#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h35 s SER 32 N 0.00 0.53 -0.02 4.52 0.15 -1.26 -5.00 113.70 112.62 3h35 s SER 32 Ca 0.00 -1.77 0.03 0.00 0.70 0.00 0.00 55.95 54.91 3h35 s SER 32 Cb 0.00 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 65.10 3h35 s SER 32 CO 0.00 -0.20 0.89 2.30 1.20 0.00 0.00 173.24 177.43 3h35 n ILE 33 N 3.83 0.80 -0.11 6.45 -5.35 -1.26 -4.80 119.36 118.92 3h35 n ILE 33 Ca 0.15 -0.85 -0.08 0.00 -0.27 0.00 0.00 62.75 61.70 3h35 n ILE 33 Cb 0.48 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3h35 n ILE 33 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3h35 h GLU 34 N 0.00 0.43 -6.06 6.28 4.81 -2.07 -3.37 114.58 114.60 3h35 h GLU 34 Ca 0.00 -0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.63 3h35 h GLU 34 Cb 0.75 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3h35 h GLU 34 CO 0.00 0.29 -0.03 -0.65 -0.73 0.00 0.00 179.01 177.89 3h35 s GLN 35 N -6.16 4.30 -0.07 1.92 -1.52 -1.26 -5.05 119.66 111.82 3h35 s GLN 35 Ca -0.13 0.71 -0.16 0.00 -1.95 0.00 0.00 55.36 53.83 3h35 s GLN 35 Cb 0.11 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 3h35 s GLN 35 CO 0.72 0.36 0.41 -1.12 -0.25 0.00 0.00 175.29 175.41 3h35 s SER 36 N -0.17 6.69 0.11 5.90 0.01 -1.26 -5.05 113.70 119.94 3h35 s SER 36 Ca 0.31 0.82 -0.31 0.00 1.31 0.00 0.00 55.95 58.08 3h35 s SER 36 Cb -0.18 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.73 3h35 s SER 36 CO 0.17 0.16 1.25 -0.69 0.41 0.00 0.00 173.24 174.54 3h35 s VAL 37 N -0.17 3.71 0.42 3.43 1.01 -1.26 -4.97 120.40 122.56 3h35 s VAL 37 Ca 0.23 1.28 -0.24 0.00 0.00 0.00 0.00 61.98 63.25 3h35 s VAL 37 Cb -0.15 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3h35 s VAL 37 CO 0.10 0.13 1.09 -2.16 0.00 0.00 0.00 175.10 174.26 3h35 s PRO 38 N 0.71 4.05 0.73 2.72 0.04 -1.26 -5.00 135.00 136.99 3h35 s PRO 38 Ca 0.59 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 3h35 s PRO 38 Cb -0.32 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 3h35 s PRO 38 CO 0.32 -0.26 0.79 1.04 0.04 0.00 0.00 177.00 178.93 3h35 n GLN 39 N -0.19 0.39 -0.23 4.56 6.02 -1.26 -4.90 117.38 121.77 3h35 n GLN 39 Ca 0.06 0.18 0.03 0.00 -0.01 0.00 0.00 57.00 57.26 3h35 n GLN 39 Cb 0.49 -2.06 0.14 0.00 1.02 0.00 0.00 30.24 29.82 3h35 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h35 h ALA 40 N -0.36 0.75 -0.61 -1.58 0.00 -2.05 -1.09 119.26 114.32 3h35 h ALA 40 Ca -0.46 0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.75 3h35 h ALA 40 Cb 1.34 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 3h35 h ALA 40 CO 0.45 -0.38 0.13 0.37 0.00 0.00 0.00 179.25 179.82 3h35 h GLN 41 N 0.17 0.25 -1.22 0.00 4.15 -2.02 0.23 115.11 116.67 3h35 h GLN 41 Ca 0.37 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.77 3h35 h GLN 41 Cb 0.62 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3h35 h GLN 41 CO -0.54 0.17 0.00 2.41 -1.93 0.00 0.00 178.83 178.93 3h35 n THR 42 N -5.13 0.30 0.00 2.39 -1.04 -0.41 -1.66 114.28 108.73 3h35 n THR 42 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3h35 n THR 42 Cb 0.33 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 3h35 n THR 42 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h35 n LEU 44 N 0.63 0.00 -0.00 -4.42 4.77 0.80 -0.76 117.00 118.02 3h35 n LEU 44 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3h35 n LEU 44 Cb 0.18 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3h35 n LEU 44 CO 0.00 0.00 0.44 -0.37 -1.33 0.00 0.00 177.39 176.13 3h35 h VAL 45 N 0.00 1.32 -0.12 4.08 -1.51 -1.57 -1.38 116.25 117.07 3h35 h VAL 45 Ca 0.00 -1.85 0.02 0.00 -1.23 0.00 0.00 66.70 63.63 3h35 h VAL 45 Cb 0.00 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 3h35 h VAL 45 CO 0.00 0.58 0.01 -0.33 -1.23 0.00 0.00 177.57 176.60 3h35 h GLU 46 N 0.44 0.06 -0.35 5.19 4.39 -1.21 0.11 114.58 123.21 3h35 h GLU 46 Ca -0.00 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3h35 h GLU 46 Cb 1.16 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3h35 h GLU 46 CO 0.11 0.04 -0.32 -0.09 -1.16 0.00 0.00 179.01 177.59 3h35 h ARG 47 N 0.06 0.77 0.00 2.33 2.43 -1.77 -2.27 114.38 115.93 3h35 h ARG 47 Ca 0.05 -0.36 -0.18 0.00 -0.81 0.00 0.00 59.98 58.68 3h35 h ARG 47 Cb 0.05 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3h35 h ARG 47 CO -0.08 0.98 -2.02 0.72 -1.51 0.00 0.00 179.97 178.07 3h35 n HIS 48 N -4.07 0.00 -0.06 2.20 8.25 -0.53 -4.42 115.22 116.59 3h35 n HIS 48 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3h35 n HIS 48 Cb 0.49 -0.66 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 3h35 n HIS 48 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h35 n LEU 49 N -2.42 1.51 0.21 2.41 4.77 0.25 -4.40 117.00 119.33 3h35 n LEU 49 Ca -0.17 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3h35 n LEU 49 Cb 0.81 -0.36 0.47 0.00 -2.33 0.00 0.00 43.42 42.01 3h35 n LEU 49 CO 0.37 0.38 0.80 0.00 -1.33 