#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 0.10 0.00 -2.67 4.32 -1.26 -4.91 117.00 112.58 1ddn n LEU 4 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1ddn n LEU 4 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1ddn n LEU 4 CO 0.00 0.02 0.00 0.52 -1.22 0.00 0.00 177.39 176.71 1ddn n VAL 5 N -0.53 0.00 -4.08 4.08 0.31 -1.26 -3.96 118.33 112.89 1ddn n VAL 5 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 1ddn n VAL 5 Cb 0.03 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.82 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 -3.76 3.90 -0.01 4.52 -1.08 -1.26 -5.04 116.67 113.93 1ddn s ASP 6 Ca 0.00 -0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 51.42 1ddn s ASP 6 Cb 0.00 -1.64 -0.08 0.00 -1.46 0.00 0.00 42.92 39.74 1ddn s ASP 6 CO 0.00 0.01 0.73 0.74 0.52 0.00 0.00 175.17 177.17 1ddn h THR 7 N 5.75 0.00 -0.89 1.71 2.02 -2.01 -2.96 112.91 116.53 1ddn h THR 7 Ca -0.41 -0.37 0.17 0.00 0.77 0.00 0.00 66.41 66.57 1ddn h THR 7 Cb 1.16 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.40 1ddn h THR 7 CO 0.61 0.00 -0.24 0.74 0.37 0.00 0.00 175.52 176.99 1ddn h THR 8 N -0.90 0.10 0.00 3.16 2.02 -1.96 0.57 112.91 115.90 1ddn h THR 8 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ddn h THR 8 Cb 0.41 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1ddn h THR 8 CO 0.09 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.59 1ddn h GLU 9 N -0.01 0.00 0.00 6.66 5.08 -1.95 -1.06 114.58 123.30 1ddn h GLU 9 Ca 0.41 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.59 1ddn h GLU 9 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ddn h GLU 9 CO -0.92 0.06 -1.10 0.52 -1.00 0.00 0.00 179.01 176.57 1ddn h MET 10 N 0.00 0.00 -0.02 2.33 2.86 0.23 -2.30 114.93 118.02 1ddn h MET 10 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1ddn h MET 10 Cb 0.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1ddn h MET 10 CO 0.01 0.54 -0.53 1.88 1.06 0.00 0.00 176.91 179.86 1ddn h TYR 11 N 0.00 0.07 0.02 -0.22 -1.99 -0.07 -1.07 116.97 113.71 1ddn h TYR 11 Ca -0.10 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1ddn h TYR 11 Cb 1.63 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.35 1ddn h TYR 11 CO 0.00 0.57 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.65 1ddn h LEU 12 N 0.04 -0.02 -1.58 3.88 4.07 -1.25 -2.08 115.31 118.38 1ddn h LEU 12 Ca -0.00 -0.70 0.07 0.00 0.08 0.00 0.00 57.88 57.32 1ddn h LEU 12 Cb 0.95 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 1ddn h LEU 12 CO 0.07 0.72 0.38 -0.09 -1.08 0.00 0.00 178.44 178.44 1ddn h ARG 13 N -0.80 0.50 0.03 1.13 2.43 -1.37 0.49 114.38 116.78 1ddn h ARG 13 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ddn h ARG 13 Cb 0.72 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1ddn h ARG 13 CO 0.00 0.33 -0.01 1.15 -1.51 0.00 0.00 179.97 179.93 1ddn h THR 14 N 0.51 1.27 -0.65 0.20 2.02 -1.20 -0.32 112.91 114.74 1ddn h THR 14 Ca 0.25 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.54 1ddn h THR 14 Cb 0.34 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 1ddn h THR 14 CO -0.07 0.24 0.37 0.40 0.37 0.00 0.00 175.52 176.83 1ddn h ILE 15 N -0.45 0.99 0.00 3.11 2.04 -0.72 0.10 117.51 122.58 1ddn h ILE 15 Ca -0.00 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1ddn h ILE 15 Cb 0.42 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ddn h ILE 15 CO 0.01 0.13 -0.12 0.22 0.00 0.00 0.00 178.15 178.38 1ddn h TYR 16 N 0.69 0.00 0.10 1.37 5.03 -0.81 -2.12 116.97 121.23 1ddn h TYR 16 Ca 0.29 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.34 1ddn h TYR 16 Cb 0.15 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1ddn h TYR 16 CO -0.07 0.12 -1.20 0.93 -1.32 0.00 0.00 178.16 176.62 1ddn h GLU 17 N 0.00 0.21 -0.48 1.82 5.08 0.91 -3.00 114.58 119.12 1ddn h GLU 17 Ca -0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1ddn h GLU 17 Cb 0.26 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ddn h GLU 17 CO 0.02 1.16 0.13 -0.07 -1.00 0.00 0.00 179.01 179.25 1ddn h LEU 18 N 0.06 0.71 0.23 1.33 3.38 -0.27 -2.90 115.31 117.84 1ddn h