#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 1.26 -0.75 2.46 2.04 -2.06 -1.17 117.51 119.29 2avu h ILE 6 Ca 0.00 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2avu h ILE 6 Cb 0.00 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2avu h ILE 6 CO 0.00 0.34 0.49 0.58 0.00 0.00 0.00 178.15 179.56 2avu h VAL 7 N 0.60 1.17 -0.09 1.67 2.07 -2.06 -0.63 116.25 118.99 2avu h VAL 7 Ca 0.13 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2avu h VAL 7 Cb 0.46 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2avu h VAL 7 CO 0.02 0.18 -0.16 1.56 0.02 0.00 0.00 177.57 179.19 2avu h GLN 8 N 0.99 0.14 -0.29 1.57 1.08 -1.95 -1.46 115.11 115.19 2avu h GLN 8 Ca 0.28 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2avu h GLN 8 Cb -0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2avu h GLN 8 CO -0.07 0.30 0.19 1.49 -0.95 0.00 0.00 178.83 179.78 2avu h GLU 9 N 0.13 0.37 0.06 1.46 4.81 0.15 -1.56 114.58 120.00 2avu h GLU 9 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2avu h GLU 9 Cb 0.36 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2avu h GLU 9 CO 0.02 0.24 -0.03 0.00 -0.73 0.00 0.00 179.01 178.52 2avu h ALA 10 N 1.11 -0.08 -0.73 2.92 0.00 -0.91 -3.14 119.26 118.42 2avu h ALA 10 Ca 0.11 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2avu h ALA 10 Cb -0.04 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 2avu h ALA 10 CO -0.03 -0.42 -0.45 0.00 0.00 0.00 0.00 179.25 178.36 2avu h ARG 11 N -0.34 -0.14 -0.65 0.00 2.47 -1.01 -2.19 114.38 112.51 2avu h ARG 11 Ca -0.01 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2avu h ARG 11 Cb 0.30 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 2avu h ARG 11 CO 0.01 -0.09 0.43 -0.44 0.56 0.00 0.00 179.97 180.44 2avu h ASP 12 N -0.14 0.75 -0.43 7.04 3.32 -1.32 0.15 116.42 125.79 2avu h ASP 12 Ca 0.21 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.28 2avu h ASP 12 Cb 0.55 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 2avu h ASP 12 CO -0.79 0.54 0.20 0.40 -1.72 0.00 0.00 179.24 177.87 2avu h ILE 13 N 0.89 0.95 0.27 0.35 2.04 -1.36 0.66 117.51 121.30 2avu h ILE 13 Ca 0.24 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2avu h ILE 13 Cb -0.10 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2avu h ILE 13 CO -0.05 0.07 -0.19 1.56 0.00 0.00 0.00 178.15 179.54 2avu h GLN 14 N 0.41 -0.45 -0.48 2.37 4.20 -0.89 0.93 115.11 121.20 2avu h GLN 14 Ca 0.19 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.03 2avu h GLN 14 Cb 0.11 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.91 2avu h GLN 14 CO -0.14 -0.30 -0.09 1.25 -0.67 0.00 0.00 178.83 178.88 2avu h LEU 15 N -0.46 -0.38 -0.18 1.46 6.46 -0.07 1.28 115.31 123.42 2avu h LEU 15 Ca -0.02 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2avu h LEU 15 Cb 0.40 0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.55 2avu h LEU 15 CO 0.01 -0.14 -0.15 0.00 -0.62 0.00 0.00 178.44 177.54 2avu h ALA 16 N 1.47 -0.02 0.17 1.25 0.00 0.96 0.20 119.26 123.29 2avu h ALA 16 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2avu h ALA 16 Cb 0.36 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2avu h ALA 16 CO -0.47 -0.58 -0.16 0.52 0.00 0.00 0.00 179.25 178.55 2avu h MET 17 N -0.16 -0.35 -0.66 0.00 2.86 0.36 0.56 114.93 117.54 2avu h MET 17 Ca 0.11 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2avu h MET 17 Cb 0.33 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 2avu h MET 17 CO -0.28 -0.23 0.34 1.49 1.06 0.00 0.00 176.91 179.29 2avu h GLU 18 N -0.36 0.59 -0.33 1.72 4.81 0.19 -1.63 114.58 119.57 2avu h GLU 18 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2avu h GLU 18 Cb 0.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2avu h GLU 18 CO -0.04 0.39 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.56 2avu h LEU 19 N 0.61 0.58 -0.67 1.64 3.38 -0.22 -2.97 115.31 117.65 2avu h LEU 19 Ca 0.31 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2avu h LEU 19 Cb 0.26 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2avu h LEU 19 CO -0.22 0.75 0.38 0.40 0.09 0.00 0.00 178.44 179.84 2avu h ILE 20 N 0.39 0.99 0.00 1.22 2.04 0.84 -2.09 117.51 120.90 2avu h ILE 20 Ca 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2avu h ILE 20 Cb 0.46 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2avu h ILE 20 CO 0.02 0.13 0.00 0.35 0.00 0.00 0.00 178.15 178.65 2avu n THR 21 N -4.76 0.58 -0.07 -0.27 -2.24 -0.68 -2.73 114.28 104.11 2avu n THR 21 Ca 0.08 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2avu n THR 21 Cb 0.16 -0.80 0.26 0.00 -2.10 0.00 0.00 70.33 67.84 2avu n THR 21 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2avu n LEU 22 N -1.62 3.61 0.00 3.22 4.77 -0.80 -4.99 117.00 121.19 2avu n LEU 22 Ca 0.05 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 2avu n LEU 22 Cb 0.26 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2avu n LEU 22 CO 0.20 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2avu n GLY 23 N 1.45 2.38 6.59 -0.72 0.00 -1.11 -4.51 105.19 109.27 2avu n GLY 23 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 0.00 4.61 0.00 -1.11 -4.81 120.51 119.