#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddn n LEU 4 N 0.00 1.35 0.00 -2.67 4.32 -1.26 -4.88 117.00 113.86 1ddn n LEU 4 Ca 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 1ddn n LEU 4 Cb 0.00 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1ddn n LEU 4 CO 0.00 0.25 0.00 0.52 -1.22 0.00 0.00 177.39 176.94 1ddn n VAL 5 N 0.08 0.00 -3.57 4.08 0.31 -1.26 -4.29 118.33 113.67 1ddn n VAL 5 Ca 0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.46 1ddn n VAL 5 Cb 0.30 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 1ddn n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ddn s ASP 6 N 0.00 -0.66 -0.00 4.52 -1.08 -1.26 -5.09 116.67 113.10 1ddn s ASP 6 Ca 0.00 1.13 -0.04 0.00 -0.52 0.00 0.00 52.55 53.12 1ddn s ASP 6 Cb 0.00 1.77 -0.02 0.00 -1.46 0.00 0.00 42.92 43.21 1ddn s ASP 6 CO 0.00 -0.24 0.68 0.74 0.52 0.00 0.00 175.17 176.87 1ddn h THR 7 N 6.09 0.00 -0.72 1.71 2.02 -1.99 -2.94 112.91 117.08 1ddn h THR 7 Ca -0.18 -0.07 0.14 0.00 0.77 0.00 0.00 66.41 67.07 1ddn h THR 7 Cb 1.11 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.39 1ddn h THR 7 CO 0.14 0.00 -0.20 0.41 0.37 0.00 0.00 175.52 176.24 1ddn n THR 8 N -2.60 -0.32 -0.18 3.16 -1.04 -1.26 0.12 114.28 112.16 1ddn n THR 8 Ca -0.02 1.66 -0.05 0.00 -2.04 0.00 0.00 64.05 63.60 1ddn n THR 8 Cb 0.06 -2.28 0.12 0.00 -1.82 0.00 0.00 70.33 66.40 1ddn n THR 8 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ddn h GLU 9 N 0.00 0.95 0.00 -2.82 5.08 -1.95 -0.33 114.58 115.51 1ddn h GLU 9 Ca 0.33 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ddn h GLU 9 Cb 0.51 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ddn h GLU 9 CO -0.74 0.88 0.00 0.52 -1.00 0.00 0.00 179.01 178.67 1ddn h MET 10 N 0.90 0.00 0.09 2.33 2.86 0.11 0.36 114.93 121.57 1ddn h MET 10 Ca 0.18 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.64 1ddn h MET 10 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ddn h MET 10 CO 0.01 0.00 -0.90 1.88 1.06 0.00 0.00 176.91 178.96 1ddn h TYR 11 N 0.00 0.36 0.25 -0.22 -1.99 -0.24 -2.66 116.97 112.47 1ddn h TYR 11 Ca 0.00 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 1ddn h TYR 11 Cb 0.51 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1ddn h TYR 11 CO 0.00 1.35 -0.12 -0.07 -0.00 0.00 0.00 178.16 179.32 1ddn h LEU 12 N -0.53 -0.29 -0.32 3.88 3.38 -0.80 0.40 115.31 121.04 1ddn h LEU 12 Ca -0.19 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ddn h LEU 12 Cb 1.53 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.30 1ddn h LEU 12 CO 0.06 -0.14 -0.00 -0.09 0.09 0.00 0.00 178.44 178.36 1ddn h ARG 13 N -0.42 0.09 -0.16 1.13 2.43 -0.44 -1.36 114.38 115.65 1ddn h ARG 13 Ca -0.03 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ddn h ARG 13 Cb 0.32 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1ddn h ARG 13 CO 0.06 0.06 -0.09 1.15 -1.51 0.00 0.00 179.97 179.63 1ddn h THR 14 N 0.09 0.72 -0.94 0.20 2.02 -1.24 -0.64 112.91 113.12 1ddn h THR 14 Ca 0.15 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.46 1ddn h THR 14 Cb 0.21 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 1ddn h THR 14 CO -0.26 0.00 0.57 0.40 0.37 0.00 0.00 175.52 176.60 1ddn h ILE 15 N -0.08 0.88 0.11 3.11 2.04 -0.45 0.19 117.51 123.32 1ddn h ILE 15 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1ddn h ILE 15 Cb 0.22 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1ddn h ILE 15 CO -0.21 0.16 -0.06 0.22 0.00 0.00 0.00 178.15 178.26 1ddn h TYR 16 N 0.89 -0.15 0.19 1.37 3.20 -0.14 -2.06 116.97 120.27 1ddn h TYR 16 Ca 0.48 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.34 1ddn h TYR 16 Cb 0.51 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1ddn h TYR 16 CO -0.03 -0.09 -0.14 0.93 -1.64 0.00 0.00 178.16 177.19 1ddn h GLU 17 N -0.16 -0.32 -0.97 1.82 5.08 -0.07 -0.85 114.58 119.12 1ddn h GLU 17 Ca -0.01 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.67 1ddn h GLU 17 Cb 0.12 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 1ddn h GLU 17 CO 0.02 -0.21 0.44 -0.07 -1.00 0.00 0.00 179.01 178.19 1ddn h LEU 18 N -0.33 0.30 -0.05 1.33 4.07 -0.50 0.40 