#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1p s ARG 3 N 0.00 4.21 -0.13 1.97 0.52 -1.26 -4.95 118.95 119.31 2d1p s ARG 3 Ca 0.00 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 2d1p s ARG 3 Cb 0.00 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2d1p s ARG 3 CO 0.00 0.28 -0.05 0.42 0.02 0.00 0.00 175.30 175.98 2d1p s ILE 4 N 0.39 3.82 -0.13 1.52 1.01 -0.90 -1.19 121.20 125.71 2d1p s ILE 4 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2d1p s ILE 4 Cb -0.12 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2d1p s ILE 4 CO -0.00 0.53 -0.14 0.00 0.00 0.00 0.00 174.94 175.33 2d1p s ALA 5 N 0.03 2.60 -0.23 9.38 0.00 0.72 -1.60 121.76 132.66 2d1p s ALA 5 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2d1p s ALA 5 Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2d1p s ALA 5 CO 0.03 0.25 0.05 -0.06 0.00 0.00 0.00 175.76 176.03 2d1p s PHE 6 N 0.35 3.10 -0.25 0.00 0.08 0.25 -0.94 117.98 120.57 2d1p s PHE 6 Ca -0.11 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 2d1p s PHE 6 Cb -0.16 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2d1p s PHE 6 CO 0.06 -0.23 -0.08 0.08 -0.10 0.00 0.00 175.22 174.95 2d1p s VAL 7 N 1.24 2.69 -0.32 -0.44 1.01 -0.00 0.04 120.40 124.61 2d1p s VAL 7 Ca 0.04 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2d1p s VAL 7 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2d1p s VAL 7 CO 0.03 0.17 0.49 -0.36 0.00 0.00 0.00 175.10 175.42 2d1p s PHE 8 N 1.28 3.21 0.00 5.22 0.08 0.32 -0.49 117.98 127.59 2d1p s PHE 8 Ca -0.01 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.32 2d1p s PHE 8 Cb -0.17 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2d1p s PHE 8 CO -0.05 -0.45 0.56 -1.13 -0.10 0.00 0.00 175.22 174.05 2d1p n SER 9 N 5.63 1.05 -4.40 1.36 3.41 0.20 -1.41 113.62 119.47 2d1p n SER 9 Ca -0.05 -1.26 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 2d1p n SER 9 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 2d1p n SER 9 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2d1p s THR 10 N -0.26 2.26 0.63 6.66 -4.23 -1.18 -2.03 115.64 117.49 2d1p s THR 10 Ca 0.00 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 2d1p s THR 10 Cb 0.00 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 2d1p s THR 10 CO 0.00 -0.02 1.13 0.00 -0.54 0.00 0.00 174.62 175.20 2d1p s ALA 11 N -1.36 2.50 0.60 3.99 0.00 -1.20 -3.74 121.76 122.56 2d1p s ALA 11 Ca 0.17 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 2d1p s ALA 11 Cb -0.09 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2d1p s ALA 11 CO 0.08 -1.19 1.02 -1.25 0.00 0.00 0.00 175.76 174.42 2d1p s PRO 12 N -3.79 3.59 0.00 0.00 0.04 -1.26 -4.39 135.00 129.18 2d1p s PRO 12 Ca 0.70 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2d1p s PRO 12 Cb -0.23 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2d1p s PRO 12 CO 0.37 -0.58 0.00 0.72 0.04 0.00 0.00 177.00 177.56 2d1p n HIS 13 N -2.43 0.00 0.12 0.56 8.25 -1.26 -4.62 115.22 115.84 2d1p n HIS 13 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 2d1p n HIS 13 Cb 0.54 0.00 0.49 0.00 1.12 0.00 0.00 29.99 32.13 2d1p n HIS 13 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2d1p h GLY 14 N 0.00 0.30 -4.01 -1.41 0.00 -2.01 -3.43 103.07 92.51 2d1p h GLY 14 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 46.99 2d1p h GLY 14 CO 0.00 0.12 -0.71 -1.59 0.00 0.00 0.00 176.54 174.37 2d1p s THR 15 N -5.15 0.45 -2.07 4.70 2.01 -1.26 -5.05 115.64 109.27 2d1p s THR 15 Ca -0.06 -1.44 0.27 0.00 0.31 0.00 0.00 61.69 60.77 2d1p s THR 15 Cb 0.17 -1.03 0.72 0.00 0.01 0.00 0.00 72.50 72.37 2d1p s THR 15 CO 0.71 -0.66 1.97 0.00 -0.69 0.00 0.00 174.62 175.95 2d1p n ALA 16 N 0.80 2.64 -0.11 7.40 0.00 -1.26 -4.36 120.51 125.62 2d1p n ALA 16 Ca -0.18 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 2d1p n ALA 16 Cb 0.58 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 2d1p n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d1p h ALA 17 N 3.91 -0.09 -0.34 0.00 0.00 -1.96 -1.53 119.26 119.24 2d1p h ALA 17 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2d1p h ALA 17 Cb 0.09 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2d1p h ALA 17 CO 0.00 -0.67 0.14 0.78 0.00 0.00 0.00 179.25 179.50 2d1p h GLY 18 N -0.22 0.45 0.95 0.00 0.00 -1.87 0.13 103.07 102.52 2d1p h GLY 18 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2d1p h GLY 18 CO -0.51 0.06 -0.10 -0.09 0.00 0.00 0.00 176.54 175.90 2d1p h ARG 19 N 0.30 -0.23 0.00 4.80 1.12 -1.74 0.52 114.38 119.15 2d1p h ARG 19 Ca 0.15 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.97 2d1p h ARG 19 Cb 0.10 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 2d1p h ARG 19 CO -0.14 -0.16 -0.33 0.93 -3.11 0.00 0.00 179.97 177.17 2d1p h GLU 20 N -0.24 0.00 -0.28 0.20 5.08 -1.21 -2.13 114.58 116.00 2d1p h GLU 20 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2d1p h GLU 20 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2d1p h GLU 20 CO 0.01 0.33 -0.48 0.78 -1.00 0.00 0.00 179.01 178.65 2d1p h GLY 21 N 1.73 0.91 1.09 -3.84 0.00 -0.30 -2.26 103.07 100.40 2d1p h GLY 21 Ca -0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.23 2d1p h GLY 21 CO 0.04 0.93 0.26 -2.00 0.00 0.00 0.00 176.54 175.77 2d1p h LEU 22 N 0.60 1.07 -0.79 3.11 5.85 -0.58 -0.04 115.31 124.52 2d1p h LEU 22 Ca 0.02 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2d1p h LEU 22 Cb 1.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2d1p h LEU 22 CO 0.11 0.97 0.33 0.44 -0.34 0.00 0.00 178.44 179.95 2d1p h ASP 23 N 1.11 1.08 -0.52 1.25 3.32 -1.31 -1.27 116.42 120.07 2d1p h ASP 23 Ca 0.25 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2d1p h ASP 23 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2d1p h ASP 23 CO -0.01 0.95 -0.14 0.00 -1.72 0.00 0.00 179.24 178.32 2d1p h ALA 24 N 1.17 0.71 0.36 3.45 0.00 -0.96 -2.05 119.26 121.94 2d1p h ALA 24 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2d1p h ALA 24 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2d1p h ALA 24 CO -0.02 0.64 -0.22 1.25 0.00 0.00 0.00 179.25 180.90 2d1p h LEU 25 N 0.87 -0.56 -1.41 0.00 5.85 -0.64 -1.55 115.31 117.87 2d1p h LEU 25 Ca 0.13 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2d1p h LEU 25 Cb 0.71 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2d1p h LEU 25 CO 0.05 -0.36 0.40 -0.07 -0.34 0.00 0.00 178.44 178.13 2d1p h LEU 26 N -0.56 0.69 -1.04 2.25 3.38 -1.22 0.43 115.31 119.23 2d1p h LEU 26 Ca -0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2d1p h LEU 26 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2d1p h LEU 26 CO 0.03 0.50 -0.43 0.00 0.09 0.00 0.00 178.44 178.63 2d1p h ALA 27 N 1.62 1.20 0.17 1.53 0.00 -1.14 -3.09 119.26 119.56 2d1p h ALA 27 Ca 0.23 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 2d1p h ALA 27 Cb -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.67 2d1p h ALA 27 CO -0.05 0.57 -1.33 1.15 0.00 0.00 0.00 179.25 179.59 2d1p h THR 28 N 0.08 1.31 0.00 0.00 2.02 -0.21 -3.21 112.91 112.89 2d1p h THR 28 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2d1p h THR 28 Cb 0.80 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2d1p h THR 28 CO 0.06 0.79 0.05 0.77 0.37 0.00 0.00 175.52 177.55 2d1p h SER 29 N 0.21 0.00 0.70 4.18 4.64 -0.88 0.29 113.55 122.70 2d1p h SER 29 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2d1p h SER 29 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2d1p h SER 29 CO 0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.06 2d1p n ALA 30 N -1.93 2.73 0.16 5.18 0.00 -1.20 -3.66 120.51 121.80 2d1p n ALA 30 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.24 2d1p n ALA 30 Cb 0.10 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2d1p n ALA 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d1p n LEU 31 N -1.37 0.92 -3.58 0.00 4.77 1.00 -5.06 117.00 113.70 2d1p n LEU 31 Ca 0.09 -0.83 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 2d1p n LEU 31 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2d1p n LEU 