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.63 -1.26 -4.54 116.66 111.49 2avu n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2avu n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2avu n ARG 25 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2avu n LEU 26 N 0.00 0.00 -0.12 6.15 4.77 -1.26 -4.43 117.00 122.10 2avu n LEU 26 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2avu n LEU 26 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2avu n LEU 26 CO 0.00 0.00 0.94 1.56 -1.33 0.00 0.00 177.39 178.56 2avu h GLN 27 N 0.00 0.55 -0.06 3.23 4.20 -1.95 0.50 115.11 121.58 2avu h GLN 27 Ca 0.00 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 2avu h GLN 27 Cb 0.00 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.70 2avu h GLN 27 CO 0.00 0.50 -0.69 1.98 -0.67 0.00 0.00 178.83 179.94 2avu h MET 28 N 0.47 0.58 -0.48 1.46 4.05 -1.94 -3.09 114.93 115.99 2avu h MET 28 Ca 0.13 -0.54 0.07 0.00 -0.28 0.00 0.00 59.70 59.08 2avu h MET 28 Cb 0.13 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 2avu h MET 28 CO -0.02 1.16 0.14 -0.07 0.23 0.00 0.00 176.91 178.36 2avu h LEU 29 N 0.19 0.10 -0.70 3.39 3.38 -1.80 -0.46 115.31 119.41 2avu h LEU 29 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2avu h LEU 29 Cb 1.36 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2avu h LEU 29 CO 0.14 0.09 0.00 -0.33 0.09 0.00 0.00 178.44 178.43 2avu h GLU 30 N 0.30 0.00 0.08 1.13 5.08 -0.06 0.28 114.58 121.38 2avu h GLU 30 Ca 0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.28 2avu h GLU 30 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2avu h GLU 30 CO -0.26 0.00 -1.64 0.77 -1.00 0.00 0.00 179.01 176.88 2avu h SER 31 N 0.00 0.25 0.00 1.42 0.02 -1.03 -3.40 113.55 110.82 2avu h SER 31 Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2avu h SER 31 Cb 0.40 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2avu h SER 31 CO 0.00 1.37 -1.14 -0.62 -1.14 0.00 0.00 176.83 175.30 2avu n GLU 32 N -3.33 1.48 -4.18 3.45 -0.58 -0.69 -5.01 120.64 111.79 2avu n GLU 32 Ca -0.18 -0.06 -0.30 0.00 -0.42 0.00 0.00 57.16 56.19 2avu n GLU 32 Cb 1.04 -1.24 -0.09 0.00 -0.57 0.00 0.00 31.44 30.58 2avu n GLU 32 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2avu s THR 33 N -2.63 3.72 -0.13 2.62 2.01 0.98 -5.00 115.64 117.21 2avu s THR 33 Ca 0.00 -1.12 0.15 0.00 0.31 0.00 0.00 61.69 61.03 2avu s THR 33 Cb 0.10 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2avu s THR 33 CO 0.57 0.12 1.31 1.56 -0.69 0.00 0.00 174.62 177.49 2avu h GLN 34 N 3.52 0.00 -6.36 4.92 1.08 -1.89 -3.42 115.11 112.96 2avu h GLN 34 Ca -0.48 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.07 2avu h GLN 34 Cb 1.17 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.65 2avu h GLN 34 CO 0.56 0.49 0.54 1.28 -0.95 0.00 0.00 178.83 180.74 2avu n LEU 35 N -3.16 2.10 -4.77 1.46 4.77 -1.26 -4.92 117.00 111.22 2avu n LEU 35 Ca -0.00 1.11 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 2avu n LEU 35 Cb 0.77 -1.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2avu n LEU 35 CO 0.41 -0.84 1.05 -0.94 -1.33 0.00 0.00 177.39 175.75 2avu s SER 36 N 0.54 5.99 0.61 -1.43 1.04 -1.26 -4.69 113.70 114.50 2avu s SER 36 Ca 0.81 2.88 0.24 0.00 0.48 0.00 0.00 55.95 60.36 2avu s SER 36 Cb -0.85 -2.65 0.89 0.00 0.10 0.00 0.00 66.02 63.51 2avu s SER 36 CO 0.45 -1.09 1.34 -0.09 0.98 0.00 0.00 173.24 174.83 2avu h ARG 37 N 2.44 0.00 0.00 4.02 2.43 -1.99 -1.28 114.38 120.00 2avu h ARG 37 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2avu h ARG 37 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2avu h ARG 37 CO 0.62 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.49 2avu n GLY 38 N -1.66 -0.73 0.26 2.80 0.00 -1.26 -2.15 105.19 102.45 2avu n GLY 38 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 2avu n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2avu n ARG 39 N -1.25 -0.13 -0.10 1.61 5.12 -0.54 0.19 116.66 121.56 2avu n ARG 39 Ca 0.00 1.08 -0.06 0.00 -1.93 0.00 0.00 57.85 56.94 2avu n ARG 39 Cb 0.00 -1.61 0.01 0.00 -1.16 0.00 0.00 32.46 29.71 2avu n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2avu h LEU 40 N 0.00 0.00 -1.17 0.55 3.38 -1.53 0.89 115.31 117.42 2avu h LEU 40 Ca 0.28 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2avu h LEU 40 Cb 0.45 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2avu h LEU 40 CO -0.70 0.04 0.33 0.40 0.09 0.00 0.00 178.44 178.60 2avu h ILE 41 N 0.18 1.20 0.46 1.22 2.04 0.25 0.43 117.51 123.30 2avu h ILE 41 Ca 0.16 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2avu h ILE 41 Cb 0.19 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2avu h ILE 41 CO -0.22 0.23 -0.22 0.50 0.00 0.00 0.00 178.15 178.44 2avu h LYS 42 N 0.91 -0.60 -0.49 2.37 3.64 0.13 -1.31 116.57 121.23 2avu h LYS 42 Ca 0.23 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 2avu h LYS 42 Cb 0.06 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 2avu h LYS 42 CO -0.03 -0.35 0.21 