0.00 0.00 177.39 177.61 3h35 h ALA 50 N -0.29 1.24 0.00 -1.18 0.00 -1.03 -1.77 119.26 116.23 3h35 h ALA 50 Ca -0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h35 h ALA 50 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h35 h ALA 50 CO -0.14 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 3h35 n SER 51 N -3.78 0.29 -4.75 0.00 3.41 -0.87 -4.82 113.62 103.10 3h35 n SER 51 Ca -0.01 0.54 -0.38 0.00 -0.26 0.00 0.00 58.87 58.76 3h35 n SER 51 Cb 0.38 -0.61 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3h35 n SER 51 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h35 s LEU 52 N -3.58 3.82 0.77 1.04 1.43 -0.67 -5.01 118.68 116.48 3h35 s LEU 52 Ca 0.11 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.74 3h35 s LEU 52 Cb 0.14 -4.35 0.06 0.00 0.03 0.00 0.00 46.19 42.07 3h35 s LEU 52 CO 0.48 -1.54 1.08 0.42 0.23 0.00 0.00 176.35 177.02 3h35 s THR 53 N -1.38 3.40 0.25 5.49 -4.23 -1.26 -4.79 115.64 113.12 3h35 s THR 53 Ca 0.73 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 61.66 3h35 s THR 53 Cb -0.37 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.66 3h35 s THR 53 CO 0.43 -0.59 1.75 1.23 -0.54 0.00 0.00 174.62 176.90 3h35 h GLY 54 N -1.08 1.24 0.92 3.99 0.00 -1.96 0.04 103.07 106.22 3h35 h GLY 54 Ca -0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3h35 h GLY 54 CO 0.54 -0.07 0.13 -0.55 0.00 0.00 0.00 176.54 176.59 3h35 h ASP 55 N 0.52 0.39 -0.98 0.19 3.32 -1.96 0.12 116.42 118.02 3h35 h ASP 55 Ca 0.43 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.36 3h35 h ASP 55 Cb 0.63 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 3h35 h ASP 55 CO -0.38 0.43 0.64 -0.33 -1.72 0.00 0.00 179.24 177.88 3h35 h GLU 56 N 0.33 1.23 -0.51 3.56 5.08 -1.69 -1.11 114.58 121.48 3h35 h GLU 56 Ca 0.10 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3h35 h GLU 56 Cb 0.15 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3h35 h GLU 56 CO -0.01 0.82 -0.12 0.00 -1.00 0.00 0.00 179.01 178.69 3h35 h ALA 57 N 1.39 0.71 -0.59 3.43 0.00 -0.56 -1.00 119.26 122.64 3h35 h ALA 57 Ca 0.38 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3h35 h ALA 57 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h35 h ALA 57 CO -0.11 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.86 3h35 h ARG 58 N 0.85 0.96 -0.25 0.00 3.08 -0.28 0.99 114.38 119.74 3h35 h ARG 58 Ca 0.13 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3h35 h ARG 58 Cb 0.69 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3h35 h ARG 58 CO 0.05 0.89 0.13 -0.07 -1.07 0.00 0.00 179.97 179.90 3h35 h LEU 59 N 0.91 0.32 -0.62 3.04 3.38 -0.97 -1.32 115.31 120.05 3h35 h LEU 59 Ca 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h35 h LEU 59 Cb 0.40 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3h35 h LEU 59 CO 0.01 0.34 0.29 0.25 0.09 0.00 0.00 178.44 179.42 3h35 h LEU 60 N 0.28 0.82 -0.62 1.67 5.85 -0.97 -2.01 115.31 120.33 3h35 h LEU 60 Ca 0.09 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3h35 h LEU 60 Cb 0.09 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3h35 h LEU 60 CO -0.01 0.73 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 3h35 h ALA 61 N 1.13 0.81 -0.02 1.25 0.00 -0.67 -0.64 119.26 121.11 3h35 h ALA 61 Ca 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3h35 h ALA 61 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3h35 h ALA 61 CO -0.03 -0.13 -0.24 0.00 0.00 0.00 0.00 179.25 178.86 3h35 h ALA 62 N 1.39 1.57 0.00 0.00 0.00 -0.76 -1.95 119.26 119.51 3h35 h ALA 62 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h35 h ALA 62 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h35 h ALA 62 CO -0.26 0.32 -0.22 1.28 0.00 0.00 0.00 179.25 180.37 3h35 n LEU 63 N -4.24 0.71 0.25 0.00 4.77 -0.55 -4.37 117.00 113.56 3h35 n LEU 63 Ca -0.02 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 3h35 n LEU 63 Cb 0.30 -0.28 0.62 0.00 -2.33 0.00 0.00 43.42 41.73 3h35 n LEU 63 CO 0.37 -0.12 0.91 0.77 -1.33 0.00 0.00 177.39 177.99 3h35 h SER 64 N 0.00 0.00 -0.40 -1.43 4.64 -0.34 -1.75 113.55 114.27 3h35 h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h35 h SER 64 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3h35 h SER 64 CO 0.00 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 175.21 3h35 n ASP 65 N -3.42 2.49 0.00 4.97 5.75 -1.26 -4.90 116.55 120.19 3h35 n ASP 65 Ca -0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3h35 n ASP 65 Cb 0.33 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3h35 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h35 n GLY 66 N 1.02 0.73 3.73 6.12 0.00 -0.66 -5.05 105.19 111.08 3h35 n GLY 66 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h35 n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h35 n SER 67 N 0.00 3.17 -4.52 1.61 7.64 -1.25 -4.93 113.62 115.34 3h35 n SER 67 Ca 0.00 1.21 -0.33 0.00 1.01 0.00 0.00 58.87 60.76 3h35 n