#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 2.19 0.00 -2.67 4.32 -1.26 -4.94 117.00 114.64 1ddn n LEU 4 Ca 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 56.01 55.09 1ddn n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ddn n LEU 4 CO 0.00 0.39 0.00 0.52 -1.22 0.00 0.00 177.39 177.08 1ddn n VAL 5 N 0.55 0.00 -3.18 4.08 0.31 -1.26 -4.30 118.33 114.54 1ddn n VAL 5 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.46 1ddn n VAL 5 Cb 0.42 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.24 0.01 4.52 -1.08 -1.26 -5.09 116.67 112.52 1ddn s ASP 6 Ca 0.00 0.83 -0.05 0.00 -0.52 0.00 0.00 52.55 52.80 1ddn s ASP 6 Cb 0.00 2.06 -0.03 0.00 -1.46 0.00 0.00 42.92 43.49 1ddn s ASP 6 CO 0.00 -0.23 0.92 0.74 0.52 0.00 0.00 175.17 177.12 1ddn h THR 7 N 5.90 0.00 -0.70 1.71 2.02 -1.99 -2.81 112.91 117.04 1ddn h THR 7 Ca -0.21 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.11 1ddn h THR 7 Cb 1.16 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.44 1ddn h THR 7 CO 0.20 0.00 -0.07 0.41 0.37 0.00 0.00 175.52 176.43 1ddn n THR 8 N -2.60 -0.29 -0.06 3.16 -1.04 -1.26 0.23 114.28 112.41 1ddn n THR 8 Ca -0.02 1.57 -0.11 0.00 -2.04 0.00 0.00 64.05 63.44 1ddn n THR 8 Cb 0.08 -2.24 -0.05 0.00 -1.82 0.00 0.00 70.33 66.30 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 0.34 0.00 -2.82 5.08 -1.95 -0.86 114.58 114.37 1ddn h GLU 9 Ca 0.38 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ddn h GLU 9 Cb 0.71 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ddn h GLU 9 CO -0.69 0.50 0.00 -1.33 -1.00 0.00 0.00 179.01 176.49 1ddn n MET 10 N -4.73 0.15 -0.07 2.33 2.81 0.14 0.24 117.12 117.99 1ddn n MET 10 Ca -0.04 0.49 -0.17 0.00 -1.81 0.00 0.00 57.70 56.17 1ddn n MET 10 Cb 0.20 -1.85 -0.13 0.00 -0.71 0.00 0.00 33.22 30.73 1ddn n MET 10 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1ddn h TYR 11 N 0.00 0.07 0.79 2.03 -1.99 -0.37 -2.63 116.97 114.87 1ddn h TYR 11 Ca 0.00 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1ddn h TYR 11 Cb 0.20 -0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.94 1ddn h TYR 11 CO 0.00 1.20 -0.38 -0.07 -0.00 0.00 0.00 178.16 178.91 1ddn h LEU 12 N -0.91 -0.91 -0.87 3.88 3.38 -0.56 0.15 115.31 119.47 1ddn h LEU 12 Ca -0.13 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.06 1ddn h LEU 12 Cb 1.18 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 42.06 1ddn h LEU 12 CO -0.05 -0.65 0.39 -0.09 0.09 0.00 0.00 178.44 178.14 1ddn h ARG 13 N -1.07 0.45 -0.25 1.13 2.43 -0.37 -0.42 114.38 116.28 1ddn h ARG 13 Ca -0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1ddn h ARG 13 Cb 0.82 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1ddn h ARG 13 CO 0.18 0.30 0.08 1.15 -1.51 0.00 0.00 179.97 180.16 1ddn h THR 14 N 0.46 1.19 -0.07 0.20 2.02 -1.05 -1.63 112.91 114.05 1ddn h THR 14 Ca 0.52 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1ddn h THR 14 Cb 0.91 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ddn h THR 14 CO -0.47 0.20 0.05 0.40 0.37 0.00 0.00 175.52 176.07 1ddn h ILE 15 N 0.24 0.99 0.28 3.11 2.04 0.85 -0.64 117.51 124.38 1ddn h ILE 15 Ca 0.08 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1ddn h ILE 15 Cb 0.24 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ddn h ILE 15 CO -0.00 0.01 -0.13 0.22 0.00 0.00 0.00 178.15 178.24 1ddn h TYR 16 N 0.05 -0.34 -0.82 1.37 5.03 -0.82 -2.61 116.97 118.82 1ddn h TYR 16 Ca 0.03 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.48 1ddn h TYR 16 Cb 0.05 0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.35 1ddn h TYR 16 CO -0.00 0.01 0.40 0.93 -1.32 0.00 0.00 178.16 178.18 1ddn h GLU 17 N -0.90 0.55 -0.36 1.82 5.08 -0.94 0.71 114.58 120.54 1ddn h GLU 17 Ca -0.04 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1ddn h GLU 17 Cb 0.51 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1ddn h GLU 17 CO 0.06 0.37 0.07 -0.07 -1.00 0.00 0.00 179.01 178.44 1ddn h LEU 18 N 0.57 0.02 -0.44 1.33 4.07 -1.13 -1.43 115.31 118.29 1ddn h LEU 18 Ca 0.45 0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.51 1ddn h LEU 18 Cb 0.65 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 1ddn h LEU 18 CO -0.37 0.05 0.19 -0.33 -1.08 0.00 0.00 178.44 176.90 1ddn h GLU 19 N 0.20 0.38 -0.80 1.13 5.08 -0.51 -1.67 114.58 118.39 1ddn h GLU 19 Ca 0.17 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 1ddn h GLU 19 Cb 0.20 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1ddn h GLU 19 CO -0.23 0.25 0.52 0.93 -1.00 0.00 0.00 179.01 179.49 1ddn h GLU 20 N 0.39 0.59 -0.04 2.33 5.08 -0.22 0.18 114.58 122.88 1ddn h GLU 20 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ddn h GLU 20 Cb 0.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ddn h GLU 20 CO -0.17 0.39 0.00 0.39 -1.00 0.00 0.00 179.01 178.62 1ddn n GLU 21 N -4.51 1.20 -0.93 2.33 1.02 -0.67 -4.86 120.64 114.21 1ddn n GLU 21 Ca 0.15 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1ddn n GLU 21 Cb 0.43 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.88 0.33 3.87 0.62 0.00 0.62 -4.98 105.19 106.54 1ddn n GLY 22 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.82 4.38 -0.26 1.61 1.01 -0.97 -5.01 120.40 119.33 1ddn s VAL 23 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 1ddn s VAL 23 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ddn s VAL 23 CO 0.00 -1.00 0.38 -0.89 0.00 0.00 0.00 175.10 173.59 1ddn s THR 24 N -3.22 5.17 -0.38 3.92 2.01 -1.26 -4.30 115.64 117.58 1ddn s THR 24 Ca 0.56 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 1ddn s THR 24 Cb -0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1ddn s THR 24 CO 0.53 0.16 1.84 -2.16 -0.69 0.00 0.00 174.62 174.31 1ddn s PRO 25 N 2.02 3.17 0.06 4.92 0.04 -1.26 -4.89 135.00 139.06 1ddn s PRO 25 Ca 0.15 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1ddn s PRO 25 Cb -0.16 -4.25 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1ddn s PRO 25 CO 0.10 -2.06 -0.24 -0.51 0.04 0.00 0.00 177.00 174.33 1ddn s LEU 26 N 7.48 2.19 0.46 -3.56 1.43 -1.26 -1.25 118.68 124.17 1ddn s LEU 26 Ca 0.79 -0.59 0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1ddn s LEU 26 Cb -0.21 -1.11 1.38 0.00 0.03 0.00 0.00 46.19 46.28 1ddn s LEU 26 CO 0.31 0.19 1.70 0.03 0.23 0.00 0.00 176.35 178.82 1ddn h ARG 27 N 4.67 0.15 0.00 1.70 3.08 -1.94 0.99 114.38 123.04 1ddn h ARG 27 Ca -0.45 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1ddn h ARG 27 Cb 1.16 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1ddn h ARG 27 CO 0.43 0.10 -0.04 0.00 -1.07 0.00 0.00 179.97 179.39 1ddn h ALA 28 N 1.51 1.52 0.00 0.04 0.00 -1.95 -1.66 119.26 118.72 1ddn h ALA 28 Ca 0.70 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.46 1ddn h ALA 28 Cb 2.