1.25 -2.27 0.00 0.00 179.45 178.25 2avu h LEU 43 N -0.70 0.26 -0.76 5.20 6.46 0.11 0.49 115.31 126.37 2avu h LEU 43 Ca -0.06 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.84 2avu h LEU 43 Cb 0.52 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.38 2avu h LEU 43 CO 0.10 0.18 0.39 0.22 -0.62 0.00 0.00 178.44 178.72 2avu h TYR 44 N 0.41 0.70 0.77 1.25 3.20 -0.03 -2.55 116.97 120.73 2avu h TYR 44 Ca 0.23 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2avu h TYR 44 Cb 0.20 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.28 2avu h TYR 44 CO -0.13 0.24 -0.37 0.87 -1.64 0.00 0.00 178.16 177.13 2avu h LYS 45 N 0.64 -1.00 -2.31 1.82 1.57 0.12 -2.05 116.57 115.37 2avu h LYS 45 Ca 0.38 0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 59.09 2avu h LYS 45 Cb 0.42 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2avu h LYS 45 CO -0.28 -0.65 -0.08 -0.85 -0.57 0.00 0.00 179.45 177.01 2avu n GLU 46 N -5.51 1.43 0.00 3.15 0.28 -0.01 -0.43 120.64 119.55 2avu n GLU 46 Ca -0.14 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 2avu n GLU 46 Cb 0.42 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.43 2avu n GLU 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2avu n LEU 47 N 2.67 0.00 0.00 -1.84 7.94 -1.13 -4.93 117.00 119.70 2avu n LEU 47 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2avu n LEU 47 Cb 0.64 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.59 2avu n LEU 47 CO 0.17 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.99 2avu n ARG 48 N 0.00 0.00 0.00 1.96 1.74 -0.78 -4.99 116.66 114.58 2avu n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2avu n ARG 48 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 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 0.00 1.73 3.33 -0.13 0.00 0.42 -4.94 105.19 105.60 2avu n GLY 49 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2avu n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2avu n SER 50 N 4.82 -2.75 -4.90 1.61 3.41 -1.26 -4.46 113.62 110.08 2avu n SER 50 Ca 0.00 0.26 -0.28 0.00 -0.26 0.00 0.00 58.87 58.58 2avu n SER 50 Cb 0.00 -1.10 0.03 0.00 -0.26 0.00 0.00 64.21 62.88 2avu n SER 50 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2avu s PRO 51 N -3.33 3.03 0.48 4.33 0.04 -1.26 -4.33 135.00 133.96 2avu s PRO 51 Ca 0.54 0.24 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 2avu s PRO 51 Cb -0.19 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 2avu s PRO 51 CO 0.70 -0.74 0.94 -1.25 0.04 0.00 0.00 177.00 176.68 2avu s PRO 52 N -5.10 3.95 0.37 0.56 0.04 -1.26 -4.96 135.00 128.60 2avu s PRO 52 Ca 0.55 0.89 0.32 0.00 0.04 0.00 0.00 61.00 62.80 2avu s PRO 52 Cb -0.11 -2.19 1.19 0.00 0.04 0.00 0.00 34.50 33.43 2avu s PRO 52 CO 0.48 -0.20 1.11 -2.30 0.04 0.00 0.00 177.00 176.14 2avu n PRO 53 N -1.40 -0.01 0.00 0.56 -0.02 -1.26 -4.80 135.00 128.08 2avu n PRO 53 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2avu n PRO 53 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2avu n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2avu n LYS 54 N -3.59 0.00 -2.51 -0.52 4.76 -1.26 -4.89 118.16 110.15 2avu n LYS 54 Ca 0.31 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.39 2avu n LYS 54 Cb 1.35 -0.47 -0.04 0.00 -1.84 0.00 0.00 35.03 34.04 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 0.00 2.70 -0.06 0.72 0.00 -1.26 -5.04 107.32 104.39 2avu s GLY 55 Ca 0.00 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.25 2avu s GLY 55 CO 0.00 1.12 0.49 1.06 0.00 0.00 0.00 173.10 175.77 2avu s MET 56 N -2.63 4.23 0.07 2.90 -1.94 -1.26 -5.00 119.30 115.67 2avu s MET 56 Ca 0.60 0.51 0.08 0.00 -1.71 0.00 0.00 55.69 55.17 2avu s MET 56 Cb -0.22 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2avu s MET 56 CO 0.27 0.35 -0.20 -0.48 -0.01 0.00 0.00 175.02 174.95 2avu s LEU 57 N -0.03 2.57 0.70 -0.03 0.05 -1.26 -5.13 118.68 115.55 2avu s LEU 57 Ca 0.26 -0.51 -0.16 0.00 0.05 0.00 0.00 54.13 53.78 2avu s LEU 57 Cb -0.16 -1.48 0.02 0.00 -2.05 0.00 0.00 46.19 42.52 2avu s LEU 57 CO 0.13 0.23 1.21 -2.16 -0.55 0.00 0.00 176.35 175.20 2avu s PRO 58 N -1.66 2.33 -0.63 1.48 0.04 -1.26 -5.03 135.00 130.27 2avu s PRO 58 Ca 0.15 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2avu s PRO 58 Cb -0.10 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.74 2avu s PRO 58 CO 0.06 -1.69 0.45 -0.06 0.04 0.00 0.00 177.00 175.81 2avu s PHE 59 N -1.91 3.44 0.44 0.56 0.08 -1.26 -5.08 117.98 114.25 2avu s PHE 59 Ca 0.75 -2.64 -0.13 0.00 0.12 0.00 0.00 56.93 55.02 2avu s PHE 59 Cb -0.29 -3.25 -0.07 0.00 -0.57 0.00 0.00 43.02 38.83 2avu s PHE 59 CO 0.43 -0.86 0.85 0.45 -0.10 0.00 0.00 175.22 175.99 2avu s SER 60 N 0.86 6.59 -0.25 1.36 0.15 -1.26 -5.02 113.70 116.13 2avu s SER 60 Ca 0.16 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.16 2avu s SER 60 Cb -0.20 -2.40 -0.17 0.00 -1.71 0.00 0.00 66.02 61.54 2avu s SER 60 CO -0.04 -0.45 -0.20 1.07 1.20 0.00 0.00 173.24 174.82 2avu n THR 61 N -1.31 1.50 0.33 6.45 5.66 -1.26 -4.32 114.28 121.32 2avu n THR 61 Ca 0.04 -0.58 0.22 