#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d00 s VAL 2 N 0.00 0.31 0.08 1.12 -7.23 -1.26 -5.10 120.40 108.32 2d00 s VAL 2 Ca 0.00 -1.96 -0.35 0.00 -1.81 0.00 0.00 61.98 57.87 2d00 s VAL 2 Cb 0.00 -2.23 -0.14 0.00 0.56 0.00 0.00 36.38 34.57 2d00 s VAL 2 CO 0.00 -0.32 1.63 -0.81 -0.31 0.00 0.00 175.10 175.29 2d00 n PRO 3 N -0.22 2.00 -3.27 4.82 -0.04 -1.26 -4.99 135.00 132.04 2d00 n PRO 3 Ca -0.04 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 2d00 n PRO 3 Cb 0.64 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.53 2d00 n PRO 3 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2d00 s VAL 4 N 1.71 5.04 -0.11 0.52 1.01 -1.26 -4.98 120.40 122.34 2d00 s VAL 4 Ca 0.83 0.18 0.02 0.00 0.00 0.00 0.00 61.98 63.01 2d00 s VAL 4 Cb -0.73 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 2d00 s VAL 4 CO 0.43 -0.24 -0.17 -0.13 0.00 0.00 0.00 175.10 174.99 2d00 s ARG 5 N 2.31 3.15 -0.10 2.72 0.52 -1.26 -5.00 118.95 121.29 2d00 s ARG 5 Ca 0.17 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2d00 s ARG 5 Cb -0.16 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 2d00 s ARG 5 CO 0.13 0.26 -0.14 1.41 0.02 0.00 0.00 175.30 176.98 2d00 s MET 6 N 0.21 3.02 0.21 3.54 -2.45 -1.26 -0.55 119.30 122.02 2d00 s MET 6 Ca -0.11 -0.69 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2d00 s MET 6 Cb -0.16 -2.53 -0.04 0.00 1.25 0.00 0.00 34.83 33.36 2d00 s MET 6 CO 0.06 0.38 0.18 0.00 1.05 0.00 0.00 175.02 176.69 2d00 s ALA 7 N -0.10 3.59 -0.06 4.11 0.00 -0.86 -4.14 121.76 124.30 2d00 s ALA 7 Ca -0.02 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.63 2d00 s ALA 7 Cb -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2d00 s ALA 7 CO 0.04 0.36 -0.06 0.08 0.00 0.00 0.00 175.76 176.18 2d00 s VAL 8 N -1.96 0.68 -0.27 0.00 1.01 0.09 -1.15 120.40 118.81 2d00 s VAL 8 Ca 0.32 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2d00 s VAL 8 Cb -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2d00 s VAL 8 CO 0.24 0.27 0.02 -0.63 0.00 0.00 0.00 175.10 175.01 2d00 s ILE 9 N 1.11 3.62 0.34 2.22 1.01 0.90 0.22 121.20 130.63 2d00 s ILE 9 Ca -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2d00 s ILE 9 Cb -0.14 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2d00 s ILE 9 CO -0.01 0.20 0.39 0.00 0.00 0.00 0.00 174.94 175.51 2d00 n ALA 10 N 4.81 0.20 -1.17 9.38 0.00 -0.86 -0.61 120.51 132.26 2d00 n ALA 10 Ca -0.16 -1.80 -0.34 0.00 0.00 0.00 0.00 53.44 51.15 2d00 n ALA 10 Cb 0.49 1.45 0.12 0.00 0.00 0.00 0.00 19.45 21.51 2d00 n ALA 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2d00 s ASP 11 N -3.26 3.70 0.26 0.00 -4.77 -1.26 -0.86 116.67 110.47 2d00 s ASP 11 Ca 0.35 2.39 -0.02 0.00 -3.30 0.00 0.00 52.55 51.97 2d00 s ASP 11 Cb 0.01 -2.59 0.51 0.00 -1.09 0.00 0.00 42.92 39.76 2d00 s ASP 11 CO 0.25 -2.60 1.75 -0.65 0.70 0.00 0.00 175.17 174.62 2d00 h PRO 12 N -0.75 0.56 -0.23 2.11 0.11 -1.89 -0.22 132.00 131.68 2d00 h PRO 12 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2d00 h PRO 12 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2d00 h PRO 12 CO 0.47 0.37 -0.01 0.93 -0.21 0.00 0.00 178.00 179.55 2d00 h GLU 13 N 0.57 0.42 -0.42 1.05 3.07 -1.97 0.09 114.58 117.40 2d00 h GLU 13 Ca 0.45 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2d00 h GLU 13 Cb 0.65 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 2d00 h GLU 13 CO -0.37 0.61 0.21 1.15 -1.40 0.00 0.00 179.01 179.21 2d00 h THR 14 N 0.18 1.17 -0.72 1.13 2.02 -1.80 -2.27 112.91 112.63 2d00 h THR 14 Ca 0.07 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.86 2d00 h THR 14 Cb 0.43 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 2d00 h THR 14 CO 0.01 0.18 0.39 0.00 0.37 0.00 0.00 175.52 176.47 2d00 