LEU 18 Ca -0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1ddn h LEU 18 Cb 1.93 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1ddn h LEU 18 CO 0.18 0.74 -0.12 -0.33 0.09 0.00 0.00 178.44 179.01 1ddn h GLU 19 N 0.64 -0.31 -1.15 1.13 5.08 -1.52 -2.06 114.58 116.39 1ddn h GLU 19 Ca 0.15 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.87 1ddn h GLU 19 Cb 0.30 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1ddn h GLU 19 CO -0.00 -0.21 0.85 1.49 -1.00 0.00 0.00 179.01 180.14 1ddn h GLU 20 N -0.33 0.00 -0.33 2.33 4.81 -1.41 0.15 114.58 119.81 1ddn h GLU 20 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ddn h GLU 20 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ddn h GLU 20 CO 0.04 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.47 1ddn n GLU 21 N -4.12 3.06 0.00 1.92 0.28 -0.92 -4.98 120.64 115.87 1ddn n GLU 21 Ca 0.25 -2.60 0.00 0.00 -0.16 0.00 0.00 57.16 54.65 1ddn n GLU 21 Cb 1.23 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 32.43 1ddn n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ddn n GLY 22 N 0.01 3.07 3.72 -1.84 0.00 0.54 -5.02 105.19 105.66 1ddn n GLY 22 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ddn n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ddn n VAL 23 N -1.91 3.96 -2.70 1.61 0.31 -0.82 -4.92 118.33 113.86 1ddn n VAL 23 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 1ddn n VAL 23 Cb 0.00 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1ddn n VAL 23 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ddn s THR 24 N -1.34 4.45 -0.22 2.52 2.01 -1.26 -4.13 115.64 117.67 1ddn s THR 24 Ca 0.74 1.33 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 1ddn s THR 24 Cb -0.42 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 67.61 1ddn s THR 24 CO 0.48 -0.67 2.15 -2.16 -0.69 0.00 0.00 174.62 173.73 1ddn s PRO 25 N 3.81 3.19 0.03 4.92 0.04 -1.26 -4.89 135.00 140.84 1ddn s PRO 25 Ca 0.43 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.47 1ddn s PRO 25 Cb -0.11 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.07 1ddn s PRO 25 CO 0.22 -2.03 -0.12 -0.51 0.04 0.00 0.00 177.00 174.59 1ddn s LEU 26 N 7.98 2.15 0.33 -3.56 1.43 -1.26 -1.37 118.68 124.37 1ddn s LEU 26 Ca 0.97 -0.41 0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1ddn s LEU 26 Cb -0.32 -0.52 0.97 0.00 0.03 0.00 0.00 46.19 46.36 1ddn s LEU 26 CO 0.35 0.02 1.69 0.03 0.23 0.00 0.00 176.35 178.67 1ddn h ARG 27 N 5.09 0.40 -0.81 1.70 3.08 -1.91 0.80 114.38 122.73 1ddn h ARG 27 Ca -0.36 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.80 1ddn h ARG 27 Cb 1.18 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 1ddn h ARG 27 CO 0.45 0.27 0.53 0.00 -1.07 0.00 0.00 179.97 180.14 1ddn h ALA 28 N 1.79 1.94 -0.17 0.04 0.00 -1.96 0.17 119.26 121.08 1ddn h ALA 28 Ca 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.57 1ddn h ALA 28 Cb 1.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ddn h ALA 28 CO -0.56 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 178.55 1ddn h ARG 29 N 0.58 0.29 -0.77 0.00 -0.00 0.27 -2.27 114.38 112.48 1ddn h ARG 29 Ca 0.39 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.98 59.75 1ddn h ARG 29 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.62 1ddn h ARG 29 CO -0.15 0.50 0.35 0.82 0.00 0.00 0.00 179.97 181.49 1ddn h ILE 30 N 0.05 1.25 -0.96 2.04 2.04 -0.75 -1.31 117.51 119.87 1ddn h ILE 30 Ca 0.05 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1ddn h ILE 30 Cb 0.36 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1ddn h ILE 30 CO 0.01 0.30 0.61 0.00 0.00 0.00 0.00 178.15 179.07 1ddn h ALA 31 N 1.18 1.32 -0.19 1.87 0.00 -0.57 -0.03 119.26 122.84 1ddn h ALA 31 Ca 0.26 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1ddn h ALA 31 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ddn h ALA 31 CO -0.03 0.41 -0.34 0.93 0.00 0.00 0.00 179.25 180.22 1ddn h GLU 32 N 1.13 0.57 -0.27 0.00 5.08 -0.81 -1.53 114.58 118.75 1ddn h GLU 32 Ca 0.41 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ddn h GLU 32 Cb 0.