0.00 -3.05 0.00 0.00 64.05 60.68 2avu n THR 61 Cb 0.54 -1.42 1.13 0.00 -1.55 0.00 0.00 70.33 69.03 2avu n THR 61 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2avu h ASP 62 N 0.00 0.00 -0.96 1.09 3.04 -2.01 -2.75 116.42 114.83 2avu h ASP 62 Ca -0.57 0.00 0.24 0.00 -3.24 0.00 0.00 57.03 53.46 2avu h ASP 62 Cb 1.91 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 40.07 2avu h ASP 62 CO -0.08 0.00 0.51 -0.25 -2.04 0.00 0.00 179.24 177.38 2avu h TRP 63 N 0.00 0.86 0.00 4.15 2.91 -2.00 0.73 115.95 122.60 2avu h TRP 63 Ca -0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2avu h TRP 63 Cb 0.08 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.51 2avu h TRP 63 CO 0.00 -0.01 0.00 1.19 -1.03 0.00 0.00 178.44 178.59 2avu n PHE 64 N -4.97 0.00 0.09 2.65 3.01 -1.04 -3.34 117.46 113.87 2avu n PHE 64 Ca 0.25 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.83 2avu n PHE 64 Cb 0.73 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.16 2avu n PHE 64 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2avu n MET 65 N -1.00 0.61 -1.91 -1.08 2.81 0.25 -3.84 117.12 112.95 2avu n MET 65 Ca 0.23 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.75 2avu n MET 65 Cb 0.11 -1.76 -0.03 0.00 -0.71 0.00 0.00 33.22 30.83 2avu n MET 65 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2avu s THR 66 N -3.39 3.36 0.00 2.03 2.01 -1.21 -4.79 115.64 113.64 2avu s THR 66 Ca -0.02 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2avu s THR 66 Cb 0.11 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2avu s THR 66 CO 0.81 -0.38 0.00 -2.67 -0.69 0.00 0.00 174.62 171.69 2avu n TRP 67 N 11.14 0.00 -0.02 4.92 4.27 -1.26 -0.36 117.44 136.14 2avu n TRP 67 Ca 0.25 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.73 2avu n TRP 67 Cb 0.48 -0.33 -0.10 0.00 -1.36 0.00 0.00 31.31 29.99 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 -0.04 0.00 -2.67 4.81 -1.97 -2.87 114.58 111.85 2avu h GLU 68 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2avu h GLU 68 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2avu h GLU 68 CO 0.00 0.57 -0.09 1.96 -0.73 0.00 0.00 179.01 180.73 2avu h GLN 69 N -0.69 0.00 -0.18 1.92 4.20 -1.01 -2.34 115.11 117.01 2avu h GLN 69 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2avu h GLN 69 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2avu h GLN 69 CO 0.01 0.09 -0.69 -0.97 -0.67 0.00 0.00 178.83 176.60 2avu h ASN 70 N 0.00 0.82 -0.61 1.46 -0.73 -1.19 -1.59 115.58 113.75 2avu h ASN 70 Ca -0.00 -0.50 -0.05 0.00 1.87 0.00 0.00 56.30 57.61 2avu h ASN 70 Cb 0.27 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 2avu h ASN 70 CO 0.01 1.28 0.17 0.58 -0.37 0.00 0.00 177.43 179.10 2avu h VAL 71 N 0.51 1.25 0.11 2.57 2.07 -1.19 -1.56 116.25 120.01 2avu h VAL 71 Ca -0.03 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2avu h VAL 71 Cb 1.29 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2avu h VAL 71 CO 0.14 0.33 -0.05 0.45 0.02 0.00 0.00 177.57 178.46 2avu h HIS 72 N 0.88 -0.13 -0.55 1.57 3.86 -1.49 -1.80 115.15 117.48 2avu h HIS 72 Ca 0.19 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.51 2avu h HIS 72 Cb 0.32 0.04 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 2avu h HIS 72 CO 0.02 0.11 0.01 0.00 0.86 0.00 0.00 177.93 178.93 2avu h ALA 73 N 0.49 0.54 -0.63 2.45 0.00 -1.21 -1.16 119.26 119.74 2avu h ALA 73 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2avu h ALA 73 Cb 0.31 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2avu h ALA 73 CO 0.02 -0.38 0.38 0.77 0.00 0.00 0.00 179.25 180.04 2avu h SER 74 N 0.12 0.61 0.35 0.00 0.02 -1.20 0.31 113.55 113.78 2avu h SER 74 Ca 0.28 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2avu h SER 74 Cb 0.44 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2avu h SER 74 CO -0.46 0.42 -0.40 -0.03 -1.14 0.00 0.00 176.83 175.22 2avu h MET 75 N 0.74 -0.73 -0.65 3.45 -1.53 -0.35 -1.43 114.93 114.44 2avu h MET 75 Ca 0.26 0.05 0.13 0.00 -3.44 0.00 0.00 59.70 56.70 2avu h MET 75 Cb 0.05 0.17 -0.12 0.00 -0.55 0.00 0.00 31.60 31.14 2avu h MET 75 CO -0.12 -0.49 -0.17 0.35 0.14 0.00 0.00 176.91 176.63 2avu h PHE 76 N -0.76 -0.36 -0.11 1.39 3.57 -0.76 -2.47 116.94 117.44 2avu h PHE 76 Ca -0.04 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2avu h PHE 76 Cb 0.67 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2avu h PHE 76 CO -0.24 -0.28 -0.08 0.00 -2.23 0.00 0.00 178.31 175.47 2avu h ASN 78 N -0.10 0.41 -0.32 0.00 2.35 -0.81 0.35 115.58 117.46 2avu h ASN 78 Ca 0.07 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2avu h ASN 78 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2avu h ASN 78 CO -0.17 0.23 0.03 0.00 -1.65 0.00 0.00 177.43 175.87 2avu h ALA 79 N 1.44 0.43 0.22 -0.83 0.00 -1.25 -0.63 119.26 118.65 2avu h ALA 79 Ca 0.35 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2avu h ALA 79 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2avu h ALA 79 CO -0.29 0.15 -0.26 2.35 0.00 0.00 0.00 179.25 181.20 2avu h TRP 80 N 0.37 -0.71 0.01 0.00 7.01 -0.29 