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 1ddn h ALA 28 CO -0.25 0.05 -0.71 0.00 0.00 0.00 0.00 179.25 178.34 1ddn h ARG 29 N 0.00 0.00 0.03 0.00 2.47 0.69 -3.07 114.38 114.50 1ddn h ARG 29 Ca -0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1ddn h ARG 29 Cb 0.11 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1ddn h ARG 29 CO 0.01 0.42 -0.63 0.82 0.56 0.00 0.00 179.97 181.14 1ddn h ILE 30 N 0.00 1.45 -0.99 2.04 2.04 -1.24 -1.80 117.51 119.00 1ddn h ILE 30 Ca -0.04 -2.16 0.18 0.00 1.00 0.00 0.00 64.86 63.83 1ddn h ILE 30 Cb 1.40 2.72 -0.10 0.00 -0.74 0.00 0.00 36.82 40.11 1ddn h ILE 30 CO 0.06 0.62 0.61 0.00 0.00 0.00 0.00 178.15 179.45 1ddn h ALA 31 N 0.27 1.72 0.34 1.87 0.00 -1.48 0.49 119.26 122.47 1ddn h ALA 31 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ddn h ALA 31 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ddn h ALA 31 CO 0.12 -0.05 -0.17 0.93 0.00 0.00 0.00 179.25 180.09 1ddn h GLU 32 N 0.76 -0.44 -0.93 0.00 5.08 -1.44 0.19 114.58 117.81 1ddn h GLU 32 Ca 0.54 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1ddn h GLU 32 Cb 0.85 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1ddn h GLU 32 CO -0.32 -0.30 0.61 0.00 -1.00 0.00 0.00 179.01 178.00 1ddn h ARG 33 N -0.53 1.22 -0.01 2.33 3.08 -0.90 -2.26 114.38 117.31 1ddn h ARG 33 Ca -0.05 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ddn h ARG 33 Cb 0.35 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ddn h ARG 33 CO 0.08 0.80 -0.12 1.28 -1.07 0.00 0.00 179.97 180.95 1ddn n LEU 34 N -4.44 0.87 -3.59 3.04 4.77 0.17 -4.95 117.00 112.86 1ddn n LEU 34 Ca 0.11 -0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.66 1ddn n LEU 34 Cb 0.02 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1ddn n LEU 34 CO 0.37 0.15 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.93 1ddn n GLU 35 N -0.57 -4.17 -4.36 3.23 1.02 0.45 -5.00 120.64 111.24 1ddn n GLU 35 Ca 0.16 0.67 -0.22 0.00 -0.02 0.00 0.00 57.16 57.75 1ddn n GLU 35 Cb 0.30 -5.22 -0.11 0.00 -0.02 0.00 0.00 31.44 26.40 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 -5.64 1.36 0.72 3.49 -0.21 0.10 -5.03 119.66 114.45 1ddn s GLN 36 Ca 0.14 -1.52 -0.13 0.00 0.02 0.00 0.00 55.36 53.87 1ddn s GLN 36 Cb -0.03 -1.37 0.03 0.00 1.00 0.00 0.00 33.01 32.63 1ddn s GLN 36 CO 0.80 0.27 1.12 -1.54 -2.12 0.00 0.00 175.29 173.81 1ddn s SER 37 N -2.96 4.66 0.10 5.90 1.04 -1.26 -4.59 113.70 116.58 1ddn s SER 37 Ca 0.20 2.02 -0.19 0.00 0.48 0.00 0.00 55.95 58.46 1ddn s SER 37 Cb -0.04 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 1ddn s SER 37 CO 0.08 -1.94 1.62 1.23 0.98 0.00 0.00 173.24 175.22 1ddn h GLY 38 N -0.45 0.39 0.99 7.32 0.00 -1.97 -2.53 103.07 106.82 1ddn h GLY 38 Ca -0.46 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 46.69 1ddn h GLY 38 CO 0.52 0.21 0.57 -2.55 0.00 0.00 0.00 176.54 175.29 1ddn h PRO 39 N 0.23 1.02 0.55 4.80 0.11 -2.00 -2.00 132.00 134.71 1ddn h PRO 39 Ca 0.08 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1ddn h PRO 39 Cb 0.21 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1ddn h PRO 39 CO -0.00 0.67 -0.43 1.15 -0.21 0.00 0.00 178.00 179.18 1ddn h THR 40 N 1.05 0.13 -0.90 -1.15 2.02 -1.88 -0.59 112.91 111.59 1ddn h THR 40 Ca 0.35 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.73 1ddn h THR 40 Cb 0.08 0.13 -0.11 0.00 -1.74 0.00 0.00 68.15 66.51 1ddn h THR 40 CO -0.11 