h ALA 15 N 1.06 0.99 -0.88 6.16 0.00 -0.74 -0.88 119.26 124.97 2d00 h ALA 15 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2d00 h ALA 15 Cb 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2d00 h ALA 15 CO -0.02 0.03 0.57 1.96 0.00 0.00 0.00 179.25 181.79 2d00 h GLN 16 N 0.68 0.85 -0.51 0.00 4.20 -0.67 -2.33 115.11 117.33 2d00 h GLN 16 Ca 0.34 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.87 2d00 h GLN 16 Cb 0.29 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2d00 h GLN 16 CO -0.23 0.56 -0.17 0.78 -0.67 0.00 0.00 178.83 179.10 2d00 h GLY 17 N 0.87 1.10 1.77 3.46 0.00 -0.63 -1.67 103.07 107.97 2d00 h GLY 17 Ca 0.41 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2d00 h GLY 17 CO -0.17 0.86 -0.38 0.74 0.00 0.00 0.00 176.54 177.58 2d00 h PHE 18 N 0.89 0.30 -0.25 5.60 -1.00 -0.92 -2.19 116.94 119.38 2d00 h PHE 18 Ca 0.12 -0.08 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 2d00 h PHE 18 Cb 0.75 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2d00 h PHE 18 CO 0.05 0.61 -0.58 0.00 -1.61 0.00 0.00 178.31 176.78 2d00 h ARG 19 N 0.22 0.79 -0.77 1.51 3.08 -0.88 -0.76 114.38 117.56 2d00 h ARG 19 Ca 0.02 -0.52 0.09 0.00 0.07 0.00 0.00 59.98 59.64 2d00 h ARG 19 Cb 0.78 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.83 2d00 h ARG 19 CO 0.06 1.15 0.43 -0.07 -1.07 0.00 0.00 179.97 180.47 2d00 h LEU 20 N 0.60 0.61 0.00 3.04 3.38 -1.23 -2.65 115.31 119.06 2d00 h LEU 20 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2d00 h LEU 20 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2d00 h LEU 20 CO 0.12 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2d00 n ALA 21 N -2.38 2.35 -0.70 1.53 0.00 -0.83 -4.89 120.51 115.59 2d00 n ALA 21 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2d00 n ALA 21 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2d00 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d00 n GLY 22 N 0.36 0.75 3.84 0.00 0.00 -1.00 -5.04 105.19 104.09 2d00 n GLY 22 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2d00 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d00 s LEU 23 N 0.00 3.72 -1.04 0.99 1.43 -0.31 -5.01 118.68 118.45 2d00 s LEU 23 Ca 0.00 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 2d00 s LEU 23 Cb 0.00 -2.29 0.16 0.00 0.03 0.00 0.00 46.19 44.09 2d00 s LEU 23 CO 0.00 -0.18 1.22 -1.61 0.23 0.00 0.00 176.35 176.01 2d00 s GLU 24 N -3.91 3.82 -0.01 1.70 2.02 -1.26 -3.60 118.70 117.46 2d00 s GLU 24 Ca 0.37 -2.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.04 2d00 s GLU 24 Cb -0.07 -4.92 -0.05 0.00 0.10 0.00 0.00 34.13 29.19 2d00 s GLU 24 CO 0.26 -1.71 0.34 0.20 0.02 0.00 0.00 175.26 174.37 2d00 s GLY 25 N 3.11 2.37 -0.04 -1.39 0.00 -1.26 -0.73 107.32 109.39 2d00 s GLY 25 Ca 0.35 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.76 2d00 s GLY 25 CO -0.06 -0.06 -0.19 -0.19 0.00 0.00 0.00 173.10 172.61 2d00 s TYR 26 N -1.15 1.83 0.03 1.90 2.02 0.13 -4.84 117.35 117.28 2d00 s TYR 26 Ca 0.24 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2d00 s TYR 26 Cb -0.15 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2d00 s TYR 26 CO 0.13 -0.15 0.31 0.20 -1.57 0.00 0.00 175.55 174.47 2d00 s GLY 27 N -0.08 2.28 0.00 0.71 0.00 -1.26 -2.03 107.32 106.95 2d00 s GLY 27 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.20 2d00 s GLY 27 CO 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 173.10 172.79 2d00 s ALA 28 N -1.33 0.15 -0.49 3.20 0.00 -0.04 -4.85 121.76 118.41 2d00 s ALA 28 Ca 0.29 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2d00 s ALA 28 Cb -0.13 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.06 2d00 s ALA 28 CO 0.17 0.02 0.94 0.43 0.00 0.00 0.00 175.76 177.32 2d00 n SER 