0.29 115.95 122.63 2avu h TRP 80 Ca 0.10 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.13 2avu h TRP 80 Cb 0.39 0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.68 2avu h TRP 80 CO 0.03 -0.38 -0.35 1.96 -2.79 0.00 0.00 178.44 176.91 2avu h GLN 81 N -0.54 -0.49 -0.16 2.65 1.08 -0.33 0.06 115.11 117.40 2avu h GLN 81 Ca 0.00 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2avu h GLN 81 Cb 0.51 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.99 2avu h GLN 81 CO -0.09 -0.33 -0.32 0.35 -0.95 0.00 0.00 178.83 177.49 2avu h PHE 82 N -0.51 -0.90 -0.88 2.96 3.57 -0.83 0.28 116.94 120.63 2avu h PHE 82 Ca 0.05 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.78 2avu h PHE 82 Cb 0.59 0.42 -0.11 0.00 2.79 0.00 0.00 35.95 39.64 2avu h PHE 82 CO -0.36 -0.40 0.42 -0.07 -2.23 0.00 0.00 178.31 175.67 2avu h LEU 83 N -0.38 0.44 0.60 0.59 3.38 0.37 0.31 115.31 120.62 2avu h LEU 83 Ca 0.10 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2avu h LEU 83 Cb 0.55 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2avu h LEU 83 CO -0.37 0.11 -0.29 -0.07 0.09 0.00 0.00 178.44 177.91 2avu h LEU 84 N 0.51 -0.68 -1.16 1.67 3.38 0.38 -2.36 115.31 117.06 2avu h LEU 84 Ca 0.52 -0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.75 2avu h LEU 84 Cb 0.88 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2avu h LEU 84 CO -0.45 -0.39 0.64 0.11 0.09 0.00 0.00 178.44 178.44 2avu h LYS 85 N -0.95 0.40 -0.79 1.13 1.79 0.46 -0.40 116.57 118.23 2avu h LYS 85 Ca -0.08 -0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.52 2avu h LYS 85 Cb 0.66 -0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.07 2avu h LYS 85 CO 0.13 0.27 -0.24 1.15 -1.08 0.00 0.00 179.45 179.68 2avu h THR 86 N 0.42 0.17 0.00 -0.16 2.02 0.12 -3.45 112.91 112.02 2avu h THR 86 Ca 0.67 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.85 2avu h THR 86 Cb 1.55 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2avu h THR 86 CO -0.44 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.06 2avu n GLY 87 N -1.51 0.79 0.02 2.16 0.00 -0.16 -4.93 105.19 101.56 2avu n GLY 87 Ca 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 1.46 -3.82 0.99 4.32 -1.26 -4.98 117.00 113.71 2avu n LEU 88 Ca 0.00 -1.55 -0.29 0.00 -0.02 0.00 0.00 56.01 54.15 2avu n LEU 88 Cb 0.00 -0.03 -0.16 0.00 -1.62 0.00 0.00 43.42 41.61 2avu n LEU 88 CO 0.00 0.38 -0.39 0.00 -1.22 0.00 0.00 177.39 176.16 2avu n ASN 90 N 4.88 0.00 0.03 0.00 3.02 -1.26 -4.68 115.26 117.25 2avu n ASN 90 Ca -0.10 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2avu n ASN 90 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2avu n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2avu n GLY 91 N -0.65 -1.90 0.27 7.41 0.00 -1.26 -4.83 105.19 104.23 2avu n GLY 91 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 1.25 -0.70 1.61 2.07 -1.99 -0.59 116.25 117.90 2avu h VAL 92 Ca 0.00 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2avu h VAL 92 Cb 0.00 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2avu h VAL 92 CO 0.00 0.39 0.22 -0.78 0.02 0.00 0.00 177.57 177.41 2avu h ASP 93 N 0.68 1.02 -0.74 0.57 1.82 -1.94 -2.01 116.42 115.83 2avu h ASP 93 Ca 0.12 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.50 2avu h ASP 93 Cb 0.56 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 2avu h ASP 93 CO 0.03 0.96 0.28 0.00 -1.61 0.00 0.00 179.24 178.90 2avu h ALA 94 N 1.10 0.96 -0.81 -0.78 0.00 -1.67 -0.66 119.26 117.40 2avu h ALA 94 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2avu h ALA 94 Cb 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2avu h ALA 94 CO -0.01 0.60 0.50 0.28 0.00 0.00 0.00 179.25 180.62 2avu h VAL 95 N 1.07 1.23 -0.03 0.00 2.07 -0.75 0.70 116.25 120.54 2avu h VAL 95 Ca 0.24 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2avu h VAL 95 Cb 0.24 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2avu h VAL 95 CO -0.02 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.19 2avu h ILE 96 N 1.11 1.33 -0.85 4.57 2.04 -0.99 -0.56 117.51 124.17 2avu h ILE 96 Ca 0.29 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2avu h ILE 96 Cb -0.05 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 2avu h ILE 96 CO -0.06 0.27 0.56 0.11 0.00 0.00 0.00 178.15 179.03 2avu h LYS 97 N -0.35 1.00 -0.08 2.37 1.57 -0.93 0.90 116.57 121.05 2avu h LYS 97 Ca 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2avu h LYS 97 Cb 0.44 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2avu h LYS 97 CO 0.00 0.66 -0.02 0.00 -0.57 0.00 0.00 179.45 179.52 2avu h ALA 98 N 1.51 0.12 -0.59 3.86 0.00 -0.81 -2.29 119.26 121.06 2avu h ALA 98 Ca 0.34 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2avu h ALA 98 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2avu h ALA 98 CO -0.11 -0.15 0.39 -0.92 0.00 0.00 0.00 179.25 178.46 2avu h TYR 99 N -0.18 0.71 -0.48 0.00 3.20 -0.51 0.79 116.97 120.50 2avu h TYR 99 Ca 0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2avu h TYR 99 Cb 0.44 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2avu