#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1p s LYS 2 N 0.00 3.47 -0.17 0.03 -0.14 -1.26 -5.04 119.74 116.63 2d1p s LYS 2 Ca 0.00 -0.14 -0.06 0.00 -1.36 0.00 0.00 55.97 54.41 2d1p s LYS 2 Cb 0.00 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2d1p s LYS 2 CO 0.00 0.75 0.03 1.03 -0.76 0.00 0.00 175.35 176.40 2d1p s ARG 3 N -1.26 3.88 -0.16 1.68 0.52 -1.26 -4.91 118.95 117.43 2d1p s ARG 3 Ca 0.19 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.95 2d1p s ARG 3 Cb -0.12 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 2d1p s ARG 3 CO 0.08 0.26 -0.00 0.42 0.02 0.00 0.00 175.30 176.08 2d1p s ILE 4 N 0.37 4.23 -0.14 1.52 1.01 -0.79 -1.09 121.20 126.31 2d1p s ILE 4 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2d1p s ILE 4 Cb -0.13 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 2d1p s ILE 4 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 174.94 175.33 2d1p s ALA 5 N 0.34 2.71 -0.20 9.38 0.00 0.53 -1.68 121.76 132.84 2d1p s ALA 5 Ca -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2d1p s ALA 5 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2d1p s ALA 5 CO 0.02 0.18 0.04 -0.06 0.00 0.00 0.00 175.76 175.93 2d1p s PHE 6 N 0.46 3.12 -0.20 0.00 0.08 -0.13 -1.11 117.98 120.21 2d1p s PHE 6 Ca -0.08 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2d1p s PHE 6 Cb -0.15 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2d1p s PHE 6 CO 0.04 -0.11 -0.16 0.14 -0.10 0.00 0.00 175.22 175.03 2d1p s VAL 7 N 0.89 2.30 -0.35 -0.44 -7.23 -0.12 -0.54 120.40 114.91 2d1p s VAL 7 Ca 0.03 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.08 2d1p s VAL 7 Cb -0.14 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2d1p s VAL 7 CO 0.02 0.46 0.48 -0.36 -0.31 0.00 0.00 175.10 175.39 2d1p s PHE 8 N 1.30 3.19 0.00 2.82 0.08 0.49 -0.52 117.98 125.34 2d1p s PHE 8 Ca 0.04 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.22 2d1p s PHE 8 Cb -0.14 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 2d1p s PHE 8 CO -0.10 -0.51 0.50 -1.13 -0.10 0.00 0.00 175.22 173.87 2d1p n SER 9 N 5.65 0.96 -4.52 1.36 3.41 0.22 -1.18 113.62 119.52 2d1p n SER 9 Ca -0.06 -1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 57.13 2d1p n SER 9 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.15 2.89 0.58 6.66 -4.23 -1.16 -2.38 115.64 117.85 2d1p s THR 10 Ca 0.00 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 58.57 2d1p s THR 10 Cb 0.00 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2d1p s THR 10 CO 0.00 -0.10 1.08 0.00 -0.54 0.00 0.00 174.62 175.07 2d1p s ALA 11 N -1.65 2.68 0.57 3.99 0.00 -1.23 -3.50 121.76 122.62 2d1p s ALA 11 Ca 0.23 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 2d1p s ALA 11 Cb -0.09 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2d1p s ALA 11 CO 0.13 -0.85 1.03 -1.25 0.00 0.00 0.00 175.76 174.82 2d1p s PRO 12 N -3.78 3.55 0.00 0.00 0.04 -1.26 -4.38 135.00 129.16 2d1p s PRO 12 Ca 0.67 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2d1p s PRO 12 Cb -0.19 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2d1p s PRO 12 CO 0.33 -0.61 0.00 0.72 0.04 0.00 0.00 177.00 177.48 2d1p n HIS 13 N -1.94 0.00 -0.10 0.56 8.25 -1.26 -4.63 115.22 116.10 2d1p n HIS 13 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 2d1p n HIS 13 Cb 0.53 0.00 0.44 0.00 1.12 0.00 0.00 29.99 32.08 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 0.71 -4.29 -1.41 0.00 -2.01 -3.42 103.07 92.65 2d1p h GLY 14 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 2d1p h GLY 14 CO 0.00 0.16 -0.72 -1.59 0.00 0.00 0.00 176.54 174.39 2d1p s THR 15 N -5.50 0.56 -2.04 4.70 2.01 -1.26 -5.05 115.64 109.05 2d1p s THR 15 Ca -0.08 -1.31 0.10 0.00 0.31 0.00 0.00 61.69 60.71 2d1p s THR 15 Cb 0.19 -0.89 0.27 0.00 0.01 0.00 0.00 72.50 72.07 2d1p s THR 15 CO 0.75 -0.53 1.31 0.00 -0.69 0.00 0.00 174.62 175.47 2d1p n ALA 16 N 1.05 2.52 -0.22 7.40 0.00 -1.26 -4.33 120.51 125.66 2d1p n ALA 16 Ca -0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 52.99 2d1p n ALA 16 Cb 0.56 -1.08 0.11 0.00 0.00 0.00 0.00 19.45 19.04 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 3.44 0.86 -0.30 0.00 0.00 -1.96 -1.77 119.26 119.55 2d1p h ALA 17 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2d1p h ALA 17 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2d1p h ALA 17 CO 0.00 -0.08 0.19 0.78 0.00 0.00 0.00 179.25 180.14 2d1p h GLY 18 N 0.54 0.42 0.99 0.00 0.00 -1.87 0.12 103.07 103.28 2d1p h GLY 18 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2d1p h GLY 18 CO -0.25 0.16 0.06 -0.09 0.00 0.00 0.00 176.54 176.42 2d1p h ARG 19 N 0.39 0.12 0.00 4.80 1.12 -1.78 0.16 114.38 119.19 2d1p h ARG 19 Ca 0.11 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.90 2d1p h ARG 19 Cb -0.02 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 2d1p h ARG 19 CO -0.02 0.08 -0.34 0.93 -3.11 0.00 0.00 179.97 177.51 2d1p h GLU 20 N 0.12 0.00 -0.12 0.20 5.08 -1.24 -1.76 114.58 116.86 2d1p h GLU 20 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2d1p h GLU 20 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2d1p h GLU 20 CO -0.01 0.34 -0.32 0.78 -1.00 0.00 0.00 179.01 178.80 2d1p h GLY 21 N 2.29 0.47 1.07 -3.84 0.00 -0.43 -2.02 103.07 100.61 2d1p h GLY 21 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2d1p h GLY 21 CO 0.04 0.52 0.58 -2.00 0.00 0.00 0.00 176.54 175.69 2d1p h LEU 22 N 0.01 1.09 -0.64 3.11 5.85 -0.79 0.14 115.31 124.07 2d1p h LEU 22 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2d1p h LEU 22 Cb 0.93 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2d1p h LEU 22 CO 0.07 0.81 0.37 0.44 -0.34 0.00 0.00 178.44 179.79 2d1p h ASP 23 N 1.26 0.79 -0.30 1.25 3.32 -1.25 -1.12 116.42 120.37 2d1p h ASP 23 Ca 0.33 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2d1p h ASP 23 Cb -0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2d1p h ASP 23 CO -0.07 0.64 -0.20 0.00 -1.72 0.00 0.00 179.24 177.89 2d1p h ALA 24 N 1.19 0.91 -0.14 3.45 0.00 -0.61 -2.20 119.26 121.86 2d1p h ALA 24 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2d1p h ALA 24 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2d1p h ALA 24 CO -0.04 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.16 2d1p h LEU 25 N 0.68 0.17 -0.66 0.00 5.85 -0.36 -1.81 115.31 119.18 2d1p h LEU 25 Ca 0.10 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2d1p h LEU 25 Cb 0.70 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2d1p h LEU 25 CO 0.05 0.21 0.01 -0.07 -0.34 0.00 0.00 178.44 178.30 2d1p h LEU 26 N 0.12 1.03 -1.00 2.25 3.38 -1.12 -0.94 115.31 119.04 2d1p h LEU 26 Ca 0.05 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2d1p h LEU 26 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2d1p h LEU 26 CO -0.01 1.07 0.04 0.00 0.09 0.00 0.00 178.44 179.64 2d1p h ALA 27 N 1.03 1.18 -0.24 1.53 0.00 -1.32 -2.76 119.26 118.68 2d1p h ALA 27 Ca 0.17 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2d1p h ALA 27 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2d1p h ALA 27 CO 0.03 0.54 -0.53 1.15 0.00 0.00 0.00 179.25 180.44 2d1p h THR 28 N 0.72 1.30 -0.05 0.00 2.02 -1.02 -2.93 112.91 112.96 2d1p h THR 28 Ca 0.15 -1.74 0.01 0.00 0.77 0.00 0.00 66.41 65.60 2d1p h THR 28 Cb 0.38 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2d1p h THR 28 CO 0.01 0.55 0.09 0.77 0.37 0.00 0.00 175.52 177.31 2d1p h SER 29 N 0.54 0.00 1.27 4.18 4.64 -0.88 0.82 113.55 124.12 2d1p h SER 29 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2d1p h SER 29 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2d1p h SER 29 CO 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 2d1p n ALA 30 N -2.20 2.14 0.49 5.18 0.00 -1.10 -3.49 120.51 121.52 2d1p n ALA 30 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2d1p n ALA 30 Cb 0.17 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.20 