31 CO 0.28 0.20 0.76 0.28 -1.33 0.00 0.00 177.39 177.58 2d1p s THR 32 N -0.68 0.00 -0.80 -5.08 -1.32 -0.99 -5.02 115.64 101.75 2d1p s THR 32 Ca 0.03 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.72 2d1p s THR 32 Cb 0.03 -1.00 -0.25 0.00 -1.51 0.00 0.00 72.50 69.77 2d1p s THR 32 CO 0.08 0.00 0.80 0.47 -2.21 0.00 0.00 174.62 173.77 2d1p n ASP 33 N 0.76 0.81 -3.78 8.08 8.00 -1.26 -4.44 116.55 124.72 2d1p n ASP 33 Ca -0.11 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 2d1p n ASP 33 Cb 0.58 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 2d1p n ASP 33 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2d1p n ASP 34 N -1.63 5.48 -3.92 -2.24 9.92 -1.26 -4.91 116.55 117.98 2d1p n ASP 34 Ca 0.02 -3.08 -0.10 0.00 -0.53 0.00 0.00 54.79 51.11 2d1p n ASP 34 Cb 0.37 -1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 39.27 2d1p n ASP 34 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2d1p s LEU 35 N -0.20 1.83 0.15 0.64 0.05 -1.26 -2.13 118.68 117.76 2d1p s LEU 35 Ca 0.43 -0.36 0.04 0.00 0.05 0.00 0.00 54.13 54.29 2d1p s LEU 35 Cb 0.12 0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 44.68 2d1p s LEU 35 CO -0.02 -0.37 -0.08 0.00 -0.55 0.00 0.00 176.35 175.33 2d1p s ALA 36 N -1.62 1.44 -0.07 1.48 0.00 -0.63 -4.64 121.76 117.72 2d1p s ALA 36 Ca -0.14 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.33 2d1p s ALA 36 Cb -0.07 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2d1p s ALA 36 CO -0.00 -0.14 -0.11 0.54 0.00 0.00 0.00 175.76 176.04 2d1p s VAL 37 N -3.39 1.09 -0.05 0.00 0.11 -0.16 -0.59 120.40 117.43 2d1p s VAL 37 Ca 0.18 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2d1p s VAL 37 Cb 0.03 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2d1p s VAL 37 CO 0.01 0.35 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.53 2d1p s PHE 38 N 0.76 2.45 -0.34 1.54 0.08 0.11 -0.83 117.98 121.74 2d1p s PHE 38 Ca -0.13 -0.59 -0.03 0.00 0.12 0.00 0.00 56.93 56.30 2d1p s PHE 38 Cb -0.15 -1.59 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 2d1p s PHE 38 CO 0.03 -0.13 0.08 -0.06 -0.10 0.00 0.00 175.22 175.04 2d1p s PHE 39 N -0.31 3.38 0.36 0.36 0.08 0.57 -0.52 117.98 121.89 2d1p s PHE 39 Ca 0.01 -2.02 0.05 0.00 0.12 0.00 0.00 56.93 55.10 2d1p s PHE 39 Cb -0.13 -2.53 -0.07 0.00 -0.57 0.00 0.00 43.02 39.73 2d1p s PHE 39 CO 0.02 -0.85 0.03 0.96 -0.10 0.00 0.00 175.22 175.28 2d1p s ILE 40 N 1.23 1.57 0.00 0.64 -4.36 -0.50 -0.77 121.20 119.01 2d1p s ILE 40 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 2d1p s ILE 40 Cb -0.21 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.63 2d1p s ILE 40 CO -0.02 -0.01 0.00 0.00 0.24 0.00 0.00 174.94 175.15 2d1p n ALA 41 N -0.81 0.00 0.31 2.27 0.00 -1.26 0.16 120.51 121.18 2d1p n ALA 41 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.50 2d1p n ALA 41 Cb 0.67 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.55 2d1p n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d1p n ASP 42 N 0.23 0.46 0.33 0.00 8.00 -0.86 -2.63 116.55 122.08 2d1p n ASP 42 Ca 0.00 0.65 0.22 0.00 0.71 0.00 0.00 54.79 56.37 2d1p n ASP 42 Cb 0.00 -0.73 1.16 0.00 -0.02 0.00 0.00 41.12 41.53 2d1p n ASP 42 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2d1p h GLY 43 N 1.44 0.00 2.00 0.44 0.00 0.12 -1.42 103.07 105.66 2d1p h GLY 43 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2d1p h GLY 43 CO 0.00 0.00 -0.10 -0.39 0.00 0.00 0.00 176.54 176.05 2d1p h VAL 44 N 0.00 0.41 0.00 4.60 -1.51 -1.56 -1.43 116.25 116.76 2d1p h VAL 44 Ca -0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2d1p h VAL 44 Cb 0.06 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2d1p h VAL 44 CO 0.00 0.10 0.00 -0.26 -1.23 0.00 0.00 177.57 176.18 2d1p h PHE 45 N 0.00 0.00 0.00 5.19 0.04 -1.51 -2.36 116.94 118.30 2d1p h PHE 45 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2d1p h PHE 45 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2d1p h PHE 45 CO 0.00 0.00 -0.24 1.96 -0.60 0.00 0.00 178.31 179.43 2d1p h GLN 