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.80 1ddn h VAL 41 N -0.96 0.57 -0.49 3.16 2.07 -1.03 0.69 116.25 120.27 1ddn h VAL 41 Ca -0.06 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 1ddn h VAL 41 Cb 0.81 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ddn h VAL 41 CO 0.00 0.09 -0.17 0.28 0.02 0.00 0.00 177.57 177.80 1ddn h SER 42 N 0.51 0.96 -0.36 0.57 0.02 -0.97 -0.27 113.55 114.02 1ddn h SER 42 Ca 0.55 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1ddn h SER 42 Cb 0.96 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1ddn h SER 42 CO -0.47 1.11 0.15 1.56 -1.14 0.00 0.00 176.83 178.04 1ddn h GLN 43 N 0.83 0.54 -0.09 3.45 4.20 0.68 -0.40 115.11 124.32 1ddn h GLN 43 Ca 0.12 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1ddn h GLN 43 Cb 0.72 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ddn h GLN 43 CO 0.06 0.52 -0.21 1.15 -0.67 0.00 0.00 178.83 179.68 1ddn h THR 44 N 0.44 1.40 -0.74 -0.54 2.02 -1.08 -2.29 112.91 112.11 1ddn h THR 44 Ca 0.12 -1.52 0.10 0.00 0.77 0.00 0.00 66.41 65.88 1ddn h THR 44 Cb 0.18 2.17 -0.08 0.00 -1.74 0.00 0.00 68.15 68.68 1ddn h THR 44 CO -0.01 0.43 0.38 0.58 0.37 0.00 0.00 175.52 177.27 1ddn h VAL 45 N -0.16 0.83 -0.59 3.16 2.07 -1.00 0.67 116.25 121.23 1ddn h VAL 45 Ca -0.00 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1ddn h VAL 45 Cb 0.80 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1ddn h VAL 45 CO 0.05 0.11 -0.05 0.00 0.02 0.00 0.00 177.57 177.69 1ddn h ALA 46 N 1.45 0.51 -0.44 1.67 0.00 -0.90 0.87 119.26 122.43 1ddn h ALA 46 Ca 0.37 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.43 1ddn h ALA 46 Cb 0.41 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ddn h ALA 46 CO -0.28 -0.41 0.05 -0.09 0.00 0.00 0.00 179.25 178.52 1ddn h ARG 47 N 0.07 0.74 -0.11 0.00 2.43 -0.01 -1.14 114.38 116.37 1ddn h ARG 47 Ca 0.30 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1ddn h ARG 47 Cb 0.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1ddn h ARG 47 CO -0.55 0.78 -0.11 0.52 -1.51 0.00 0.00 179.97 179.10 1ddn h MET 48 N 0.59 0.16 0.00 0.20 2.86 0.22 0.01 114.93 118.97 1ddn h MET 48 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ddn h MET 48 Cb 0.41 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ddn h MET 48 CO 0.01 0.29 0.00 1.49 1.06 0.00 0.00 176.91 179.76 1ddn h GLU 49 N 0.16 0.00 0.14 1.72 4.81 0.11 0.32 114.58 121.83 1ddn h GLU 49 Ca 0.03 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.97 1ddn h GLU 49 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ddn h GLU 49 CO 0.02 0.00 -1.40 -0.09 -0.73 0.00 0.00 179.01 176.81 1ddn h ARG 50 N 0.00 0.29 -0.07 1.92 2.43 0.22 -3.21 114.38 115.96 1ddn h ARG 50 Ca 0.00 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1ddn h ARG 50 Cb 0.94 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1ddn h ARG 50 CO 0.00 1.20 0.00 -0.25 -1.51 0.00 0.00 179.97 179.41 1ddn n ASP 51 N -3.52 1.04 -0.91 -3.80 8.00 -0.45 -4.93 116.55 111.98 1ddn n ASP 51 Ca -0.13 -1.50 -0.07 0.00 0.71 0.00 0.00 54.79 53.80 1ddn n ASP 51 Cb 1.04 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 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 1.05 0.16 0.07 0.44 0.00 -1.08 -4.95 105.19 100.88 1ddn n GLY 52 Ca 0.17 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.16 0.42 -4.04 0.99 4.77 0.08 -4.42 117.00 113.64 1ddn n LEU 