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ddn h GLU 32 CO -0.17 0.96 -0.13 0.00 -1.00 0.00 0.00 179.01 178.67 1ddn h ARG 33 N 0.23 0.57 -0.00 2.33 2.47 -0.99 -3.16 114.38 115.83 1ddn h ARG 33 Ca 0.01 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1ddn h ARG 33 Cb 0.93 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1ddn h ARG 33 CO 0.08 0.82 -0.13 1.28 0.56 0.00 0.00 179.97 182.58 1ddn n LEU 34 N -4.44 0.52 -3.07 3.04 4.77 -0.05 -4.93 117.00 112.84 1ddn n LEU 34 Ca -0.04 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.71 1ddn n LEU 34 Cb 0.36 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1ddn n LEU 34 CO 0.41 0.10 0.04 -0.62 -1.33 0.00 0.00 177.39 175.99 1ddn n GLU 35 N -0.94 -5.36 -4.25 3.23 1.02 -0.65 -5.00 120.64 108.70 1ddn n GLU 35 Ca 0.14 0.89 -0.27 0.00 -0.02 0.00 0.00 57.16 57.90 1ddn n GLU 35 Cb 0.29 -5.76 -0.09 0.00 -0.02 0.00 0.00 31.44 25.86 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 -5.79 2.21 0.93 3.49 -0.21 -0.75 -5.04 119.66 114.51 1ddn s GLN 36 Ca 0.35 -1.18 -0.10 0.00 0.02 0.00 0.00 55.36 54.44 1ddn s GLN 36 Cb -0.15 -2.25 0.16 0.00 1.00 0.00 0.00 33.01 31.76 1ddn s GLN 36 CO 0.43 0.45 1.13 -1.54 -2.12 0.00 0.00 175.29 173.64 1ddn s SER 37 N -2.84 2.80 0.04 5.90 1.04 -1.26 -4.61 113.70 114.77 1ddn s SER 37 Ca 0.26 2.09 -0.26 0.00 0.48 0.00 0.00 55.95 58.52 1ddn s SER 37 Cb -0.09 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.32 1ddn s SER 37 CO 0.17 -3.16 1.47 1.23 0.98 0.00 0.00 173.24 173.92 1ddn h GLY 38 N -1.91 -0.34 1.47 7.32 0.00 -1.97 -1.81 103.07 105.83 1ddn h GLY 38 Ca -0.45 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1ddn h GLY 38 CO 0.43 -0.12 -0.00 -2.55 0.00 0.00 0.00 176.54 174.30 1ddn h PRO 39 N -0.52 0.65 0.26 4.80 0.11 -1.99 -1.06 132.00 134.26 1ddn h PRO 39 Ca -0.03 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 65.93 1ddn h PRO 39 Cb 0.39 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 1ddn h PRO 39 CO 0.05 0.67 -0.44 1.15 -0.21 0.00 0.00 178.00 179.23 1ddn h THR 40 N 0.62 0.13 -0.95 -1.15 2.02 -1.91 0.47 112.91 112.13 1ddn h THR 40 Ca 0.13 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.45 1ddn h THR 40 Cb 0.39 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 1ddn h THR 40 CO 0.01 0.00 0.60 0.58 0.37 0.00 0.00 175.52 177.09 1ddn h VAL 41 N -0.77 0.86 -0.42 3.16 2.07 -0.91 -0.25 116.25 119.98 1ddn h VAL 41 Ca -0.01 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1ddn h VAL 41 Cb 0.73 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1ddn h VAL 41 CO -0.17 0.15 -0.20 0.28 0.02 0.00 0.00 177.57 177.66 1ddn h SER 42 N 0.83 0.84 0.81 0.57 0.02 -0.16 -1.97 113.55 114.50 1ddn h SER 42 Ca 0.48 -0.30 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1ddn h SER 42 Cb 0.64 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1ddn h SER 42 CO -0.25 1.02 -0.96 -0.61 -1.14 0.00 0.00 176.83 174.89 1ddn h GLN 43 N 0.73 0.08 -0.25 3.45 4.15 0.15 -2.63 115.11 120.79 1ddn h GLN 43 Ca 0.10 -0.11 -0.20 0.00 0.77 0.00 0.00 58.65 59.21 1ddn h GLN 43 Cb 0.72 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1ddn h GLN 43 CO 0.06 0.97 -0.62 1.15 -1.93 0.00 0.00 178.83 178.46 1ddn h THR 44 N 0.03 1.27 0.00 2.39 2.02 -1.07 -2.66 112.91 114.91 1ddn h THR 44 Ca -0.03 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 1ddn h THR 44 Cb 1.66 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1ddn h THR 44 CO 0.14 0.58 -0.21 0.58 0.37 0.00 0.00 175.52 176.98 1ddn h VAL 45 N 0.64 0.85 -0.13 3.16 2.07 -1.37 -2.61 116.25 118.86 1ddn h VAL 45 Ca -0.01 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1ddn h VAL 45 Cb 1.24 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1ddn h VAL 45 CO 0.13 0.21 0.03 0.00 0.02 0.00 0.00 177.57 177.96 1ddn h ALA 46 N 1.79 0.17 -0.24 1.67 0.00 -1.11 -1.59 119.26 119.94 1ddn h ALA 46 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ddn h ALA 46 Cb 0.46 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ddn h ALA 46 CO 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.02 1ddn h ARG 47 N -0.00 0.00 -0.79 0.00 3.08 -1.30 0.99 114.38 