46 N 0.00 0.00 0.00 1.51 1.08 -1.43 -3.13 115.11 113.14 2d1p h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2d1p h GLN 46 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2d1p h GLN 46 CO 0.00 0.24 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.02 2d1p h LEU 47 N 0.00 0.00 -9.93 1.46 3.38 -1.59 -3.47 115.31 105.16 2d1p h LEU 47 Ca -0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2d1p h LEU 47 Cb 0.44 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.29 2d1p h LEU 47 CO 0.03 0.00 0.77 -0.76 0.09 0.00 0.00 178.44 178.57 2d1p s LEU 48 N -4.88 4.33 0.60 1.67 1.02 -1.18 -1.03 118.68 119.21 2d1p s LEU 48 Ca 0.10 3.01 -0.05 0.00 0.02 0.00 0.00 54.13 57.20 2d1p s LEU 48 Cb 0.11 -3.66 0.02 0.00 0.02 0.00 0.00 46.19 42.68 2d1p s LEU 48 CO 0.62 -0.84 0.90 -2.16 0.02 0.00 0.00 176.35 174.89 2d1p s PRO 49 N -1.97 2.73 -0.64 1.29 0.04 -1.26 -4.39 135.00 130.81 2d1p s PRO 49 Ca 0.53 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2d1p s PRO 49 Cb -0.46 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2d1p s PRO 49 CO 0.61 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2d1p n GLY 50 N -2.60 0.83 3.72 0.56 0.00 -1.26 -5.00 105.19 101.43 2d1p n GLY 50 Ca 0.05 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2d1p n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d1p s GLN 51 N -2.20 4.47 -0.58 1.61 -0.21 -1.26 -4.98 119.66 116.51 2d1p s GLN 51 Ca 0.00 1.73 0.06 0.00 0.02 0.00 0.00 55.36 57.18 2d1p s GLN 51 Cb 0.00 -3.34 0.25 0.00 1.00 0.00 0.00 33.01 30.91 2d1p s GLN 51 CO 0.00 -0.18 0.69 1.63 -2.12 0.00 0.00 175.29 175.30 2d1p n LYS 52 N 3.65 2.05 0.28 2.91 4.76 -1.26 -4.96 118.16 125.59 2d1p n LYS 52 Ca 0.08 -4.30 0.16 0.00 -2.87 0.00 0.00 58.31 51.38 2d1p n LYS 52 Cb 0.47 -1.99 0.88 0.00 -1.84 0.00 0.00 35.03 32.55 2d1p n LYS 52 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2d1p h PRO 53 N 4.15 0.00 -0.11 1.97 0.13 -1.90 -2.44 132.00 133.80 2d1p h PRO 53 Ca 0.17 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 2d1p h PRO 53 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2d1p h PRO 53 CO 0.74 0.00 0.15 -0.44 -0.23 0.00 0.00 178.00 178.22 2d1p h ASP 54 N 0.00 0.00 -0.01 1.44 3.32 -1.92 0.84 116.42 120.09 2d1p h ASP 54 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2d1p h ASP 54 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2d1p h ASP 54 CO 0.00 0.00 0.01 0.00 -1.72 0.00 0.00 179.24 177.53 2d1p h ALA 55 N 1.79 1.55 -0.05 3.45 0.00 -1.77 -1.54 119.26 122.69 2d1p h ALA 55 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2d1p h ALA 55 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2d1p h ALA 55 CO -0.00 -0.02 -0.15 1.33 0.00 0.00 0.00 179.25 180.41 2d1p n VAL 56 N -3.85 2.07 -2.00 0.00 0.24 0.25 -4.97 118.33 110.08 2d1p n VAL 56 Ca -0.03 -2.55 -0.21 0.00 -2.04 0.00 0.00 64.34 59.52 2d1p n VAL 56 Cb 0.10 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 2d1p n VAL 56 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2d1p n LEU 57 N -1.23 -1.72 -4.89 1.34 4.77 -0.58 -4.99 117.00 109.69 2d1p n LEU 57 Ca 0.19 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 56.20 2d1p n LEU 57 Cb 0.71 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 2d1p n LEU 57 CO 0.02 -0.64 -0.10 0.00 -1.33 0.00 0.00 177.39 175.34 2d1p s ALA 58 N -2.90 3.76 0.12 -1.18 0.00 -0.97 -4.99 121.76 115.60 2d1p s ALA 58 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 2d1p s ALA 58 Cb 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.56 2d1p s ALA 58 CO 0.00 0.23 1.31 0.50 0.00 0.00 0.00 175.76 177.79 2d1p s ARG 59 N -3.92 4.38 -1.27 0.00 3.52 -1.26 -3.69 118.95 116.71 2d1p s ARG 59 Ca 0.34 1.97 -0.17 0.00 -0.13 0.00 0.00 55.73 57.74 2d1p s ARG 59 Cb -0.08 -3.27 0.09 0.00 -1.56 0.00 0.00 34.95 30.13 2d1p s ARG 59 CO 0.27 -0.33 1.65 0.34 -0.81 0.00 0.00 175.30 176.43 2d1p s ASP 60 N 0.90 6.89 0.00 -2.12 -1.08 -1.26 -4.66 116.67 115.33 2d1p s ASP 60 Ca 0.61 -2.56 0.22 0.00 -0.52 0.00 0.00 52.55 50.29 2d1p s ASP 60 