29 N 2.89 2.03 -3.65 0.00 7.64 -1.26 -4.07 113.62 117.19 2d00 n SER 29 Ca -0.13 -1.70 -0.10 0.00 1.01 0.00 0.00 58.87 57.94 2d00 n SER 29 Cb 0.59 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 2d00 n SER 29 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d00 s SER 30 N -0.78 -0.22 0.31 6.43 1.04 -1.26 -5.05 113.70 114.18 2d00 s SER 30 Ca 0.09 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.21 2d00 s SER 30 Cb 0.05 0.47 0.67 0.00 0.10 0.00 0.00 66.02 67.32 2d00 s SER 30 CO 0.07 -0.86 1.85 0.00 0.98 0.00 0.00 173.24 175.27 2d00 h ALA 31 N 2.37 1.66 -0.02 5.32 0.00 -1.90 -1.77 119.26 124.92 2d00 h ALA 31 Ca -0.34 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2d00 h ALA 31 Cb 1.25 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2d00 h ALA 31 CO 0.47 0.09 -0.30 0.93 0.00 0.00 0.00 179.25 180.44 2d00 h GLU 32 N 0.86 0.24 -0.79 0.00 4.39 -1.97 -0.30 114.58 117.02 2d00 h GLU 32 Ca 0.48 -0.23 0.19 0.00 0.34 0.00 0.00 59.36 60.13 2d00 h GLU 32 Cb 0.60 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 29.18 2d00 h GLU 32 CO -0.24 0.92 0.16 1.49 -1.16 0.00 0.00 179.01 180.18 2d00 h GLU 33 N -0.35 0.20 -0.83 2.33 4.81 -1.94 0.58 114.58 119.39 2d00 h GLU 33 Ca -0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2d00 h GLU 33 Cb 1.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2d00 h GLU 33 CO 0.06 0.13 0.55 0.00 -0.73 0.00 0.00 179.01 179.02 2d00 h ALA 34 N 1.69 1.46 -0.12 2.92 0.00 -1.20 0.22 119.26 124.24 2d00 h ALA 34 Ca 0.46 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 2d00 h ALA 34 Cb 0.85 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d00 h ALA 34 CO -0.60 0.48 -0.69 0.37 0.00 0.00 0.00 179.25 178.81 2d00 h GLN 35 N 1.07 0.52 -0.35 0.00 5.75 0.33 0.17 115.11 122.58 2d00 h GLN 35 Ca 0.32 -0.39 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2d00 h GLN 35 Cb -0.03 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2d00 h GLN 35 CO -0.09 1.02 0.07 1.03 -2.65 0.00 0.00 178.83 178.21 2d00 h SER 36 N 0.37 0.55 -0.99 -0.69 0.87 -0.70 -0.69 113.55 112.27 2d00 h SER 36 Ca -0.02 -0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2d00 h SER 36 Cb 1.26 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 63.01 2d00 h SER 36 CO 0.13 0.66 0.63 -0.07 -0.53 0.00 0.00 176.83 177.65 2d00 h LEU 37 N 0.42 1.01 -0.27 2.23 3.38 -0.20 -1.48 115.31 120.40 2d00 h LEU 37 Ca 0.11 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2d00 h LEU 37 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2d00 h LEU 37 CO 0.01 0.64 0.17 -0.07 0.09 0.00 0.00 178.44 179.27 2d00 h LEU 38 N 1.14 0.28 -0.41 1.67 3.38 0.07 -0.18 115.31 121.27 2d00 h LEU 38 Ca 0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 2d00 h LEU 38 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2d00 h LEU 38 CO -0.18 0.21 0.22 -0.08 0.09 0.00 0.00 178.44 178.69 2d00 h GLU 39 N 0.35 0.58 -0.93 1.13 4.57 -0.99 -0.76 114.58 118.53 2d00 h GLU 39 Ca 0.10 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2d00 h GLU 39 Cb -0.03 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 2d00 h GLU 39 CO -0.03 0.48 0.60 1.15 -1.18 0.00 0.00 179.01 180.03 2d00 h THR 40 N 0.53 1.15 -0.75 0.32 2.02 -0.64 0.06 112.91 115.59 2d00 h THR 40 Ca 0.14 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2d00 h THR 40 Cb 0.08 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 2d00 h THR 40 CO -0.02 0.21 0.35 -0.07 0.37 0.00 0.00 175.52 176.36 2d00 h LEU 41 N 1.16 1.00 -0.31 2.58 3.38 -0.85 0.06 115.31 122.33 2d00 h LEU 41 Ca 0.37 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2d00 h LEU 41 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2d00 h LEU 41 CO -0.13 0.86 -0.22 0.58 0.09 0.00 0.00 178.44 