#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n24 n GLN 42 N 0.00 0.20 -0.09 0.00 7.27 -1.26 -1.53 117.38 121.97 3n24 n GLN 42 Ca 0.00 0.15 -0.12 0.00 0.07 0.00 0.00 57.00 57.10 3n24 n GLN 42 Cb 0.00 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 3n24 n GLN 42 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3n24 h GLU 43 N 0.00 0.50 -0.01 3.69 3.07 -2.07 -3.02 114.58 116.74 3n24 h GLU 43 Ca 0.00 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.36 58.55 3n24 h GLU 43 Cb 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3n24 h GLU 43 CO 0.00 0.72 -0.56 1.96 -1.40 0.00 0.00 179.01 179.74 3n24 h GLN 44 N 0.24 0.03 -0.40 2.33 1.08 -1.78 -1.73 115.11 114.88 3n24 h GLN 44 Ca 0.06 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3n24 h GLN 44 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3n24 h GLN 44 CO 0.03 0.58 0.00 0.54 -0.95 0.00 0.00 178.83 179.03 3n24 n ARG 45 N -3.88 0.21 0.00 1.46 5.12 -1.09 -1.48 116.66 117.00 3n24 n ARG 45 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3n24 n ARG 45 Cb 0.57 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 3n24 n ARG 45 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3n24 n SER 47 N 0.45 0.00 -0.10 0.55 7.64 -0.65 -2.47 113.62 119.04 3n24 n SER 47 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3n24 n SER 47 Cb 0.06 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3n24 n SER 47 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3n24 h HIS 48 N 0.00 0.63 -0.14 1.43 -0.00 -1.54 0.13 115.15 115.66 3n24 h HIS 48 Ca 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 3n24 h HIS 48 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3n24 h HIS 48 CO 0.00 0.72 0.07 0.45 -0.00 0.00 0.00 177.93 179.17 3n24 h HIS 49 N 0.35 0.20 -0.77 2.45 3.86 -1.77 -1.63 115.15 117.85 3n24 h HIS 49 Ca 0.08 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3n24 h HIS 49 Cb 0.50 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 3n24 h HIS 49 CO 0.04 0.23 0.44 1.88 0.86 0.00 0.00 177.93 181.39 3n24 h TYR 50 N 0.10 0.81 -0.41 2.45 0.05 -1.84 -1.07 116.97 117.06 3n24 h TYR 50 Ca 0.05 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.94 3n24 h TYR 50 Cb 0.11 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 37.52 3n24 h TYR 50 CO -0.03 0.38 -0.12 0.00 -1.05 0.00 0.00 178.16 177.33 3n24 h ALA 51 N 1.40 0.24 -0.93 3.88 0.00 -0.35 0.92 119.26 124.40 3n24 h ALA 51 Ca 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3n24 h ALA 51 Cb 0.24 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3n24 h ALA 51 CO -0.20 -0.47 0.55 1.15 0.00 0.00 0.00 179.25 180.28 3n24 h THR 52 N -0.03 1.26 -0.67 0.00 2.02 -0.41 -0.89 112.91 114.19 3n24 h THR 52 Ca 0.20 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.87 3n24 h THR 52 Cb 0.33 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 3n24 h THR 52 CO -0.43 0.28 0.35 0.40 0.37 0.00 0.00 175.52 176.48 3n24 h ILE 53 N 1.29 0.91 -0.58 3.11 2.04 -0.19 -1.54 117.51 122.56 3n24 h ILE 53 Ca 0.33 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3n24 h ILE 53 Cb -0.03 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 3n24 h ILE 53 CO -0.06 0.11 0.27 -0.33 0.00 0.00 0.00 178.15 178.14 3n24 h GLU 54 N 0.63 0.48 -0.56 2.37 5.08 0.40 -0.84 114.58 122.14 3n24 h GLU 54 Ca 0.31 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3n24 h GLU 54 Cb 0.26 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3n24 h GLU 54 CO -0.22 0.32 0.37 0.28 -1.00 0.00 0.00 179.01 178.76 3n24 h VAL 55 N 0.50 1.14 -0.13 3.13 2.07 -0.79 -2.44 116.25 119.73 3n24 h VAL 55 Ca 0.27 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3n24 h VAL 55 Cb 0.24 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3n24 h VAL 55 CO -0.22 0.14 -0.43 0.77 0.02 0.00 0.00 177.57 177.84 3n24 h SER 56 N 0.75 0.32 -0.46 0.57 4.64 -0.81 -1.43 113.55 117.12 3n24 h SER 56 Ca 0.20 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3n24 h SER 56 Cb -0.09 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3n24 h SER 56 CO -0.04 0.71 0.02 1.56 -0.87 0.00 0.00 176.83 178.21 3n24 h GLN 57 N 0.25 0.80 -0.29 4.77 1.08 -1.00 -1.24 115.11 119.47 3n24 h GLN 57 Ca 0.02 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 