SER 67 Cb 0.00 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 61.54 3h35 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h35 s ALA 68 N -1.06 2.86 0.25 -0.43 0.00 -1.26 -4.66 121.76 117.46 3h35 s ALA 68 Ca 0.55 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.71 3h35 s ALA 68 Cb -0.53 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3h35 s ALA 68 CO 0.62 0.49 -0.17 -0.06 0.00 0.00 0.00 175.76 176.64 3h35 s PHE 69 N -0.53 2.05 0.28 0.00 0.08 -0.75 -4.93 117.98 114.18 3h35 s PHE 69 Ca 0.08 -0.43 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 3h35 s PHE 69 Cb -0.12 -0.91 -0.10 0.00 -0.57 0.00 0.00 43.02 41.32 3h35 s PHE 69 CO 0.02 0.57 1.37 0.00 -0.10 0.00 0.00 175.22 177.07 3h35 s ALA 70 N -2.71 3.56 -0.06 5.36 0.00 -1.26 -0.43 121.76 126.22 3h35 s ALA 70 Ca 0.27 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.52 3h35 s ALA 70 Cb -0.03 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3h35 s ALA 70 CO 0.12 -0.68 -0.06 -1.17 0.00 0.00 0.00 175.76 173.96 3h35 s LEU 71 N -1.03 1.33 -0.19 0.00 2.96 -0.32 -4.18 118.68 117.26 3h35 s LEU 71 Ca 0.54 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 3h35 s LEU 71 Cb -0.40 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 3h35 s LEU 71 CO 0.48 -0.05 0.05 -0.76 -1.32 0.00 0.00 176.35 174.74 3h35 s LEU 72 N 0.99 3.69 -0.12 -0.68 1.43 -0.11 -0.18 118.68 123.70 3h35 s LEU 72 Ca -0.10 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3h35 s LEU 72 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3h35 s LEU 72 CO -0.00 0.15 -0.19 -0.89 0.23 0.00 0.00 176.35 175.65 3h35 s THR 73 N 0.50 2.44 -0.27 5.49 2.01 -0.14 -1.33 115.64 124.35 3h35 s THR 73 Ca 0.02 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 3h35 s THR 73 Cb -0.13 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3h35 s THR 73 CO 0.01 0.54 0.35 -0.76 -0.69 0.00 0.00 174.62 174.07 3h35 s LEU 74 N 0.42 4.04 -0.00 4.42 1.43 -0.30 -0.36 118.68 128.33 3h35 s LEU 74 Ca -0.14 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3h35 s LEU 74 Cb -0.17 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3h35 s LEU 74 CO 0.06 -0.16 0.01 -0.31 0.23 0.00 0.00 176.35 176.19 3h35 s TYR 75 N 1.97 3.11 0.42 0.29 2.02 -0.12 0.50 117.35 125.55 3h35 s TYR 75 Ca 0.14 0.10 0.18 0.00 -0.37 0.00 0.00 57.07 57.12 3h35 s TYR 75 Cb -0.16 -1.68 1.08 0.00 -0.40 0.00 0.00 41.96 40.80 3h35 s TYR 75 CO 0.10 0.48 1.98 0.66 -1.57 0.00 0.00 175.55 177.20 3h35 h SER 76 N 4.31 0.00 -0.32 2.29 4.64 -0.86 -0.58 113.55 123.03 3h35 h SER 76 Ca -0.49 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.21 3h35 h SER 76 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 3h35 h SER 76 CO 0.58 0.20 -0.35 -0.83 -0.87 0.00 0.00 176.83 175.56 3h35 s GLY 77 N -4.22 2.63 0.87 -0.77 0.00 0.87 -3.28 107.32 103.43 3h35 s GLY 77 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 44.72 43.78 3h35 s GLY 77 CO 0.67 -2.05 1.16 -1.35 0.00 0.00 0.00 173.10 171.54 3h35 s SER 78 N -4.19 3.88 0.00 1.64 1.04 -1.06 -3.03 113.70 111.98 3h35 s SER 78 Ca 0.22 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.55 3h35 s SER 78 Cb -0.02 -1.37 0.22 0.00 0.10 0.00 0.00 66.02 64.96 3h35 s SER 78 CO 0.14 -2.30 1.15 -2.11 0.98 0.00 0.00 173.24 171.09 3h35 n ARG 79 N -3.59 0.01 -0.14 4.02 1.85 -1.26 -0.38 116.66 117.17 3h35 n ARG 79 Ca 0.08 0.40 0.10 0.00 -1.00 0.00 0.00 57.85 57.42 3h35 n ARG 79 Cb 0.60 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.67 3h35 n ARG 79 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h35 n PHE 80 N -1.48 0.36 -2.72 2.89 3.72 -1.26 -4.72 117.46 114.25 3h35 n PHE 80 Ca 0.01 -0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.15 3h35 n PHE 80 Cb 0.06 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3h35 n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h35 n SER 81 N 1.19 -2.52 -0.02 4.37 2.88 0.49 -5.07 113.62 114.94 3h35 n SER 81 Ca 0.15 -2.40 0.13 0.00 -1.33 0.00 0.00 58.87 55.43 3h35 n SER 81 Cb 0.52 1.38 0.56 0.00 -0.75 0.00 0.00 64.21 65.92 3h35 n SER 81 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3h35 h ARG 82 N 4.26 0.26 0.00 -1.46 2.47 -1.60 -3.27 114.38 115.04 3h35 h ARG 82 Ca -0.06 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3h35 h ARG 82 Cb 1.12 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3h35 h ARG 82 CO 0.03 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.15 3h35 n GLY 83 N -1.55 2.79 3.93 0.04 0.00 -1.26 -0.09 105.19 109.05 3h35 n GLY 83 Ca 0.08 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3h35 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h35 s GLU 84 N 0.00 3.50 -0.05 1.61 2.02 -1.26 -4.81 118.70 119.70 3h35 s GLU 84 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 3h35 s GLU 84 Cb 0.00 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3h35 s GLU 84 CO 0.00 0.44 1.15 0.08 0.02 0.00 0.00 175.26 176.95 3h35 s VAL 85 N -1.82 4.37 -0.12 2.63 1.01 -1.26 -0.92 120.40 124.28 3h35 s VAL 85 Ca 0.37 1.68 0.12 0.00 0.00 0.00 0.00 61.98 64.15 3h35 s VAL 85 Cb -0.11 -4.08 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 3h35 s VAL 85 CO 0.29 0.02 0.07 0.18 0.00 0.00 0.00 175.10 175.65 3h35 n LEU 86 N 5.00 0.00 -3.61 3.92 4.77 0.18 -4.94 117.00 122.31 3h35 n LEU 86 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3h35 n LEU 86 Cb 0.47 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.78 3h35 n LEU 86 CO 0.54 0.29 0.67 -0.47 -1.33 0.00 0.00 177.39 177.09 3h35 s TYR 87 N -2.38 -0.52 0.01 -1.77 5.04 -1.19 -5.00 117.35 111.54 3h35 s TYR 87 Ca -0.06 1.