27 -1.78 115.31 123.83 2avu h LEU 43 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2avu h LEU 43 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2avu h LEU 43 CO 0.04 0.01 -0.14 0.22 -0.34 0.00 0.00 178.44 178.24 2avu h TYR 44 N 0.00 0.27 -0.18 1.25 3.20 -0.39 -2.71 116.97 118.41 2avu h TYR 44 Ca -0.00 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.82 2avu h TYR 44 Cb 0.03 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2avu h TYR 44 CO 0.00 0.73 -0.14 0.87 -1.64 0.00 0.00 178.16 177.98 2avu h LYS 45 N -0.27 -0.14 0.00 1.82 1.57 -0.12 0.34 116.57 119.77 2avu h LYS 45 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2avu h LYS 45 Cb 0.72 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2avu h LYS 45 CO 0.03 -0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.20 2avu n GLU 46 N -5.30 0.00 -0.10 3.15 1.02 -0.78 -3.28 120.64 115.35 2avu n GLU 46 Ca -0.02 0.68 -0.06 0.00 -0.02 0.00 0.00 57.16 57.75 2avu n GLU 46 Cb 0.21 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.25 2avu n GLU 46 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2avu h LEU 47 N 0.00 -0.09 0.00 -4.62 3.38 -1.41 -3.45 115.31 109.12 2avu h LEU 47 Ca 0.00 0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.63 2avu h LEU 47 Cb 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2avu h LEU 47 CO 0.00 -0.01 -0.15 0.54 0.09 0.00 0.00 178.44 178.91 2avu n ARG 48 N -5.15 0.80 0.00 1.13 1.74 0.10 -5.08 116.66 110.20 2avu n ARG 48 Ca 0.02 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.55 2avu n ARG 48 Cb 0.18 0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 2avu n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2avu n GLY 49 N -0.22 -0.68 0.00 -0.13 0.00 -1.26 -4.60 105.19 98.30 2avu n GLY 49 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2avu n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2avu n SER 50 N -0.20 0.00 -4.53 1.61 2.88 -1.26 -4.87 113.62 107.25 2avu n SER 50 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2avu n SER 50 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2avu n SER 50 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2avu s PRO 51 N 0.00 1.85 0.93 -1.46 0.04 -1.26 -3.25 135.00 131.85 2avu s PRO 51 Ca 0.00 -1.75 -0.11 0.00 0.04 0.00 0.00 61.00 59.18 2avu s PRO 51 Cb 0.00 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.86 2avu s PRO 51 CO 0.00 0.27 1.12 -2.14 0.04 0.00 0.00 177.00 176.29 2avu s PRO 52 N -3.58 0.95 0.35 0.56 0.02 -1.26 -4.86 135.00 127.18 2avu s PRO 52 Ca 0.31 1.34 0.20 0.00 0.02 0.00 0.00 61.00 62.87 2avu s PRO 52 Cb -0.03 -1.73 1.07 0.00 0.02 0.00 0.00 34.50 33.82 2avu s PRO 52 CO 0.17 -2.61 1.56 -1.35 -0.33 0.00 0.00 177.00 174.44 2avu h PRO 53 N -1.84 0.00 0.00 5.54 0.11 -2.00 -3.44 132.00 130.37 2avu h PRO 53 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2avu h PRO 53 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2avu h PRO 53 CO 0.45 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 2avu n LYS 54 N -2.24 0.00 -1.49 1.05 4.76 -1.26 -4.87 118.16 114.11 2avu n LYS 54 Ca -0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 2avu n LYS 54 Cb 0.16 -1.75 0.14 0.00 -1.84 0.00 0.00 35.03 31.74 2avu n LYS 54 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2avu s GLY 55 N -0.13 1.58 -0.04 0.72 0.00 -1.26 -5.06 107.32 103.14 2avu s GLY 55 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 2avu s GLY 55 CO 0.00 0.07 0.13 -0.29 0.00 0.00 0.00 173.10 173.02 2avu s MET 56 N -5.23 3.31 -0.04 2.90 1.75 -1.26 -4.97 119.30 115.76 2avu s MET 56 Ca 0.64 -0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.80 2avu s MET 56 Cb -0.15 -3.03 -0.01 0.00 2.84 0.00 0.00 34.83 34.48 2avu s MET 56 CO 0.54 0.69 -0.20 -1.17 -0.65 0.00 0.00 175.02 174.23 2avu s LEU 57 N -1.63 2.00 0.65 4.11 2.96 -1.26 -5.14 118.68 120.37 2avu s LEU 57 Ca 0.23 