56.92 3n24 h GLN 57 Cb 0.87 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 3n24 h GLN 57 CO 0.07 0.85 -0.03 1.96 -0.95 0.00 0.00 178.83 180.73 3n24 h GLN 58 N 0.66 0.53 -0.78 1.46 4.20 -1.29 -1.05 115.11 118.84 3n24 h GLN 58 Ca 0.13 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3n24 h GLN 58 Cb 0.47 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3n24 h GLN 58 CO 0.02 0.70 0.44 -0.07 -0.67 0.00 0.00 178.83 179.25 3n24 h LEU 59 N 0.31 0.97 -1.14 1.46 3.38 -1.22 -0.79 115.31 118.27 3n24 h LEU 59 Ca 0.08 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3n24 h LEU 59 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3n24 h LEU 59 CO 0.02 0.78 -0.17 0.03 0.09 0.00 0.00 178.44 179.19 3n24 h ARG 60 N 1.08 0.39 -0.25 1.13 3.08 -1.05 0.61 114.38 119.37 3n24 h ARG 60 Ca 0.28 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3n24 h ARG 60 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3n24 h ARG 60 CO -0.05 0.56 -0.08 0.37 -1.07 0.00 0.00 179.97 179.71 3n24 h GLN 61 N 0.36 0.50 -0.42 0.04 4.15 -0.71 -0.75 115.11 118.29 3n24 h GLN 61 Ca 0.06 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 3n24 h GLN 61 Cb 0.52 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3n24 h GLN 61 CO 0.03 0.73 0.08 -0.07 -1.93 0.00 0.00 178.83 177.68 3n24 h LEU 62 N 0.24 0.58 -0.22 -2.39 3.38 -0.90 0.26 115.31 116.26 3n24 h LEU 62 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3n24 h LEU 62 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3n24 h LEU 62 CO 0.03 0.60 0.04 0.25 0.09 0.00 0.00 178.44 179.45 3n24 h LEU 63 N 0.61 0.35 -1.14 1.67 5.85 -0.80 -2.07 115.31 119.78 3n24 h LEU 63 Ca 0.14 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3n24 h LEU 63 Cb 0.26 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3n24 h LEU 63 CO -0.00 0.51 0.58 1.23 -0.34 0.00 0.00 178.44 180.42 3n24 h GLY 64 N 0.18 1.27 0.92 3.75 0.00 -0.74 -1.85 103.07 106.59 3n24 h GLY 64 Ca 0.07 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3n24 h GLY 64 CO 0.00 0.39 0.41 -0.55 0.00 0.00 0.00 176.54 176.79 3n24 h ASP 65 N 1.13 0.68 -0.39 0.19 3.32 -0.22 -1.79 116.42 119.33 3n24 h ASP 65 Ca 0.35 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 3n24 h ASP 65 Cb -0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3n24 h ASP 65 CO -0.10 0.48 -0.14 1.56 -1.72 0.00 0.00 179.24 179.32 3n24 h GLN 66 N 0.81 0.86 -0.10 3.56 4.20 -0.74 -2.05 115.11 121.64 3n24 h GLN 66 Ca 0.25 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3n24 h GLN 66 Cb -0.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3n24 h GLN 66 CO -0.08 0.94 0.05 -0.07 -0.67 0.00 0.00 178.83 179.00 3n24 h LEU 67 N 0.77 0.13 -0.71 1.46 -0.00 -1.01 0.03 115.31 115.98 3n24 h LEU 67 Ca 0.12 -0.09 0.12 0.00 -0.00 0.00 0.00 57.88 58.03 3n24 h LEU 67 Cb 0.65 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.19 3n24 h LEU 67 CO 0.05 0.19 0.28 0.58 -0.00 0.00 0.00 178.44 179.53 3n24 h VAL 68 N 0.06 0.71 -0.50 1.22 2.07 -1.12 0.51 116.25 119.21 3n24 h VAL 68 Ca 0.04 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3n24 h VAL 68 Cb 0.09 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3n24 h VAL 68 CO -0.01 0.08 0.15 0.40 0.02 0.00 0.00 177.57 178.22 3n24 h ILE 69 N 0.45 1.23 0.00 4.57 2.04 -0.80 -2.97 117.51 122.03 3n24 h ILE 69 Ca 0.37 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3n24 h ILE 69 Cb 0.52 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3n24 h ILE 69 CO -0.36 0.28 -0.23 -0.07 0.00 0.00 0.00 178.15 177.78 3n24 h LEU 70 N 0.67 0.00 0.00 1.44 3.38 0.39 -2.86 115.31 118.33 3n24 h LEU 70 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3n24 h LEU 70 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3n24 h LEU 70 CO -0.00 0.23 -0.15 0.18 0.09 0.00 0.00 178.44 178.78 3n24 n LEU 71 N -3.21 0.33 -4.75 1.67 4.77 0.17 -4.85 117.00 111.12 3n24 n LEU 71 Ca 0.02 0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 56.08 3n24 n LEU 71 Cb 0.56 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3n24 n LEU 71 CO 0.35 -0.02 0.72 -0.13 -1.33 0.00 0.00 177.39 176.99 3n24 s ARG 72 N -3.04 2.25 0.21 3.23 0.52 -1.08 -4.46 118.95 116.58 3n24 s ARG 72 Ca 0.12 1.38 -0.09 0.00 -0.52 0.00 0.00 55.73 56.62 3n24 