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.76 3h35 s TYR 87 Cb 0.04 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.71 3h35 s TYR 87 CO 0.54 -0.31 -0.06 1.03 -1.34 0.00 0.00 175.55 175.41 3h35 s ARG 88 N -0.15 0.44 0.01 4.97 0.52 -1.26 -1.15 118.95 122.33 3h35 s ARG 88 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3h35 s ARG 88 Cb -0.04 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.08 3h35 s ARG 88 CO -0.02 0.08 -0.02 -0.47 0.02 0.00 0.00 175.30 174.89 3h35 s TYR 89 N -0.58 0.20 0.13 -0.53 5.04 -0.45 -4.14 117.35 117.01 3h35 s TYR 89 Ca -0.03 -0.37 -0.17 0.00 -2.44 0.00 0.00 57.07 54.06 3h35 s TYR 89 Cb -0.05 -0.14 0.04 0.00 0.35 0.00 0.00 41.96 42.16 3h35 s TYR 89 CO -0.00 -0.13 0.43 0.45 -1.34 0.00 0.00 175.55 174.96 3h35 s SER 90 N -1.02 -0.29 0.00 4.32 0.15 -1.26 -0.93 113.70 114.66 3h35 s SER 90 Ca -0.11 -0.25 0.23 0.00 0.70 0.00 0.00 55.95 56.51 3h35 s SER 90 Cb -0.07 0.49 0.64 0.00 -1.71 0.00 0.00 66.02 65.38 3h35 s SER 90 CO -0.01 -0.86 1.54 -0.46 1.20 0.00 0.00 173.24 174.65 3h35 n ASN 91 N -0.22 3.91 0.21 5.45 6.94 -1.26 -4.54 115.26 125.75 3h35 n ASN 91 Ca -0.16 -2.00 0.15 0.00 -0.02 0.00 0.00 54.58 52.55 3h35 n ASN 91 Cb 0.64 -0.49 0.79 0.00 -2.36 0.00 0.00 39.78 38.37 3h35 n ASN 91 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h35 h ALA 92 N 4.34 1.87 -0.68 -2.53 0.00 -1.95 -1.50 119.26 118.81 3h35 h ALA 92 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3h35 h ALA 92 Cb 0.98 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3h35 h ALA 92 CO 0.00 -0.22 0.46 0.78 0.00 0.00 0.00 179.25 180.27 3h35 h GLY 93 N 0.00 0.54 0.70 0.00 0.00 -1.97 -1.07 103.07 101.28 3h35 h GLY 93 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3h35 h GLY 93 CO -0.00 0.06 -0.13 3.21 0.00 0.00 0.00 176.54 179.68 3h35 h ARG 94 N 0.33 -0.35 0.00 4.80 2.47 -1.63 -1.08 114.38 118.92 3h35 h ARG 94 Ca 0.33 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.99 3h35 h ARG 94 Cb 0.81 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 3h35 h ARG 94 CO -0.09 -0.04 -0.37 0.00 0.56 0.00 0.00 179.97 180.03 3h35 h ALA 95 N -0.04 1.29 0.00 0.04 0.00 -1.66 -2.65 119.26 116.25 3h35 h ALA 95 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h35 h ALA 95 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h35 h ALA 95 CO 0.06 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3h35 n ALA 96 N -2.43 2.05 -2.00 0.00 0.00 -0.42 -4.92 120.51 112.79 3h35 n ALA 96 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3h35 n ALA 96 Cb 0.42 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3h35 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h35 n GLY 97 N 0.84 0.21 3.76 0.00 0.00 -0.47 -4.73 105.19 104.80 3h35 n GLY 97 Ca 0.05 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3h35 n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h35 s ILE 98 N -2.30 2.60 0.02 -0.61 -4.36 -0.83 -4.95 121.20 110.78 3h35 s ILE 98 Ca 0.00 0.45 -0.25 0.00 -0.26 0.00 0.00 60.65 60.59 3h35 s ILE 98 Cb 0.00 -3.23 -0.18 0.00 1.25 0.00 0.00 42.46 40.31 3h35 s ILE 98 CO 0.00 -0.01 1.41 -0.61 0.24 0.00 0.00 174.94 175.97 3h35 h GLN 99 N 1.72 -0.12 -3.88 0.37 4.15 -1.94 -3.40 115.11 112.00 3h35 h GLN 99 Ca -0.50 0.01 -0.67 0.00 0.77 0.00 0.00 58.65 58.26 3h35 h GLN 99 Cb 1.27 0.03 -0.38 0.00 0.21 0.00 0.00 27.48 28.61 3h35 h GLN 99 CO 0.59 0.18 -0.57 0.00 -1.93 0.00 0.00 178.83 177.09 3h35 h ASN 101 N 7.10 0.00 0.04 0.00 -1.24 -1.97 -2.31 115.58 117.20 3h35 h ASN 101 Ca -0.06 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 3h35 h ASN 101 Cb 0.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 3h35 h ASN 101 CO 0.66 0.00 -0.01 0.44 -1.29 0.00 0.00 177.43 177.23 3h35 h ASP 102 N 0.00 0.00 -0.60 1.15 5.19 -1.98 -2.57 116.42 117.61 3h35 h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3h35 h ASP 102 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3h35 h ASP 102 CO 0.00 0.01 0.00 0.49 -3.12 0.00 0.00 179.24 176.62 3h35 n PHE 103 N -3.54 1.19 -0.28 4.55 3.72 -0.87 -4.63 117.46 117.60 3h35 n PHE 103 Ca -0.03 -0.50 -0.00 0.00 -0.05 0.00 0.00 57.45 56.87 3h35 n PHE 103 Cb 0.09 -0.16 0.13 0.00 -0.94 0.00 0.00 39.48 38.60 3h35 n PHE 103 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3h35 h ILE 104 N 3.68 1.00 -0.74 4.37 6.09 -1.63 0.68 117.51 130.97 3h35 h ILE 104 Ca 0.00 -0.29 -0.03 0.00 -1.37 0.00 0.00 64.86 63.17 3h35 h ILE 104 Cb 1.18 0.