116.36 1ddn h ARG 47 Ca 0.04 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.21 1ddn h ARG 47 Cb 0.26 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1ddn h ARG 47 CO 0.00 0.00 0.52 0.52 -1.07 0.00 0.00 179.97 179.94 1ddn h MET 48 N 0.00 0.59 0.16 0.04 2.86 -1.35 0.56 114.93 117.80 1ddn h MET 48 Ca 0.12 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1ddn h MET 48 Cb 0.18 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1ddn h MET 48 CO -0.25 0.39 -0.08 1.49 1.06 0.00 0.00 176.91 179.53 1ddn h GLU 49 N 0.61 -0.21 -0.34 1.72 4.81 -0.04 0.68 114.58 121.82 1ddn h GLU 49 Ca 0.38 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.70 1ddn h GLU 49 Cb 0.63 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 1ddn h GLU 49 CO -0.15 0.17 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.03 1ddn h ARG 50 N -0.62 -0.13 -0.48 1.92 2.43 0.40 0.65 114.38 118.55 1ddn h ARG 50 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ddn h ARG 50 Cb 0.47 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ddn h ARG 50 CO 0.04 -0.09 0.00 -0.25 -1.51 0.00 0.00 179.97 178.16 1ddn n ASP 51 N -5.35 0.48 -4.06 -3.80 8.00 0.18 -4.84 116.55 107.15 1ddn n ASP 51 Ca 0.01 -1.31 -0.31 0.00 0.71 0.00 0.00 54.79 53.89 1ddn n ASP 51 Cb 0.27 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.17 -0.36 0.11 0.44 0.00 0.23 -4.88 105.19 100.90 1ddn n GLY 52 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.43 1.96 -3.78 0.99 4.77 0.23 -4.60 117.00 112.13 1ddn n LEU 53 Ca -0.10 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1ddn n LEU 53 Cb 0.58 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1ddn n LEU 53 CO 0.80 0.77 -0.12 0.68 -1.33 0.00 0.00 177.39 178.18 1ddn s VAL 54 N -2.48 -0.01 -0.04 4.08 -7.23 -1.20 -1.51 120.40 112.00 1ddn s VAL 54 Ca -0.25 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1ddn s VAL 54 Cb 0.08 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 1ddn s VAL 54 CO 0.65 0.01 0.14 -0.69 -0.31 0.00 0.00 175.10 174.90 1ddn s VAL 55 N 0.37 5.25 -0.75 1.32 1.01 0.40 -3.85 120.40 124.16 1ddn s VAL 55 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1ddn s VAL 55 Cb -0.04 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.13 1ddn s VAL 55 CO -0.02 0.42 0.76 -0.69 0.00 0.00 0.00 175.10 175.57 1ddn s VAL 56 N -1.20 5.29 0.99 2.92 1.01 -1.26 0.17 120.40 128.32 1ddn s VAL 56 Ca 0.22 -1.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.16 1ddn s VAL 56 Cb -0.12 -4.49 0.15 0.00 0.00 0.00 0.00 36.38 31.92 1ddn s VAL 56 CO 0.13 -1.08 0.87 0.00 0.00 0.00 0.00 175.10 175.02 1ddn n ALA 57 N 4.95 -1.87 -0.28 5.51 0.00 0.20 -4.78 120.51 124.25 1ddn n ALA 57 Ca 0.06 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.82 1ddn n ALA 57 Cb 0.45 -2.02 0.21 0.00 0.00 0.00 0.00 19.45 18.09 1ddn n ALA 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ddn h SER 58 N -2.00 0.40 0.00 0.00 0.02 -1.96 0.37 113.55 110.38 1ddn h SER 58 Ca -0.47 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ddn h SER 58 Cb 1.29 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1ddn h SER 58 CO 0.41 0.15 0.00 -0.90 -1.14 0.00 0.00 176.83 175.35 1ddn n ASP 59 N -4.94 0.00 0.00 3.07 5.68 -1.26 -4.69 116.55 114.41 1ddn n ASP 59 Ca 0.16 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1ddn n ASP 59 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1ddn n ASP 59 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ddn n ARG 60 N -0.61 -0.59 -1.91 0.11 1.74 0.13 -4.99 116.66 110.54 1ddn n ARG 60 Ca 0.01 0.15 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 1ddn n ARG 60 Cb 0.00 -3.71 0.01 0.00 -1.02 0.00 0.00 32.46 27.74 1ddn n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ddn s SER 61 N -2.19 6.05 -0.26 0.55 1.04 -1.21 -4.57 113.70 113.12 1ddn s SER 61 Ca 0.00 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.79 1ddn s SER 61 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1ddn s SER 61 CO 0.00 -0.99 0.48 -0.76 0.98 0.00 0.00 173.24 172.95 1ddn s LEU 62 N -5.00 4.05 -0.41 2.42 2.01 -0.47 -0.62 118.68 120.65 1ddn s LEU 62 Ca 0.57 