s ARG 72 Cb 0.17 -1.88 0.23 0.00 0.52 0.00 0.00 34.95 33.99 3n24 s ARG 72 CO 0.59 -1.68 1.84 1.49 0.02 0.00 0.00 175.30 177.56 3n24 h GLU 73 N -0.72 0.81 -2.96 3.54 4.81 -1.80 -3.34 114.58 114.91 3n24 h GLU 73 Ca -0.45 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.12 3n24 h GLU 73 Cb 1.25 -0.18 -0.41 0.00 0.63 0.00 0.00 28.75 30.04 3n24 h GLU 73 CO 0.51 0.53 -0.70 0.99 -0.73 0.00 0.00 179.01 179.61 3n24 s THR 74 N -6.10 2.00 0.17 0.32 2.01 -1.26 -4.74 115.64 108.04 3n24 s THR 74 Ca -0.13 -3.42 -0.33 0.00 0.31 0.00 0.00 61.69 58.13 3n24 s THR 74 Cb 0.16 -2.35 -0.15 0.00 0.01 0.00 0.00 72.50 70.17 3n24 s THR 74 CO 0.77 -0.99 1.22 -2.65 -0.69 0.00 0.00 174.62 172.28 3n24 n PRO 75 N 2.68 1.30 -2.98 4.92 -0.02 -1.25 -4.89 135.00 134.75 3n24 n PRO 75 Ca 0.17 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 3n24 n PRO 75 Cb 0.37 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3n24 n PRO 75 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3n24 s ASP 76 N 0.11 6.34 0.30 2.55 -1.08 -1.26 -4.91 116.67 118.71 3n24 s ASP 76 Ca 0.74 -0.39 -0.02 0.00 -0.52 0.00 0.00 52.55 52.36 3n24 s ASP 76 Cb -0.83 -2.37 0.45 0.00 -1.46 0.00 0.00 42.92 38.70 3n24 s ASP 76 CO 0.51 -1.00 1.96 1.23 0.52 0.00 0.00 175.17 178.39 3n24 h GLY 77 N 10.28 1.14 0.76 2.66 0.00 -1.98 -2.07 103.07 113.86 3n24 h GLY 77 Ca -0.26 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 3n24 h GLY 77 CO 1.00 0.43 -0.00 1.46 0.00 0.00 0.00 176.54 179.42 3n24 h GLN 78 N 1.09 -0.00 -0.71 4.80 1.08 -2.00 -2.50 115.11 116.87 3n24 h GLN 78 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3n24 h GLN 78 Cb -0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 3n24 h GLN 78 CO -0.06 0.23 0.46 0.00 -0.95 0.00 0.00 178.83 178.51 3n24 h ALA 79 N 0.76 1.48 -0.48 3.87 0.00 -1.94 -2.51 119.26 120.43 3n24 h ALA 79 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3n24 h ALA 79 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3n24 h ALA 79 CO 0.00 0.48 0.22 1.25 0.00 0.00 0.00 179.25 181.20 3n24 h LEU 80 N 0.97 0.64 -1.02 0.00 5.85 -1.25 -1.92 115.31 118.57 3n24 h LEU 80 Ca 0.26 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3n24 h LEU 80 Cb -0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3n24 h LEU 80 CO -0.05 0.60 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.52 3n24 h GLU 81 N 0.63 0.64 -0.37 1.25 4.22 -1.22 -0.02 114.58 119.71 3n24 h GLU 81 Ca 0.16 -0.17 -0.06 0.00 0.08 0.00 0.00 59.36 59.37 3n24 h GLU 81 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3n24 h GLU 81 CO -0.02 0.70 0.01 0.00 -2.18 0.00 0.00 179.01 177.52 3n24 h ARG 82 N 0.60 0.65 -0.82 1.92 3.08 -1.16 -1.37 114.38 117.29 3n24 h ARG 82 Ca 0.12 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3n24 h ARG 82 Cb 0.45 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3n24 h ARG 82 CO 0.02 0.75 0.40 1.03 -1.07 0.00 0.00 179.97 181.11 3n24 h SER 83 N 0.47 1.05 -0.44 7.04 0.87 -0.90 0.05 113.55 121.69 3n24 h SER 83 Ca 0.11 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 3n24 h SER 83 Cb 0.45 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3n24 h SER 83 CO 0.02 0.88 -0.14 1.56 -0.53 0.00 0.00 176.83 178.61 3n24 h GLN 84 N 1.16 0.93 -0.42 2.24 4.20 -0.77 0.28 115.11 122.72 3n24 h GLN 84 Ca 0.28 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3n24 h GLN 84 Cb 0.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3n24 h GLN 84 CO -0.04 1.00 0.07 -0.97 -0.67 0.00 0.00 178.83 178.23 3n24 h ASN 85 N 0.82 0.67 -0.11 1.46 -0.73 -1.07 -0.91 115.58 115.70 3n24 h ASN 85 Ca 0.12 -0.26 0.01 0.00 1.87 0.00 0.00 56.30 58.05 3n24 h ASN 85 Cb 0.69 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 3n24 h ASN 85 CO 0.05 0.76 0.03 0.44 -0.37 0.00 0.00 177.43 178.34 3n24 h ASP 86 N 0.55 0.04 -0.37 1.15 3.32 -0.62 -0.25 116.42 120.23 3n24 h ASP 86 Ca 0.13 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.27 3n24 h ASP 86 Cb 0.37 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 3n24 h ASP 86 CO 0.01 0.04 -0.12 0.15 -1.72 0.00 0.00 179.24 177.60 3n24 h PHE 87 N 0.09 -0.26 -0.71 4.55 3.57 -0.24 0.16 116.94 124.10 3n24 h PHE 87 Ca 0.05 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3n24 h PHE 87 Cb 0.03 