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.53 3h35 h ILE 104 CO 0.15 0.15 0.33 0.00 -3.07 0.00 0.00 178.15 175.71 3h35 h ALA 105 N 1.39 0.95 -0.59 0.18 0.00 -1.82 0.20 119.26 119.57 3h35 h ALA 105 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h35 h ALA 105 Cb 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h35 h ALA 105 CO -0.18 0.54 0.38 -0.07 0.00 0.00 0.00 179.25 179.92 3h35 h LEU 106 N 1.05 0.68 -0.41 0.00 3.38 -1.70 -0.69 115.31 117.62 3h35 h LEU 106 Ca 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3h35 h LEU 106 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h35 h LEU 106 CO -0.03 0.51 0.20 1.88 0.09 0.00 0.00 178.44 181.09 3h35 h TYR 107 N 0.80 0.59 -0.41 1.13 0.05 -0.12 -2.13 116.97 116.88 3h35 h TYR 107 Ca 0.21 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 3h35 h TYR 107 Cb -0.07 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 3h35 h TYR 107 CO -0.03 0.49 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.43 3h35 h LEU 108 N 0.52 0.69 -0.60 3.88 3.38 -0.41 -0.99 115.31 121.78 3h35 h LEU 108 Ca 0.14 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3h35 h LEU 108 Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3h35 h LEU 108 CO -0.02 0.80 0.37 -1.13 0.09 0.00 0.00 178.44 178.55 3h35 h ASN 109 N 0.65 0.60 -0.12 -0.43 -1.24 -0.81 -0.72 115.58 113.51 3h35 h ASN 109 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 3h35 h ASN 109 Cb 0.50 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 3h35 h ASN 109 CO 0.03 0.42 0.01 -0.74 -1.29 0.00 0.00 177.43 175.86 3h35 h HIS 110 N 0.73 0.22 -0.78 0.67 2.76 -1.07 0.39 115.15 118.07 3h35 h HIS 110 Ca 0.24 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3h35 h HIS 110 Cb 0.01 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 3h35 h HIS 110 CO -0.05 0.41 0.50 -0.07 -1.30 0.00 0.00 177.93 177.41 3h35 h LEU 111 N -0.04 0.82 -0.30 0.26 3.38 -0.98 -0.23 115.31 118.22 3h35 h LEU 111 Ca 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3h35 h LEU 111 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3h35 h LEU 111 CO 0.00 0.57 -0.00 -0.26 0.09 0.00 0.00 178.44 178.84 3h35 h PHE 112 N 0.97 0.58 -0.20 1.13 0.04 -1.13 -1.25 116.94 117.08 3h35 h PHE 112 Ca 0.31 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 3h35 h PHE 112 Cb 0.00 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3h35 h PHE 112 CO -0.03 0.67 -0.06 0.00 -0.60 0.00 0.00 178.31 178.29 3h35 h ALA 113 N 0.83 1.52 -0.00 2.45 0.00 -0.36 -0.84 119.26 122.86 3h35 h ALA 113 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h35 h ALA 113 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h35 h ALA 113 CO 0.02 0.34 -0.05 1.04 0.00 0.00 0.00 179.25 180.60 3h35 n GLN 114 N -4.31 0.81 -1.24 0.00 1.13 -0.15 -4.93 117.38 108.70 3h35 n GLN 114 Ca -0.00 -0.20 -0.05 0.00 -1.94 0.00 0.00 57.00 54.81 3h35 n GLN 114 Cb 0.23 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 3h35 n GLN 114 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h35 n GLY 115 N 1.20 0.70 0.12 1.08 0.00 -0.32 -4.92 105.19 103.06 3h35 n GLY 115 Ca 0.17 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.48 3h35 n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h35 h LEU 116 N 0.00 0.00 -8.65 0.99 3.38 -1.45 -3.36 115.31 106.21 3h35 h LEU 116 Ca -0.10 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 3h35 h LEU 116 Cb 0.40 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.00 3h35 h LEU 116 CO 0.15 0.01 -0.66 0.68 0.09 0.00 0.00 178.44 178.71 3h35 s VAL 117 N -3.34 0.68 0.16 1.22 -7.23 -1.24 -1.69 120.40 108.97 3h35 s VAL 117 Ca 0.00 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 3h35 s VAL 117 Cb 0.09 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 3h35 s VAL 117 CO 0.78 -0.48 -0.04 0.27 -0.31 0.00 0.00 175.10 175.31 3h35 s ILE 118 N -3.65 0.91 -0.11 -0.62 -4.36 0.51 -4.60 121.20 109.27 3h35 s ILE 118 Ca 0.24 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.60 3h35 s ILE 118 Cb 0.06 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 3h35 s ILE 118 CO 0.04 -0.60 -0.05 0.00 0.24 0.00 0.00 174.94 174.57 3h35 s ALA 119 N -3.50 2.98 0.27 2.27 0.00 -1.26 -1.79 121.76 120.74 3h35 s ALA 119 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3h35 s ALA 119 Cb 0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 3h35 s ALA 119 CO 0.02 0.39 0.07 -1.13 0.00 0.00 0.00 175.76 175.12 3h35 n SER 120 N 2.89 1.54 -4.72 0.00 3.41 -0.12 -4.92 113.62 111.71 3h35 n SER 120 Ca -0.18 -2.39 -0.30 0.00 -0.26 0.00 0.00 58.87 55.74 3h35 n SER 120 Cb 0.53 0.56 0.13 0.00 -0.26 0.00 0.00 64.21 65.16 3h35 n SER 120 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h35 s