h TYR 99 CO 0.06 0.43 0.12 0.00 -1.64 0.00 0.00 178.16 177.13 2avu h ARG 100 N 0.75 0.77 -0.38 1.82 2.47 -0.74 -0.53 114.38 118.54 2avu h ARG 100 Ca 0.22 -0.18 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 2avu h ARG 100 Cb -0.02 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 2avu h ARG 100 CO -0.05 0.74 -0.16 -0.07 0.56 0.00 0.00 179.97 180.99 2avu h LEU 101 N 0.65 0.70 -0.89 3.04 3.38 -0.75 -1.91 115.31 119.53 2avu h LEU 101 Ca 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2avu h LEU 101 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2avu h LEU 101 CO 0.00 0.87 0.58 0.22 0.09 0.00 0.00 178.44 180.20 2avu h TYR 102 N 0.63 1.13 -0.59 1.13 3.20 -0.47 -1.01 116.97 121.00 2avu h TYR 102 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2avu h TYR 102 Cb 0.63 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2avu h TYR 102 CO 0.03 0.72 0.23 -0.07 -1.64 0.00 0.00 178.16 177.43 2avu h LEU 103 N 1.22 0.82 -0.18 2.82 3.38 -0.34 0.38 115.31 123.39 2avu h LEU 103 Ca 0.33 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2avu h LEU 103 Cb -0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2avu h LEU 103 CO -0.07 0.77 0.08 -0.33 0.09 0.00 0.00 178.44 178.98 2avu h GLU 104 N 0.81 0.18 -0.47 1.13 5.08 -0.84 -2.36 114.58 118.11 2avu h GLU 104 Ca 0.20 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2avu h GLU 104 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2avu h GLU 104 CO -0.02 0.12 0.11 0.37 -1.00 0.00 0.00 179.01 178.59 2avu h GLN 105 N 0.18 0.71 -6.59 2.33 5.75 -0.88 -3.44 115.11 113.18 2avu h GLN 105 Ca 0.08 -0.13 -0.53 0.00 -0.15 0.00 0.00 58.65 57.91 2avu h GLN 105 Cb 0.02 -0.11 0.03 0.00 1.07 0.00 0.00 27.48 28.49 2avu h GLN 105 CO -0.06 0.65 0.69 0.00 -2.65 0.00 0.00 178.83 177.46 2avu n PRO 107 N 3.50 0.11 -0.32 0.00 -0.02 -1.26 -4.87 135.00 132.14 2avu n PRO 107 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2avu n PRO 107 Cb 0.43 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2avu n PRO 107 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2avu n GLN 108 N -0.47 0.00 0.00 -0.52 1.13 -1.26 -4.91 117.38 111.35 2avu n GLN 108 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2avu n GLN 108 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2avu n GLN 108 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2avu n ALA 109 N 0.14 0.00 -1.47 -1.58 0.00 -1.26 -5.00 120.51 111.34 2avu n ALA 109 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2avu n ALA 109 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2avu n ALA 109 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2avu s GLU 110 N 3.89 2.01 -0.25 0.00 0.41 -1.26 -3.37 118.70 120.12 2avu s GLU 110 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2avu s GLU 110 Cb 0.00 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 2avu s GLU 110 CO 0.00 -1.70 0.00 0.39 -0.49 0.00 0.00 175.26 173.46 2avu n GLU 111 N -3.50 -1.58 -0.08 1.61 1.02 -1.26 -4.69 120.64 112.15 2avu n GLU 111 Ca 0.07 0.50 0.01 0.00 -0.02 0.00 0.00 57.16 57.73 2avu n GLU 111 Cb 0.56 -4.73 -0.00 0.00 -0.02 0.00 0.00 31.44 27.24 2avu n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2avu n GLY 112 N 0.13 -2.16 3.77 0.62 0.00 -1.22 -4.86 105.19 101.48 2avu n GLY 112 Ca -0.02 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.72 4.23 0.22 1.61 0.04 -1.26 -4.41 135.00 134.70 2avu s PRO 113 Ca 0.00 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 2avu s PRO 113 Cb 0.00 -2.81 0.33 0.00 0.04 0.00 0.00 34.50 32.06 2avu s PRO 113 CO 0.00 -0.16 1.76 1.25 0.04 0.00 0.00 177.00 179.89 2avu h LEU 114 N 2.95 0.34 -8.47 -3.56 6.46 -1.92 -3.35 115.31 107.75 2avu h LEU 114 Ca -0.48 0.07 -0.67 0.00 -0.12 0.00 0.00 57.88 56.69 2avu h LEU 114 Cb 1.23 0.03 -0.16 0.00 -0.73 0.00 0.00 40.66 41.02 2avu h LEU 114 CO 0.64 0.19 0.12 -0.22 -0.62 0.00 0.00 178.44 178.54 2avu s LEU 115 N -10.37 4.71 0.58 2.25 0.20 -1.26 -5.04 118.68 109.74 2avu s LEU 115 Ca -0.13 -0.65 -0.16 0.00 0.69 0.00 0.00 54.13 53.88 2avu s LEU 115 Cb 0.18 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 2avu s LEU 115 CO 0.76 -0.88 1.06 0.00 -0.29 0.00 0.00 176.35 177.00 2avu s ALA 116 N 2.82 2.76 0.13 5.97 0.00 -1.26 -4.87 121.76 127.30 2avu s ALA 116 Ca 0.19 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2avu s ALA 116 Cb -0.17 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2avu s ALA 116 CO 0.15 -0.74 1.63 1.25 0.00 0.00 0.00 175.76 178.05 2avu h LEU 117 N 0.62 -0.79 -1.65 0.00 6.46 -1.91 -1.56 115.31 116.48 2avu h LEU 117 Ca -0.47 0.12 0.17 0.00 -0.12 0.00 0.00 57.88 57.57 2avu h LEU 117 Cb 1.22 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 41.44 2avu h LEU 117 CO 0.58 -0.31 0.51 0.74 -0.62 0.00 0.00 178.44 179.33 2avu h THR 118 N -0.35 0.75 0.11 1.05 2.02 -1.91 0.44 112.91 115.02 2avu h THR 118 Ca 0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2avu h THR 118 Cb 0.48 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2avu h THR 118 CO -0.29 0.06 -0.05 -0.09 0.37 0.00 0.00 175.52 175.52 2avu h