115.31 120.52 1ddn h LEU 18 Ca -0.01 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1ddn h LEU 18 Cb 0.29 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1ddn h LEU 18 CO -0.00 -0.18 -0.01 -0.33 -1.08 0.00 0.00 178.44 176.84 1ddn h GLU 19 N 0.24 0.10 -0.88 1.13 5.08 -0.58 -1.65 114.58 118.03 1ddn h GLU 19 Ca 0.69 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 59.22 1ddn h GLU 19 Cb 1.55 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 1ddn h GLU 19 CO -0.65 0.42 0.59 0.93 -1.00 0.00 0.00 179.01 179.30 1ddn h GLU 20 N -0.23 0.28 -0.00 2.33 5.08 0.11 0.43 114.58 122.58 1ddn h GLU 20 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ddn h GLU 20 Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ddn h GLU 20 CO 0.00 0.18 -0.03 0.39 -1.00 0.00 0.00 179.01 178.56 1ddn n GLU 21 N -4.45 0.81 -1.00 2.33 1.02 -0.12 -4.88 120.64 114.35 1ddn n GLU 21 Ca 0.18 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1ddn n GLU 21 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1ddn n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ddn n GLY 22 N 1.17 0.37 3.87 0.62 0.00 0.15 -5.00 105.19 106.38 1ddn n GLY 22 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1ddn n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddn s VAL 23 N -1.75 4.79 -0.16 1.61 1.01 -0.65 -5.02 120.40 120.23 1ddn s VAL 23 Ca 0.00 0.64 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 1ddn s VAL 23 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1ddn s VAL 23 CO 0.00 -0.38 0.74 -0.89 0.00 0.00 0.00 175.10 174.57 1ddn s THR 24 N -2.20 4.96 -0.38 3.92 2.01 -1.26 -4.16 115.64 118.52 1ddn s THR 24 Ca 0.51 1.45 -0.28 0.00 0.31 0.00 0.00 61.69 63.68 1ddn s THR 24 Cb -0.10 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1ddn s THR 24 CO 0.27 0.10 1.83 -2.16 -0.69 0.00 0.00 174.62 173.97 1ddn s PRO 25 N 1.82 3.16 -0.03 4.92 0.04 -1.26 -4.92 135.00 138.74 1ddn s PRO 25 Ca 0.35 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1ddn s PRO 25 Cb -0.17 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.12 1ddn s PRO 25 CO 0.13 -2.06 -0.16 -0.51 0.04 0.00 0.00 177.00 174.43 1ddn s LEU 26 N 7.48 1.94 0.45 -3.56 1.43 -1.26 -1.20 118.68 123.96 1ddn s LEU 26 Ca 0.78 -0.32 0.32 0.00 -1.03 0.00 0.00 54.13 53.89 1ddn s LEU 26 Cb -0.21 -0.88 1.44 0.00 0.03 0.00 0.00 46.19 46.58 1ddn s LEU 26 CO 0.31 0.16 1.64 0.03 0.23 0.00 0.00 176.35 178.72 1ddn h ARG 27 N 6.09 0.09 -0.75 1.70 -0.00 -1.93 1.36 114.38 120.94 1ddn h ARG 27 Ca -0.34 -0.01 0.18 0.00 -0.50 0.00 0.00 59.98 59.32 1ddn h ARG 27 Cb 1.17 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 31.07 1ddn h ARG 27 CO 0.48 0.06 0.52 0.00 0.00 0.00 0.00 179.97 181.03 1ddn h ALA 28 N 1.52 2.38 0.00 0.04 0.00 -1.97 0.73 119.26 121.96 1ddn h ALA 28 Ca 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.70 1ddn h ALA 28 Cb 2.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.40 1ddn h ALA 28 CO -0.34 -0.59 -0.02 0.00 0.00 0.00 0.00 179.25 178.29 1ddn h ARG 29 N 0.22 0.00 -0.81 0.00 2.47 0.15 -2.45 114.38 113.95 1ddn h ARG 29 Ca 0.37 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 59.27 1ddn h ARG 29 Cb 1.12 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.33 1ddn h ARG 29 CO -0.08 0.90 0.31 0.82 0.56 0.00 0.00 179.97 182.48 1ddn h ILE 30 N -1.00 0.55 0.72 2.04 2.04 -1.15 0.50 117.51 121.21 1ddn h ILE 30 Ca -0.01 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1ddn h ILE 30 Cb 0.90 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1ddn h ILE 30 CO -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 178.15 177.87 1ddn h ALA 31 N 1.63 -0.97 -0.44 1.87 0.00 -0.97 0.60 119.26 120.98 1ddn h ALA 31 Ca 0.47 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1ddn h ALA 31 Cb 0.81 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1ddn h ALA 31 CO -0.48 -1.05 -0.50 0.93 0.00 0.00 0.00 179.25 178.15 1ddn h GLU 32 N -0.97 -0.34 -0.95 0.00 5.08 -0.49 0.30 114.58 117.21 1ddn h GLU 32 Ca -0.10 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ddn h GLU 32 Cb 0.75 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1ddn