1.02 -3.54 0.00 4.77 0.25 -5.04 117.00 112.26 2d1p n LEU 31 Ca 0.05 -0.68 -0.14 0.00 -0.03 0.00 0.00 56.01 55.21 2d1p n LEU 31 Cb 0.38 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 2d1p n LEU 31 CO 0.28 0.21 0.60 0.28 -1.33 0.00 0.00 177.39 177.43 2d1p s THR 32 N -1.62 0.00 -0.64 -5.08 -1.32 -1.02 -5.01 115.64 100.95 2d1p s THR 32 Ca 0.07 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.77 2d1p s THR 32 Cb 0.09 -1.00 -0.26 0.00 -1.51 0.00 0.00 72.50 69.81 2d1p s THR 32 CO 0.33 0.00 0.76 0.47 -2.21 0.00 0.00 174.62 173.97 2d1p n ASP 33 N 0.66 0.63 -3.68 8.08 8.00 -1.26 -4.46 116.55 124.51 2d1p n ASP 33 Ca -0.14 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.34 2d1p n ASP 33 Cb 0.58 1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 43.02 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 -1.79 5.62 -3.94 -2.24 10.43 -1.26 -4.90 116.55 118.47 2d1p n ASP 34 Ca 0.01 -2.94 -0.09 0.00 2.57 0.00 0.00 54.79 54.33 2d1p n ASP 34 Cb 0.42 -1.54 -0.10 0.00 1.84 0.00 0.00 41.12 41.75 2d1p n ASP 34 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2d1p s LEU 35 N 0.43 1.89 0.06 0.64 0.05 -1.26 -1.88 118.68 118.61 2d1p s LEU 35 Ca 0.49 -0.49 0.00 0.00 0.05 0.00 0.00 54.13 54.17 2d1p s LEU 35 Cb 0.14 0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 2d1p s LEU 35 CO -0.05 -0.45 -0.04 0.00 -0.55 0.00 0.00 176.35 175.26 2d1p s ALA 36 N -2.22 0.64 -0.07 1.48 0.00 -0.68 -4.51 121.76 116.40 2d1p s ALA 36 Ca -0.08 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2d1p s ALA 36 Cb -0.04 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2d1p s ALA 36 CO -0.03 -0.29 -0.16 0.54 0.00 0.00 0.00 175.76 175.83 2d1p s VAL 37 N -3.46 1.39 -0.08 0.00 0.11 0.56 -0.95 120.40 117.97 2d1p s VAL 37 Ca 0.06 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2d1p s VAL 37 Cb 0.04 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2d1p s VAL 37 CO -0.07 0.41 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.55 2d1p s PHE 38 N 0.49 2.58 -0.32 1.54 0.08 0.30 -0.60 117.98 122.05 2d1p s PHE 38 Ca -0.14 -0.67 -0.01 0.00 0.12 0.00 0.00 56.93 56.22 2d1p s PHE 38 Cb -0.16 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2d1p s PHE 38 CO 0.05 -0.19 0.04 -0.06 -0.10 0.00 0.00 175.22 174.96 2d1p s PHE 39 N -0.05 3.35 0.25 0.36 0.08 0.25 -0.38 117.98 121.85 2d1p s PHE 39 Ca -0.05 -2.05 0.05 0.00 0.12 0.00 0.00 56.93 54.99 2d1p s PHE 39 Cb -0.14 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2d1p s PHE 39 CO 0.05 -0.85 -0.03 0.96 -0.10 0.00 0.00 175.22 175.25 2d1p s ILE 40 N 1.21 1.29 0.00 0.64 -4.36 -0.33 -0.86 121.20 118.79 2d1p s ILE 40 Ca -0.02 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 2d1p s ILE 40 Cb -0.20 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2d1p s ILE 40 CO -0.02 -0.32 0.00 0.00 0.24 0.00 0.00 174.94 174.84 2d1p n ALA 41 N -0.49 0.00 0.29 2.27 0.00 -1.26 -0.44 120.51 120.88 2d1p n ALA 41 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 2d1p n ALA 41 Cb 0.64 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.84 2d1p n ALA 41 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2d1p h ASP 42 N 3.51 0.00 0.00 0.00 3.32 -1.81 -2.86 116.42 118.58 2d1p h ASP 42 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2d1p h ASP 42 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2d1p h ASP 42 CO 0.00 0.00 0.05 1.23 -1.72 0.00 0.00 179.24 178.80 2d1p h GLY 43 N 1.04 0.00 2.00 2.75 0.00 -0.37 -1.12 103.07 107.37 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 -0.12 -0.39 0.00 0.00 0.00 176.54 176.03 2d1p h VAL 44 N 0.00 0.70 0.00 4.60 -1.51 -1.61 -1.20 116.25 117.23 2d1p h VAL 44 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2d1p h VAL 44 Cb 0.09 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2d1p h VAL 44 CO 0.00 0.12 0.00 -0.26 -1.23 0.00 0.00 177.57 176.20 2d1p h PHE 45 N 0.00 0.00 0.00 5.19 0.04 -1.46 -2.22 