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3n24 h PHE 87 CO -0.11 -0.19 0.43 0.00 -2.23 0.00 0.00 178.31 176.22 3n24 h ARG 88 N -0.03 0.80 -0.03 1.11 3.08 -0.90 0.55 114.38 118.95 3n24 h ARG 88 Ca 0.18 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3n24 h ARG 88 Cb 0.31 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3n24 h ARG 88 CO -0.40 0.53 -0.00 -0.09 -1.07 0.00 0.00 179.97 178.94 3n24 h ARG 89 N 0.82 0.05 -0.57 0.04 2.43 -0.22 -1.10 114.38 115.82 3n24 h ARG 89 Ca 0.30 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3n24 h ARG 89 Cb 0.08 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3n24 h ARG 89 CO -0.13 0.38 0.30 0.28 -1.51 0.00 0.00 179.97 179.28 3n24 h VAL 90 N -0.27 0.95 0.11 0.20 2.07 -0.46 -1.89 116.25 116.96 3n24 h VAL 90 Ca 0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3n24 h VAL 90 Cb 0.35 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3n24 h VAL 90 CO 0.00 0.10 -0.06 0.25 0.02 0.00 0.00 177.57 177.89 3n24 h LEU 91 N 0.57 -0.13 -0.31 2.57 5.85 -0.75 -1.33 115.31 121.78 3n24 h LEU 91 Ca 0.26 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3n24 h LEU 91 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3n24 h LEU 91 CO -0.17 -0.03 0.13 -0.33 -0.34 0.00 0.00 178.44 177.70 3n24 h GLU 92 N -0.22 0.47 -0.89 1.25 5.08 -1.03 0.73 114.58 119.96 3n24 h GLU 92 Ca -0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3n24 h GLU 92 Cb 0.18 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3n24 h GLU 92 CO 0.03 0.48 0.59 0.37 -1.00 0.00 0.00 179.01 179.47 3n24 h GLN 93 N 0.36 1.15 -0.37 2.33 5.75 -1.36 -0.58 115.11 122.39 3n24 h GLN 93 Ca 0.10 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3n24 h GLN 93 Cb 0.18 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3n24 h GLN 93 CO -0.01 0.76 0.06 0.78 -2.65 0.00 0.00 178.83 177.77 3n24 h GLY 94 N 1.19 0.67 0.94 2.39 0.00 -0.44 -0.73 103.07 107.09 3n24 h GLY 94 Ca 0.33 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3n24 h GLY 94 CO -0.08 0.42 -0.21 3.21 0.00 0.00 0.00 176.54 179.87 3n24 h ARG 95 N 0.46 -0.54 -0.50 4.80 3.08 -0.65 -2.21 114.38 118.81 3n24 h ARG 95 Ca 0.11 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.35 3n24 h ARG 95 Cb 0.37 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3n24 h ARG 95 CO 0.01 -0.36 0.41 0.00 -1.07 0.00 0.00 179.97 178.95 3n24 h ALA 96 N 0.04 2.38 -0.02 0.04 0.00 -0.77 -1.92 119.26 119.01 3n24 h ALA 96 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n24 h ALA 96 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3n24 h ALA 96 CO 0.06 -0.66 -0.11 0.09 0.00 0.00 0.00 179.25 178.62 3n24 n ASN 97 N -4.15 2.57 -4.67 0.00 5.03 -0.31 -4.97 115.26 108.76 3n24 n ASN 97 Ca 0.09 -1.79 -0.42 0.00 0.87 0.00 0.00 54.58 53.33 3n24 n ASN 97 Cb 0.62 0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 39.48 3n24 n ASN 97 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3n24 s THR 98 N -1.93 4.76 -0.09 3.41 2.01 -0.73 -4.97 115.64 118.10 3n24 s THR 98 Ca 0.23 1.93 -0.17 0.00 0.31 0.00 0.00 61.69 64.00 3n24 s THR 98 Cb 0.18 -4.27 -0.28 0.00 0.01 0.00 0.00 72.50 68.14 3n24 s THR 98 CO 0.34 -0.09 0.62 -0.37 -0.69 0.00 0.00 174.62 174.43 3n24 h VAL 99 N 5.31 1.10 -2.64 3.82 -1.51 -1.90 -3.45 116.25 116.98 3n24 h VAL 99 Ca -0.24 -2.43 -0.53 0.00 -1.23 0.00 0.00 66.70 62.27 3n24 h VAL 99 Cb 1.10 2.79 0.04 0.00 -2.13 0.00 0.00 31.29 33.09 3n24 h VAL 99 CO 0.91 0.71 1.03 -0.62 -1.23 0.00 0.00 177.57 178.37 3n24 s ASP 100 N -7.04 6.50 0.29 4.19 2.15 -1.26 -4.91 116.67 116.59 3n24 s ASP 100 Ca -0.19 2.66 0.07 0.00 0.43 0.00 0.00 52.55 55.52 3n24 s ASP 100 Cb 0.04 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.52 3n24 s ASP 100 CO 0.78 -0.94 1.68 0.77 -0.17 0.00 0.00 175.17 177.29 3n24 h SER 101 N 8.06 0.20 0.08 -0.34 4.64 -1.99 -0.24 113.55 123.97 3n24 h SER 101 Ca -0.44 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.68 3n24 h SER 101 Cb 1.21 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3n24 h SER 101 CO 0.94 0.64 -0.36 0.00 -0.87 0.00 0.00 176.83 177.18 3n24 h ALA 102 N 1.37 1.04 0.01 5.18 0.00 -2.00 -2.04 119.26 122.82 3n24 h ALA 102 Ca 0.01 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 3n24 h ALA 102 