Cb -0.34 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.45 2d1p s ASP 60 CO 0.32 -1.07 0.95 0.00 0.52 0.00 0.00 175.17 175.88 2d1p n TYR 61 N 7.72 0.01 -0.10 -5.34 0.18 -1.26 -4.31 117.16 114.06 2d1p n TYR 61 Ca 0.45 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.32 2d1p n TYR 61 Cb 0.45 -0.08 0.44 0.00 -0.38 0.00 0.00 39.34 39.77 2d1p n TYR 61 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 2d1p h ILE 62 N 0.00 0.98 -0.57 -3.48 1.08 -1.94 0.10 117.51 113.68 2d1p h ILE 62 Ca 0.00 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2d1p h ILE 62 Cb 0.54 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2d1p h ILE 62 CO 0.00 0.10 0.38 0.00 -0.69 0.00 0.00 178.15 177.94 2d1p h ALA 63 N 1.68 1.76 0.00 1.87 0.00 -1.96 -0.64 119.26 121.96 2d1p h ALA 63 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2d1p h ALA 63 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d1p h ALA 63 CO -0.08 0.17 -0.00 1.15 0.00 0.00 0.00 179.25 180.49 2d1p h THR 64 N 0.61 0.02 0.00 0.00 2.02 -1.06 -1.02 112.91 113.49 2d1p h THR 64 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2d1p h THR 64 Cb 0.16 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2d1p h THR 64 CO -0.06 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 175.57 2d1p h PHE 65 N 0.00 0.00 0.00 3.16 0.05 -1.17 -1.72 116.94 117.26 2d1p h PHE 65 Ca -0.00 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 2d1p h PHE 65 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 2d1p h PHE 65 CO 0.00 0.00 -0.28 0.87 -0.18 0.00 0.00 178.31 178.72 2d1p h LYS 66 N 0.00 0.00 0.00 1.51 1.79 -1.36 -2.22 116.57 116.30 2d1p h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2d1p h LYS 66 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2d1p h LYS 66 CO 0.00 0.28 0.00 1.28 -1.08 0.00 0.00 179.45 179.93 2d1p n LEU 67 N -4.07 0.00 -0.05 2.94 4.77 -0.65 -1.60 117.00 118.35 2d1p n LEU 67 Ca -0.02 0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 2d1p n LEU 67 Cb 0.34 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2d1p n LEU 67 CO 0.37 -0.30 0.43 -0.07 -1.33 0.00 0.00 177.39 176.49 2d1p h LEU 68 N 0.00 0.75 -0.22 2.23 4.07 -1.57 -1.61 115.31 118.96 2d1p h LEU 68 Ca 0.00 -0.57 -0.21 0.00 0.08 0.00 0.00 57.88 57.18 2d1p h LEU 68 Cb 0.20 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 41.73 2d1p h LEU 68 CO 0.00 1.18 -0.69 1.23 -1.08 0.00 0.00 178.44 179.08 2d1p h GLY 69 N 0.35 0.90 2.00 0.83 0.00 -1.44 -3.00 103.07 102.71 2d1p h GLY 69 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.14 2d1p h GLY 69 CO 0.10 1.06 0.00 1.04 0.00 0.00 0.00 176.54 178.74 2d1p n LEU 70 N -3.96 0.17 0.00 3.11 4.77 -0.78 -4.75 117.00 115.56 2d1p n LEU 70 Ca -0.06 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2d1p n LEU 70 Cb 0.70 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2d1p n LEU 70 CO 0.52 -0.25 0.00 -1.22 -1.33 0.00 0.00 177.39 175.11 2d1p n TYR 71 N -1.68 -0.40 0.00 -1.77 0.53 -0.61 -5.05 117.16 108.18 2d1p n TYR 71 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 2d1p n TYR 71 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.54 2d1p n TYR 71 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2d1p n ASP 72 N -0.92 0.00 -0.12 7.72 9.92 -1.26 -4.82 116.55 127.07 2d1p n ASP 72 Ca 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2d1p n ASP 72 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2d1p n ASP 72 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2d1p n ILE 73 N -0.06 0.00 -0.00 0.53 5.41 -1.26 -4.79 119.36 119.20 2d1p n ILE 73 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2d1p n ILE 73 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2d1p n ILE 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2d1p n GLU 74 N 0.18 1.95 -1.87 0.38 1.02 -1.26 -4.41 120.64 116.62 2d1p n GLU 74 Ca 0.00 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2d1p n GLU 74 Cb 0.00 -1.01 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 2d1p