53 Ca -0.07 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1ddn n LEU 53 Cb 0.55 0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1ddn n LEU 53 CO 0.12 0.07 0.05 0.54 -1.33 0.00 0.00 177.39 176.83 1ddn s VAL 54 N -3.17 0.01 -0.04 4.08 0.11 -1.19 -1.80 120.40 118.40 1ddn s VAL 54 Ca -0.05 -1.54 -0.03 0.00 -2.93 0.00 0.00 61.98 57.42 1ddn s VAL 54 Cb 0.10 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 1ddn s VAL 54 CO 0.84 -0.05 0.10 -0.69 -3.33 0.00 0.00 175.10 171.98 1ddn s VAL 55 N -4.04 -0.01 -0.32 2.04 1.01 0.11 -4.27 120.40 114.92 1ddn s VAL 55 Ca 0.25 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1ddn s VAL 55 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 1ddn s VAL 55 CO 0.08 0.02 0.51 -0.69 0.00 0.00 0.00 175.10 175.02 1ddn s VAL 56 N 0.31 5.04 0.65 2.92 1.01 -1.26 0.16 120.40 129.23 1ddn s VAL 56 Ca -0.02 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1ddn s VAL 56 Cb -0.03 -3.90 0.17 0.00 0.00 0.00 0.00 36.38 32.61 1ddn s VAL 56 CO -0.01 -0.09 0.45 0.00 0.00 0.00 0.00 175.10 175.45 1ddn n ALA 57 N 5.66 -2.15 1.50 5.51 0.00 0.33 -4.90 120.51 126.47 1ddn n ALA 57 Ca -0.05 -0.75 0.14 0.00 0.00 0.00 0.00 53.44 52.79 1ddn n ALA 57 Cb 0.49 -0.06 0.53 0.00 0.00 0.00 0.00 19.45 20.42 1ddn n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddn n SER 58 N -4.16 1.41 -0.59 0.00 2.88 -1.26 -3.21 113.62 108.69 1ddn n SER 58 Ca 0.07 -1.44 0.05 0.00 -1.33 0.00 0.00 58.87 56.22 1ddn n SER 58 Cb 0.28 0.01 0.20 0.00 -0.75 0.00 0.00 64.21 63.95 1ddn n SER 58 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ddn n ASP 59 N 0.08 1.96 0.00 -3.46 5.75 -1.26 -4.94 116.55 114.67 1ddn n ASP 59 Ca 0.19 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.23 1ddn n ASP 59 Cb 0.34 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.16 0.00 -2.00 0.11 1.74 -1.20 -4.93 116.66 109.23 1ddn n ARG 60 Ca 0.20 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 1ddn n ARG 60 Cb 0.73 -3.93 -0.02 0.00 -1.02 0.00 0.00 32.46 28.23 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 -2.16 6.63 -0.34 0.55 1.04 -1.26 -4.44 113.70 113.72 1ddn s SER 61 Ca 0.00 2.78 -0.23 0.00 0.48 0.00 0.00 55.95 58.98 1ddn s SER 61 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1ddn s SER 61 CO 0.00 -0.67 0.76 -0.76 0.98 0.00 0.00 173.24 173.55 1ddn s LEU 62 N -1.43 4.12 -0.41 2.42 1.43 -0.38 -0.51 118.68 123.91 1ddn s LEU 62 Ca 0.53 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1ddn s LEU 62 Cb -0.42 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 42.85 1ddn s LEU 62 CO 0.52 -0.66 0.27 -1.10 0.23 0.00 0.00 176.35 175.61 1ddn s GLN 63 N 2.98 2.72 1.01 1.70 -1.52 0.12 -4.85 119.66 121.83 1ddn s GLN 63 Ca 0.31 -1.34 -0.11 0.00 -1.95 0.00 0.00 55.36 52.27 1ddn s GLN 63 Cb -0.14 -3.82 0.18 0.00 -0.22 0.00 0.00 33.01 29.01 1ddn s GLN 63 CO 0.15 -0.89 1.00 -1.33 -0.25 0.00 0.00 175.29 173.96 1ddn n MET 64 N 4.99 -1.11 -4.03 2.91 2.81 -1.26 0.04 117.12 121.46 1ddn n MET 64 Ca -0.11 -0.27 -0.22 0.00 -1.81 0.00 0.00 57.70 55.29 1ddn n MET 64 Cb 0.44 -2.24 -0.05 0.00 -0.71 0.00 0.00 33.22 30.66 1ddn n MET 64 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ddn s THR 65 N -2.53 3.64 0.48 2.03 -4.23 -0.75 -4.72 115.64 109.56 1ddn s THR 65 Ca 0.66 -1.54 0.21 0.00 -1.18 0.00 0.00 61.69 59.85 1ddn s THR 65 Cb -0.23 -3.14 0.39 0.00 1.34 0.00 0.00 72.50 