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3n24 h ALA 102 CO 0.07 0.59 -0.89 0.93 0.00 0.00 0.00 179.25 179.95 3n24 h GLU 103 N 0.33 0.14 -0.10 0.00 5.08 -1.81 -1.34 114.58 116.89 3n24 h GLU 103 Ca 0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3n24 h GLU 103 Cb 0.80 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3n24 h GLU 103 CO 0.06 0.94 0.05 1.96 -1.00 0.00 0.00 179.01 181.03 3n24 h GLN 104 N 0.08 0.13 -0.47 2.33 4.20 -0.90 -1.16 115.11 119.32 3n24 h GLN 104 Ca -0.04 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3n24 h GLN 104 Cb 1.53 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 3n24 h GLN 104 CO 0.13 0.16 -0.11 0.00 -0.67 0.00 0.00 178.83 178.34 3n24 h ALA 105 N 0.97 0.92 -0.72 3.87 0.00 -1.30 -2.02 119.26 120.97 3n24 h ALA 105 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3n24 h ALA 105 Cb 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3n24 h ALA 105 CO -0.01 0.63 0.40 0.00 0.00 0.00 0.00 179.25 180.28 3n24 h ALA 106 N 1.09 0.98 0.00 0.00 0.00 -1.05 -1.27 119.26 119.02 3n24 h ALA 106 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3n24 h ALA 106 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3n24 h ALA 106 CO 0.04 0.07 -0.35 -0.07 0.00 0.00 0.00 179.25 178.94 3n24 h LEU 107 N 0.73 0.00 -0.60 0.00 3.38 -0.71 -1.08 115.31 117.03 3n24 h LEU 107 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 3n24 h LEU 107 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3n24 h LEU 107 CO -0.20 0.35 0.06 0.44 0.09 0.00 0.00 178.44 179.18 3n24 h ASP 108 N 0.00 0.98 -0.80 -0.43 3.32 -0.78 -1.82 116.42 116.89 3n24 h ASP 108 Ca -0.00 -0.28 0.11 0.00 0.02 0.00 0.00 57.03 56.88 3n24 h ASP 108 Cb 0.84 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 3n24 h ASP 108 CO 0.05 1.01 0.42 1.23 -1.72 0.00 0.00 179.24 180.22 3n24 h GLY 109 N 0.91 1.24 1.02 2.75 0.00 -0.35 -2.20 103.07 106.45 3n24 h GLY 109 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3n24 h GLY 109 CO 0.02 0.04 0.08 -2.08 0.00 0.00 0.00 176.54 174.60 3n24 h VAL 110 N 0.66 1.26 -0.11 4.60 2.07 -0.82 -0.71 116.25 123.20 3n24 h VAL 110 Ca 0.41 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3n24 h VAL 110 Cb 0.47 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3n24 h VAL 110 CO -0.30 0.36 -0.08 -0.09 0.02 0.00 0.00 177.57 177.48 3n24 h ARG 111 N 0.83 -0.08 -0.75 1.57 2.43 -1.12 0.59 114.38 117.86 3n24 h ARG 111 Ca 0.17 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3n24 h ARG 111 Cb 0.43 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3n24 h ARG 111 CO 0.01 -0.05 0.45 -0.44 -1.51 0.00 0.00 179.97 178.43 3n24 h ASP 112 N -0.08 0.90 -0.74 -3.80 3.45 -1.15 -1.01 116.42 113.99 3n24 h ASP 112 Ca 0.07 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 3n24 h ASP 112 Cb 0.19 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 3n24 h ASP 112 CO -0.17 0.70 0.27 0.00 -1.57 0.00 0.00 179.24 178.47 3n24 h ALA 113 N 1.24 0.97 -0.71 3.45 0.00 -0.55 -2.92 119.26 120.74 3n24 h ALA 113 Ca 0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3n24 h ALA 113 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3n24 h ALA 113 CO -0.05 0.62 0.26 -0.92 0.00 0.00 0.00 179.25 179.16 3n24 h TYR 114 N 1.08 1.10 -0.95 0.00 3.20 0.95 -1.58 116.97 120.77 3n24 h TYR 114 Ca 0.24 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.04 3n24 h TYR 114 Cb 0.25 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3n24 h TYR 114 CO 0.02 0.86 0.63 -0.07 -1.64 0.00 0.00 178.16 177.96 3n24 h LEU 115 N 1.02 1.06 -0.54 2.82 4.07 -1.16 0.11 115.31 122.69 3n24 h LEU 115 Ca 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 3n24 h LEU 115 Cb 0.24 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3n24 h LEU 115 CO -0.02 0.75 0.30 1.56 -1.08 0.00 0.00 178.44 179.95 3n24 h GLN 116 N 1.25 0.75 -0.43 1.13 1.08 -1.28 -0.81 115.11 116.78 3n24 h GLN 116 Ca 0.37 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3n24 h GLN 116 Cb -0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3n24 h GLN 116 CO -0.10 0.57 0.27 1.25 -0.95 0.00 0.00 178.83 179.87 3n24 h LEU 117 N 0.72 0.51 -1.06 1.46 6.46 -0.24 -2.56 115.31 120.61 3n24 h LEU 117 Ca 0.19 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3n24 h LEU 117 Cb 