ARG 119 N 0.33 -0.14 -0.79 6.66 1.12 -1.68 -1.63 114.38 118.25 2avu h ARG 119 Ca 0.37 0.01 0.14 0.00 -1.11 0.00 0.00 59.98 59.39 2avu h ARG 119 Cb 0.99 0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.92 2avu h ARG 119 CO -0.11 0.29 0.52 0.00 -3.11 0.00 0.00 179.97 177.57 2avu h ALA 120 N 0.17 1.98 -0.30 2.80 0.00 -0.61 0.32 119.26 123.62 2avu h ALA 120 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2avu h ALA 120 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2avu h ALA 120 CO 0.02 -0.18 0.18 2.35 0.00 0.00 0.00 179.25 181.63 2avu h TRP 121 N 0.54 0.35 -0.97 0.00 7.01 -0.78 -0.83 115.95 121.26 2avu h TRP 121 Ca 0.39 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.45 2avu h TRP 121 Cb 0.74 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.62 2avu h TRP 121 CO -0.00 0.21 0.63 1.15 -2.79 0.00 0.00 178.44 177.63 2avu h THR 122 N 0.38 1.12 -0.96 2.65 2.02 0.53 0.68 112.91 119.33 2avu h THR 122 Ca 0.11 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2avu h THR 122 Cb -0.02 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.18 2avu h THR 122 CO -0.04 0.21 0.63 0.25 0.37 0.00 0.00 175.52 176.94 2avu h LEU 123 N 1.17 1.02 -0.62 2.58 7.12 0.25 0.11 115.31 126.95 2avu h LEU 123 Ca 0.40 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 58.33 2avu h LEU 123 Cb 0.09 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 2avu h LEU 123 CO -0.15 0.69 0.07 0.58 -0.13 0.00 0.00 178.44 179.50 2avu h VAL 124 N 1.18 1.26 0.49 1.05 2.07 0.40 0.67 116.25 123.36 2avu h VAL 124 Ca 0.39 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2avu h VAL 124 Cb 0.06 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2avu h VAL 124 CO -0.13 0.39 -0.25 0.03 0.02 0.00 0.00 177.57 177.63 2avu h ARG 125 N 0.96 -0.66 0.32 1.57 2.47 0.29 -0.65 114.38 118.68 2avu h ARG 125 Ca 0.19 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2avu h ARG 125 Cb 0.47 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 2avu h ARG 125 CO 0.02 -0.44 -0.42 0.74 0.56 0.00 0.00 179.97 180.43 2avu h PHE 126 N -0.68 -1.17 -0.89 3.04 -1.00 -0.71 0.12 116.94 115.65 2avu h PHE 126 Ca -0.06 0.02 0.14 0.00 2.81 0.00 0.00 57.97 60.88 2avu h PHE 126 Cb 0.54 0.47 -0.07 0.00 3.61 0.00 0.00 35.95 40.50 2avu h PHE 126 CO -0.06 -0.56 0.57 0.28 -1.61 0.00 0.00 178.31 176.94 2avu h VAL 127 N -0.79 0.83 -0.01 -0.55 2.07 -0.78 -1.13 116.25 115.90 2avu h VAL 127 Ca -0.02 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 2avu h VAL 127 Cb 0.73 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2avu h VAL 127 CO -0.13 0.13 -0.75 -0.33 0.02 0.00 0.00 177.57 176.51 2avu h GLU 128 N 0.69 0.06 -0.98 1.57 5.08 -0.57 -3.25 114.58 117.18 2avu h GLU 128 Ca 0.45 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 58.41 2avu h GLU 128 Cb 0.72 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 29.78 2avu h GLU 128 CO -0.20 0.78 0.44 -1.13 -1.00 0.00 0.00 179.01 177.89 2avu n SER 129 N -3.69 3.61 0.00 1.42 3.41 0.38 -4.91 113.62 113.85 2avu n SER 129 Ca -0.01 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 2avu n SER 129 Cb 0.72 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2avu n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2avu n GLY 130 N -0.60 2.48 3.86 5.00 0.00 -1.15 -4.98 105.19 109.80 2avu n GLY 130 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 2avu n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2avu s LEU 131 N 0.00 3.91 0.47 0.99 1.43 -1.08 -4.49 118.68 119.90 2avu s LEU 131 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2avu s LEU 131 Cb 0.00 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.11 2avu s LEU 131 CO 0.00 -0.34 0.00 0.18 0.23 0.00 0.00 176.35 176.42 2avu n LEU 132 N -0.93 -3.42 -3.82 1.79 4.32 -1.26 -3.05 117.00 110.63 2avu n LEU 132 Ca 0.03 3.01 -0.06 0.00 -0.02 0.00 0.00 56.01 58.98 2avu n LEU 132 Cb 0.54 -2.89 0.01 0.00 -1.62 0.00 0.00 43.42 39.45 2avu n LEU 132 CO 0.44 0.12 0.65 -1.58 -1.22 0.00 0.00 177.39 175.80 2avu s GLN 133 N -3.36 1.64 0.04 3.23 -0.44 0.39 -4.22 119.66 116.95 2avu s GLN 133 Ca 0.00 -1.00 -0.14 0.00 -2.50 0.00 0.00 55.36 51.72 2avu s GLN 133 Cb 0.00 0.50 -0.06 0.00 -1.64 0.00 0.00 33.01 31.81 2avu s GLN 133 CO 0.00 -0.76 0.44 -0.51 0.50 0.00 0.00 175.29 174.96 2avu s LEU 134 N -3.10 4.44 -0.00 3.68 1.43 -1.26 -0.05 118.68 123.81 2avu s LEU 134 Ca 0.16 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2avu s LEU 134 Cb -0.04 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2avu s LEU 134 CO 0.07 0.26 -0.01 -0.44 0.23 0.00 0.00 176.35 176.46 2avu s SER 135 N -1.29 0.14 -0.09 2.29 0.01 -0.13 -4.88 113.70 109.76 2avu s SER 135 Ca 0.28 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.22 2avu s SER 135 Cb -0.16 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2avu s SER 135 CO 0.16 0.01 1.15 -0.44 0.41 0.00 0.00 173.24 174.53 2avu s SER 136 N 0.03 7.09 0.39 2.44 0.01 -1.26 -1.85 113.70 120.54 2avu s SER 136 Ca -0.00 1.72 -0.27 0.00 1.31 0.00 0.00 55.95 58.71 2avu s SER 136 Cb -0.01 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 2avu s SER 136 CO -0.00 -0.57 1.40 0.00 0.41 0.00 0.00 173.24 174.47 2avu h ASN 138 N 2.83 0.74 0.00 0.00 2.35 -1.92 -3.38 115.58 116.20 2avu h ASN 138 Ca -0.50 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2avu h ASN 138 Cb 1.