ASP 121 N -2.63 3.68 0.14 4.04 1.11 -1.26 -0.38 116.67 121.36 3h35 s ASP 121 Ca 0.10 1.77 -0.28 0.00 0.18 0.00 0.00 52.55 54.32 3h35 s ASP 121 Cb 0.00 -2.41 -0.16 0.00 1.07 0.00 0.00 42.92 41.42 3h35 s ASP 121 CO 0.07 -2.55 0.59 0.33 1.18 0.00 0.00 175.17 174.79 3h35 n PHE 122 N -3.85 -0.21 -3.98 4.23 7.35 -1.16 -3.73 117.46 116.10 3h35 n PHE 122 Ca 0.09 0.90 -0.34 0.00 -0.76 0.00 0.00 57.45 57.34 3h35 n PHE 122 Cb 0.54 -1.81 -0.15 0.00 0.35 0.00 0.00 39.48 38.41 3h35 n PHE 122 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h35 s THR 123 N -0.70 2.90 0.35 -2.13 2.01 -1.26 -4.93 115.64 111.88 3h35 s THR 123 Ca 0.64 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.96 3h35 s THR 123 Cb -0.92 -2.34 0.31 0.00 0.01 0.00 0.00 72.50 69.56 3h35 s THR 123 CO 0.51 0.39 1.90 -0.08 -0.69 0.00 0.00 174.62 176.65 3h35 h GLU 124 N 8.04 0.75 0.00 4.92 4.57 -2.01 -0.77 114.58 130.08 3h35 h GLU 124 Ca -0.40 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3h35 h GLU 124 Cb 1.14 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3h35 h GLU 124 CO 0.61 0.49 0.00 0.66 -1.18 0.00 0.00 179.01 179.59 3h35 h SER 125 N 0.77 0.00 -0.26 1.04 4.64 -2.03 -2.30 113.55 115.40 3h35 h SER 125 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3h35 h SER 125 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3h35 h SER 125 CO -0.17 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.97 3h35 n LEU 126 N -2.89 1.41 -0.22 5.97 4.77 -0.29 -4.58 117.00 121.17 3h35 n LEU 126 Ca 0.01 -0.71 -0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3h35 n LEU 126 Cb 0.30 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3h35 n LEU 126 CO 0.26 0.35 0.73 -0.09 -1.33 0.00 0.00 177.39 177.31 3h35 h ARG 127 N 1.55 -0.01 -0.56 3.23 2.43 -1.51 0.12 114.38 119.62 3h35 h ARG 127 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3h35 h ARG 127 Cb 0.35 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3h35 h ARG 127 CO 0.00 -0.01 0.29 1.15 -1.51 0.00 0.00 179.97 179.89 3h35 h THR 128 N -0.01 0.95 -0.79 0.20 2.02 -1.87 -1.90 112.91 111.50 3h35 h THR 128 Ca 0.31 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3h35 h THR 128 Cb 0.48 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3h35 h THR 128 CO -0.67 0.10 0.51 0.44 0.37 0.00 0.00 175.52 176.26 3h35 h ASP 129 N 0.55 0.93 -0.70 4.18 3.32 -1.35 -0.01 116.42 123.34 3h35 h ASP 129 Ca 0.25 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3h35 h ASP 129 Cb 0.17 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 3h35 h ASP 129 CO -0.18 0.69 0.40 1.88 -1.72 0.00 0.00 179.24 180.32 3h35 h TYR 130 N 1.08 0.74 -0.21 4.55 0.05 -0.80 0.72 116.97 123.11 3h35 h TYR 130 Ca 0.29 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 3h35 h TYR 130 Cb -0.09 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 3h35 h TYR 130 CO -0.01 0.37 0.10 0.93 -1.05 0.00 0.00 178.16 178.50 3h35 h GLU 131 N 0.75 0.30 -0.60 4.88 5.08 -0.58 0.42 114.58 124.83 3h35 h GLU 131 Ca 0.31 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3h35 h GLU 131 Cb 0.16 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3h35 h GLU 131 CO -0.17 0.32 0.29 -0.07 -1.00 0.00 0.00 179.01 178.38 3h35 h LEU 132 N 0.21 0.38 -0.43 1.33 3.38 -0.77 -1.65 115.31 117.76 3h35 h LEU 132 Ca 0.07 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3h35 h LEU 132 Cb 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3h35 h LEU 132 CO -0.01 0.24 0.09 0.00 0.09 0.00 0.00 178.44 178.85 3h35 h GLU 134 N 0.56 0.00 0.00 0.00 5.08 0.10 -1.76 114.58 118.56 3h35 h GLU 134 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3h35 h GLU 134 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3h35 h GLU 134 CO 0.01 0.12 -0.12 0.41 -1.00 0.00 0.00 179.01 178.42 3h35 n GLY 135 N -0.78 -1.55 3.74 -3.84 0.00 -0.64 -4.77 105.19 97.34 3h35 n GLY 135 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3h35 n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h35 s ASP 136 N -3.78 6.59 0.30 1.61 2.15 -0.66 -4.91 116.67 117.97 3h35 s ASP 136 Ca 0.11 2.71 0.05 0.00 0.43 0.00 0.00 52.55 55.85 3h35 s ASP 136 Cb 0.15 -2.62 0.47 0.00 -0.30 0.00 0.00 42.92 40.62 3h35 s ASP 136 CO 0.60 -0.76 1.73 0.77 -0.17 0.00 0.00 175.17 177.33 3h35 h SER 137 N 5.34 0.33 -0.16 -0.34 4.64 -1.89 -1.85 113.55 119.61 3h35 h SER 137 Ca -0.45 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 60.66 3h35 h SER 137 Cb 1.22 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3h35 h SER 137 CO 0.81 0.65 -0.20 0.44 -0.87 0.00 0.00 176.83 177.65 3h35 h ASP 138 N 0.28 0.46 -0.56 4.97 3.32 -1.96 -0.68 116.42 122.25 3h35 h ASP 138 Ca 0.04 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.65 3h35 h ASP 138 Cb 0.72 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 3h35 h ASP 138 CO 0.06 0.87 0.25 0.15 -1.72 0.00 0.00 179.24 178.84 3h35 h PHE 139 N 0.06 0.45 -0.60 4.55 3.57 -1.86 -1.41 116.94 121.70 3h35 h PHE 139 Ca 0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3h35 h PHE 139 Cb 0.76 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3h35 h PHE 139 CO 0.09 0.17 0.09 0.00 -2.23 0.00 0.00 178.31 176.43 3h35 h ARG 140 N 0.47 0.96 -0.35 1.11 2.47 -1.14 0.77 114.38 118.67 3h35 h ARG 140 Ca 0.27 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3h35 h ARG 140 Cb 0.25 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 3h35 h ARG 140 CO -0.23 0.89 0.23 -0.22 0.56 0.00 0.00 179.97 181.20 3h35 h LYS 141 N 0.91 0.47 -0.43 0.04 3.64 -0.83 -0.99 116.57 119.37 3h35 h LYS 141 Ca 0.18 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3h35 h LYS 141 Cb 0.40 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3h35 h LYS 141 CO 0.01 0.32 0.20 0.00 -2.27 0.00 0.00 179.45 177.71 3h35 h ALA 142 N 1.12 0.56 -0.38 5.00 0.00 -0.50 -1.07 119.26 123.97 3h35 h ALA 142 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h35 h ALA 142 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h35 h ALA 142 CO -0.03 0.13 0.23 0.37 0.00 0.00 0.00 179.25 179.96 3h35 h GLN 143 N 0.55 0.46 -0.71 0.00 4.15 -0.75 -1.39 115.11 117.43 3h35 h GLN 143 Ca 0.15 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3h35 h GLN 143 Cb 0.14 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3h35 h GLN 143 CO -0.02 0.30 0.29 0.00 -1.93 0.00 0.00 178.83 177.48 3h35 h ALA 144 N 1.16 0.92 -0.56 3.38 0.00 -0.91 -0.43 119.26 122.82 3h35 h ALA 144 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3h35 h ALA 144 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3h35 h ALA 144 CO -0.06 0.53 0.36 0.93 0.00 0.00 0.00 179.25 181.01 3h35 h GLU 145 N 1.01 0.71 -0.24 0.00 5.08 -0.76 -2.67 114.58 117.71 3h35 h GLU 145 Ca 0.24 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3h35 h GLU 145 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h35 h GLU 145 CO -0.02 0.47 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.06 3h35 h LEU 146 N 0.74 0.53 -1.62 1.33 3.38 -0.92 -3.02 115.31 115.72 3h35 h LEU 146 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3h35 h LEU 146 Cb -0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3h35 h LEU 146 CO -0.05 0.82 -0.20 1.56 0.09 0.00 0.00 178.44 180.65 3h35 h GLN 147 N 0.44 0.00 -0.75 1.13 4.20 -0.74 -1.32 115.11 118.07 3h35 h GLN 147 Ca 0.05 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.93 3h35 h GLN 147 Cb 0.78 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.45 3h35 h GLN 147 CO 0.06 0.20 0.17 0.82 -0.67 0.00 0.00 178.83 179.42 3h35 h ILE 148 N 0.00 0.48 0.00 2.54 2.04 -1.40 -3.11 117.51 118.07 3h35 h ILE 148 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3h35 h ILE 148 Cb 0.37 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3h35 h ILE 148 CO 0.03 0.05 -1.28 1.41 0.00 0.00 0.00 178.15 178.36 3h35 n HIS 149 N -5.17 0.00 -3.85 1.37 8.25 -1.13 -4.68 115.22 110.00 3h35 n HIS 149 Ca 0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.31 3h35 n HIS 149 Cb 0.48 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 3h35 n HIS 149 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h35 n LEU 150 N -1.74 3.26 0.25 2.41 4.77 -0.51 -4.98 117.00 120.46 3h35 n LEU 150 Ca -0.01 -5.21 0.11 0.00 -0.03 0.00 0.00 56.01 50.88 3h35 n LEU 150 Cb 0.32 -0.82 0.65 0.00 -2.33 0.00 0.00 43.42 41.24 3h35 n LEU 150 CO 0.30 1.73 0.92 1.55 -1.33 0.00 0.00 177.39 180.56 3h35 h PRO 151 N 5.48 0.00 -0.05 3.23 0.13 -1.83 -1.40 132.00 137.55 3h35 h PRO 151 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h35 h PRO 151 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3h35 h PRO 151 CO 0.75 0.16 0.00 1.63 -0.23 0.00 0.00 178.00 180.30 3h35 n LYS 152 N -3.62 1.61 -1.36 0.86 5.02 -1.26 -4.98 118.16 114.43 3h35 n LYS 152 Ca -0.01 -0.90 -0.51 0.00 -2.02 0.00 0.00 58.31 54.86 3h35 n LYS 152 Cb 0.29 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3h35 n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3h35 n LEU 153 N 0.10 -0.39 -4.16 -0.35 7.94 -0.53 -2.57 117.00 117.04 3h35 n LEU 153 Ca 0.18 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.97 3h35 n LEU 153 Cb 0.32 -0.86 -0.12 0.00 0.53 0.00 0.00 43.42 43.29 3h35 n LEU 153 CO 0.16 -2.11 -0.46 -0.94 -1.11 0.00 0.00 177.39 172.93 3h35 s SER 154 N -0.31 1.62 -0.00 1.96 1.04 -0.23 -4.86 113.70 112.93 3h35 s SER 154 Ca 0.76 -0.59 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 3h35 s SER 154 Cb -1.07 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.95 3h35 s SER 154 CO 0.53 -0.07 0.71 -0.63 0.98 0.00 0.00 173.24 174.76 3h35 s ILE 155 N -1.22 4.88 -0.09 -1.02 1.01 -1.26 -0.94 121.20 122.56 3h35 s ILE 155 Ca -0.02 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.16 3h35 s ILE 155 Cb -0.10 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.32 3h35 s ILE 155 CO 0.02 0.33 -0.18 -0.60 0.00 0.00 0.00 174.94 174.51 