0.04 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 3n24 h LEU 117 CO -0.03 0.40 0.53 1.56 -0.62 0.00 0.00 178.44 180.28 3n24 h GLN 118 N 0.57 1.17 0.00 1.25 4.20 -0.63 -2.37 115.11 119.31 3n24 h GLN 118 Ca 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3n24 h GLN 118 Cb -0.02 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 3n24 h GLN 118 CO -0.03 0.82 -0.03 0.00 -0.67 0.00 0.00 178.83 178.91 3n24 h ALA 119 N 1.39 1.67 -0.02 3.87 0.00 -0.75 -2.87 119.26 122.55 3n24 h ALA 119 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3n24 h ALA 119 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3n24 h ALA 119 CO -0.06 0.04 -0.03 0.72 0.00 0.00 0.00 179.25 179.93 3n24 n HIS 120 N -4.10 0.00 -0.08 0.00 8.25 -0.94 -4.52 115.22 113.82 3n24 n HIS 120 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 3n24 n HIS 120 Cb 0.12 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3n24 n HIS 120 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3n24 h THR 121 N 3.23 1.30 -0.28 1.59 2.02 -1.20 -3.34 112.91 116.22 3n24 h THR 121 Ca 0.00 -1.57 0.08 0.00 0.77 0.00 0.00 66.41 65.69 3n24 h THR 121 Cb 0.70 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3n24 h THR 121 CO 0.00 0.50 0.22 -0.65 0.37 0.00 0.00 175.52 175.96 3n24 h PRO 122 N 0.49 0.00 -0.78 6.66 0.11 -1.79 0.51 132.00 137.19 3n24 h PRO 122 Ca 0.03 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.20 3n24 h PRO 122 Cb 0.98 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3n24 h PRO 122 CO 0.09 0.00 0.47 0.00 -0.21 0.00 0.00 178.00 178.35 3n24 h ALA 123 N 1.83 1.07 0.00 -0.75 0.00 -1.90 -0.66 119.26 118.86 3n24 h ALA 123 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3n24 h ALA 123 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3n24 h ALA 123 CO -0.00 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 3n24 h LEU 124 N 0.85 0.00 0.00 0.00 4.07 -0.18 -2.41 115.31 117.64 3n24 h LEU 124 Ca 0.35 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 58.03 3n24 h LEU 124 Cb 0.19 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 3n24 h LEU 124 CO -0.18 0.00 -1.58 -0.07 -1.08 0.00 0.00 178.44 175.53 3n24 h LEU 125 N 0.00 0.00 0.47 1.67 3.38 -1.13 -3.32 115.31 116.39 3n24 h LEU 125 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3n24 h LEU 125 Cb 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3n24 h LEU 125 CO 0.00 1.00 -0.26 -0.33 0.09 0.00 0.00 178.44 178.94 3n24 h GLU 126 N 0.00 -0.65 -4.47 1.13 4.39 -0.66 -3.41 114.58 110.91 3n24 h GLU 126 Ca -0.24 0.04 -0.64 0.00 0.34 0.00 0.00 59.36 58.87 3n24 h GLU 126 Cb 1.97 0.15 -0.39 0.00 -0.10 0.00 0.00 28.75 30.38 3n24 h GLU 126 CO 0.09 -0.43 -0.76 0.00 -1.16 0.00 0.00 179.01 176.75 3n24 s ALA 127 N -4.57 2.41 0.37 3.43 0.00 -1.13 -5.13 121.76 117.13 3n24 s ALA 127 Ca -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.87 3n24 s ALA 127 Cb 0.01 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3n24 s ALA 127 CO 0.31 -1.48 0.00 -2.30 0.00 0.00 0.00 175.76 172.29 3n24 n PRO 128 N 4.47 2.75 -0.83 0.00 -0.02 -1.25 -4.69 135.00 135.44 3n24 n PRO 128 Ca -0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.31 3n24 n PRO 128 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.91 3n24 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n24 n ALA 130 N -3.00 1.44 0.14 3.55 0.00 -1.26 -5.11 120.51 116.28 3n24 n ALA 130 Ca 0.00 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.07 3n24 n ALA 130 Cb 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.07 3n24 n ALA 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3n24 n ASP 131 N 3.14 0.97 -3.93 0.00 8.00 -1.26 -4.56 116.55 118.92 3n24 n ASP 131 Ca -0.01 -0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 3n24 n ASP 131 Cb 0.25 1.65 -0.09 0.00 -0.02 0.00 0.00 41.12 42.91 3n24 n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3n24 s ASN 132 N -3.74 0.51 0.00 -2.24 6.03 -1.26 -4.89 114.94 109.35 3n24 s ASN 132 Ca -0.04 -1.43 0.25 0.00 -1.03 0.00 0.00 52.86 50.61 3n24 s ASN 132 Cb 0.11 0.46 0.33 0.00 -3.03 0.00 0.00 41.25 39.12 3n24 s ASN 132 CO 0.72 -0.95 1.33 0.47 -2.03 0.00 0.00 177.10 176.63 3n24 n ASP 133 N -0.64 2.51 -0.27 3.54 8.00 -1.26 -3.99 116.55 124.44 3n24 n ASP 133 Ca 