h GLU 32 CO 0.16 -0.22 0.59 0.00 -1.00 0.00 0.00 179.01 178.54 1ddn h ARG 33 N -0.35 1.28 -0.05 2.33 2.47 -0.03 -2.89 114.38 117.13 1ddn h ARG 33 Ca 0.11 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ddn h ARG 33 Cb 0.59 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1ddn h ARG 33 CO -0.61 0.88 0.00 1.28 0.56 0.00 0.00 179.97 182.08 1ddn n LEU 34 N -4.36 2.26 -3.48 3.04 4.77 0.20 -4.97 117.00 114.45 1ddn n LEU 34 Ca 0.11 -0.78 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 1ddn n LEU 34 Cb 0.04 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1ddn n LEU 34 CO 0.38 0.39 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.20 1ddn n GLU 35 N 0.76 -3.37 -4.33 3.23 1.02 0.10 -5.01 120.64 113.03 1ddn n GLU 35 Ca 0.17 0.72 -0.17 0.00 -0.02 0.00 0.00 57.16 57.85 1ddn n GLU 35 Cb 0.47 -5.31 -0.10 0.00 -0.02 0.00 0.00 31.44 26.48 1ddn n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ddn s GLN 36 N -5.27 1.30 0.49 3.49 -0.21 -0.93 -5.06 119.66 113.48 1ddn s GLN 36 Ca 0.28 -1.62 -0.20 0.00 0.02 0.00 0.00 55.36 53.83 1ddn s GLN 36 Cb -0.06 -0.80 -0.08 0.00 1.00 0.00 0.00 33.01 33.07 1ddn s GLN 36 CO 0.78 0.02 1.05 -1.54 -2.12 0.00 0.00 175.29 173.48 1ddn s SER 37 N -3.30 6.28 0.17 5.90 1.04 -1.26 -4.65 113.70 117.88 1ddn s SER 37 Ca 0.25 1.98 -0.15 0.00 0.48 0.00 0.00 55.95 58.51 1ddn s SER 37 Cb 0.03 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.71 1ddn s SER 37 CO 0.07 -0.83 1.73 1.23 0.98 0.00 0.00 173.24 176.42 1ddn h GLY 38 N 1.58 0.51 2.00 7.32 0.00 -1.97 -1.81 103.07 110.70 1ddn h GLY 38 Ca -0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1ddn h GLY 38 CO 0.59 -0.03 -0.15 -0.56 0.00 0.00 0.00 176.54 176.39 1ddn h PRO 39 N 0.23 0.00 0.23 4.80 0.14 -1.99 -1.12 132.00 134.29 1ddn h PRO 39 Ca 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.33 1ddn h PRO 39 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.38 1ddn h PRO 39 CO -0.26 0.15 -0.11 1.15 0.14 0.00 0.00 178.00 179.07 1ddn h THR 40 N 0.00 0.85 -0.27 1.56 2.02 -1.73 0.92 112.91 116.25 1ddn h THR 40 Ca -0.00 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.75 1ddn h THR 40 Cb 0.61 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 1ddn h THR 40 CO 0.02 0.11 -0.18 0.58 0.37 0.00 0.00 175.52 176.41 1ddn h VAL 41 N -0.55 0.49 -0.70 3.16 2.07 -0.93 -0.21 116.25 119.57 1ddn h VAL 41 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1ddn h VAL 41 Cb 0.41 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1ddn h VAL 41 CO 0.05 0.00 0.37 0.28 0.02 0.00 0.00 177.57 178.29 1ddn h SER 42 N -0.16 0.52 0.12 0.57 0.02 -1.08 0.17 113.55 113.71 1ddn h SER 42 Ca 0.15 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ddn h SER 42 Cb 0.39 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1ddn h SER 42 CO -0.37 0.32 -0.16 1.56 -1.14 0.00 0.00 176.83 177.04 1ddn h GLN 43 N 0.65 -0.31 -0.16 3.45 4.20 0.53 -1.69 115.11 121.79 1ddn h GLN 43 Ca 0.33 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 1ddn h GLN 43 Cb 0.28 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ddn h GLN 43 CO -0.23 -0.21 -0.04 1.15 -0.67 0.00 0.00 178.83 178.84 1ddn h THR 44 N -0.32 1.29 -0.37 -0.54 2.02 -0.70 -2.22 112.91 112.06 1ddn h THR 44 Ca 0.02 -0.99 0.11 0.00 0.77 0.00 0.00 66.41 66.31 1ddn h THR 44 Cb 0.32 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1ddn h THR 44 CO -0.07 0.29 0.27 0.58 0.37 0.00 0.00 175.52 176.96 1ddn h VAL 45 N 0.01 0.80 -0.34 3.16 2.07 -0.96 0.33 116.25 121.32 1ddn h VAL 45 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1ddn h VAL 45 Cb 0.47 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1ddn h VAL 45 CO 0.02 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 1ddn h ALA 46 N 1.81 0.45 -0.29 1.67 0.00 -0.77 0.10 119.26 122.24 1ddn h ALA 46 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ddn h ALA 46 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ddn h ALA 46 CO -0.00 0.18 0.13 -0.09 0.00 0.00 0.00 179.25 179.47 1ddn h ARG 47 N 0.40 0.41 -0.62 0.00 2.43 0.04 -1.60 114.38 115.45 1ddn h ARG 47 Ca 0.10 