179.63 2d00 h VAL 42 N 1.06 1.30 -0.01 1.22 2.07 -0.92 -2.08 116.25 118.89 2d00 h VAL 42 Ca 0.26 -1.36 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 2d00 h VAL 42 Cb 0.14 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2d00 h VAL 42 CO -0.03 0.44 -0.62 -0.08 0.02 0.00 0.00 177.57 177.29 2d00 h GLU 43 N 0.45 0.05 -0.49 1.57 4.57 -0.69 -2.16 114.58 117.88 2d00 h GLU 43 Ca 0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2d00 h GLU 43 Cb 0.77 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2d00 h GLU 43 CO 0.06 0.66 0.33 0.00 -1.18 0.00 0.00 179.01 178.87 2d00 h ARG 44 N 0.04 0.65 0.00 1.92 3.08 -0.92 -3.48 114.38 115.66 2d00 h ARG 44 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2d00 h ARG 44 Cb 1.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2d00 h ARG 44 CO 0.08 0.43 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 2d00 n GLY 45 N -1.23 2.41 1.09 0.04 0.00 -0.79 -5.01 105.19 101.70 2d00 n GLY 45 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2d00 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d00 n GLY 46 N -1.62 1.72 3.57 -0.02 0.00 -1.26 -4.95 105.19 102.63 2d00 n GLY 46 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2d00 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d00 s TYR 47 N -1.67 3.20 0.02 1.61 2.02 -1.26 -4.23 117.35 117.03 2d00 s TYR 47 Ca 0.33 -0.01 0.23 0.00 -0.37 0.00 0.00 57.07 57.25 2d00 s TYR 47 Cb 0.21 -2.30 0.73 0.00 -0.40 0.00 0.00 41.96 40.20 2d00 s TYR 47 CO 0.17 -0.15 1.74 0.00 -1.57 0.00 0.00 175.55 175.74 2d00 h ALA 48 N 8.06 0.95 -2.46 3.71 0.00 -1.19 -3.47 119.26 124.86 2d00 h ALA 48 Ca -0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 2d00 h ALA 48 Cb 1.18 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.70 2d00 h ALA 48 CO 0.59 0.30 -0.11 -1.17 0.00 0.00 0.00 179.25 178.86 2d00 s LEU 49 N -6.62 -0.03 -0.20 0.00 2.96 -1.22 -5.05 118.68 108.51 2d00 s LEU 49 Ca 0.02 1.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.99 2d00 s LEU 49 Cb 0.09 1.80 0.05 0.00 0.50 0.00 0.00 46.19 48.63 2d00 s LEU 49 CO 0.65 -0.18 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.76 2d00 s VAL 50 N 0.36 1.23 -0.03 1.68 1.01 -1.26 -2.02 120.40 121.37 2d00 s VAL 50 Ca -0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2d00 s VAL 50 Cb -0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2d00 s VAL 50 CO -0.00 0.01 0.64 0.00 0.00 0.00 0.00 175.10 175.74 2d00 s ALA 51 N 1.56 3.42 -0.04 5.51 0.00 -0.30 -4.99 121.76 126.92 2d00 s ALA 51 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2d00 s ALA 51 Cb -0.17 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2d00 s ALA 51 CO -0.07 0.05 -0.14 0.08 0.00 0.00 0.00 175.76 175.68 2d00 s VAL 52 N 0.21 1.21 0.15 0.00 1.01 -1.26 -0.07 120.40 121.66 2d00 s VAL 52 Ca 0.34 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2d00 s VAL 52 Cb -0.18 -1.06 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 2d00 s VAL 52 CO 0.18 0.36 1.80 -0.62 0.00 0.00 0.00 175.10 176.82 2d00 s ASP 53 N 0.23 6.41 0.54 3.32 -1.08 0.22 -4.83 116.67 121.47 2d00 s ASP 53 Ca -0.06 2.80 0.28 0.00 -0.52 0.00 0.00 52.55 55.05 2d00 s ASP 53 Cb -0.12 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.21 2d00 s ASP 53 CO 0.02 -1.00 1.95 -0.33 0.52 0.00 0.00 175.17 176.33 2d00 h GLU 54 N 8.01 0.00 0.00 4.34 5.08 -1.91 0.13 114.58 130.23 2d00 h GLU 54 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2d00 h GLU 54 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2d00 h GLU 54 CO 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.96 2d00 n ALA 55 N -2.64 1.68 -0.16 3.43 0.00 -1.26 -2.02 120.51 119.54 2d00 n ALA 55 Ca 0.13 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2d00 