0.03 -1.79 0.11 0.00 0.71 0.00 0.00 54.79 53.84 3n24 n ASP 133 Cb 0.64 0.08 0.36 0.00 -0.02 0.00 0.00 41.12 42.18 3n24 n ASP 133 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3n24 h GLY 134 N 4.77 1.23 0.47 0.44 0.00 -1.97 -1.75 103.07 106.25 3n24 h GLY 134 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3n24 h GLY 134 CO 0.00 0.12 -0.06 -2.75 0.00 0.00 0.00 176.54 173.85 3n24 h PHE 135 N 0.74 0.10 -0.57 5.60 3.57 -1.91 -2.42 116.94 122.05 3n24 h PHE 135 Ca 0.44 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 62.01 3n24 h PHE 135 Cb 0.64 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.25 3n24 h PHE 135 CO -0.00 0.65 -0.29 1.03 -2.23 0.00 0.00 178.31 177.48 3n24 h SER 136 N -0.48 -0.99 -0.73 0.41 0.87 -1.73 0.19 113.55 111.08 3n24 h SER 136 Ca -0.00 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3n24 h SER 136 Cb 0.65 0.52 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 3n24 h SER 136 CO 0.01 -0.28 0.38 -0.33 -0.53 0.00 0.00 176.83 176.08 3n24 h GLU 137 N -0.14 1.04 -0.24 2.24 5.08 -1.35 0.39 114.58 121.60 3n24 h GLU 137 Ca 0.24 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3n24 h GLU 137 Cb 0.53 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3n24 h GLU 137 CO -0.65 0.80 -0.52 0.00 -1.00 0.00 0.00 179.01 177.64 3n24 h ALA 138 N 1.19 0.63 -0.62 3.43 0.00 -1.03 -1.95 119.26 120.92 3n24 h ALA 138 Ca 0.26 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3n24 h ALA 138 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3n24 h ALA 138 CO -0.04 0.68 0.14 0.35 0.00 0.00 0.00 179.25 180.38 3n24 h PHE 139 N 0.54 1.05 -0.34 0.00 3.57 -0.15 -2.41 116.94 119.21 3n24 h PHE 139 Ca 0.02 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.41 3n24 h PHE 139 Cb 1.08 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3n24 h PHE 139 CO 0.05 0.89 0.17 -0.97 -2.23 0.00 0.00 178.31 176.22 3n24 h ASN 140 N 0.91 0.25 -0.34 0.41 -1.24 0.02 -1.98 115.58 113.61 3n24 h ASN 140 Ca 0.19 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.22 3n24 h ASN 140 Cb 0.37 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 3n24 h ASN 140 CO 0.00 0.18 0.21 1.23 -1.29 0.00 0.00 177.43 177.77 3n24 h GLY 141 N 0.35 0.48 0.90 1.57 0.00 -1.26 -2.51 103.07 102.60 3n24 h GLY 141 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3n24 h GLY 141 CO -0.10 0.19 -0.07 -2.00 0.00 0.00 0.00 176.54 174.56 3n24 h LEU 142 N 0.44 -0.18 -0.76 3.11 5.85 -1.21 -2.66 115.31 119.90 3n24 h LEU 142 Ca 0.12 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3n24 h LEU 142 Cb -0.02 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3n24 h LEU 142 CO -0.02 -0.10 -0.14 0.08 -0.34 0.00 0.00 178.44 177.91 3n24 h ARG 143 N -0.14 0.79 -0.52 1.25 -0.00 -1.31 -1.75 114.38 112.70 3n24 h ARG 143 Ca 0.01 -0.28 0.04 0.00 -0.00 0.00 0.00 59.98 59.75 3n24 h ARG 143 Cb 0.15 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 30.02 3n24 h ARG 143 CO -0.03 0.89 0.28 -0.07 -0.00 0.00 0.00 179.97 181.04 3n24 h LEU 144 N 0.71 0.42 -0.71 0.08 4.07 -1.47 0.21 115.31 118.62 3n24 h LEU 144 Ca 0.11 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 3n24 h LEU 144 Cb 0.63 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 3n24 h LEU 144 CO 0.04 0.29 0.20 0.03 -1.08 0.00 0.00 178.44 177.92 3n24 h ARG 145 N 0.54 1.11 -0.26 1.13 3.08 -1.07 0.90 114.38 119.82 3n24 h ARG 145 Ca 0.22 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3n24 h ARG 145 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3n24 h ARG 145 CO -0.14 0.97 0.04 -0.07 -1.07 0.00 0.00 179.97 179.70 3n24 h LEU 146 N 1.05 0.41 -0.08 3.04 3.38 -0.86 -1.60 115.31 120.65 3n24 h LEU 146 Ca 0.23 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3n24 h LEU 146 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3n24 h LEU 146 CO -0.00 0.56 -0.04 1.56 0.09 0.00 0.00 178.44 180.61 3n24 h GLN 147 N 0.24 -0.03 -0.59 1.13 4.20 -0.27 -2.24 115.11 117.54 3n24 h GLN 147 Ca 0.08 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3n24 h GLN 147 Cb 0.33 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3n24 h GLN 147 CO 0.00 -0.02 0.14 -0.44 -0.67 0.00 0.00 178.83 177.84 3n24 h ASP 148 N -0.03 0.91 -0.82 1.46 3.32 -0.77 -1.05 116.42 119.44 3n24 h ASP 