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ddn h ARG 47 Cb 0.39 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1ddn h ARG 47 CO 0.01 0.41 0.36 0.52 -1.51 0.00 0.00 179.97 179.76 1ddn h MET 48 N 0.32 0.84 -0.40 0.20 2.86 -0.42 -1.19 114.93 117.15 1ddn h MET 48 Ca 0.10 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1ddn h MET 48 Cb 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1ddn h MET 48 CO -0.01 0.60 -0.12 1.49 1.06 0.00 0.00 176.91 179.93 1ddn h GLU 49 N 0.85 0.71 -0.38 1.72 4.81 -0.40 0.20 114.58 122.09 1ddn h GLU 49 Ca 0.22 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ddn h GLU 49 Cb -0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1ddn h GLU 49 CO -0.04 0.80 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.74 1ddn h ARG 50 N 0.64 0.73 -0.73 1.92 2.43 -0.28 -2.24 114.38 116.85 1ddn h ARG 50 Ca 0.11 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1ddn h ARG 50 Cb 0.57 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1ddn h ARG 50 CO 0.04 0.88 0.00 -0.25 -1.51 0.00 0.00 179.97 179.12 1ddn n ASP 51 N -4.12 2.81 -3.84 -3.80 8.00 -0.58 -4.90 116.55 110.13 1ddn n ASP 51 Ca 0.00 -2.33 -0.27 0.00 0.71 0.00 0.00 54.79 52.90 1ddn n ASP 51 Cb 0.42 -0.51 0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1ddn n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddn n GLY 52 N 0.40 -0.42 0.07 0.44 0.00 -0.84 -4.88 105.19 99.96 1ddn n GLY 52 Ca 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1ddn n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddn n LEU 53 N -4.54 0.00 -3.92 0.99 4.77 0.04 -4.43 117.00 109.90 1ddn n LEU 53 Ca -0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 1ddn n LEU 53 Cb 0.58 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.94 1ddn n LEU 53 CO 0.73 0.33 0.02 0.54 -1.33 0.00 0.00 177.39 177.68 1ddn s VAL 54 N -2.67 0.06 -0.03 4.08 0.11 -1.21 -2.18 120.40 118.56 1ddn s VAL 54 Ca -0.08 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 1ddn s VAL 54 Cb 0.07 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 1ddn s VAL 54 CO 0.76 -0.28 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.53 1ddn s VAL 55 N -3.95 0.35 -0.50 2.04 1.01 0.31 -4.17 120.40 115.49 1ddn s VAL 55 Ca 0.15 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1ddn s VAL 55 Cb 0.03 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ddn s VAL 55 CO -0.01 0.17 0.82 -0.69 0.00 0.00 0.00 175.10 175.39 1ddn s VAL 56 N 0.84 4.59 1.27 2.92 1.01 -1.26 0.66 120.40 130.43 1ddn s VAL 56 Ca -0.10 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1ddn s VAL 56 Cb -0.13 -4.40 0.29 0.00 0.00 0.00 0.00 36.38 32.14 1ddn s VAL 56 CO -0.01 -0.89 0.66 0.00 0.00 0.00 0.00 175.10 174.87 1ddn n ALA 57 N 6.91 -3.46 1.18 5.51 0.00 0.35 -4.84 120.51 126.15 1ddn n ALA 57 Ca 0.01 -1.53 0.14 0.00 0.00 0.00 0.00 53.44 52.05 1ddn n ALA 57 Cb 0.47 -1.41 0.66 0.00 0.00 0.00 0.00 19.45 19.17 1ddn n ALA 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddn n SER 58 N -4.02 0.03 -0.97 0.00 7.64 -1.26 -2.56 113.62 112.48 1ddn n SER 58 Ca 0.09 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.24 1ddn n SER 58 Cb 0.52 -0.38 0.27 0.00 -1.01 0.00 0.00 64.21 63.61 1ddn n SER 58 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ddn n ASP 59 N -1.40 4.03 0.00 6.43 5.75 -1.26 -4.93 116.55 125.17 1ddn n ASP 59 Ca 0.10 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.86 1ddn n ASP 59 Cb 0.30 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1ddn n ASP 59 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ddn n ARG 60 N -0.43 0.00 -1.28 0.11 1.74 -1.06 -4.95 116.66 110.79 1ddn n ARG 60 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 1ddn n ARG 60 Cb 0.92 -2.41 0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1ddn n ARG 60 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ddn n SER 61 N 0.00 0.17 -4.46 0.55 3.41 -1.26 -4.58 113.62 107.45 1ddn n SER 61 Ca 0.00 0.63 -0.38 0.00 -0.26 0.00 0.00 58.87 58.85 1ddn n SER 61 Cb 0.00 -1.38 -0.12 0.00 -0.26 0.00 0.00 64.21 62.45 1ddn n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ddn s LEU 62 N -2.93 3.98 -0.38 1.04 1.43 -0.34 -0.50 118.68 120.98 1ddn s LEU 62 Ca 0.71 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 1ddn s LEU 62 Cb -0.33 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1ddn s LEU 62 CO 0.52 -0.15 0.29 -1.10 0.23 0.00 0.00 176.35 176.15 1ddn s GLN 63 N 1.64 3.23 0.23 1.70 -1.52 0.21 -4.85 119.66 120.29 1ddn s GLN 63 Ca 0.05 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 1ddn s GLN 63 Cb -0.17 -3.90 -0.09 0.00 -0.22 0.00 0.00 33.01 28.64 1ddn s GLN 63 CO 0.06 -0.62 1.26 -1.64 -0.25 0.00 0.00 175.29 174.10 1ddn s MET 64 N 1.75 4.44 0.71 2.91 -1.94 -1.26 0.11 119.30 126.01 1ddn s MET 64 Ca 0.06 2.01 -0.11 0.00 -1.71 0.00 0.00 55.69 55.94 1ddn s MET 64 Cb -0.18 -3.18 0.01 0.00 2.01 0.00 0.00 34.83 33.49 1ddn s MET 64 CO 0.11 -0.14 1.09 0.95 -0.01 0.00 0.00 175.02 177.01 1ddn s THR 65 N -0.30 3.59 0.47 2.05 -4.23 -0.93 -4.74 115.64 111.55 1ddn s THR 65 Ca 0.53 0.52 0.15 0.00 -1.18 0.00 0.00 61.69 61.71 1ddn s THR 65 Cb -0.36 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.32 1ddn s THR 65 CO 0.41 -0.68 2.04 -0.65 -0.54 0.00 0.00 174.62 175.20 1ddn h PRO 66 N -0.67 0.26 -0.04 3.99 0.11 -1.90 0.39 132.00 134.14 1ddn h PRO 66 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ddn h PRO 66 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ddn h PRO 66 CO 0.63 0.17 -0.02 1.15 -0.21 0.00 0.00 178.00 179.72 1ddn h THR 67 N 0.27 1.33 -0.89 -1.15 2.02 -1.89 -2.49 112.91 110.11 1ddn h THR 67 Ca 0.18 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1ddn h THR 67 Cb 0.39 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1ddn h THR 67 CO -0.04 0.27 0.49 1.23 0.37 0.00 0.00 175.52 177.85 1ddn h GLY 68 N -0.32 1.32 1.92 2.16 0.00 -1.35 -2.03 103.07 104.76 1ddn h GLY 68 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1ddn h GLY 68 CO 0.01 0.57 -0.10 -0.09 0.00 0.00 0.00 176.54 176.92 1ddn h ARG 69 N 1.24 0.11 0.44 4.80 2.43 -0.19 -1.25 114.38 121.97 1ddn h ARG 69 Ca 0.31 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1ddn h ARG 69 Cb 0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ddn h ARG 69 CO -0.05 0.22 -0.21 1.15 -1.51 0.00 0.00 179.97 179.57 1ddn h THR 70 N 0.11 0.47 0.00 0.20 2.02 -0.89 -1.59 112.91 113.23 1ddn h THR 70 Ca 0.02 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1ddn h THR 70 Cb 0.25 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1ddn h THR 70 CO 0.01 0.07 -0.20 0.17 0.37 0.00 0.00 175.52 175.94 1ddn h LEU 71 N -0.89 0.00 -0.38 2.58 -0.00 -1.53 -0.62 115.31 114.46 1ddn h LEU 71 Ca -0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.89 1ddn h LEU 71 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.17 1ddn h LEU 71 CO 0.10 0.20 -0.00 0.00 -0.00 0.00 0.00 178.44 178.74 1ddn h ALA 72 N 1.80 0.35 -0.08 0.17 0.00 -1.07 0.91 119.26 121.33 1ddn h ALA 72 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ddn h ALA 72 Cb 0.68 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ddn h ALA 72 CO 0.03 -0.40 -0.00 1.15 0.00 0.00 0.00 179.25 180.03 1ddn h THR 73 N 0.10 1.26 -0.71 0.00 2.02 -0.21 -2.80 112.91 112.57 1ddn h THR 73 Ca 0.19 -0.82 0.12 0.00 0.77 0.00 0.00 66.41 66.67 1ddn h THR 73 Cb 0.26 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 68.24 1ddn h THR 73 CO -0.32 0.23 0.27 0.00 0.37 0.00 0.00 175.52 176.08 1ddn h ALA 74 N 0.72 0.96 -0.20 6.16 0.00 -0.55 0.58 119.26 126.93 1ddn h ALA 74 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ddn h ALA 74 Cb 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ddn h ALA 74 CO 0.00 -0.20 0.11 0.28 0.00 0.00 0.00 179.25 179.45 1ddn h VAL 75 N 0.44 1.10 -0.74 0.00 2.07 -0.82 0.61 116.25 118.90 1ddn h VAL 75 Ca 0.38 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.75 1ddn h VAL 75 Cb 0.53 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1ddn h VAL 75 CO -0.37 0.09 0.36 -0.03 0.02 0.00 0.00 177.57 177.64 1ddn h MET 76 N 0.22 0.56 0.32 1.57 4.05 -0.75 0.49 114.93 121.40 1ddn h MET 76 Ca 0.07 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1ddn h MET 76 Cb 0.05 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1ddn