116.94 118.49 2d1p h PHE 45 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2d1p h PHE 45 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2d1p h PHE 45 CO 0.00 0.00 -0.13 1.96 -0.60 0.00 0.00 178.31 179.54 2d1p h GLN 46 N 0.00 0.00 0.00 1.51 1.08 -1.39 -3.03 115.11 113.29 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 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2d1p h GLN 46 CO 0.00 0.13 0.00 1.28 -0.95 0.00 0.00 178.83 179.29 2d1p n LEU 47 N -4.38 0.69 -4.75 1.46 4.77 -0.83 -4.91 117.00 109.05 2d1p n LEU 47 Ca -0.03 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 2d1p n LEU 47 Cb 0.20 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2d1p n LEU 47 CO 0.36 -0.24 1.17 -0.76 -1.33 0.00 0.00 177.39 176.59 2d1p s LEU 48 N -4.34 4.36 0.60 2.23 1.02 -1.14 -1.22 118.68 120.19 2d1p s LEU 48 Ca 0.10 2.81 -0.08 0.00 0.02 0.00 0.00 54.13 56.98 2d1p s LEU 48 Cb 0.12 -3.63 -0.00 0.00 0.02 0.00 0.00 46.19 42.70 2d1p s LEU 48 CO 0.54 -0.80 0.94 -2.16 0.02 0.00 0.00 176.35 174.89 2d1p s PRO 49 N -0.52 3.08 -0.07 1.29 0.04 -1.26 -4.25 135.00 133.30 2d1p s PRO 49 Ca 0.61 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2d1p s PRO 49 Cb -0.45 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2d1p s PRO 49 CO 0.46 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2d1p n GLY 50 N -2.65 0.40 3.76 0.56 0.00 -1.26 -5.00 105.19 101.00 2d1p n GLY 50 Ca 0.05 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.80 4.38 -0.48 1.61 -0.21 -1.26 -4.98 119.66 117.92 2d1p s GLN 51 Ca 0.00 2.16 0.07 0.00 0.02 0.00 0.00 55.36 57.60 2d1p s GLN 51 Cb 0.00 -3.11 0.23 0.00 1.00 0.00 0.00 33.01 31.13 2d1p s GLN 51 CO 0.00 -0.20 0.55 1.63 -2.12 0.00 0.00 175.29 175.15 2d1p n LYS 52 N 1.47 1.17 0.27 2.91 5.02 -1.26 -4.98 118.16 122.77 2d1p n LYS 52 Ca 0.02 -3.67 0.18 0.00 -2.02 0.00 0.00 58.31 52.82 2d1p n LYS 52 Cb 0.42 -1.61 0.94 0.00 -0.02 0.00 0.00 35.03 34.76 2d1p n LYS 52 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2d1p h PRO 53 N 4.36 0.00 0.00 1.97 0.13 -1.89 -2.48 132.00 134.09 2d1p h PRO 53 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2d1p h PRO 53 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2d1p h PRO 53 CO 0.56 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.71 2d1p h ASP 54 N 0.00 0.00 0.09 1.44 -0.00 -1.90 0.11 116.42 116.16 2d1p h ASP 54 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 2d1p h ASP 54 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.38 2d1p h ASP 54 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 179.24 179.17 2d1p h ALA 55 N 2.00 1.73 -0.11 4.15 0.00 -1.76 -1.75 119.26 123.52 2d1p h ALA 55 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2d1p h ALA 55 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2d1p h ALA 55 CO 0.00 0.08 -0.21 1.33 0.00 0.00 0.00 179.25 180.46 2d1p n VAL 56 N -4.23 2.20 -2.08 0.00 0.24 0.31 -4.96 118.33 109.81 2d1p n VAL 56 Ca -0.03 -2.70 -0.20 0.00 -2.04 0.00 0.00 64.34 59.38 2d1p n VAL 56 Cb 0.15 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.14 -1.74 -4.80 1.34 4.77 -0.66 -5.00 117.00 109.77 2d1p n LEU 57 Ca 0.22 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.07 2d1p n LEU 57 Cb 0.77 -2.80 -0.06 0.00 -2.33 0.00 0.00 43.42 39.01 2d1p n LEU 57 CO 0.05 -0.51 -0.23 0.00 -1.33 0.00 0.00 177.39 175.36 2d1p s ALA 58 N -2.90 3.62 0.23 -1.18 0.00 -0.74 -4.97 121.76 115.82 2d1p s ALA 58 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 2d1p s ALA 58 Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 23.12 21.56 2d1p s ALA 58 CO 0.00 0.68 1.32 0.50 0.00 0.00 0.00 175.76 178.25 2d1p s ARG 59 N -2.64 4.38 -1.30 0.00 3.52 -1.26 -3.27 118.95 118.37 2d1p s ARG 59 Ca 0.30 2.11 -0.16 0.00 -0.13 0.00 0.00 55.73 57.85 2d1p s ARG 59 Cb -0.12 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.20 2d1p s ARG 59 CO 0.23 -0.24 1.75 -3.47 -0.81 0.00 0.00 175.30 172.76 2d1p n