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.60 2avu s LEU 57 Cb -0.12 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 2avu s LEU 57 CO 0.13 0.21 1.07 -2.84 -1.32 0.00 0.00 176.35 173.60 2avu s PRO 58 N -0.20 3.04 -0.02 0.98 0.02 -1.26 -5.09 135.00 132.47 2avu s PRO 58 Ca 0.00 1.16 0.05 0.00 0.02 0.00 0.00 61.00 62.24 2avu s PRO 58 Cb -0.11 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2avu s PRO 58 CO 0.01 -1.03 -0.17 -0.06 -0.33 0.00 0.00 177.00 175.43 2avu s PHE 59 N -2.64 1.53 -0.23 6.54 0.40 -1.26 -5.14 117.98 117.19 2avu s PHE 59 Ca 0.62 -0.33 -0.26 0.00 -0.60 0.00 0.00 56.93 56.37 2avu s PHE 59 Cb -0.16 -1.00 0.07 0.00 0.51 0.00 0.00 43.02 42.43 2avu s PHE 59 CO 0.44 -0.06 0.71 -1.54 0.70 0.00 0.00 175.22 175.46 2avu s SER 60 N -0.27 -0.73 0.34 1.36 1.04 -1.26 -5.00 113.70 109.19 2avu s SER 60 Ca 0.04 1.32 0.25 0.00 0.48 0.00 0.00 55.95 58.03 2avu s SER 60 Cb -0.08 1.31 1.22 0.00 0.10 0.00 0.00 66.02 68.57 2avu s SER 60 CO 0.00 -0.30 1.76 0.71 0.98 0.00 0.00 173.24 176.38 2avu h THR 61 N 3.86 0.00 -0.16 2.02 1.35 -2.00 -3.19 112.91 114.78 2avu h THR 61 Ca -0.29 -0.11 0.02 0.00 -0.55 0.00 0.00 66.41 65.48 2avu h THR 61 Cb 1.16 0.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 2avu h THR 61 CO 0.11 0.00 -0.25 0.44 -0.25 0.00 0.00 175.52 175.56 2avu h ASP 62 N 0.00 -0.84 -0.56 5.36 3.32 -2.02 -2.55 116.42 119.13 2avu h ASP 62 Ca 0.00 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.28 2avu h ASP 62 Cb 0.16 0.34 -0.11 0.00 0.22 0.00 0.00 39.33 39.95 2avu h ASP 62 CO 0.00 -0.19 -0.10 1.87 -1.72 0.00 0.00 179.24 179.10 2avu n TRP 63 N -3.91 0.24 0.46 4.55 -0.00 -1.21 0.10 117.44 117.67 2avu n TRP 63 Ca -0.02 0.68 0.12 0.00 -0.00 0.00 0.00 57.50 58.28 2avu n TRP 63 Cb 0.16 -0.85 0.47 0.00 -0.00 0.00 0.00 31.31 31.09 2avu n TRP 63 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2avu n PHE 64 N -4.86 0.82 0.21 5.87 3.01 -0.96 -3.56 117.46 118.00 2avu n PHE 64 Ca 0.10 0.30 0.12 0.00 1.01 0.00 0.00 57.45 58.98 2avu n PHE 64 Cb 0.32 -0.99 0.13 0.00 -0.01 0.00 0.00 39.48 38.94 2avu n PHE 64 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 2avu h MET 65 N 0.00 0.00 0.00 -1.08 2.86 -0.39 -3.25 114.93 113.07 2avu h MET 65 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2avu h MET 65 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2avu h MET 65 CO 0.00 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.38 2avu n THR 66 N -2.93 0.00 0.00 2.22 -1.04 -1.23 -4.81 114.28 106.49 2avu n THR 66 Ca 0.03 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2avu n THR 66 Cb 0.53 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2avu n THR 66 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2avu n TRP 67 N 0.00 -0.03 0.03 -1.42 4.27 -1.26 -4.84 117.44 114.19 2avu n TRP 67 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2avu n TRP 67 Cb 0.00 0.01 -0.14 0.00 -1.36 0.00 0.00 31.31 29.81 2avu n TRP 67 CO 0.00 0.00 0.00 1.49 -2.29 0.00 0.00 177.69 176.89 2avu h GLU 68 N 0.00 0.30 -0.51 -2.67 4.81 -1.95 -2.84 114.58 111.72 2avu h GLU 68 Ca 0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2avu h GLU 68 Cb 0.00 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2avu h GLU 68 CO 0.00 1.24 0.25 1.96 -0.73 0.00 0.00 179.01 181.74 2avu h GLN 69 N -0.08 0.73 0.11 1.92 7.50 -1.89 -2.60 115.11 120.80 2avu h GLN 69 Ca -0.36 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 58.70 2avu h GLN 69 Cb 1.94 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 29.33 2avu h GLN 69 CO 0.10 0.60 -0.11 -0.97 -1.50 0.00 0.00 178.83 176.95 2avu h ASN 70 N 0.68 -0.28 -0.75 1.46 -1.24 -1.64 -1.68 115.58 112.14 2avu h ASN 70 Ca 0.18 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.32 2avu h ASN 70 Cb 0.10 0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.17 2avu h ASN 70 CO -0.02 -0.16 0.37 0.58 -1.29 0.00 0.00 177.43 176.91 2avu h VAL 