0.46 -0.07 0.00 0.01 0.00 0.00 54.13 55.10 1ddn s LEU 62 Cb -0.12 -2.60 0.08 0.00 0.01 0.00 0.00 46.19 43.56 1ddn s LEU 62 CO 0.48 -0.26 0.22 -1.10 1.01 0.00 0.00 176.35 176.71 1ddn s GLN 63 N 2.25 2.45 0.13 1.70 -1.52 0.44 -4.87 119.66 120.24 1ddn s GLN 63 Ca 0.20 -1.53 -0.31 0.00 -1.95 0.00 0.00 55.36 51.76 1ddn s GLN 63 Cb -0.16 -3.68 -0.10 0.00 -0.22 0.00 0.00 33.01 28.85 1ddn s GLN 63 CO 0.09 -0.96 1.69 -1.64 -0.25 0.00 0.00 175.29 174.23 1ddn s MET 64 N 1.34 4.17 0.70 2.91 -1.94 -1.26 0.15 119.30 125.38 1ddn s MET 64 Ca 0.03 2.45 -0.11 0.00 -1.71 0.00 0.00 55.69 56.35 1ddn s MET 64 Cb -0.23 -3.41 0.01 0.00 2.01 0.00 0.00 34.83 33.21 1ddn s MET 64 CO 0.00 -0.74 1.09 0.95 -0.01 0.00 0.00 175.02 176.31 1ddn s THR 65 N 2.09 3.65 0.29 2.05 -4.23 -0.57 -4.66 115.64 114.26 1ddn s THR 65 Ca 0.75 0.54 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 1ddn s THR 65 Cb -0.44 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.23 1ddn s THR 65 CO 0.33 -0.70 1.64 1.55 -0.54 0.00 0.00 174.62 176.90 1ddn h PRO 66 N -0.65 0.18 0.97 3.99 0.13 -1.92 0.48 132.00 135.17 1ddn h PRO 66 Ca -0.45 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1ddn h PRO 66 Cb 1.24 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ddn h PRO 66 CO 0.63 0.12 -0.47 1.15 -0.23 0.00 0.00 178.00 179.20 1ddn h THR 67 N 0.18 0.00 -0.79 1.56 2.02 -1.87 0.33 112.91 114.34 1ddn h THR 67 Ca 0.56 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.88 1ddn h THR 67 Cb 1.14 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.42 1ddn h THR 67 CO -0.68 0.00 0.06 1.23 0.37 0.00 0.00 175.52 176.50 1ddn h GLY 68 N -1.35 0.98 0.74 2.16 0.00 -1.01 0.19 103.07 104.78 1ddn h GLY 68 Ca -0.13 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1ddn h GLY 68 CO 0.22 -0.31 -0.20 -0.09 0.00 0.00 0.00 176.54 176.16 1ddn h ARG 69 N 0.13 -0.41 -1.01 4.80 2.43 0.14 0.13 114.38 120.60 1ddn h ARG 69 Ca 0.45 0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.90 1ddn h ARG 69 Cb 0.83 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.35 1ddn h ARG 69 CO -0.67 -0.27 0.61 1.15 -1.51 0.00 0.00 179.97 179.28 1ddn h THR 70 N -0.42 0.54 0.63 0.20 2.02 0.15 0.01 112.91 116.04 1ddn h THR 70 Ca 0.01 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ddn h THR 70 Cb 0.41 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1ddn h THR 70 CO -0.06 0.10 -0.30 -0.07 0.37 0.00 0.00 175.52 175.56 1ddn h LEU 71 N 0.56 -0.72 -0.97 2.58 -0.00 -0.43 -2.64 115.31 113.69 1ddn h LEU 71 Ca 0.63 0.02 0.32 0.00 -0.00 0.00 0.00 57.88 58.85 1ddn h LEU 71 Cb 1.27 0.19 -0.17 0.00 -0.00 0.00 0.00 40.66 41.95 1ddn h LEU 71 CO -0.44 -0.35 0.33 0.00 -0.00 0.00 0.00 178.44 177.98 1ddn h ALA 72 N -1.29 1.63 -0.19 1.53 0.00 0.43 0.62 119.26 122.01 1ddn h ALA 72 Ca -0.09 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ddn h ALA 72 Cb 0.65 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ddn h ALA 72 CO 0.14 -0.66 -0.45 1.79 0.00 0.00 0.00 179.25 180.07 1ddn h THR 73 N 0.11 1.31 0.33 0.00 1.35 -1.05 -2.27 112.91 112.69 1ddn h THR 73 Ca 0.69 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1ddn h THR 73 Cb 1.59 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1ddn h THR 73 CO -0.76 0.51 -0.16 0.00 -0.25 0.00 0.00 175.52 174.86 1ddn h ALA 74 N 1.14 -0.44 -0.48 6.62 0.00 0.60 -0.98 119.26 125.72 1ddn h ALA 74 Ca 0.03 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ddn h ALA 74 Cb 0.94 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1ddn h ALA 74 CO 0.08 -0.60 -0.08 0.28 0.00 0.00 0.00 179.25 178.94 1ddn h VAL 75 N -0.75 0.56 -0.42 0.00 2.07 -1.33 0.58 116.25 116.95 1ddn h VAL 75 Ca -0.05 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1ddn h VAL 75 Cb 0.50 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1ddn h VAL 75 CO 0.07 0.01 -0.15 -0.03 0.02 0.00 0.00 177.57 177.49 1ddn h MET 76 N 0.03 -0.06 0.05 1.57 4.05 -1.32 1.04 114.93 120.30 1ddn h MET 76 Ca 0.23 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.68 1ddn h MET 76 Cb 0.36 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 1ddn h MET 76 