n ALA 55 Cb 0.75 -1.22 0.24 0.00 0.00 0.00 0.00 19.45 19.22 2d00 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d00 n LEU 56 N -1.44 3.49 -3.34 0.00 4.77 0.45 -4.80 117.00 116.13 2d00 n LEU 56 Ca 0.04 -1.87 -0.24 0.00 -0.03 0.00 0.00 56.01 53.92 2d00 n LEU 56 Cb 0.15 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 2d00 n LEU 56 CO 0.12 0.84 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.55 2d00 s LEU 57 N -1.08 0.81 0.50 2.23 2.96 -0.86 -4.38 118.68 118.86 2d00 s LEU 57 Ca 0.38 -2.53 0.16 0.00 -0.22 0.00 0.00 54.13 51.92 2d00 s LEU 57 Cb 0.20 -0.05 1.19 0.00 0.50 0.00 0.00 46.19 48.03 2d00 s LEU 57 CO 0.27 -0.20 2.10 -0.65 -1.32 0.00 0.00 176.35 176.55 2d00 h PRO 58 N 6.08 0.00 -0.79 0.98 0.11 -1.87 -3.41 132.00 133.10 2d00 h PRO 58 Ca 0.17 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.34 2d00 h PRO 58 Cb 0.96 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.87 2d00 h PRO 58 CO 0.29 0.06 -0.30 0.34 -0.21 0.00 0.00 178.00 178.18 2d00 s ASP 59 N -7.03 -1.28 0.55 -2.05 2.15 -1.26 -5.04 116.67 102.71 2d00 s ASP 59 Ca -0.05 -0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.20 2d00 s ASP 59 Cb 0.17 1.76 1.59 0.00 -0.30 0.00 0.00 42.92 46.14 2d00 s ASP 59 CO 0.68 -0.21 2.13 -0.65 -0.17 0.00 0.00 175.17 176.94 2d00 h PRO 60 N 7.52 0.00 -0.33 4.34 0.11 -1.99 -1.26 132.00 140.38 2d00 h PRO 60 Ca -0.02 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 2d00 h PRO 60 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2d00 h PRO 60 CO 0.08 0.08 -0.13 1.49 -0.21 0.00 0.00 178.00 179.31 2d00 h GLU 61 N 0.00 0.68 -0.44 1.05 4.81 -1.99 -2.68 114.58 116.02 2d00 h GLU 61 Ca -0.00 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 2d00 h GLU 61 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2d00 h GLU 61 CO 0.01 0.87 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.89 2d00 h ARG 62 N 0.45 0.85 -0.60 1.92 2.43 -1.72 -2.19 114.38 115.53 2d00 h ARG 62 Ca 0.08 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2d00 h ARG 62 Cb 0.65 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2d00 h ARG 62 CO 0.04 0.97 0.20 0.00 -1.51 0.00 0.00 179.97 179.67 2d00 h ALA 63 N 1.04 1.24 -0.38 2.80 0.00 -1.21 -1.63 119.26 121.11 2d00 h ALA 63 Ca 0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2d00 h ALA 63 Cb 0.71 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2d00 h ALA 63 CO 0.05 0.55 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 2d00 h VAL 64 N 0.87 1.28 -0.07 0.00 2.07 -1.36 -2.43 116.25 116.60 2d00 h VAL 64 Ca 0.20 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2d00 h VAL 64 Cb 0.22 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2d00 h VAL 64 CO -0.01 0.40 0.03 -0.08 0.02 0.00 0.00 177.57 177.93 2d00 h GLU 65 N 0.56 0.10 -0.76 1.57 4.81 -0.95 0.36 114.58 120.27 2d00 h GLU 65 Ca 0.09 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 2d00 h GLU 65 Cb 0.64 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 2d00 h GLU 65 CO 0.04 0.22 0.10 0.00 -0.73 0.00 0.00 179.01 178.64 2d00 h ARG 66 N -0.04 0.17 -0.73 1.92 3.08 -1.39 -0.66 114.38 116.74 2d00 h ARG 66 Ca 0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2d00 h ARG 66 Cb 0.15 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2d00 h ARG 66 CO -0.00 0.11 0.43 -0.07 -1.07 0.00 0.00 179.97 179.37 2d00 h LEU 67 N 0.17 0.66 -1.29 3.04 3.38 -0.92 -0.90 115.31 119.45 2d00 h LEU 67 Ca 0.43 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 2d00 h LEU 67 Cb 0.78 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2d00 h LEU 67 CO -0.61 0.43 -0.09 0.24 0.09 0.00 0.00 178.44 178.50 2d00 h MET 68 N 0.79 0.37 -0.04 1.13 2.86 -0.77 -1.90 114.93 117.37 2d00 h MET 68 Ca 0.32 