ASP 60 N 2.22 4.86 -0.09 -2.12 2.03 -1.26 -4.66 116.55 117.53 2d1p n ASP 60 Ca 0.05 -2.93 0.13 0.00 0.52 0.00 0.00 54.79 52.56 2d1p n ASP 60 Cb 0.42 -1.69 0.35 0.00 -0.72 0.00 0.00 41.12 39.49 2d1p n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d1p n TYR 61 N 7.33 0.00 -0.32 -0.67 0.18 -1.26 -3.93 117.16 118.49 2d1p n TYR 61 Ca 0.47 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 60.24 2d1p n TYR 61 Cb 0.44 -0.22 0.17 0.00 -0.38 0.00 0.00 39.34 39.35 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 0.46 1.22 -0.94 -3.48 1.08 -1.94 -1.09 117.51 112.81 2d1p h ILE 62 Ca 0.00 -0.42 0.18 0.00 -0.39 0.00 0.00 64.86 64.23 2d1p h ILE 62 Cb 0.49 -0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.05 2d1p h ILE 62 CO 0.00 0.22 0.60 0.00 -0.69 0.00 0.00 178.15 178.28 2d1p h ALA 63 N 1.44 1.88 0.00 1.87 0.00 -1.97 0.12 119.26 122.60 2d1p h ALA 63 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2d1p h ALA 63 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2d1p h ALA 63 CO -0.08 -0.18 0.00 1.15 0.00 0.00 0.00 179.25 180.14 2d1p h THR 64 N 0.65 0.00 0.00 0.00 2.02 -1.44 -1.49 112.91 112.65 2d1p h THR 64 Ca 0.50 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.61 2d1p h THR 64 Cb 0.91 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2d1p h THR 64 CO -0.26 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 175.37 2d1p h PHE 65 N 0.00 0.00 0.00 3.16 -1.00 -0.82 -1.50 116.94 116.78 2d1p h PHE 65 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2d1p h PHE 65 Cb 0.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 2d1p h PHE 65 CO 0.00 0.00 -0.03 -0.22 -1.61 0.00 0.00 178.31 176.45 2d1p h LYS 66 N 0.00 0.00 0.00 1.51 3.64 -1.43 -1.81 116.57 118.47 2d1p h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2d1p h LYS 66 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2d1p h LYS 66 CO 0.00 0.03 0.00 -0.07 -2.27 0.00 0.00 179.45 177.14 2d1p h LEU 67 N 0.00 0.00 -0.37 5.20 3.38 -1.49 -2.34 115.31 119.69 2d1p h LEU 67 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2d1p h LEU 67 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2d1p h LEU 67 CO 0.00 0.00 -0.20 -0.07 0.09 0.00 0.00 178.44 178.26 2d1p h LEU 68 N 0.00 0.81 -0.29 1.67 4.07 -1.52 -0.11 115.31 119.94 2d1p h LEU 68 Ca 0.00 -0.41 -0.20 0.00 0.08 0.00 0.00 57.88 57.35 2d1p h LEU 68 Cb 0.24 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2d1p h LEU 68 CO 0.00 1.05 -0.70 1.23 -1.08 0.00 0.00 178.44 178.94 2d1p h GLY 69 N 0.57 0.76 1.00 0.83 0.00 -1.61 -1.11 103.07 103.51 2d1p h GLY 69 Ca 0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 2d1p h GLY 69 CO 0.06 0.91 0.34 1.41 0.00 0.00 0.00 176.54 179.26 2d1p h LEU 70 N 0.49 0.79 -3.88 3.11 3.38 -1.29 -3.26 115.31 114.66 2d1p h LEU 70 Ca -0.03 -0.10 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 2d1p h LEU 70 Cb 1.30 -0.20 -0.34 0.00 0.09 0.00 0.00 40.66 41.50 2d1p h LEU 70 CO 0.14 0.66 0.15 -1.22 0.09 0.00 0.00 178.44 178.26 2d1p n TYR 71 N -4.54 2.98 -2.93 1.13 4.02 -0.07 -4.97 117.16 112.78 2d1p n TYR 71 Ca 0.05 -2.65 -0.20 0.00 -0.01 0.00 0.00 57.90 55.08 2d1p n TYR 71 Cb 0.09 -0.97 0.01 0.00 -0.02 0.00 0.00 39.34 38.45 2d1p n TYR 71 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2d1p n ASP 72 N -0.84 -4.76 -4.41 7.72 10.43 -1.20 -4.93 116.55 118.56 2d1p n ASP 72 Ca 0.54 -0.18 -0.45 0.00 2.57 0.00 0.00 54.79 57.28 2d1p n ASP 72 Cb 0.81 -3.92 -0.02 0.00 1.84 0.00 0.00 41.12 39.83 2d1p n ASP 72 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2d1p s ILE 73 N -2.95 5.09 -0.11 0.53 1.01 -0.43 -4.82 121.20 119.53 2d1p s ILE 73 Ca 0.23 -2.08 0.21 0.00 0.00 0.00 0.00 60.65 59.01 2d1p s ILE 73 Cb -0.11 -4.70 -0.21 0.00 0.01 0.00 0.00 42.46 37.44 2d1p s ILE 73 CO 0.29 -1.37 0.64 -0.62 0.00 0.00 0.00 174.94 173.87 2d1p n GLU 74 N 5.49 0.64 -2.31 2.79 1.02 -1.26 -4.58 120.64 122.42 2d1p n GLU 74 Ca 0.23 -0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 2d1p n GLU 74 Cb 0.47 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2d1p n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2d1p s GLN 75 N -3.32 3.21 -0.08 3.49 -1.52 -1.26 -4.91 119.66 115.27 2d1p s GLN 75 Ca -0.05 -1.57 0.04 0.00 -1.95 0.00 0.00 55.36 51.83 2d1p s GLN 75 Cb 0.11 -5.39 0.00 0.00 -0.22 0.00 0.00 33.01 27.52 2d1p s GLN 75 CO 0.86 -3.16 -0.22 0.00 -0.25 0.00 0.00 175.29 172.52 2d1p s TRP 77 N 0.30 1.10 -0.02 0.00 0.52 0.23 -2.18 118.94 118.90 2d1p s TRP 77 Ca -0.15 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.47 2d1p s TRP 77 Cb -0.17 -0.62 -0.00 0.00 -1.15 0.00 0.00 33.47 31.54 2d1p s TRP 77 CO 0.07 0.03 -0.09 0.54 0.02 0.00 0.00 176.95 177.51 2d1p s VAL 78 N -1.68 0.78 -0.45 4.03 0.11 -1.05 -0.58 120.40 121.56 2d1p s VAL 78 Ca -0.00 -0.39 -0.28 0.00 -2.93 0.00 0.00 61.98 58.37 2d1p s VAL 78 Cb -0.08 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2d1p s VAL 78 CO 0.01 0.23 1.53 0.00 -3.33 0.00 0.00 175.10 173.55 2d1p h ALA 80 N 11.60 1.28 -0.53 0.00 0.00 -1.66 -2.32 119.26 127.64 2d1p h ALA 80 Ca -0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2d1p h ALA 80 Cb 1.12 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2d1p h ALA 80 CO 1.11 0.61 0.31 0.00 0.00 0.00 0.00 179.25 181.28 2d1p h ALA 81 N 1.37 0.67 -0.41 0.00 0.00 -1.91 -2.30 119.26 116.68 2d1p h ALA 81 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2d1p h ALA 81 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2d1p h ALA 81 CO -0.06 0.17 0.27 1.03 0.00 0.00 0.00 179.25 180.66 2d1p h SER 82 N 0.70 0.48 -0.88 0.00 0.87 -1.80 -1.90 113.55 111.03 2d1p h SER 82 Ca 0.19 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 2d1p h SER 82 Cb 0.01 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.79 2d1p h SER 82 CO -0.03 0.37 0.57 -0.07 -0.53 0.00 0.00 176.83 177.14 2d1p h LEU 83 N 0.56 0.87 -0.23 2.23 3.38 -1.20 -1.94 115.31 118.98 2d1p h LEU 83 Ca 0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2d1p h LEU 83 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2d1p h LEU 83 CO -0.03 0.56 -0.03 0.03 0.09 0.00 0.00 178.44 179.06 2d1p h ARG 84 N 0.99 0.43 -0.36 1.13 3.08 -0.89 -0.56 114.38 118.19 2d1p h ARG 84 Ca 0.38 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2d1p h ARG 84 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2d1p h ARG 84 CO -0.14 0.64 0.25 0.93 -1.07 0.00 0.00 179.97 180.58 2d1p h GLU 85 N 0.18 0.22 -0.24 0.04 5.08 -0.84 -1.46 114.58 117.56 2d1p h GLU 85 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2d1p h GLU 85 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2d1p h GLU 85 CO 0.02 0.14 0.00 0.54 -1.00 0.00 0.00 179.01 178.71 2d1p n ARG 86 N -4.47 1.93 -2.33 2.33 1.74 -0.78 -4.94 116.66 110.14 2d1p n ARG 86 Ca 0.05 -1.40 -0.16 0.00 -0.77 0.00 0.00 57.85 55.56 2d1p n ARG 86 Cb 0.27 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.22 -0.30 3.74 -0.13 0.00 -0.55 -4.99 105.19 104.18 2d1p n GLY 87 Ca 0.16 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.69 4.25 -0.08 0.99 1.43 -0.26 -5.04 118.68 115.27 2d1p s LEU 88 Ca 0.01 0.39 -0.32 0.00 -1.03 0.00 0.00 54.13 53.18 2d1p s LEU 88 Cb -0.00 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 2d1p s LEU 88 CO 0.01 0.17 1.98 -0.67 0.23 0.00 0.00 176.35 178.07 2d1p n ASP 89 N 3.38 3.57 0.18 2.29 -0.08 -1.26 -4.55 116.55 120.08 2d1p n ASP 89 Ca -0.14 0.81 0.13 0.00 -1.51 0.00 0.00 54.79 54.08 2d1p n ASP 89 Cb 0.52 -1.44 0.63 0.00 2.34 0.00 0.00 41.12 43.17 2d1p n ASP 89 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2d1p h PRO 90 N 10.63 0.00 -0.32 -0.67 0.13 -1.96 -1.18 132.00 138.62 2d1p h PRO 90 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2d1p h PRO 90 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2d1p h PRO 90 CO 0.95 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.66 2d1p n GLN 91 N -2.42 2.14 -1.75 0.86 -0.06 -1.26 -4.95 117.38 109.94 2d1p n GLN 91 Ca 0.00 -1.72 -0.42 0.00 -2.00 0.00 0.00 57.00 52.86 2d1p n GLN 91 Cb 0.14 -1.44 -0.02 0.00 -4.06 0.00 0.00 30.24 24.86 2d1p n GLN 91 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2d1p n THR 92 N 0.93 0.88 -2.40 1.69 -1.04 -0.45 -4.87 114.28 109.03 2d1p n THR 92 Ca 0.18 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.59 2d1p n THR 92 Cb 0.46 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 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 -0.28 3.37 0.91 -2.82 0.04 -1.26 -4.97 135.00 129.99 2d1p s PRO 93 Ca 0.65 -1.25 -0.11 0.00 0.04 0.00 0.00 61.00 60.33 2d1p s PRO 93 Cb -0.49 -5.35 0.13 0.00 0.04 0.00 0.00 34.50 28.84 2d1p s PRO 93 CO 0.46 -2.69 1.09 1.19 0.04 0.00 0.00 177.00 177.09 2d1p n PHE 94 N 10.44 0.69 1.55 0.56 3.72 -1.26 -4.49 117.46 128.67 2d1p n PHE 94 Ca 0.41 0.39 0.15 0.00 -0.05 0.00 0.00 57.45 58.35 2d1p n PHE 94 Cb 0.48 -1.99 0.79 0.00 -0.94 0.00 0.00 39.48 37.82 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 -4.12 0.00 -4.43 -4.37 0.24 -0.36 -4.69 118.33 100.60 2d1p n VAL 95 Ca 0.12 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.34 62.21 2d1p n VAL 95 Cb 0.52 -0.45 -0.15 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.43 0.84 -1.20 3.34 1.01 -1.26 -4.51 120.40 116.18 2d1p s VAL 96 Ca 0.33 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2d1p s VAL 96 Cb 0.21 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2d1p s VAL 96 CO 0.44 0.19 2.15 -0.62 0.00 0.00 0.00 175.10 177.27 2d1p n GLU 97 N 2.69 2.38 -3.59 2.72 -0.58 -1.26 -4.91 120.64 118.10 2d1p n GLU 97 Ca -0.14 -2.28 -0.36 0.00 -0.42 0.00 0.00 57.16 53.96 2d1p n GLU 97 Cb 0.56 -3.11 -0.07 0.00 -0.57 0.00 0.00 31.44 28.25 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 3.80 3.62 -0.10 0.62 0.00 -1.26 -4.62 121.76 123.81 2d1p s ALA 98 Ca 0.51 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 2d1p s ALA 98 Cb 0.14 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 2d1p s ALA 98 CO -0.01 0.09 0.41 0.95 0.00 0.00 0.00 175.76 177.19 2d1p s THR 99 N 0.49 5.18 0.43 0.00 -4.23 -0.93 -4.72 115.64 111.87 2d1p s THR 99 Ca 0.14 0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 61.21 2d1p s THR 99 Cb -0.12 -3.74 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 2d1p s THR 99 CO 0.02 0.40 1.27 -2.16 -0.54 0.00 0.00 174.62 173.62 2d1p s PRO 100 N 0.18 3.83 0.00 3.99 0.04 -1.26 -2.54 135.00 139.23 2d1p s PRO 100 Ca 0.23 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2d1p s PRO 100 Cb -0.15 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2d1p s PRO 100 CO 0.09 -0.58 -0.06 -0.51 0.04 0.00 0.00 177.00 175.98 2d1p s LEU 101 N -2.69 2.05 0.71 -3.56 1.43 -0.53 -4.89 118.68 111.20 2d1p s LEU 101 Ca 0.60 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2d1p s LEU 101 Cb -0.36 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2d1p s LEU 101 CO 0.45 0.03 1.08 -1.61 0.23 0.00 0.00 176.35 176.53 2d1p s GLU 102 N -0.38 2.82 0.16 1.70 0.41 -1.26 -1.62 118.70 120.52 2d1p s GLU 102 Ca 0.00 0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 54.89 2d1p s GLU 102 Cb -0.04 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.26 2d1p s GLU 102 CO -0.00 -1.10 1.53 0.00 -0.49 0.00 0.00 175.26 175.20 2d1p n ALA 103 N -3.08 -0.61 -0.09 5.21 0.00 -1.26 -1.31 120.51 119.36 2d1p n ALA 103 Ca 0.07 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.30 2d1p n ALA 103 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 2d1p n ALA 103 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2d1p h ASP 104 N 0.00 -0.34 -0.05 0.00 3.04 -1.99 -0.76 116.42 116.32 2d1p h ASP 104 Ca 0.17 0.10 -0.00 0.00 -3.24 0.00 0.00 57.03 54.06 2d1p h ASP 104 Cb 0.42 0.22 -0.00 0.00 -1.04 0.00 0.00 39.33 38.92 2d1p h ASP 104 CO -0.94 -0.12 0.02 0.00 -2.04 0.00 0.00 179.24 176.16 2d1p h ALA 105 N 1.29 0.06 -0.73 4.15 0.00 -1.76 -1.76 119.26 120.52 2d1p