h MET 76 CO -0.01 0.37 -0.16 -0.09 0.23 0.00 0.00 176.91 177.25 1ddn h ARG 77 N 0.58 -0.42 -0.37 0.39 2.43 0.87 -2.08 114.38 115.77 1ddn h ARG 77 Ca 0.38 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1ddn h ARG 77 Cb 0.46 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ddn h ARG 77 CO -0.31 -0.22 -0.22 0.87 -1.51 0.00 0.00 179.97 178.58 1ddn h LYS 78 N -0.53 0.73 -0.31 0.20 1.57 -0.56 -1.71 116.57 115.96 1ddn h LYS 78 Ca -0.04 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1ddn h LYS 78 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1ddn h LYS 78 CO 0.07 0.88 0.04 1.25 -0.57 0.00 0.00 179.45 181.12 1ddn h HIS 79 N 0.64 0.06 -0.37 -1.35 2.76 0.08 0.29 115.15 117.26 1ddn h HIS 79 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1ddn h HIS 79 Cb 0.71 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 1ddn h HIS 79 CO 0.03 -0.01 0.20 0.00 -1.30 0.00 0.00 177.93 176.85 1ddn h ARG 80 N 0.14 0.51 -0.43 5.26 3.08 -1.14 -1.61 114.38 120.20 1ddn h ARG 80 Ca 0.15 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.18 1ddn h ARG 80 Cb 0.18 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1ddn h ARG 80 CO -0.22 0.43 0.20 -0.07 -1.07 0.00 0.00 179.97 179.24 1ddn h LEU 81 N 0.46 0.28 -0.85 3.04 3.38 -0.70 -1.95 115.31 118.98 1ddn h LEU 81 Ca 0.13 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ddn h LEU 81 Cb 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1ddn h LEU 81 CO -0.02 0.20 0.54 0.00 0.09 0.00 0.00 178.44 179.25 1ddn h ALA 82 N 1.24 1.12 -0.57 1.53 0.00 -0.07 0.14 119.26 122.65 1ddn h ALA 82 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ddn h ALA 82 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1ddn h ALA 82 CO -0.15 0.36 0.37 0.93 0.00 0.00 0.00 179.25 180.77 1ddn h GLU 83 N 1.04 0.73 0.77 0.00 5.08 -0.71 0.15 114.58 121.65 1ddn h GLU 83 Ca 0.34 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1ddn h GLU 83 Cb 0.03 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ddn h GLU 83 CO -0.12 0.48 -0.37 -0.09 -1.00 0.00 0.00 179.01 177.91 1ddn h ARG 84 N 0.75 -1.00 -0.88 2.33 2.43 -0.74 0.46 114.38 117.73 1ddn h ARG 84 Ca 0.21 0.07 0.24 0.00 -0.81 0.00 0.00 59.98 59.69 1ddn h ARG 84 Cb -0.07 0.23 -0.15 0.00 -0.42 0.00 0.00 29.97 29.56 1ddn h ARG 84 CO -0.06 -0.66 0.14 1.25 -1.51 0.00 0.00 179.97 179.13 1ddn h LEU 85 N -1.26 -0.19 -0.08 3.80 7.12 -0.88 2.06 115.31 125.87 1ddn h LEU 85 Ca -0.11 0.22 -0.04 0.00 0.13 0.00 0.00 57.88 58.09 1ddn h LEU 85 Cb 0.80 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1ddn h LEU 85 CO 0.17 -0.22 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.11 1ddn h LEU 86 N 0.13 0.22 -0.17 2.25 3.38 -0.60 -2.54 115.31 117.98 1ddn h LEU 86 Ca 0.54 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ddn h LEU 86 Cb 1.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ddn h LEU 86 CO -0.73 0.67 -0.31 0.74 0.09 0.00 0.00 178.44 178.90 1ddn h THR 87 N -0.23 1.35 0.00 0.22 2.02 0.27 -1.63 112.91 114.90 1ddn h THR 87 Ca 0.01 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1ddn h THR 87 Cb 0.61 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1ddn h THR 87 CO 0.02 0.47 0.00 0.47 0.37 0.00 0.00 175.52 176.85 1ddn n ASP 88 N -4.36 0.00 0.01 4.18 9.92 0.67 -3.94 116.55 123.03 1ddn n ASP 88 Ca -0.06 0.40 -0.11 0.00 -0.53 0.00 0.00 54.79 54.49 1ddn n ASP 88 Cb 0.48 -0.31 -0.09 0.00 -0.64 0.00 0.00 41.12 40.57 1ddn n ASP 88 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1ddn h ILE 89 N 0.00 1.07 0.00 0.53 3.07 -1.69 -3.31 117.51 117.17 1ddn h ILE 89 Ca 0.00 -1.41 -0.05 0.00 1.55 0.00 0.00 64.86 64.95 1ddn h ILE 89 Cb 0.00 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 1ddn h ILE 89 CO 0.00 0.30 -0.24 0.40 -1.05 0.00 0.00 178.15 177.56 1ddn h ILE 90 N -0.86 1.15 -3.20 0.16 2.04 -1.55 -3.47 117.51 111.78 1ddn h ILE 90 Ca -0.01 -0.84 -0.27 0.00 1.00 0.00 0.00 64.86 64.74 1ddn h ILE 90 Cb 0.59 1.45 0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1ddn h ILE 90 CO 0.02 0.24 -0.41 0.61 0.00 0.00 0.00 178.15 178.61 1ddn n GLY 91 N -0.81 -0.11 3.81 5.37 0.00 -0.65 -5.02 105.19 