71 N -0.23 0.82 -0.01 2.57 2.07 -1.34 0.29 116.25 120.41 2avu h VAL 71 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2avu h VAL 71 Cb 0.23 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2avu h VAL 71 CO -0.03 0.11 -0.00 0.45 0.02 0.00 0.00 177.57 178.12 2avu h HIS 72 N 0.61 0.03 -0.51 1.57 3.86 -1.30 -2.32 115.15 117.10 2avu h HIS 72 Ca 0.38 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.68 2avu h HIS 72 Cb 0.43 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.80 2avu h HIS 72 CO -0.11 0.41 -0.00 0.00 0.86 0.00 0.00 177.93 179.10 2avu h ALA 73 N 0.61 0.48 -0.95 2.45 0.00 -0.87 -0.31 119.26 120.67 2avu h ALA 73 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2avu h ALA 73 Cb 0.40 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2avu h ALA 73 CO 0.00 -0.39 0.60 0.77 0.00 0.00 0.00 179.25 180.23 2avu h SER 74 N 0.11 0.91 0.74 0.00 0.02 -0.37 0.27 113.55 115.24 2avu h SER 74 Ca 0.26 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2avu h SER 74 Cb 0.39 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2avu h SER 74 CO -0.43 0.54 -0.40 -0.03 -1.14 0.00 0.00 176.83 175.37 2avu h MET 75 N 1.02 -1.02 -0.23 3.45 4.05 -0.52 -1.79 114.93 119.89 2avu h MET 75 Ca 0.44 0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.99 2avu h MET 75 Cb 0.31 0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 2avu h MET 75 CO -0.22 -0.68 -0.32 0.35 0.23 0.00 0.00 176.91 176.27 2avu h PHE 76 N -1.06 -0.90 -0.39 1.39 3.57 -0.53 -2.68 116.94 116.35 2avu h PHE 76 Ca -0.10 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.53 2avu h PHE 76 Cb 0.83 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 2avu h PHE 76 CO -0.06 -0.39 -0.09 0.00 -2.23 0.00 0.00 178.31 175.54 2avu h ASN 78 N 0.01 0.93 0.09 0.00 2.35 -1.03 0.54 115.58 118.46 2avu h ASN 78 Ca 0.19 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2avu h ASN 78 Cb 0.29 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2avu h ASN 78 CO -0.40 0.58 -0.04 0.00 -1.65 0.00 0.00 177.43 175.92 2avu h ALA 79 N 1.51 -0.12 -0.07 -0.83 0.00 -0.91 -1.60 119.26 117.24 2avu h ALA 79 Ca 0.41 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2avu h ALA 79 Cb 0.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2avu h ALA 79 CO -0.17 -0.44 -0.20 2.35 0.00 0.00 0.00 179.25 180.80 2avu h TRP 80 N -0.38 -0.51 -0.51 0.00 7.01 -0.57 -0.20 115.95 120.79 2avu h TRP 80 Ca -0.01 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.11 2avu h TRP 80 Cb 0.32 0.24 -0.09 0.00 -2.10 0.00 0.00 29.16 27.53 2avu h TRP 80 CO 0.01 -0.28 -0.03 1.96 -2.79 0.00 0.00 178.44 177.32 2avu h GLN 81 N -0.28 0.09 0.19 2.65 1.08 -0.87 -0.89 115.11 117.08 2avu h GLN 81 Ca 0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2avu h GLN 81 Cb 0.39 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2avu h GLN 81 CO -0.23 0.06 -0.09 0.35 -0.95 0.00 0.00 178.83 177.96 2avu h PHE 82 N 0.09 -0.24 -0.81 2.96 3.57 -0.87 -1.78 116.94 119.86 2avu h PHE 82 Ca 0.26 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.92 2avu h PHE 82 Cb 0.40 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.11 2avu h PHE 82 CO -0.34 -0.12 0.32 -0.07 -2.23 0.00 0.00 178.31 175.87 2avu h LEU 83 N -0.30 0.27 0.51 0.59 3.38 -0.11 -1.57 115.31 118.10 2avu h LEU 83 Ca -0.03 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2avu h LEU 83 Cb 0.23 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2avu h LEU 83 CO 0.04 0.06 -0.25 -0.07 0.09 0.00 0.00 178.44 178.32 2avu h LEU 84 N 0.42 -0.58 -1.60 1.67 3.38 -0.99 -2.80 115.31 114.81 2avu h LEU 84 Ca 0.47 -0.05 0.43 0.00 0.09 0.00 0.00 57.88 58.82 2avu h LEU 84 Cb 0.78 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2avu h LEU 84 CO -0.46 -0.29 0.95 0.11 0.09 0.00 0.00 178.44 178.84 2avu h LYS 85 N -0.88 0.09 -6.79 1.13 1.79 -0.42 -3.38 116.57 108.11 2avu h LYS 85 Ca -0.07 -0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 57.89 2avu h LYS 85 Cb 0.60 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2avu h LYS 85 CO 0.12 0.06 0.44 0.95 -1.08 0.00 0.00 179.45 179.94 2avu s THR 86 N -5.18 3.65 -0.75 -0.16 -4.23 -0.68 -4.87 115.64 103.41 2avu s THR 86 Ca -0.07 1.65 -0.07 0.00 -1.18 0.00 0.00 61.69 62.02 2avu s THR 86 Cb 0.28 -4.05 -0.13 0.00 1.34 0.00 0.00 72.50 69.94 2avu s THR 86 CO 0.83 0.39 2.75 0.61 -0.54 0.00 0.00 174.62 178.67 2avu n GLY 87 N 1.30 3.25 0.00 3.99 0.00 -1.26 -3.69 105.19 108.79 2avu n GLY 87 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2avu n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avu n LEU 88 N 3.33 0.00 -3.91 0.99 4.32 -1.26 -5.09 117.00 115.39 2avu n LEU 88 Ca 0.51 -0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 56.24 2avu n LEU 88 Cb 0.42 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.05 2avu n LEU 88 CO 0.52 0.07 -0.42 0.00 -1.22 0.00 0.00 177.39 176.34 2avu n ASN 90 N 4.32 0.00 0.05 0.00 5.03 -1.26 -4.72 115.26 118.69 2avu n ASN 90 Ca -0.19 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.26 2avu n ASN 90 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2avu n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2avu n GLY 91 N 1.72 -0.60 0.15 7.41 0.00 -1.26 -4.70 105.19 107.91 2avu n GLY 91 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2avu n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2avu h VAL 92 N 0.00 1.39 -0.87 1.61 2.07 -1.98 -2.34 116.25 116.13 2avu h VAL 92 Ca 0.00 -2.61 0.09 0.00 0.82 0.00 0.00 66.70 65.00 2avu h VAL 92 Cb 0.00 2.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 2avu h VAL 92 CO 0.00 0.78 0.52 -0.78 0.02 0.00 0.00 177.57 178.11 2avu h ASP 93 N 0.21 0.77 -0.30 0.57 -0.00 -1.97 0.24 116.42 115.93 2avu h ASP 93 Ca -0.13 0.04 -0.09 0.00 -0.00 0.00 0.00 57.03 56.85 2avu h ASP 93 Cb 1.79 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.99 2avu h ASP 93 CO 0.20 0.45 -0.13 0.00 -0.00 0.00 0.00 179.24 179.76 2avu h ALA 94 N 1.46 1.02 -0.32 -0.78 0.00 -1.80 -0.88 119.26 117.95 2avu h ALA 94 Ca 0.41 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2avu h ALA 94 Cb 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2avu h ALA 94 CO -0.23 0.59 -0.45 0.28 0.00 0.00 0.00 179.25 179.44 2avu h VAL 95 N 0.66 1.28 0.46 0.00 2.07 -0.40 -2.17 116.25 118.16 2avu h VAL 95 Ca 0.11 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 2avu h VAL 95 Cb 0.60 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2avu h VAL 95 CO 0.04 0.54 -0.22 0.40 0.02 0.00 0.00 177.57 178.34 2avu h ILE 96 N 0.67 0.44 -0.56 4.57 2.04 -0.45 -0.77 117.51 123.44 2avu h ILE 96 Ca 0.04 -0.44 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2avu h ILE 96 Cb 1.03 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 2avu h ILE 96 CO 0.10 0.06 0.13 0.50 0.00 0.00 0.00 178.15 178.95 2avu h LYS 97 N -0.92 0.26 0.11 2.37 3.64 -1.24 0.21 116.57 121.01 2avu h LYS 97 Ca -0.06 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2avu h LYS 97 Cb 0.58 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2avu h LYS 97 CO 0.10 0.17 -0.14 0.00 -2.27 0.00 0.00 179.45 177.32 2avu h ALA 98 N 1.43 -0.25 -0.71 5.00 0.00 -1.37 -1.40 119.26 121.97 2avu h ALA 98 Ca 0.29 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2avu h ALA 98 Cb 0.40 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2avu h ALA 98 CO -0.36 -0.66 0.31 -0.92 0.00 0.00 0.00 179.25 177.62 2avu h TYR 99 N -0.29 0.55 -0.48 0.00 3.20 0.10 0.67 116.97 120.73 2avu h TYR 99 Ca 0.01 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2avu h TYR 99 Cb 0.29 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 2avu h TYR 99 CO -0.14 0.15 0.17 0.00 -1.64 0.00 0.00 178.16 176.70 2avu h ARG 100 N 0.51 0.33 -0.58 1.82 2.47 -0.19 0.14 114.38 118.87 2avu h ARG 100 Ca 0.36 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2avu