CO -0.46 -0.04 -0.35 -0.09 0.23 0.00 0.00 176.91 176.20 1ddn h ARG 77 N -0.06 -0.52 -0.54 0.39 2.43 0.25 -0.10 114.38 116.24 1ddn h ARG 77 Ca 0.21 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1ddn h ARG 77 Cb 0.37 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1ddn h ARG 77 CO -0.47 -0.34 0.32 0.87 -1.51 0.00 0.00 179.97 178.84 1ddn h LYS 78 N -0.54 0.62 0.06 0.20 1.57 0.15 0.01 116.57 118.65 1ddn h LYS 78 Ca 0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ddn h LYS 78 Cb 0.60 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1ddn h LYS 78 CO -0.25 0.41 -0.31 1.25 -0.57 0.00 0.00 179.45 179.97 1ddn h HIS 79 N 0.64 -0.86 -0.12 -1.35 2.76 0.18 0.29 115.15 116.69 1ddn h HIS 79 Ca 0.22 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1ddn h HIS 79 Cb 0.03 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1ddn h HIS 79 CO -0.07 -0.41 0.04 0.00 -1.30 0.00 0.00 177.93 176.19 1ddn h ARG 80 N -0.50 0.10 -0.72 5.26 3.08 -0.74 -1.36 114.38 119.50 1ddn h ARG 80 Ca 0.04 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.16 1ddn h ARG 80 Cb 0.56 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 1ddn h ARG 80 CO -0.22 0.06 0.40 -0.07 -1.07 0.00 0.00 179.97 179.08 1ddn h LEU 81 N 0.10 0.60 -0.36 3.04 3.38 -0.59 -1.82 115.31 119.66 1ddn h LEU 81 Ca 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ddn h LEU 81 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ddn h LEU 81 CO -0.05 0.38 0.10 0.00 0.09 0.00 0.00 178.44 178.95 1ddn h ALA 82 N 1.38 0.47 -0.86 1.53 0.00 -0.13 -2.02 119.26 119.63 1ddn h ALA 82 Ca 0.33 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1ddn h ALA 82 Cb 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1ddn h ALA 82 CO -0.20 0.13 0.48 0.93 0.00 0.00 0.00 179.25 180.59 1ddn h GLU 83 N 0.42 0.73 0.59 0.00 5.08 -0.50 -1.01 114.58 119.89 1ddn h GLU 83 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ddn h GLU 83 Cb 0.28 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ddn h GLU 83 CO -0.00 0.48 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 1ddn h ARG 84 N 0.75 -0.76 -0.88 2.33 3.08 -1.13 -1.60 114.38 116.17 1ddn h ARG 84 Ca 0.44 0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.77 1ddn h ARG 84 Cb 0.50 0.17 -0.15 0.00 0.08 0.00 0.00 29.97 30.57 1ddn h ARG 84 CO -0.30 -0.47 0.10 1.25 -1.07 0.00 0.00 179.97 179.48 1ddn h LEU 85 N -1.14 -0.27 0.88 3.04 5.85 -1.10 0.78 115.31 123.36 1ddn h LEU 85 Ca -0.08 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ddn h LEU 85 Cb 0.65 0.36 0.01 0.00 0.37 0.00 0.00 40.66 42.05 1ddn h LEU 85 CO 0.13 -0.23 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.51 1ddn h LEU 86 N 0.11 -1.00 0.51 2.25 3.38 -1.16 0.32 115.31 119.71 1ddn h LEU 86 Ca 0.53 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 1ddn h LEU 86 Cb 1.04 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ddn h LEU 86 CO -0.75 -0.68 -0.27 0.74 0.09 0.00 0.00 178.44 177.57 1ddn h THR 87 N -1.24 0.00 0.05 0.22 2.02 -0.04 1.17 112.91 115.10 1ddn h THR 87 Ca -0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ddn h THR 87 Cb 0.91 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1ddn h THR 87 CO 0.20 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.47 1ddn h ASP 88 N -0.71 -0.15 0.00 4.18 5.19 0.38 -2.65 116.42 122.66 1ddn h ASP 88 Ca -0.07 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1ddn h ASP 88 Cb 0.56 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1ddn h ASP 88 CO 0.10 -0.07 -0.00 0.40 -3.12 0.00 0.00 179.24 176.55 1ddn h ILE 89 N -0.11 0.00 -0.00 0.35 2.04 -1.51 -3.34 117.51 114.94 1ddn h ILE 89 Ca -0.01 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ddn h ILE 89 Cb 0.09 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1ddn h ILE 89 CO -0.01 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.64 1ddn h ILE 90 N -0.54 0.00 -3.88 -0.67 1.08 -0.63 -3.45 117.51 109.43 1ddn h ILE 90 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 64.13 1ddn h ILE 90 Cb 0.00 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1ddn h ILE 90 CO 0.00 0.00 -0.46 0.61 -0.69 0.00 0.00 178.15 177.61 1ddn n GLY 91 N -1.12 -0.50 3.76 5.37 0.00 0.39 -4.94 105.19 108.15 1ddn n GLY 91 Ca -0.03 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -6.03 3.23 -0.14 0.99 2.96 -0.55 -4.89 118.68 114.25 1ddn s LEU 92 Ca 0.10 1.98 -0.32 0.00 -0.22 0.00 0.00 54.13 55.67 1ddn s LEU 92 Cb -0.05 -4.