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2d00 h MET 68 Cb 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2d00 h MET 68 CO -0.17 0.47 0.00 0.54 1.06 0.00 0.00 176.91 178.81 2d00 n ARG 69 N -4.26 1.41 -0.25 1.72 1.74 -0.27 -4.46 116.66 112.28 2d00 n ARG 69 Ca 0.00 -0.60 0.12 0.00 -0.77 0.00 0.00 57.85 56.60 2d00 n ARG 69 Cb 0.27 -1.44 0.26 0.00 -1.02 0.00 0.00 32.46 30.54 2d00 n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d00 n GLY 70 N 1.06 1.89 0.26 -0.13 0.00 -0.36 -4.08 105.19 103.82 2d00 n GLY 70 Ca 0.19 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.62 2d00 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2d00 h ARG 71 N 4.23 0.00 -2.53 1.61 3.08 -1.78 -3.49 114.38 115.49 2d00 h ARG 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2d00 h ARG 71 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2d00 h ARG 71 CO 0.00 0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.75 2d00 n ASP 72 N -3.31 -1.69 -4.67 7.04 9.92 -1.26 -4.93 116.55 117.66 2d00 n ASP 72 Ca -0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.83 2d00 n ASP 72 Cb 0.31 -0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 39.92 2d00 n ASP 72 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2d00 s LEU 73 N -0.24 4.27 -0.60 0.64 1.02 -1.26 -5.02 118.68 117.49 2d00 s LEU 73 Ca 0.00 2.00 -0.27 0.00 0.02 0.00 0.00 54.13 55.88 2d00 s LEU 73 Cb 0.00 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.66 2d00 s LEU 73 CO 0.00 -0.81 1.73 -2.16 0.02 0.00 0.00 176.35 175.13 2d00 s PRO 74 N 3.44 2.83 0.27 1.29 0.04 -1.26 -4.99 135.00 136.62 2d00 s PRO 74 Ca 0.64 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 2d00 s PRO 74 Cb -0.28 -4.32 -0.16 0.00 0.04 0.00 0.00 34.50 29.78 2d00 s PRO 74 CO 0.23 -2.50 0.42 0.28 0.04 0.00 0.00 177.00 175.47 2d00 n VAL 75 N 7.08 1.62 -4.13 -0.36 0.31 -1.26 -4.99 118.33 116.59 2d00 n VAL 75 Ca 0.17 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 2d00 n VAL 75 Cb 0.51 -0.06 -0.17 0.00 -0.91 0.00 0.00 33.84 33.21 2d00 n VAL 75 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2d00 s LEU 76 N 3.22 1.24 -0.28 7.52 1.43 -1.26 -5.09 118.68 125.45 2d00 s LEU 76 Ca 0.62 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2d00 s LEU 76 Cb -0.83 -0.55 0.10 0.00 0.03 0.00 0.00 46.19 44.94 2d00 s LEU 76 CO 0.58 -0.07 0.13 -0.22 0.23 0.00 0.00 176.35 177.00 2d00 s LEU 77 N 1.14 0.62 0.30 1.79 2.96 -1.26 -5.11 118.68 119.12 2d00 s LEU 77 Ca -0.07 -1.27 -0.29 0.00 -0.22 0.00 0.00 54.13 52.28 2d00 s LEU 77 Cb -0.14 -0.37 -0.10 0.00 0.50 0.00 0.00 46.19 46.08 2d00 s LEU 77 CO -0.01 -0.43 1.12 -2.16 -1.32 0.00 0.00 176.35 173.54 2d00 s PRO 78 N 2.08 4.55 -0.04 0.98 0.04 -1.26 -5.05 135.00 136.30 2d00 s PRO 78 Ca 0.09 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2d00 s PRO 78 Cb -0.16 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.30 2d00 s PRO 78 CO -0.35 0.13 -0.02 0.42 0.04 0.00 0.00 177.00 177.22 2d00 s ILE 79 N -1.21 0.38 0.02 0.56 -1.09 -1.26 -5.10 121.20 113.50 2d00 s ILE 79 Ca 0.46 -0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.77 2d00 s ILE 79 Cb -0.32 -0.45 -0.05 0.00 -1.58 0.00 0.00 42.46 40.06 2d00 s ILE 79 CO 0.41 0.20 1.17 0.00 -1.23 0.00 0.00 174.94 175.49 2d00 h ALA 80 N 7.41 -0.90 -2.20 9.38 0.00 -2.06 -3.37 119.26 127.52 2d00 h ALA 80 Ca -0.36 -0.06 -0.60 0.00 0.00 0.00 0.00 54.91 53.89 2d00 h ALA 80 Cb 1.14 0.37 -0.42 0.00 0.00 0.00 0.00 17.79 18.89 2d00 h ALA 80 CO 0.43 -0.90 -0.57 0.41 0.00 0.00 0.00 179.25 178.62 2d00 n GLY 81 N -1.17 5.02 0.40 0.00 0.00 -1.26 -4.92 105.19 103.26 2d00 n GLY 81 Ca -0.04 -2.78 0.26 0.00 0.00 0.00 0.00 46.02 43.47 2d00 n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d00 h LEU 82 N 