h ARG 100 Cb 0.46 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 2avu h ARG 100 CO -0.32 0.22 0.36 -0.07 0.56 0.00 0.00 179.97 180.72 2avu h LEU 101 N 0.34 0.69 -0.71 3.04 3.38 0.02 -2.06 115.31 120.02 2avu h LEU 101 Ca 0.23 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.26 2avu h LEU 101 Cb 0.25 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2avu h LEU 101 CO -0.24 0.53 0.33 0.22 0.09 0.00 0.00 178.44 179.37 2avu h TYR 102 N 0.79 0.58 -0.17 1.13 3.20 0.22 -1.98 116.97 120.74 2avu h TYR 102 Ca 0.21 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2avu h TYR 102 Cb -0.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2avu h TYR 102 CO -0.03 0.18 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.58 2avu h LEU 103 N 0.54 0.22 -0.51 2.82 3.38 -0.29 -0.52 115.31 120.96 2avu h LEU 103 Ca 0.36 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 2avu h LEU 103 Cb 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2avu h LEU 103 CO -0.30 0.29 -0.60 -0.33 0.09 0.00 0.00 178.44 177.59 2avu h GLU 104 N 0.24 0.49 0.00 1.13 5.08 -1.18 -2.40 114.58 117.94 2avu h GLU 104 Ca 0.06 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2avu h GLU 104 Cb 0.20 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2avu h GLU 104 CO 0.01 0.94 -0.06 0.94 -1.00 0.00 0.00 179.01 179.84 2avu n GLN 105 N -3.93 0.05 -2.40 2.33 -0.06 -1.04 -4.81 117.38 107.53 2avu n GLN 105 Ca -0.03 0.04 -0.43 0.00 -2.00 0.00 0.00 57.00 54.58 2avu n GLN 105 Cb 0.63 -1.56 -0.02 0.00 -4.06 0.00 0.00 30.24 25.23 2avu n GLN 105 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2avu n PRO 107 N 6.89 -2.68 -1.48 0.00 -0.02 -1.26 -4.63 135.00 131.82 2avu n PRO 107 Ca 0.14 -0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 60.63 2avu n PRO 107 Cb 0.45 -1.83 -0.22 0.00 -0.02 0.00 0.00 33.50 31.88 2avu n PRO 107 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2avu n GLN 108 N -3.58 0.00 -1.99 -0.52 7.27 -1.26 -4.75 117.38 112.54 2avu n GLN 108 Ca 0.04 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.86 2avu n GLN 108 Cb 0.55 -1.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.14 2avu n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2avu s ALA 109 N 0.25 1.57 0.00 1.69 0.00 -1.26 -4.84 121.76 119.17 2avu s ALA 109 Ca 1.30 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2avu s ALA 109 Cb -0.85 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 17.65 2avu s ALA 109 CO 0.56 -5.24 0.18 -1.91 0.00 0.00 0.00 175.76 169.35 2avu n GLU 110 N 8.54 0.00 0.28 0.00 4.07 -1.26 -3.74 120.64 128.53 2avu n GLU 110 Ca 0.43 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.72 2avu n GLU 110 Cb 0.46 -0.60 0.93 0.00 -0.06 0.00 0.00 31.44 32.18 2avu n GLU 110 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2avu h GLU 111 N 0.00 0.00 0.00 5.31 5.08 -2.01 -3.47 114.58 119.48 2avu h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2avu h GLU 111 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2avu h GLU 111 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2avu n GLY 112 N -0.75 0.87 3.64 -3.84 0.00 -1.25 -5.04 105.19 98.82 2avu n GLY 112 Ca -0.01 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2avu n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2avu s PRO 113 N -1.47 4.10 0.33 1.61 0.04 -1.26 -4.68 135.00 133.66 2avu s PRO 113 Ca 0.00 1.04 0.10 0.00 0.04 0.00 0.00 61.00 62.18 2avu s PRO 113 Cb 0.00 -3.71 0.97 0.00 0.04 0.00 0.00 34.50 31.80 2avu s PRO 113 CO 0.00 -0.77 1.62 1.25 0.04 0.00 0.00 177.00 179.14 2avu h LEU 114 N 9.76 0.13 -8.25 -3.56 6.46 -1.97 -3.30 115.31 114.58 2avu h LEU 114 Ca -0.21 0.22 -0.74 0.00 -0.12 0.00 0.00 57.88 57.04 2avu h LEU 114 Cb 1.07 0.27 -0.22 0.00 -0.73 0.00 0.00 40.66 41.05 2avu h LEU 114 CO 0.98 -0.25 -0.25 -0.22 -0.62 0.00 0.00 178.44 178.08 2avu s LEU 115 N -10.62 5.70 