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.01 1ddn s LEU 92 CO 0.12 -1.90 2.05 -0.67 -1.32 0.00 0.00 176.35 174.63 1ddn n ASP 93 N -2.91 3.33 -0.18 3.68 2.03 -1.26 -4.61 116.55 116.63 1ddn n ASP 93 Ca 0.10 0.65 0.29 0.00 0.52 0.00 0.00 54.79 56.35 1ddn n ASP 93 Cb 0.52 -1.44 0.60 0.00 -0.72 0.00 0.00 41.12 40.08 1ddn n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1ddn h ILE 94 N 6.24 0.15 0.00 5.18 -0.00 -1.97 0.12 117.51 127.23 1ddn h ILE 94 Ca -0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.38 1ddn h ILE 94 Cb 1.26 0.24 -0.01 0.00 -0.00 0.00 0.00 36.82 38.31 1ddn h ILE 94 CO 0.96 0.00 -0.21 0.78 -0.00 0.00 0.00 178.15 179.68 1ddn h ASN 95 N 0.00 0.00 -0.02 2.19 2.35 -2.03 -3.21 115.58 114.86 1ddn h ASN 95 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1ddn h ASN 95 Cb 2.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.76 1ddn h ASN 95 CO -0.00 0.21 -0.01 0.29 -1.65 0.00 0.00 177.43 176.27 1ddn n LYS 96 N -3.21 1.37 -0.32 0.81 5.02 0.40 -4.55 118.16 117.68 1ddn n LYS 96 Ca 0.02 -1.49 -0.03 0.00 -2.02 0.00 0.00 58.31 54.78 1ddn n LYS 96 Cb 0.54 -1.32 0.11 0.00 -0.02 0.00 0.00 35.03 34.34 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 3.29 1.25 -0.22 -0.18 2.07 -1.50 -2.76 116.25 118.20 1ddn h VAL 97 Ca 0.00 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1ddn h VAL 97 Cb 0.70 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ddn h VAL 97 CO 0.00 0.28 0.01 -0.74 0.02 0.00 0.00 177.57 177.14 1ddn h HIS 98 N 1.23 0.42 0.00 1.57 -0.00 -1.80 -0.64 115.15 115.94 1ddn h HIS 98 Ca 0.31 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1ddn h HIS 98 Cb 0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1ddn h HIS 98 CO 0.01 0.56 0.00 -0.25 -0.00 0.00 0.00 177.93 178.25 1ddn n ASP 99 N -4.68 0.23 -0.09 3.26 9.92 -1.18 0.61 116.55 124.61 1ddn n ASP 99 Ca -0.04 0.55 -0.22 0.00 -0.53 0.00 0.00 54.79 54.55 1ddn n ASP 99 Cb 0.23 -0.60 -0.12 0.00 -0.64 0.00 0.00 41.12 39.99 1ddn n ASP 99 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ddn n GLU 100 N -1.75 0.59 -0.30 -1.24 -0.58 -1.05 -3.98 120.64 112.33 1ddn n GLU 100 Ca 0.03 0.52 0.02 0.00 -0.42 0.00 0.00 57.16 57.31 1ddn n GLU 100 Cb 0.19 -1.73 0.16 0.00 -0.57 0.00 0.00 31.44 29.49 1ddn n GLU 100 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddn h ALA 101 N -0.46 1.19 -0.25 0.62 0.00 -0.77 0.23 119.26 119.82 1ddn h ALA 101 Ca -0.38 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ddn h ALA 101 Cb 1.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ddn h ALA 101 CO -0.19 0.19 0.53 0.22 0.00 0.00 0.00 179.25 180.00 1ddn h ASP 102 N 0.89 0.00 0.00 0.00 1.82 0.04 -1.74 116.42 117.43 1ddn h ASP 102 Ca 0.39 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.60 1ddn h ASP 102 Cb 0.27 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.21 1ddn h ASP 102 CO -0.21 0.00 -2.48 0.54 -1.61 0.00 0.00 179.24 175.48 1ddn n ARG 103 N -3.18 0.59 0.26 0.28 1.74 0.68 -4.45 116.66 112.58 1ddn n ARG 103 Ca 0.04 0.21 0.17 0.00 -0.77 0.00 0.00 57.85 57.50 1ddn n ARG 103 Cb 0.64 -1.48 0.90 0.00 -1.02 0.00 0.00 32.46 31.50 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 -0.59 0.00 -0.67 -1.55 4.06 -0.59 -2.77 115.95 113.84 1ddn h TRP 104 Ca -0.64 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.31 1ddn h TRP 104 Cb 1.70 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.83 1ddn h TRP 104 CO -0.04 0.00 0.43 1.05 -3.56 0.00 0.00 178.44 176.31 1ddn h GLU 105 N 0.00 0.89 0.00 0.49 4.11 -1.56 0.21 114.58 118.73 1ddn h GLU 105 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ddn h GLU 105 Cb 0.