107.78 1ddn n GLY 91 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1ddn n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddn s LEU 92 N -4.63 2.73 0.26 0.99 2.96 -0.97 -4.95 118.68 115.07 1ddn s LEU 92 Ca 0.21 1.37 -0.31 0.00 -0.22 0.00 0.00 54.13 55.19 1ddn s LEU 92 Cb -0.09 -4.05 -0.12 0.00 0.50 0.00 0.00 46.19 42.43 1ddn s LEU 92 CO 0.27 -1.83 1.64 -0.62 -1.32 0.00 0.00 176.35 174.49 1ddn s ASP 93 N -3.90 6.38 0.59 3.68 2.15 -1.26 -4.75 116.67 119.55 1ddn s ASP 93 Ca 0.60 2.91 0.34 0.00 0.43 0.00 0.00 52.55 56.84 1ddn s ASP 93 Cb -0.14 -2.62 1.83 0.00 -0.30 0.00 0.00 42.92 41.68 1ddn s ASP 93 CO 0.54 -0.94 2.19 -0.29 -0.17 0.00 0.00 175.17 176.51 1ddn h ILE 94 N 3.56 0.30 0.00 4.11 6.09 -1.96 0.33 117.51 129.94 1ddn h ILE 94 Ca -0.45 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1ddn h ILE 94 Cb 1.21 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1ddn h ILE 94 CO 0.86 0.04 0.00 0.59 -3.07 0.00 0.00 178.15 176.57 1ddn n ASN 95 N -3.43 0.33 -0.05 2.19 3.02 -1.26 -3.08 115.26 112.98 1ddn n ASN 95 Ca -0.02 0.57 0.02 0.00 -0.03 0.00 0.00 54.58 55.12 1ddn n ASN 95 Cb 0.16 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 1ddn n ASN 95 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ddn n LYS 96 N -1.85 4.07 -0.27 3.52 5.02 0.06 -4.73 118.16 123.99 1ddn n LYS 96 Ca 0.04 -0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.15 1ddn n LYS 96 Cb 0.24 -0.80 0.24 0.00 -0.02 0.00 0.00 35.03 34.69 1ddn n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ddn h VAL 97 N 0.24 1.13 0.46 -0.18 2.07 -1.36 -2.84 116.25 115.77 1ddn h VAL 97 Ca 0.00 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1ddn h VAL 97 Cb 0.13 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1ddn h VAL 97 CO 0.00 0.19 -0.22 -0.74 0.02 0.00 0.00 177.57 176.82 1ddn h HIS 98 N 1.03 -0.58 -0.22 1.57 -0.00 -1.85 -1.05 115.15 114.06 1ddn h HIS 98 Ca 0.34 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.76 1ddn h HIS 98 Cb 0.06 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1ddn h HIS 98 CO -0.00 -0.36 0.48 -0.44 -0.00 0.00 0.00 177.93 177.61 1ddn h ASP 99 N -0.88 0.00 0.00 3.26 3.32 -1.88 1.15 116.42 121.39 1ddn h ASP 99 Ca -0.06 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1ddn h ASP 99 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1ddn h ASP 99 CO 0.10 0.00 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.23 1ddn h GLU 100 N 0.00 0.00 -0.02 3.56 4.57 -1.47 -3.29 114.58 117.93 1ddn h GLU 100 Ca 0.10 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1ddn h GLU 100 Cb 1.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1ddn h GLU 100 CO -0.00 0.68 0.02 0.00 -1.18 0.00 0.00 179.01 178.53 1ddn h ALA 101 N -0.42 1.90 -0.04 2.92 0.00 0.57 0.14 119.26 124.33 1ddn h ALA 101 Ca -0.07 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ddn h ALA 101 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ddn h ALA 101 CO -0.04 -0.03 0.07 0.22 0.00 0.00 0.00 179.25 179.46 1ddn h ASP 102 N 0.00 0.00 0.03 0.00 1.82 0.12 -0.74 116.42 117.64 1ddn h ASP 102 Ca 0.01 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.26 1ddn h ASP 102 Cb 0.05 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.00 1ddn h ASP 102 CO -0.00 0.00 -2.32 0.54 -1.61 0.00 0.00 179.24 175.85 1ddn n ARG 103 N -3.56 0.66 -0.16 0.28 1.74 0.41 -4.47 116.66 111.55 1ddn n ARG 103 Ca -0.02 0.22 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 1ddn n ARG 103 Cb 0.15 -1.57 0.22 0.00 -1.02 0.00 0.00 32.46 30.25 1ddn n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ddn h TRP 104 N -0.24 0.88 -0.66 -1.55 4.06 -0.99 -2.75 115.95 114.70 1ddn h TRP 104 Ca -0.56 -0.03 0.19 0.00 2.06 0.00 0.00 58.89 60.55 1ddn h TRP 104 Cb 1.84 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 29.69 1ddn h TRP 104 CO 0.02 0.65 0.74 1.05 -3.56 0.00 0.00 178.44 177.34 1ddn h GLU 105 N 0.89 0.00 -0.49 0.49 4.11 -1.36 0.29 114.58 118.51 1ddn h GLU 105 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1ddn h GLU 105 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ddn h GLU 105 CO -0.03 