n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2d1p n GLN 75 N -1.77 1.63 -4.84 3.49 1.13 -1.26 -4.87 117.38 110.89 2d1p n GLN 75 Ca -0.00 -2.36 -0.33 0.00 -1.94 0.00 0.00 57.00 52.37 2d1p n GLN 75 Cb 0.26 -3.54 -0.16 0.00 0.11 0.00 0.00 30.24 26.92 2d1p n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d1p s TRP 77 N 0.50 1.55 -0.02 0.00 0.52 -0.01 -1.89 118.94 119.59 2d1p s TRP 77 Ca -0.12 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.60 2d1p s TRP 77 Cb -0.16 -0.86 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 2d1p s TRP 77 CO 0.05 0.15 -0.13 0.54 0.02 0.00 0.00 176.95 177.57 2d1p s VAL 78 N -1.23 1.06 -0.45 4.03 0.11 -1.12 -0.32 120.40 122.49 2d1p s VAL 78 Ca 0.03 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.24 2d1p s VAL 78 Cb -0.10 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2d1p s VAL 78 CO 0.03 0.31 1.41 0.00 -3.33 0.00 0.00 175.10 173.52 2d1p h ALA 80 N 10.81 1.34 -0.41 0.00 0.00 -1.66 -2.38 119.26 126.95 2d1p h ALA 80 Ca -0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2d1p h ALA 80 Cb 1.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2d1p h ALA 80 CO 1.11 0.50 0.25 0.00 0.00 0.00 0.00 179.25 181.12 2d1p h ALA 81 N 1.44 0.52 -0.51 0.00 0.00 -1.90 -2.25 119.26 116.57 2d1p h ALA 81 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2d1p h ALA 81 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2d1p h ALA 81 CO -0.02 0.01 0.22 1.03 0.00 0.00 0.00 179.25 180.48 2d1p h SER 82 N 0.55 0.68 -0.68 0.00 0.87 -1.85 -1.86 113.55 111.27 2d1p h SER 82 Ca 0.15 -0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2d1p h SER 82 Cb -0.02 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.69 2d1p h SER 82 CO -0.03 0.65 0.31 -0.07 -0.53 0.00 0.00 176.83 177.16 2d1p h LEU 83 N 0.67 0.36 -0.36 2.23 3.38 -1.19 -1.16 115.31 119.24 2d1p h LEU 83 Ca 0.17 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2d1p h LEU 83 Cb 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2d1p h LEU 83 CO -0.02 0.20 0.13 0.03 0.09 0.00 0.00 178.44 178.88 2d1p h ARG 84 N 0.52 0.55 -0.68 1.13 3.08 -1.03 -1.09 114.38 116.86 2d1p h ARG 84 Ca 0.34 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2d1p h ARG 84 Cb 0.40 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2d1p h ARG 84 CO -0.29 0.55 0.45 0.93 -1.07 0.00 0.00 179.97 180.54 2d1p h GLU 85 N 0.44 0.69 -0.41 0.04 5.08 -0.55 -1.80 114.58 118.07 2d1p h GLU 85 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2d1p h GLU 85 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2d1p h GLU 85 CO -0.01 0.45 0.00 0.54 -1.00 0.00 0.00 179.01 179.00 2d1p n ARG 86 N -4.48 2.00 -2.74 2.33 1.74 -0.51 -4.94 116.66 110.06 2d1p n ARG 86 Ca 0.10 -1.54 -0.20 0.00 -0.77 0.00 0.00 57.85 55.43 2d1p n ARG 86 Cb 0.22 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 2d1p n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d1p n GLY 87 N 1.20 -0.43 3.67 -0.13 0.00 -0.68 -5.00 105.19 103.82 2d1p n GLY 87 Ca 0.15 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2d1p n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d1p s LEU 88 N -6.00 4.01 0.03 0.99 1.43 -0.46 -5.04 118.68 113.65 2d1p s LEU 88 Ca 0.18 0.14 -0.32 0.00 -1.03 0.00 0.00 54.13 53.09 2d1p s LEU 88 Cb -0.08 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.00 2d1p s LEU 88 CO 0.22 0.15 1.87 -0.67 0.23 0.00 0.00 176.35 178.15 2d1p n ASP 89 N 3.68 3.79 0.05 2.29 2.03 -1.26 -4.50 116.55 122.64 2d1p n ASP 89 Ca -0.16 0.97 0.06 0.00 0.52 0.00 0.00 54.79 56.18 2d1p n ASP 89 Cb 0.52 -1.47 0.28 0.00 -0.72 0.00 0.00 41.12 39.73 2d1p n ASP 89 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2d1p n PRO 90 N 6.27 0.06 -0.42 -0.67 -0.04 -1.26 -1.47 135.00 137.47 2d1p n PRO 90 Ca 0.20 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 2d1p n PRO 90 Cb 0.35 -1.65 0.33 0.00 -0.04 0.00 0.00 33.50 32.49 2d1p n PRO 90 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2d1p n GLN 91 N -1.76 2.88 -1.72 0.54 1.13 -1.26 -4.97 117.38 112.22 2d1p n GLN 91 