3h35 s ARG 156 N 0.24 2.44 -0.16 2.79 3.52 0.52 -4.96 118.95 123.33 3h35 s ARG 156 Ca 0.37 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 3h35 s ARG 156 Cb -0.19 -1.94 -0.00 0.00 -1.56 0.00 0.00 34.95 31.25 3h35 s ARG 156 CO 0.20 0.06 1.06 1.03 -0.81 0.00 0.00 175.30 176.84 3h35 s ARG 157 N 0.63 4.33 0.34 5.12 0.52 -1.26 -0.96 118.95 127.66 3h35 s ARG 157 Ca -0.14 1.42 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 3h35 s ARG 157 Cb -0.16 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 3h35 s ARG 157 CO 0.04 -0.50 0.18 0.39 0.02 0.00 0.00 175.30 175.43 3h35 n GLU 158 N 5.74 0.52 -4.73 3.54 1.02 0.75 -3.01 120.64 124.46 3h35 n GLU 158 Ca 0.11 -3.04 -0.28 0.00 -0.02 0.00 0.00 57.16 53.93 3h35 n GLU 158 Cb 0.47 1.97 -0.17 0.00 -0.02 0.00 0.00 31.44 33.70 3h35 n GLU 158 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h35 s THR 159 N -3.03 1.49 -0.09 2.62 2.01 0.48 -1.17 115.64 117.95 3h35 s THR 159 Ca 0.25 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 3h35 s THR 159 Cb 0.01 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 3h35 s THR 159 CO 0.18 0.44 0.49 -0.22 -0.69 0.00 0.00 174.62 174.81 3h35 s LEU 160 N 0.65 4.31 0.10 4.42 2.96 0.42 -0.94 118.68 130.61 3h35 s LEU 160 Ca -0.14 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3h35 s LEU 160 Cb -0.16 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 3h35 s LEU 160 CO 0.04 0.04 0.10 -0.13 -1.32 0.00 0.00 176.35 175.08 3h35 s ARG 161 N 0.37 0.85 0.39 1.98 0.52 -0.74 -1.80 118.95 120.51 3h35 s ARG 161 Ca 0.27 -1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 3h35 s ARG 161 Cb -0.16 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.50 3h35 s ARG 161 CO 0.11 -0.24 1.30 -1.50 0.02 0.00 0.00 175.30 175.00 3h35 s ILE 162 N -3.95 2.64 0.56 1.52 2.07 -1.26 -0.36 121.20 122.40 3h35 s ILE 162 Ca 0.13 0.59 -0.05 0.00 -1.41 0.00 0.00 60.65 59.91 3h35 s ILE 162 Cb 0.06 -3.35 0.00 0.00 0.13 0.00 0.00 42.46 39.31 3h35 s ILE 162 CO -0.05 0.10 0.85 -0.94 -1.91 0.00 0.00 174.94 172.99 3h35 s SER 163 N -0.68 5.69 0.37 4.50 1.04 -0.68 -4.55 113.70 119.39 3h35 s SER 163 Ca 0.55 0.65 0.11 0.00 0.48 0.00 0.00 55.95 57.75 3h35 s SER 163 Cb -0.38 -1.72 0.89 0.00 0.10 0.00 0.00 66.02 64.90 3h35 s SER 163 CO 0.50 -0.96 1.85 -0.65 0.98 0.00 0.00 173.24 174.96 3h35 h PRO 164 N -0.04 0.60 -0.21 4.02 0.11 -1.89 0.11 132.00 134.71 3h35 h PRO 164 Ca -0.46 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 3h35 h PRO 164 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h35 h PRO 164 CO 0.60 0.40 -0.54 -0.07 -0.21 0.00 0.00 178.00 178.18 3h35 h LEU 165 N 0.62 0.83 -1.10 2.35 3.38 -1.90 -0.07 115.31 119.42 3h35 h LEU 165 Ca 0.48 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3h35 h LEU 165 Cb 0.90 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3h35 h LEU 165 CO -0.23 1.25 0.19 1.23 0.09 0.00 0.00 178.44 180.98 3h35 h GLY 166 N 0.45 0.89 1.05 0.83 0.00 -1.50 -0.17 103.07 104.62 3h35 h GLY 166 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 3h35 h GLY 166 CO 0.12 0.45 -0.32 -0.09 0.00 0.00 0.00 176.54 176.69 3h35 h ARG 167 N 0.81 0.82 -0.46 4.80 2.43 -0.85 0.82 114.38 122.76 3h35 h ARG 167 Ca 0.19 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 3h35 h ARG 167 Cb 0.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3h35 h ARG 167 CO -0.01 1.06 0.16 0.37 -1.51 0.00 0.00 179.97 180.04 3h35 h GLN 168 N 0.61 0.70 -0.48 0.20 4.15 -0.69 -0.47 115.11 119.12 3h35 h GLN 168 Ca 0.06 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3h35 h GLN 168 Cb 0.90 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 3h35 h GLN 168 CO 0.08 0.65 0.15 -0.07 -1.93 0.00 0.00 178.83 177.71 3h35 h LEU 169 N 0.60 0.70 -0.29 -2.39 3.38 -0.85 -1.62 115.31 114.84 3h35 h LEU 169 Ca 0.15 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3h35 h LEU 169 Cb 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3h35 h LEU 169 CO -0.01 0.72 0.06 -0.25 0.09 0.00 0.00 178.44 179.05 3h35 h TRP 170 N 0.64 0.10 -0.90 1.13 2.91 -0.57 -2.48 115.95 116.78 3h35 h TRP 170 Ca 0.16 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3h35 h TRP 170 Cb 0.27 -0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.87 3h35 h TRP 170 CO 0.01 0.02 0.53 1.15 -1.03 0.00 0.00 178.44 179.12 3h35 h THR 171 N 0.17 1.25 0.00 2.65 2.02 -0.92 -0.97 112.91 117.12 3h35 h THR 171 Ca 0.13 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3h35 h THR 171 Cb 0.14 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3h35 h THR 171 CO -0.18 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.17 3h35 n LEU 172 N -4.35 0.00 0.00 2.58 4.77 -0.62 -5.11 117.00 114.28 3h35 n LEU 172 Ca 0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3h35 n LEU 172 Cb 0.07 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3h35 n LEU 172 CO 0.38 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.79