0.61 2.25 1.98 -1.26 -5.06 118.68 112.27 2avu s LEU 115 Ca -0.11 -1.41 -0.13 0.00 -2.89 0.00 0.00 54.13 49.58 2avu s LEU 115 Cb 0.30 -2.22 -0.03 0.00 0.66 0.00 0.00 46.19 44.89 2avu s LEU 115 CO 0.78 -0.74 1.04 0.00 -1.89 0.00 0.00 176.35 175.53 2avu s ALA 116 N 1.77 2.87 0.21 5.97 0.00 -1.24 -4.87 121.76 126.47 2avu s ALA 116 Ca 0.05 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2avu s ALA 116 Cb -0.25 -3.16 0.29 0.00 0.00 0.00 0.00 23.12 20.00 2avu s ALA 116 CO 0.06 -0.78 1.68 1.25 0.00 0.00 0.00 175.76 177.98 2avu h LEU 117 N 0.05 -0.14 -1.17 0.00 5.85 -1.83 -0.64 115.31 117.43 2avu h LEU 117 Ca -0.45 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2avu h LEU 117 Cb 1.20 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2avu h LEU 117 CO 0.59 -0.06 0.18 0.74 -0.34 0.00 0.00 178.44 179.55 2avu h THR 118 N 0.18 1.20 -0.00 1.05 2.02 -1.81 -0.66 112.91 114.89 2avu h THR 118 Ca 0.32 -0.66 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2avu h THR 118 Cb 0.50 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2avu h THR 118 CO -0.46 0.26 -0.67 -0.09 0.37 0.00 0.00 175.52 174.92 2avu h ARG 119 N 0.75 0.01 -0.18 6.66 1.12 -1.53 -1.16 114.38 120.05 2avu h ARG 119 Ca 0.18 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.96 2avu h ARG 119 Cb 0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2avu h ARG 119 CO -0.01 0.68 -0.21 0.00 -3.11 0.00 0.00 179.97 177.31 2avu h ALA 120 N 1.32 0.27 -0.75 2.80 0.00 -0.75 -1.26 119.26 120.89 2avu h ALA 120 Ca -0.01 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.64 2avu h ALA 120 Cb 1.19 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2avu h ALA 120 CO 0.09 0.22 0.39 2.35 0.00 0.00 0.00 179.25 182.30 2avu h TRP 121 N 0.12 0.71 -0.19 0.00 7.01 -1.00 0.12 115.95 122.72 2avu h TRP 121 Ca 0.02 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.09 2avu h TRP 121 Cb 0.77 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 2avu h TRP 121 CO 0.08 0.26 -0.06 1.15 -2.79 0.00 0.00 178.44 177.09 2avu h THR 122 N 0.66 0.79 -0.40 2.65 2.02 -1.01 -1.48 112.91 116.14 2avu h THR 122 Ca 0.37 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.63 2avu h THR 122 Cb 0.39 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 2avu h THR 122 CO -0.27 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 175.74 2avu h LEU 123 N -0.02 -0.47 -0.83 2.58 5.85 0.37 0.30 115.31 123.09 2avu h LEU 123 Ca 0.09 0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.11 2avu h LEU 123 Cb 0.16 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 2avu h LEU 123 CO -0.20 -0.17 0.38 0.58 -0.34 0.00 0.00 178.44 178.69 2avu h VAL 124 N -0.04 0.65 -0.19 1.05 2.07 -0.04 -0.32 116.25 119.43 2avu h VAL 124 Ca 0.19 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2avu h VAL 124 Cb 0.34 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2avu h VAL 124 CO -0.43 0.09 -0.02 0.03 0.02 0.00 0.00 177.57 177.26 2avu h ARG 125 N 0.51 0.34 -0.07 1.57 2.47 -0.04 -1.43 114.38 117.74 2avu h ARG 125 Ca 0.47 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2avu h ARG 125 Cb 0.73 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2avu h ARG 125 CO -0.41 0.57 -0.03 0.74 0.56 0.00 0.00 179.97 181.40 2avu h PHE 126 N 0.08 0.09 0.01 3.04 0.04 -0.52 -0.67 116.94 119.02 2avu h PHE 126 Ca 0.05 -0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.62 2avu h PHE 126 Cb 0.43 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2avu h PHE 126 CO 0.04 0.13 -0.91 0.28 -0.60 0.00 0.00 178.31 177.25 2avu h VAL 127 N 0.09 1.51 0.00 -0.55 2.07 -0.80 -0.03 116.25 118.54 2avu h VAL 127 Ca 0.02 -2.71 -0.13 0.00 0.82 0.00 0.00 66.70 64.70 2avu h VAL 127 Cb 0.11 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2avu h VAL 127 CO 0.00 0.79 -0.62 -0.33 0.02 0.00 0.00 177.57 177.43 2avu h GLU 128 N 0.09 0.00 -0.01 1.57 5.08 -0.62 -2.52 114.58 