Ca 0.01 -2.64 -0.43 0.00 -1.94 0.00 0.00 57.00 52.00 2d1p n GLN 91 Cb 0.09 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.79 2d1p n GLN 91 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2d1p n THR 92 N 1.52 0.69 -2.44 5.09 -1.04 -0.54 -4.85 114.28 112.71 2d1p n THR 92 Ca 0.24 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.69 2d1p n THR 92 Cb 0.66 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 2d1p n THR 92 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2d1p s PRO 93 N 0.00 3.56 0.78 -2.82 0.04 -1.26 -4.96 135.00 130.35 2d1p s PRO 93 Ca 0.69 -1.73 -0.15 0.00 0.04 0.00 0.00 61.00 59.85 2d1p s PRO 93 Cb -0.55 -5.45 0.03 0.00 0.04 0.00 0.00 34.50 28.57 2d1p s PRO 93 CO 0.44 -2.73 0.91 1.19 0.04 0.00 0.00 177.00 176.85 2d1p n PHE 94 N 10.07 0.37 0.95 0.56 3.72 -1.26 -4.54 117.46 127.32 2d1p n PHE 94 Ca 0.47 0.37 0.11 0.00 -0.05 0.00 0.00 57.45 58.35 2d1p n PHE 94 Cb 0.46 -2.02 0.53 0.00 -0.94 0.00 0.00 39.48 37.51 2d1p n PHE 94 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2d1p n VAL 95 N -2.93 0.37 -4.47 -4.37 0.24 -0.20 -4.64 118.33 102.32 2d1p n VAL 95 Ca 0.12 0.09 -0.20 0.00 -2.04 0.00 0.00 64.34 62.31 2d1p n VAL 95 Cb 0.50 -0.72 -0.15 0.00 -1.47 0.00 0.00 33.84 32.00 2d1p n VAL 95 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2d1p s VAL 96 N -2.72 0.87 -1.29 3.34 1.01 -1.26 -4.51 120.40 115.83 2d1p s VAL 96 Ca 0.17 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2d1p s VAL 96 Cb 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2d1p s VAL 96 CO 0.36 0.25 2.06 -0.62 0.00 0.00 0.00 175.10 177.15 2d1p n GLU 97 N 2.86 2.60 -3.64 2.72 -0.58 -1.26 -4.91 120.64 118.42 2d1p n GLU 97 Ca -0.14 -2.59 -0.36 0.00 -0.42 0.00 0.00 57.16 53.65 2d1p n GLU 97 Cb 0.56 -3.29 -0.08 0.00 -0.57 0.00 0.00 31.44 28.06 2d1p n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d1p s ALA 98 N 4.17 3.64 -0.15 0.62 0.00 -1.26 -4.61 121.76 124.16 2d1p s ALA 98 Ca 0.51 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 2d1p s ALA 98 Cb 0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 2d1p s ALA 98 CO -0.01 0.01 0.49 0.95 0.00 0.00 0.00 175.76 177.20 2d1p s THR 99 N 0.66 5.16 0.53 0.00 -4.23 -0.79 -4.70 115.64 112.27 2d1p s THR 99 Ca 0.11 0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 61.34 2d1p s THR 99 Cb -0.12 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 2d1p s THR 99 CO 0.02 0.28 1.29 -2.16 -0.54 0.00 0.00 174.62 173.50 2d1p s PRO 100 N 0.97 3.29 0.01 3.99 0.04 -1.26 -2.77 135.00 139.28 2d1p s PRO 100 Ca 0.25 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2d1p s PRO 100 Cb -0.15 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2d1p s PRO 100 CO 0.10 -1.01 -0.03 -0.51 0.04 0.00 0.00 177.00 175.59 2d1p s LEU 101 N -3.44 2.14 0.73 -3.56 1.43 -0.55 -4.88 118.68 110.54 2d1p s LEU 101 Ca 0.70 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 2d1p s LEU 101 Cb -0.36 0.01 0.03 0.00 0.03 0.00 0.00 46.19 45.90 2d1p s LEU 101 CO 0.42 -0.15 1.11 -1.61 0.23 0.00 0.00 176.35 176.35 2d1p s GLU 102 N -0.84 2.68 0.14 1.70 0.41 -1.26 -1.66 118.70 119.87 2d1p s GLU 102 Ca -0.08 0.43 -0.30 0.00 -0.41 0.00 0.00 54.97 54.61 2d1p s GLU 102 Cb -0.06 -2.00 -0.08 0.00 -1.78 0.00 0.00 34.13 30.21 2d1p s GLU 102 CO -0.00 -1.16 1.51 0.00 -0.49 0.00 0.00 175.26 175.12 2d1p h ALA 103 N -0.74 -0.63 -0.51 5.21 0.00 -1.98 -0.23 119.26 120.37 2d1p h ALA 103 Ca -0.45 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.59 2d1p h ALA 103 Cb 1.26 1.24 -0.06 0.00 0.00 0.00 0.00 17.79 20.23 2d1p h ALA 103 CO 0.64 -0.96 0.19 0.38 0.00 0.00 0.00 179.25 179.50 2d1p h ASP 104 N -0.18 0.20 -0.11 0.00 3.04 -1.99 -0.50 116.42 116.87 2d1p h ASP 104 Ca 0.11 0.06 -0.02 0.00 -3.24 0.00 0.00 57.03 53.95 2d1p h ASP 104 Cb 0.47 0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.79 2d1p h ASP 104 CO -0.73 0.14 0.01 0.00 -2.04 0.00 0.00 179.24 176.62 2d1p h ALA 105 N 1.34 0.15 -0.37 4.15 0.00 -1.79 -1.67 119.26 121.07 2d1p h ALA 105 Ca 0.25 