148 Ca 0.05 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3n24 h ASP 148 Cb 0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3n24 h ASP 148 CO -0.10 0.91 0.42 0.25 -1.72 0.00 0.00 179.24 179.00 3n24 h LEU 149 N 0.86 1.06 -0.09 1.55 5.85 -1.21 -0.55 115.31 122.78 3n24 h LEU 149 Ca 0.18 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3n24 h LEU 149 Cb 0.36 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3n24 h LEU 149 CO 0.00 0.88 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.32 3n24 h GLN 150 N 1.16 0.19 -0.67 1.25 4.15 -0.95 -2.46 115.11 117.79 3n24 h GLN 150 Ca 0.29 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3n24 h GLN 150 Cb 0.08 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3n24 h GLN 150 CO -0.04 0.57 0.30 1.96 -1.93 0.00 0.00 178.83 179.69 3n24 h GLN 151 N -0.19 0.96 -0.23 1.69 4.20 -1.17 -0.97 115.11 119.40 3n24 h GLN 151 Ca 0.02 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3n24 h GLN 151 Cb 0.51 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3n24 h GLN 151 CO 0.01 0.76 0.11 1.25 -0.67 0.00 0.00 178.83 180.29 3n24 h LEU 152 N 0.95 0.17 -0.24 1.46 6.46 -1.03 -0.77 115.31 122.30 3n24 h LEU 152 Ca 0.23 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3n24 h LEU 152 Cb 0.13 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3n24 h LEU 152 CO -0.03 0.13 0.14 0.00 -0.62 0.00 0.00 178.44 178.06 3n24 h ALA 153 N 1.12 0.31 0.23 1.25 0.00 -1.11 -0.50 119.26 120.56 3n24 h ALA 153 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3n24 h ALA 153 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3n24 h ALA 153 CO -0.07 -0.16 -0.16 -0.07 0.00 0.00 0.00 179.25 178.79 3n24 h LEU 154 N 0.29 -0.41 -1.24 0.00 3.38 -1.06 0.65 115.31 116.91 3n24 h LEU 154 Ca 0.09 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3n24 h LEU 154 Cb 0.06 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3n24 h LEU 154 CO -0.01 -0.26 0.56 0.00 0.09 0.00 0.00 178.44 178.82 3n24 h ALA 155 N 0.36 1.70 -0.43 1.53 0.00 -1.15 0.63 119.26 121.90 3n24 h ALA 155 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3n24 h ALA 155 Cb 0.34 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3n24 h ALA 155 CO 0.00 0.11 0.17 0.78 0.00 0.00 0.00 179.25 180.31 3n24 h GLY 156 N 0.82 0.57 0.86 0.00 0.00 -0.27 -0.99 103.07 104.06 3n24 h GLY 156 Ca 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3n24 h GLY 156 CO -0.18 0.04 -0.15 -2.22 0.00 0.00 0.00 176.54 174.03 3n24 h ILE 157 N 0.35 0.66 -0.89 2.60 2.04 0.12 -1.77 117.51 120.63 3n24 h ILE 157 Ca 0.20 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.23 3n24 h ILE 157 Cb 0.17 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 3n24 h ILE 157 CO -0.19 0.00 0.45 -1.28 0.00 0.00 0.00 178.15 177.14 3n24 h SER 158 N -0.36 0.52 0.59 1.72 0.87 -0.62 0.32 113.55 116.58 3n24 h SER 158 Ca -0.01 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3n24 h SER 158 Cb 0.32 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3n24 h SER 158 CO -0.01 0.17 -0.58 -0.33 -0.53 0.00 0.00 176.83 175.55 3n24 h GLU 159 N 0.59 0.00 -0.16 2.24 5.08 -0.90 -2.63 114.58 118.80 3n24 h GLU 159 Ca 0.51 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.75 3n24 h GLU 159 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3n24 h GLU 159 CO -0.41 0.58 -0.37 0.00 -1.00 0.00 0.00 179.01 177.82 3n24 h ALA 160 N 1.42 0.26 -0.41 3.43 0.00 -0.33 -2.91 119.26 120.71 3n24 h ALA 160 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3n24 h ALA 160 Cb 1.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3n24 h ALA 160 CO 0.08 0.33 0.19 0.93 0.00 0.00 0.00 179.25 180.78 3n24 h GLU 161 N 0.16 0.37 0.09 0.00 5.08 -0.78 -3.20 114.58 116.31 3n24 h GLU 161 Ca -0.00 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 3n24 h GLU 161 Cb 0.97 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3n24 h GLU 161 CO 0.08 0.24 -1.32 1.79 -1.00 0.00 0.00 179.01 178.81 3n24 h THR 162 N 0.38 1.39 0.00 1.13 1.35 -1.58 -3.52 112.91 112.07 3n24 h THR 162 Ca 0.18 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 3n24 h THR 162 Cb 0.12 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3n24 h THR 162 CO -0.15 0.86 0.00 -1.54 -0.25 0.00 0.00 175.52 174.44