118.18 2avu h GLU 128 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2avu h GLU 128 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2avu h GLU 128 CO 0.14 0.62 0.00 0.43 -1.00 0.00 0.00 179.01 179.20 2avu n SER 129 N -3.64 0.57 -1.49 1.42 7.64 -0.32 -4.91 113.62 112.89 2avu n SER 129 Ca -0.01 -1.23 -0.15 0.00 1.01 0.00 0.00 58.87 58.50 2avu n SER 129 Cb 0.65 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 2avu n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2avu n GLY 130 N 1.05 0.31 0.07 0.23 0.00 -0.95 -4.88 105.19 101.01 2avu n GLY 130 Ca 0.21 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2avu n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avu n LEU 131 N -1.95 0.42 -4.13 0.99 4.77 -0.05 -4.57 117.00 112.47 2avu n LEU 131 Ca -0.16 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2avu n LEU 131 Cb 0.58 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 2avu n LEU 131 CO 0.21 -0.00 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.11 2avu s LEU 132 N -5.07 2.41 0.34 2.23 1.02 -1.08 -1.98 118.68 116.55 2avu s LEU 132 Ca -0.05 -0.83 -0.14 0.00 0.02 0.00 0.00 54.13 53.13 2avu s LEU 132 Cb 0.11 -0.11 0.03 0.00 0.02 0.00 0.00 46.19 46.25 2avu s LEU 132 CO 0.85 -0.37 0.69 0.00 0.02 0.00 0.00 176.35 177.55 2avu s GLN 133 N -2.97 2.03 -0.22 1.70 -2.07 0.38 -4.32 119.66 114.19 2avu s GLN 133 Ca 0.03 -1.39 -0.09 0.00 -1.82 0.00 0.00 55.36 52.10 2avu s GLN 133 Cb -0.01 0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 2avu s GLN 133 CO -0.03 -0.92 0.11 -0.51 -1.32 0.00 0.00 175.29 172.63 2avu s LEU 134 N -3.06 3.95 0.22 2.60 1.43 -1.26 -0.66 118.68 121.88 2avu s LEU 134 Ca 0.18 0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2avu s LEU 134 Cb -0.04 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2avu s LEU 134 CO 0.12 0.10 -0.22 -0.44 0.23 0.00 0.00 176.35 176.14 2avu s SER 135 N 0.84 3.36 -0.03 2.29 0.01 -0.51 -4.91 113.70 114.74 2avu s SER 135 Ca 0.06 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2avu s SER 135 Cb -0.13 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2avu s SER 135 CO 0.02 0.07 0.11 -0.94 0.41 0.00 0.00 173.24 172.91 2avu s SER 136 N -2.95 5.91 0.41 2.44 1.04 -1.26 -0.73 113.70 118.55 2avu s SER 136 Ca 0.23 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.65 2avu s SER 136 Cb -0.06 -1.77 -0.08 0.00 0.10 0.00 0.00 66.02 64.20 2avu s SER 136 CO 0.11 0.31 1.25 0.00 0.98 0.00 0.00 173.24 175.89 2avu h ASN 138 N 2.61 -1.38 0.00 0.00 2.35 -0.35 -2.46 115.58 116.35 2avu h ASN 138 Ca -0.49 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2avu h ASN 138 Cb 1.24 0.50 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2avu h ASN 138 CO 0.62 -0.55 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 2avu n GLY 141 N -0.96 0.16 3.83 0.00 0.00 -0.92 -4.96 105.19 102.32 2avu n GLY 141 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2avu n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2avu s GLY 142 N -1.98 1.83 -0.41 -0.02 0.00 -1.26 -4.53 107.32 100.96 2avu s GLY 142 Ca 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 2avu s GLY 142 CO 0.00 0.44 0.72 -1.31 0.00 0.00 0.00 173.10 172.95 2avu s ASN 143 N -3.51 6.43 0.12 1.64 0.01 -1.26 -1.80 114.94 116.57 2avu s ASN 143 Ca 0.59 0.00 0.09 0.00 -0.71 0.00 0.00 52.86 52.84 2avu s ASN 143 Cb -0.13 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2avu s ASN 143 CO 0.47 -0.77 -0.20 -0.36 -1.51 0.00 0.00 177.10 174.73 2avu s PHE 144 N 3.01 2.48 0.28 2.20 0.40 0.09 -4.80 117.98 121.64 2avu s PHE 144 Ca 0.27 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 56.02 2avu s PHE 144 Cb -0.13 -1.32 -0.10 0.00 0.51 0.00 0.00 43.02 41.98 2avu s PHE 144 CO 0.19 0.38 1.33 0.42 0.70 0.00 0.00 175.22 178.24 2avu s ILE 145 N -1.16 2.86 0.28 0.64 -1.09 -1.26 -1.43 121.20 120.05 2avu s ILE 145 Ca 0.17 