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.77 1ddn n HIS 106 N -3.55 0.64 -0.09 2.06 8.25 -1.04 -4.18 115.22 117.32 1ddn n HIS 106 Ca 0.14 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1ddn n HIS 106 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 1ddn n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1ddn n VAL 107 N 1.19 0.00 -2.33 1.59 0.24 0.91 -4.99 118.33 114.94 1ddn n VAL 107 Ca 0.19 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 1ddn n VAL 107 Cb 0.51 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.93 1ddn n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ddn s MET 108 N -0.20 4.39 0.54 7.34 1.00 -0.48 -5.02 119.30 126.87 1ddn s MET 108 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 55.69 57.56 1ddn s MET 108 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 34.83 31.54 1ddn s MET 108 CO 0.00 -0.32 0.79 -1.54 0.00 0.00 0.00 175.02 173.95 1ddn s SER 109 N 1.07 5.47 0.32 3.03 1.04 -1.26 -4.93 113.70 118.44 1ddn s SER 109 Ca 0.61 0.27 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1ddn s SER 109 Cb -0.32 -1.27 0.53 0.00 0.10 0.00 0.00 66.02 65.06 1ddn s SER 109 CO 0.30 -1.03 1.84 0.44 0.98 0.00 0.00 173.24 175.76 1ddn h ASP 110 N 0.06 0.53 -0.01 7.02 3.32 -1.98 0.21 116.42 125.57 1ddn h ASP 110 Ca -0.44 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1ddn h ASP 110 Cb 1.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ddn h ASP 110 CO 0.56 0.63 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.37 1ddn h GLU 111 N 0.53 0.02 -0.13 3.56 3.07 -1.98 0.47 114.58 120.11 1ddn h GLU 111 Ca 0.11 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1ddn h GLU 111 Cb 0.40 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1ddn h GLU 111 CO 0.02 0.43 -0.02 0.28 -1.40 0.00 0.00 179.01 178.32 1ddn h VAL 112 N -0.38 1.10 0.62 3.13 2.07 -1.88 -1.96 116.25 118.94 1ddn h VAL 112 Ca 0.00 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1ddn h VAL 112 Cb 0.42 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1ddn h VAL 112 CO 0.00 0.13 -0.30 -0.08 0.02 0.00 0.00 177.57 177.34 1ddn h GLU 113 N 0.19 -0.81 -1.74 1.57 4.81 -0.23 -0.58 114.58 117.79 1ddn h GLU 113 Ca 0.05 0.05 0.54 0.00 -0.13 0.00 0.00 59.36 59.87 1ddn h GLU 113 Cb 0.16 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.62 1ddn h GLU 113 CO 0.00 -0.54 1.21 -2.13 -0.73 0.00 0.00 179.01 176.83 1ddn n ARG 114 N -4.74 -0.01 -0.10 1.92 0.63 0.16 -1.19 116.66 113.33 1ddn n ARG 114 Ca -0.10 1.14 -0.17 0.00 -0.92 0.00 0.00 57.85 57.80 1ddn n ARG 114 Cb 0.33 -2.48 -0.09 0.00 0.45 0.00 0.00 32.46 30.67 1ddn n ARG 114 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ddn n ARG 115 N -4.22 0.53 -0.38 -0.14 5.12 -0.78 -3.98 116.66 112.81 1ddn n ARG 115 Ca 0.43 0.55 0.34 0.00 -1.93 0.00 0.00 57.85 57.23 1ddn n ARG 115 Cb 1.84 -1.72 0.61 0.00 -1.16 0.00 0.00 32.46 32.03 1ddn n ARG 115 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ddn h LEU 116 N -1.00 0.30 -0.69 0.55 7.12 0.40 2.06 115.31 124.05 1ddn h LEU 116 Ca -0.26 0.21 -0.14 0.00 0.13 0.00 0.00 57.88 57.82 1ddn h LEU 116 Cb 1.09 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.41 1ddn h LEU 116 CO -0.16 -0.32 -0.46 1.62 -0.13 0.00 0.00 178.44 178.99 1ddn h VAL 117 N 0.06 1.32 -0.26 1.05 3.04 -1.65 0.16 116.25 119.97 1ddn h VAL 117 Ca 0.84 -1.66 -0.13 0.00 -1.01 0.00 0.00 66.70 64.74 1ddn h VAL 117 Cb 2.38 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 1ddn h VAL 117 CO -0.62 0.51 -0.36 0.11 -1.01 0.00 0.00 177.57 176.20 1ddn h LYS 118 N 0.37 0.58 -0.01 4.17 1.57 0.31 -3.17 116.57 120.39 1ddn h LYS 118 Ca 0.02 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1ddn h LYS 118 Cb 0.95 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1ddn h LYS 118 CO 0.08 0.86 -0.39 1.33 -0.57 0.00 0.00 179.45 180.76 1ddn n VAL 119 N -4.05 0.00 0.87 0.50 0.24 0.05 -5.11 118.33 110.83 1ddn n VAL 119 Ca -0.01 -0.24 0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1ddn n VAL 119 Cb 0.49 1.04 0.09 0.00 -1.47 0.00 0.00 33.84 33.99 1ddn n VAL 119 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87