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ddn h GLU 105 CO -0.00 0.61 -0.20 0.45 0.07 0.00 0.00 179.01 179.93 1ddn h HIS 106 N 0.91 0.00 0.00 2.06 3.86 -1.76 -3.32 115.15 116.90 1ddn h HIS 106 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ddn h HIS 106 Cb -0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1ddn h HIS 106 CO 0.00 0.00 -0.67 1.55 0.86 0.00 0.00 177.93 179.67 1ddn n VAL 107 N -2.55 0.00 -2.84 2.45 3.14 -0.81 -4.98 118.33 112.75 1ddn n VAL 107 Ca 0.04 -0.21 -0.40 0.00 -2.96 0.00 0.00 64.34 60.82 1ddn n VAL 107 Cb 0.48 0.95 -0.06 0.00 -1.06 0.00 0.00 33.84 34.14 1ddn n VAL 107 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1ddn s MET 108 N -2.25 4.74 0.52 1.45 0.00 0.69 -5.06 119.30 119.39 1ddn s MET 108 Ca 0.04 1.36 0.00 0.00 0.00 0.00 0.00 55.69 57.09 1ddn s MET 108 Cb 0.10 -3.25 0.02 0.00 0.00 0.00 0.00 34.83 31.70 1ddn s MET 108 CO 0.53 0.53 0.75 -1.54 0.00 0.00 0.00 175.02 175.28 1ddn s SER 109 N -1.20 5.51 0.16 1.11 1.04 -1.26 -4.96 113.70 114.10 1ddn s SER 109 Ca 0.40 0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.90 1ddn s SER 109 Cb -0.25 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.67 1ddn s SER 109 CO 0.29 -0.97 1.56 0.44 0.98 0.00 0.00 173.24 175.55 1ddn h ASP 110 N 0.17 0.98 -0.28 7.02 3.32 -1.97 0.85 116.42 126.50 1ddn h ASP 110 Ca -0.44 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 56.31 1ddn h ASP 110 Cb 1.28 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 1ddn h ASP 110 CO 0.55 1.12 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.94 1ddn h GLU 111 N 0.82 -0.14 -0.33 3.56 4.22 -1.98 0.94 114.58 121.67 1ddn h GLU 111 Ca 0.12 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.51 1ddn h GLU 111 Cb 0.70 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1ddn h GLU 111 CO 0.05 -0.09 -0.05 0.28 -2.18 0.00 0.00 179.01 177.02 1ddn h VAL 112 N -0.14 1.22 0.07 0.32 2.07 -1.92 -0.26 116.25 117.60 1ddn h VAL 112 Ca 0.15 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ddn h VAL 112 Cb 0.37 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ddn h VAL 112 CO -0.37 0.30 -0.04 -0.08 0.02 0.00 0.00 177.57 177.40 1ddn h GLU 113 N 0.51 -0.10 -0.96 1.57 4.81 0.18 0.14 114.58 120.73 1ddn h GLU 113 Ca 0.10 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.59 1ddn h GLU 113 Cb 0.41 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1ddn h GLU 113 CO 0.02 -0.07 0.66 0.00 -0.73 0.00 0.00 179.01 178.89 1ddn h ARG 114 N -0.11 0.22 0.03 1.92 2.47 0.87 -0.83 114.38 118.95 1ddn h ARG 114 Ca -0.01 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ddn h ARG 114 Cb 0.08 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1ddn h ARG 114 CO 0.01 0.14 -0.02 0.00 0.56 0.00 0.00 179.97 180.67 1ddn h ARG 115 N 0.22 -0.04 0.00 0.04 2.47 -0.81 -3.09 114.38 113.17 1ddn h ARG 115 Ca 0.49 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.19 1ddn h ARG 115 Cb 1.54 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.87 1ddn h ARG 115 CO -0.13 0.44 -0.11 1.25 0.56 0.00 0.00 179.97 181.98 1ddn h LEU 116 N -0.55 0.00 -1.45 3.04 5.85 0.23 -1.58 115.31 120.85 1ddn h LEU 116 Ca -0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1ddn h LEU 116 Cb 0.50 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1ddn h LEU 116 CO 0.01 0.11 0.52 1.62 -0.34 0.00 0.00 178.44 180.36 1ddn h VAL 117 N 0.00 0.84 0.00 1.05 3.04 -1.10 -0.49 116.25 119.59 1ddn h VAL 117 Ca -0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1ddn h VAL 117 Cb 0.26 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1ddn h VAL 117 CO 0.01 0.10 0.00 0.29 -1.01 0.00 0.00 177.57 176.97 1ddn n LYS 118 N -4.51 0.00 -0.25 4.17 5.02 -0.67 -4.57 118.16 117.34 1ddn n LYS 118 Ca 0.15 0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1ddn n LYS 118 Cb 0.47 -0.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.96 1ddn n LYS 118 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ddn n VAL 119 N -1.81 -0.37 0.00 -0.18 0.31 -0.73 -5.14 118.33 110.40 1ddn n VAL 119 Ca 0.00 1.50 0.00 0.00 -0.01 0.00 0.00 64.34 65.83 1ddn n VAL 119 Cb 0.00 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1ddn n VAL 119 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40