0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 59.24 2avu s ILE 145 Cb -0.10 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2avu s ILE 145 CO 0.09 0.16 0.58 0.42 -1.23 0.00 0.00 174.94 174.96 2avu s THR 146 N -0.59 0.00 0.42 2.92 -4.23 0.16 -4.90 115.64 109.42 2avu s THR 146 Ca 0.53 -1.28 -0.25 0.00 -1.18 0.00 0.00 61.69 59.51 2avu s THR 146 Cb -0.39 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.09 2avu s THR 146 CO 0.47 0.00 1.28 -1.00 -0.54 0.00 0.00 174.62 174.83 2avu s HIS 147 N -3.69 2.80 0.51 3.99 3.76 -1.26 -0.47 115.29 120.93 2avu s HIS 147 Ca 0.20 1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 56.32 2avu s HIS 147 Cb -0.03 -3.62 -0.08 0.00 1.11 0.00 0.00 32.58 29.97 2avu s HIS 147 CO 0.10 -2.02 1.07 0.00 -0.85 0.00 0.00 174.74 173.04 2avu n ALA 148 N -0.05 0.54 -3.02 -1.40 0.00 -0.84 -3.32 120.51 112.40 2avu n ALA 148 Ca 0.05 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2avu n ALA 148 Cb 0.44 -2.16 0.04 0.00 0.00 0.00 0.00 19.45 17.78 2avu n ALA 148 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2avu n HIS 149 N -0.98 -2.40 -3.44 0.00 8.25 -1.26 -4.96 115.22 110.42 2avu n HIS 149 Ca 0.11 0.87 -0.43 0.00 -0.26 0.00 0.00 57.72 58.00 2avu n HIS 149 Cb 0.43 -3.94 -0.06 0.00 1.12 0.00 0.00 29.99 27.54 2avu n HIS 149 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2avu s GLN 150 N -3.82 2.83 -0.18 -0.41 2.00 -1.21 -5.00 119.66 113.86 2avu s GLN 150 Ca 0.27 -1.89 -0.16 0.00 -2.00 0.00 0.00 55.36 51.58 2avu s GLN 150 Cb -0.04 -4.12 -0.07 0.00 0.80 0.00 0.00 33.01 29.58 2avu s GLN 150 CO 0.67 -1.26 0.69 -0.35 -0.50 0.00 0.00 175.29 174.55 2avu n PRO 151 N 4.81 0.00 -1.71 1.67 -0.04 -1.26 -4.63 135.00 133.84 2avu n PRO 151 Ca -0.06 0.00 -0.67 0.00 -0.04 0.00 0.00 63.50 62.73 2avu n PRO 151 Cb 0.41 -0.54 -0.10 0.00 -0.04 0.00 0.00 33.50 33.23 2avu n PRO 151 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2avu n VAL 152 N 1.99 0.01 -1.85 0.52 0.31 -1.26 -3.53 118.33 114.52 2avu n VAL 152 Ca 0.16 -0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 2avu n VAL 152 Cb -0.02 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.38 2avu n VAL 152 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2avu n GLY 153 N 4.26 -4.49 0.00 2.92 0.00 -1.26 -4.96 105.19 101.66 2avu n GLY 153 Ca 0.33 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2avu n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2avu n SER 154 N 1.03 0.00 -4.02 1.61 3.41 -1.23 -5.09 113.62 109.33 2avu n SER 154 Ca -0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.25 2avu n SER 154 Cb 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 2avu n SER 154 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2avu s PHE 155 N 0.00 2.20 -0.26 7.33 5.36 -1.26 -5.04 117.98 126.31 2avu s PHE 155 Ca 0.00 -1.25 -0.09 0.00 -0.96 0.00 0.00 56.93 54.63 2avu s PHE 155 Cb 0.00 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 41.03 2avu s PHE 155 CO 0.00 -0.68 0.13 0.00 -1.46 0.00 0.00 175.22 173.21 2avu s ALA 156 N 1.48 3.38 0.71 11.12 0.00 -1.26 0.47 121.76 137.65 2avu s ALA 156 Ca 0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 2avu s ALA 156 Cb -0.13 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.75 2avu s ALA 156 CO -0.11 -0.45 1.23 0.00 0.00 0.00 0.00 175.76 176.43 2avu h SER 158 N -0.04 -1.47 -0.06 0.00 0.87 -1.97 -0.93 113.55 109.95 2avu h SER 158 Ca -0.49 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2avu h SER 158 Cb 1.31 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 63.89 2avu h SER 158 CO 0.51 -0.23 0.07 -0.07 -0.53 0.00 0.00 176.83 176.57 2avu h LEU 159 N -0.15 0.00 -0.20 2.23 4.07 -1.91 -3.53 115.31 115.82 2avu h LEU 159 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2avu h LEU 159 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2avu h LEU 159 CO -0.56 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 176.80