h ALA 105 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2d1p h ALA 105 Cb 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2d1p h ALA 105 CO -0.35 -0.35 0.43 1.25 0.00 0.00 0.00 179.25 180.23 2d1p h LEU 106 N -0.09 0.65 -0.25 0.00 6.46 -1.03 -0.84 115.31 120.21 2d1p h LEU 106 Ca 0.02 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2d1p h LEU 106 Cb 0.18 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2d1p h LEU 106 CO -0.00 0.42 0.10 -0.09 -0.62 0.00 0.00 178.44 178.24 2d1p h ARG 107 N 0.79 0.21 -0.76 1.25 2.43 -0.95 -1.28 114.38 116.07 2d1p h ARG 107 Ca 0.32 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2d1p h ARG 107 Cb 0.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2d1p h ARG 107 CO -0.18 0.14 0.31 0.00 -1.51 0.00 0.00 179.97 178.73 2d1p h ARG 108 N 0.22 1.13 -0.37 0.20 3.08 -0.74 -2.47 114.38 115.43 2d1p h ARG 108 Ca 0.11 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2d1p h ARG 108 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2d1p h ARG 108 CO -0.10 0.92 0.15 1.49 -1.07 0.00 0.00 179.97 181.36 2d1p h GLU 109 N 1.09 0.56 -0.11 0.04 4.57 -0.84 -2.81 114.58 117.08 2d1p h GLU 109 Ca 0.25 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2d1p h GLU 109 Cb 0.21 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2d1p h GLU 109 CO -0.02 0.53 -0.10 1.25 -1.18 0.00 0.00 179.01 179.50 2d1p h LEU 110 N 0.46 0.16 0.00 1.64 5.85 -1.09 -2.04 115.31 120.28 2d1p h LEU 110 Ca 0.12 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2d1p h LEU 110 Cb 0.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2d1p h LEU 110 CO -0.01 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 2d1p n ALA 111 N -2.50 1.67 1.06 1.25 0.00 -0.94 -2.19 120.51 118.85 2d1p n ALA 111 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.51 2d1p n ALA 111 Cb 0.22 -1.21 0.51 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.40 0.21 -4.88 0.00 5.03 -0.77 -4.88 115.26 108.56 2d1p n ASN 112 Ca 0.04 0.12 -0.34 0.00 0.87 0.00 0.00 54.58 55.28 2d1p n ASN 112 Cb 0.13 -0.21 -0.05 0.00 -1.02 0.00 0.00 39.78 38.63 2d1p n ASN 112 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2d1p s TYR 113 N -2.93 3.57 0.09 3.10 1.51 -0.93 -4.89 117.35 116.87 2d1p s TYR 113 Ca 0.15 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 56.83 2d1p s TYR 113 Cb 0.19 -2.00 -0.24 0.00 -0.11 0.00 0.00 41.96 39.80 2d1p s TYR 113 CO 0.58 0.59 1.16 -0.44 -1.11 0.00 0.00 175.55 176.32 2d1p h ASP 114 N 3.81 0.15 -3.88 2.29 3.32 -1.44 -3.46 116.42 117.22 2d1p h ASP 114 Ca -0.49 -0.17 -0.44 0.00 0.02 0.00 0.00 57.03 55.95 2d1p h ASP 114 Cb 1.19 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 2d1p h ASP 114 CO 0.67 1.13 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.84 2d1p s VAL 115 N -2.68 0.85 -0.13 -1.35 1.01 -0.96 -4.98 120.40 112.16 2d1p s VAL 115 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2d1p s VAL 115 Cb 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2d1p s VAL 115 CO 0.84 0.26 -0.15 -0.63 0.00 0.00 0.00 175.10 175.42 2d1p s ILE 116 N 0.09 1.58 -0.23 2.22 1.01 -1.26 -0.35 121.20 124.26 2d1p s ILE 116 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2d1p s ILE 116 Cb -0.08 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2d1p s ILE 116 CO 0.00 0.46 -0.09 -0.76 0.00 0.00 0.00 174.94 174.55 2d1p s LEU 117 N 1.20 2.95 -0.17 2.97 1.43 -0.27 -5.00 118.68 121.80 2d1p s LEU 117 Ca -0.01 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 2d1p s LEU 117 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2d1p s LEU 117 CO -0.06 -0.09 0.11 -0.60 0.23 0.00 0.00 176.35 175.94 2d1p s ARG 118 N 1.33 3.85 0.00 1.70 3.52 -1.26 -0.95 118.95 127.13 2d1p s ARG 118 Ca 0.01 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2d1p s ARG 118 Cb -0.16 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2d1p s ARG 118 CO -0.06 0.46 0.30 1.19 -0.81 0.00 0.00 175.30 176.38