3.93 0.43 -0.87 0.99 3.38 -2.03 -2.76 115.31 118.38 2d00 h LEU 82 Ca 0.19 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.49 2d00 h LEU 82 Cb 0.62 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 2d00 h LEU 82 CO 0.85 -0.04 -0.10 0.29 0.09 0.00 0.00 178.44 179.53 2d00 n LYS 83 N -4.78 -0.07 0.00 1.13 5.02 -1.26 -1.75 118.16 116.44 2d00 n LYS 83 Ca 0.30 1.33 0.04 0.00 -2.02 0.00 0.00 58.31 57.96 2d00 n LYS 83 Cb 1.04 -2.05 0.22 0.00 -0.02 0.00 0.00 35.03 34.22 2d00 n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2d00 n GLU 84 N -5.34 0.95 0.00 1.97 1.02 -1.04 -2.58 120.64 115.63 2d00 n GLU 84 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2d00 n GLU 84 Cb 0.55 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2d00 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d00 n ALA 85 N -0.62 1.75 -2.43 0.62 0.00 -0.72 -2.64 120.51 116.46 2d00 n ALA 85 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2d00 n ALA 85 Cb 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.51 2d00 n ALA 85 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2d00 n PHE 86 N -0.35 2.10 -0.06 0.00 0.99 -1.06 -4.41 117.46 114.66 2d00 n PHE 86 Ca 0.00 -2.31 -0.22 0.00 -0.00 0.00 0.00 57.45 54.92 2d00 n PHE 86 Cb 0.01 -0.28 -0.13 0.00 -1.00 0.00 0.00 39.48 38.09 2d00 n PHE 86 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2d00 h GLN 87 N 2.45 0.11 -5.91 -1.08 4.20 -1.78 -3.48 115.11 109.62 2d00 h GLN 87 Ca 0.13 -0.19 -0.56 0.00 0.06 0.00 0.00 58.65 58.08 2d00 h GLN 87 Cb 1.35 0.07 -0.27 0.00 0.30 0.00 0.00 27.48 28.93 2d00 h GLN 87 CO 0.52 1.09 -0.84 0.20 -0.67 0.00 0.00 178.83 179.14 2d00 s GLY 88 N -5.11 1.02 -0.71 3.46 0.00 -1.26 -5.06 107.32 99.65 2d00 s GLY 88 Ca -0.26 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 2d00 s GLY 88 CO 0.67 -0.86 3.22 1.42 0.00 0.00 0.00 173.10 177.55 2d00 n HIS 89 N 2.09 1.05 -2.93 1.90 8.25 -1.26 -4.08 115.22 120.24 2d00 n HIS 89 Ca -0.17 -2.14 -0.15 0.00 -0.26 0.00 0.00 57.72 55.00 2d00 n HIS 89 Cb 0.54 -1.95 -0.00 0.00 1.12 0.00 0.00 29.99 29.70 2d00 n HIS 89 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2d00 n ASP 90 N 3.03 1.36 -0.33 0.41 2.03 -1.26 -4.98 116.55 116.80 2d00 n ASP 90 Ca 0.57 -2.93 0.12 0.00 0.52 0.00 0.00 54.79 53.07 2d00 n ASP 90 Cb 0.58 -0.57 0.25 0.00 -0.72 0.00 0.00 41.12 40.66 2d00 n ASP 90 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2d00 h VAL 91 N 1.98 0.07 0.72 5.18 2.07 -1.77 0.15 116.25 124.65 2d00 h VAL 91 Ca 0.02 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2d00 h VAL 91 Cb 1.04 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2d00 h VAL 91 CO 0.52 0.00 -0.35 -0.08 0.02 0.00 0.00 177.57 177.69 2d00 h GLU 92 N 0.02 -0.94 -0.86 1.57 4.81 -1.93 -2.26 114.58 114.99 2d00 h GLU 92 Ca 0.56 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.95 2d00 h GLU 92 Cb 1.10 0.21 -0.12 0.00 0.63 0.00 0.00 28.75 30.57 2d00 h GLU 92 CO -0.90 -0.60 -0.52 0.78 -0.73 0.00 0.00 179.01 177.04 2d00 h GLY 93 N -1.07 -0.63 -0.23 1.92 0.00 -1.15 0.37 103.07 102.28 2d00 h GLY 93 Ca -0.10 0.70 0.21 0.00 0.00 0.00 0.00 47.33 48.15 2d00 h GLY 93 CO 0.16 -0.05 0.33 -1.82 0.00 0.00 0.00 176.54 175.17 2d00 h TYR 94 N -0.08 0.54 0.23 5.60 3.20 -1.31 -1.51 116.97 123.64 2d00 h TYR 94 Ca 0.19 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2d00 h TYR 94 Cb 0.49 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2d00 h TYR 94 CO -0.92 -0.08 -0.11 0.52 -1.64 0.00 0.00 178.16 175.93 2d00 h MET 95 N 0.35 -0.29 -0.66 1.82 2.86 0.29 0.27 114.93 119.55 2d00 h MET 95 Ca 0.54 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 58.37 2d00 h MET 95 Cb 1.02 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 2d00 h MET 95 CO -0.55 0.07 0.47 -0.09 1.06 0.00 0.00 176.91 177.87 2d00 h ARG 96 N -0.73 0.12 0.00 1.72 2.43 -0.86 0.11 114.38 117.16 2d00 h ARG 96 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2d00 h ARG 96 Cb 0.50 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2d00 h ARG 96 CO 0.05 0.08 -0.26 1.49 -1.51 0.00 0.00 179.97 179.82 2d00 h GLU 97 N 0.12 0.00 -0.78 0.20 4.57 -1.01 -2.42 114.58 115.26 2d00 h GLU 97 Ca 0.32 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.65 2d00 h GLU 97 Cb 1.10 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.54 2d00 h GLU 97 CO -0.04 0.48 -0.26 1.25 -1.18 0.00 0.00 179.01 179.26 2d00 h LEU 98 N -1.00 -0.93 -0.97 1.64 5.85 -0.36 0.23 115.31 119.77 2d00 h LEU 98 Ca -0.05 0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2d00 h LEU 98 Cb 0.60 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2d00 h LEU 98 CO -0.03 -0.28 0.63 0.58 -0.34 0.00 0.00 178.44 179.00 2d00 h VAL 99 N -0.04 1.16 -0.28 1.05 2.07 -0.89 -0.71 116.25 118.60 2d00 h VAL 99 Ca 0.35 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2d00 h VAL 99 Cb 0.58 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2d00 h VAL 99 CO -0.82 0.22 -0.13 -0.09 0.02 0.00 0.00 177.57 176.77 2d00 h ARG 100 N 1.21 0.48 0.05 1.57 2.43 -0.16 0.89 114.38 120.86 2d00 h ARG 100 Ca 0.39 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2d00 h ARG 100 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2d00 h ARG 100 CO -0.13 0.61 -0.03 0.87 -1.51 0.00 0.00 179.97 179.79 2d00 h LYS 101 N 0.45 -0.07 0.24 0.20 1.57 0.04 -2.80 116.57 116.21 2d00 h LYS 101 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2d00 h LYS 101 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2d00 h LYS 101 CO 0.03 0.27 -0.12 1.15 -0.57 0.00 0.00 179.45 180.22 2d00 h THR 102 N -0.42 0.00 -0.00 -0.16 2.02 -0.99 -3.31 112.91 110.05 2d00 h THR 102 Ca -0.01 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2d00 h THR 102 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2d00 h THR 102 CO 0.01 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.81 2d00 n ILE 103 N -3.30 0.00 -1.10 3.11 3.06 0.29 -4.86 119.36 116.56 2d00 n ILE 103 Ca -0.04 -0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.18 2d00 n ILE 103 Cb 0.13 -0.35 -0.01 0.00 0.54 0.00 0.00 39.64 39.94 2d00 n ILE 103 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2d00 n GLY 104 N 1.49 0.63 3.17 4.50 0.00 -1.06 -4.99 105.19 108.94 2d00 n GLY 104 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 2d00 n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d00 s PHE 105 N -2.05 1.48 0.69 1.61 0.40 -1.24 -5.04 117.98 113.84 2d00 s PHE 105 Ca 0.00 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2d00 s PHE 105 Cb 0.00 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.63 2d00 s PHE 105 CO 0.00 0.03 1.07 0.34 0.70 0.00 0.00 175.22 177.35 2d00 s ASP 106 N -0.84 5.52 0.01 1.36 2.15 -1.26 -3.27 116.67 120.33 2d00 s ASP 106 Ca 0.05 1.37 0.01 0.00 0.43 0.00 0.00 52.55 54.41 2d00 s ASP 106 Cb -0.07 -2.26 -0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2d00 s ASP 106 CO 0.01 -1.32 -0.03 -0.51 -0.17 0.00 0.00 175.17 173.14 2d00 s ILE 107 N -3.19 0.19 -0.45 4.11 2.07 -1.26 -4.96 121.20 117.70 2d00 s ILE 107 Ca 0.58 -0.57 -0.06 0.00 -1.41 0.00 0.00 60.65 59.19 2d00 s ILE 107 Cb -0.12 -0.25 0.12 0.00 0.13 0.00 0.00 42.46 42.33 2d00 s ILE 107 CO 0.54 -0.24 0.29 -0.54 -1.91 0.00 0.00 174.94 173.07 2d00 s LYS 108 N -0.85 2.27 0.00 3.50 1.02 -1.26 -4.97 119.74 119.45 2d00 s LYS 108 Ca -0.08 -1.82 0.15 0.00 0.02 0.00 0.00 55.97 54.24 2d00 s LYS 108 Cb -0.06 -3.77 0.12 0.00 -0.52 0.00 0.00 37.83 33.60 2d00 s LYS 108 CO -0.00 -1.14 0.98 1.28 -0.92 0.00 0.00 175.35 175.54