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2avu h ASN 138 CO 0.63 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.99 2avu n GLY 141 N 2.47 -0.31 3.67 0.00 0.00 -1.26 -3.57 105.19 106.19 2avu n GLY 141 Ca 0.05 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2avu n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avu n GLY 142 N -0.79 -0.12 3.74 -0.02 0.00 -1.26 -4.39 105.19 102.34 2avu n GLY 142 Ca 0.03 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2avu n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2avu s ASN 143 N -1.95 6.95 0.06 1.61 0.01 -1.26 -2.28 114.94 118.08 2avu s ASN 143 Ca 0.74 1.13 0.03 0.00 -0.71 0.00 0.00 52.86 54.05 2avu s ASN 143 Cb -0.31 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 2avu s ASN 143 CO 0.50 0.01 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.65 2avu s PHE 144 N 0.26 0.89 0.23 2.20 0.40 -0.77 -4.85 117.98 116.34 2avu s PHE 144 Ca 0.33 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.82 2avu s PHE 144 Cb -0.18 -0.51 -0.10 0.00 0.51 0.00 0.00 43.02 42.75 2avu s PHE 144 CO 0.17 -0.04 1.38 0.42 0.70 0.00 0.00 175.22 177.85 2avu s ILE 145 N -1.62 2.88 0.35 0.64 1.09 -1.26 -0.95 121.20 122.33 2avu s ILE 145 Ca -0.04 0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 60.22 2avu s ILE 145 Cb -0.08 -3.47 0.01 0.00 -1.06 0.00 0.00 42.46 37.86 2avu s ILE 145 CO 0.01 0.12 0.50 0.35 -0.10 0.00 0.00 174.94 175.81 2avu n THR 146 N 2.41 0.00 -2.70 2.92 -2.24 0.92 -4.91 114.28 110.68 2avu n THR 146 Ca 0.06 -1.71 -0.35 0.00 -2.27 0.00 0.00 64.05 59.78 2avu n THR 146 Cb 0.41 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 2avu n THR 146 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2avu s HIS 147 N -2.92 3.32 0.46 4.78 3.76 -1.26 -0.46 115.29 122.97 2avu s HIS 147 Ca 0.28 1.65 -0.24 0.00 -0.15 0.00 0.00 55.06 56.60 2avu s HIS 147 Cb -0.01 -2.96 -0.09 0.00 1.11 0.00 0.00 32.58 30.63 2avu s HIS 147 CO 0.20 -0.28 1.17 0.00 -0.85 0.00 0.00 174.74 174.97 2avu n ALA 148 N -0.35 0.86 -2.80 -1.40 0.00 -1.26 -3.84 120.51 111.72 2avu n ALA 148 Ca 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 2avu n ALA 148 Cb 0.52 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.61 -3.68 -4.03 0.00 8.25 -1.26 -4.87 115.22 109.02 2avu n HIS 149 Ca 0.09 1.54 -0.33 0.00 -0.26 0.00 0.00 57.72 58.76 2avu n HIS 149 Cb 0.41 -4.07 -0.15 0.00 1.12 0.00 0.00 29.99 27.30 2avu n HIS 149 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2avu s GLN 150 N -2.25 2.58 0.00 -0.41 -1.52 -1.25 -5.03 119.66 111.79 2avu s GLN 150 Ca 0.16 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 2avu s GLN 150 Cb -0.04 -2.89 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 2avu s GLN 150 CO 0.77 -0.46 0.00 -2.30 -0.25 0.00 0.00 175.29 173.06 2avu n PRO 151 N 4.56 0.00 0.00 2.91 -0.02 -1.26 -4.66 135.00 136.53 2avu n PRO 151 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2avu n PRO 151 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2avu n PRO 151 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2avu n VAL 152 N 0.00 0.00 -2.02 -1.45 0.31 -1.26 -5.05 118.33 108.86 2avu n VAL 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2avu n VAL 152 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 1.57 2.05 2.92 0.00 -1.26 -4.73 105.19 105.74 2avu n GLY 153 Ca 0.00 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.81 -3.16 0.00 1.61 3.41 -1.26 -4.98 113.62 108.42 2avu n SER 154 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2avu n SER 154 Cb 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2avu n SER 154 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2avu n PHE 155 N -2.95 0.00 -1.84 7.33 -0.00 -1.26 -5.02 117.46 113.72 2avu n PHE 155 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 2avu n PHE 155 Cb 0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.48 39.47 2avu n PHE 155 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2avu n ALA 156 N -1.12 -3.17 -1.76 3.13 0.00 -1.26 -4.85 120.51 111.48 2avu n ALA 156 Ca 0.00 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 2avu n ALA 156 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 19.45 18.78 2avu n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avu n SER 158 N -0.81 -0.85 -0.30 0.00 2.88 -1.26 -0.21 113.62 113.07 2avu n SER 158 Ca 0.09 1.62 -0.05 0.00 -1.33 0.00 0.00 58.87 59.21 2avu n SER 158 Cb 0.47 -0.26 0.07 0.00 -0.75 0.00 0.00 64.21 63.74 2avu n SER 158 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2avu h LEU 159 N 0.00 1.07 0.00 2.46 3.38 -1.92 -3.53 115.31 116.78 2avu h LEU 159 Ca 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2avu h LEU 159 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2avu h LEU 159 CO -0.88 0.90 0.00 0.00 0.09 0.00 0.00 178.44 178.55