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2d1p h ALA 105 Cb 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2d1p h ALA 105 CO -0.25 -0.18 0.12 1.25 0.00 0.00 0.00 179.25 180.19 2d1p h LEU 106 N -0.05 0.11 -0.44 0.00 6.46 -0.87 -0.73 115.31 119.79 2d1p h LEU 106 Ca 0.03 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2d1p h LEU 106 Cb 0.32 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2d1p h LEU 106 CO 0.00 0.10 0.13 -0.09 -0.62 0.00 0.00 178.44 177.97 2d1p h ARG 107 N 0.27 0.28 -0.50 1.25 2.43 -0.96 -0.99 114.38 116.15 2d1p h ARG 107 Ca 0.17 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2d1p h ARG 107 Cb 0.16 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2d1p h ARG 107 CO -0.19 0.19 -0.05 0.00 -1.51 0.00 0.00 179.97 178.41 2d1p h ARG 108 N 0.29 0.88 -0.47 0.20 3.08 -0.79 -2.54 114.38 115.03 2d1p h ARG 108 Ca 0.21 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2d1p h ARG 108 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2d1p h ARG 108 CO -0.23 0.90 0.16 1.49 -1.07 0.00 0.00 179.97 181.22 2d1p h GLU 109 N 0.80 0.72 -0.33 0.04 4.57 -0.54 -2.84 114.58 116.99 2d1p h GLU 109 Ca 0.14 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2d1p h GLU 109 Cb 0.54 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2d1p h GLU 109 CO 0.03 0.67 -0.02 1.25 -1.18 0.00 0.00 179.01 179.76 2d1p h LEU 110 N 0.62 0.49 0.00 1.64 5.85 -1.06 -2.47 115.31 120.38 2d1p h LEU 110 Ca 0.15 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2d1p h LEU 110 Cb 0.24 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2d1p h LEU 110 CO -0.01 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 2d1p n ALA 111 N -2.48 1.22 1.36 1.25 0.00 -0.97 -1.87 120.51 119.03 2d1p n ALA 111 Ca 0.01 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2d1p n ALA 111 Cb 0.26 -1.07 0.64 0.00 0.00 0.00 0.00 19.45 19.28 2d1p n ALA 111 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d1p n ASN 112 N -1.48 0.28 -4.83 0.00 3.02 -0.93 -4.88 115.26 106.44 2d1p n ASN 112 Ca 0.01 -0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 2d1p n ASN 112 Cb 0.05 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2d1p n ASN 112 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2d1p s TYR 113 N -2.57 3.33 0.02 3.10 1.51 -0.78 -4.88 117.35 117.07 2d1p s TYR 113 Ca 0.27 0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 56.43 2d1p s TYR 113 Cb 0.20 -1.70 -0.30 0.00 -0.11 0.00 0.00 41.96 40.05 2d1p s TYR 113 CO 0.49 0.56 0.92 -0.44 -1.11 0.00 0.00 175.55 175.96 2d1p h ASP 114 N 3.39 0.52 -3.60 2.29 3.32 -1.49 -3.46 116.42 117.39 2d1p h ASP 114 Ca -0.47 -0.65 -0.61 0.00 0.02 0.00 0.00 57.03 55.32 2d1p h ASP 114 Cb 1.17 -0.17 -0.32 0.00 0.22 0.00 0.00 39.33 40.22 2d1p h ASP 114 CO 0.69 1.53 -0.85 -0.69 -1.72 0.00 0.00 179.24 178.20 2d1p s VAL 115 N -2.62 1.65 -0.17 -1.35 1.01 -0.97 -5.00 120.40 112.94 2d1p s VAL 115 Ca -0.09 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2d1p s VAL 115 Cb 0.06 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2d1p s VAL 115 CO 0.88 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 175.68 2d1p s ILE 116 N 0.28 1.66 -0.29 2.22 1.01 -1.26 -0.20 121.20 124.62 2d1p s ILE 116 Ca -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2d1p s ILE 116 Cb -0.15 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2d1p s ILE 116 CO 0.05 0.34 0.05 -0.76 0.00 0.00 0.00 174.94 174.63 2d1p s LEU 117 N 1.43 3.71 -0.14 2.97 1.43 -0.12 -5.00 118.68 122.96 2d1p s LEU 117 Ca 0.02 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 2d1p s LEU 117 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2d1p s LEU 117 CO -0.10 -0.18 0.11 -0.60 0.23 0.00 0.00 176.35 175.82 2d1p s ARG 118 N 1.46 3.57 0.00 1.70 3.52 -1.26 -0.82 118.95 127.12 2d1p s ARG 118 Ca 0.02 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 2d1p s ARG 118 Cb -0.17 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2d1p s ARG 118 CO 0.01 0.64 0.26 1.19 -0.81 0.00 0.00 175.30 176.59