70.85 1ddn s THR 65 CO 0.61 -0.25 1.94 -0.65 -0.54 0.00 0.00 174.62 175.73 1ddn h PRO 66 N 1.48 0.20 -0.13 3.99 0.11 -1.90 1.65 132.00 137.39 1ddn h PRO 66 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1ddn h PRO 66 Cb 1.25 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ddn h PRO 66 CO 0.60 0.13 -0.52 1.15 -0.21 0.00 0.00 178.00 179.16 1ddn h THR 67 N 0.20 1.34 0.08 -1.15 2.02 -1.89 -2.69 112.91 110.83 1ddn h THR 67 Ca 0.34 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.72 1ddn h THR 67 Cb 1.04 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1ddn h THR 67 CO -0.06 0.55 -0.04 1.23 0.37 0.00 0.00 175.52 177.56 1ddn h GLY 68 N 0.23 -0.11 0.10 2.16 0.00 -0.30 -2.99 103.07 102.16 1ddn h GLY 68 Ca -0.03 0.04 0.21 0.00 0.00 0.00 0.00 47.33 47.56 1ddn h GLY 68 CO 0.11 -0.04 0.62 -0.09 0.00 0.00 0.00 176.54 177.14 1ddn h ARG 69 N -0.22 0.59 0.41 4.80 2.43 0.22 -1.09 114.38 121.52 1ddn h ARG 69 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ddn h ARG 69 Cb 0.18 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ddn h ARG 69 CO 0.02 0.39 -0.20 1.15 -1.51 0.00 0.00 179.97 179.82 1ddn h THR 70 N 0.60 0.58 0.00 0.20 2.02 -1.32 -0.11 112.91 114.88 1ddn h THR 70 Ca 0.56 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 1ddn h THR 70 Cb 1.10 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1ddn h THR 70 CO -0.32 0.06 -0.22 0.17 0.37 0.00 0.00 175.52 175.58 1ddn h LEU 71 N -0.75 0.00 -0.35 2.58 -0.00 -1.54 0.30 115.31 115.55 1ddn h LEU 71 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1ddn h LEU 71 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 1ddn h LEU 71 CO 0.09 0.22 0.15 0.00 -0.00 0.00 0.00 178.44 178.90 1ddn h ALA 72 N 1.78 0.42 -0.09 0.17 0.00 -0.93 0.10 119.26 120.71 1ddn h ALA 72 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ddn h ALA 72 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ddn h ALA 72 CO 0.03 -0.24 -0.10 1.15 0.00 0.00 0.00 179.25 180.09 1ddn h THR 73 N 0.31 1.37 -0.71 0.00 2.02 0.42 -2.80 112.91 113.52 1ddn h THR 73 Ca 0.15 -1.29 0.12 0.00 0.77 0.00 0.00 66.41 66.17 1ddn h THR 73 Cb 0.10 2.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.44 1ddn h THR 73 CO -0.13 0.36 0.29 0.00 0.37 0.00 0.00 175.52 176.41 1ddn h ALA 74 N 0.56 0.97 -0.32 6.16 0.00 -0.10 0.25 119.26 126.78 1ddn h ALA 74 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ddn h ALA 74 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ddn h ALA 74 CO 0.03 -0.17 0.12 0.28 0.00 0.00 0.00 179.25 179.50 1ddn h VAL 75 N 0.47 1.19 -0.12 0.00 2.07 -0.83 0.19 116.25 119.22 1ddn h VAL 75 Ca 0.37 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1ddn h VAL 75 Cb 0.51 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1ddn h VAL 75 CO -0.35 0.20 -0.24 -0.03 0.02 0.00 0.00 177.57 177.17 1ddn h MET 76 N 0.37 -0.30 -0.33 1.57 4.05 -0.93 0.25 114.93 119.60 1ddn h MET 76 Ca 0.11 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.60 1ddn h MET 76 Cb 0.20 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.02 1ddn h MET 76 CO -0.01 -0.20 0.04 -0.09 0.23 0.00 0.00 176.91 176.89 1ddn h ARG 77 N -0.31 0.15 0.00 0.39 2.43 -0.26 -1.01 114.38 115.76 1ddn h ARG 77 Ca 0.10 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1ddn h ARG 77 Cb 0.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1ddn h ARG 77 CO -0.30 0.10 -0.37 0.87 -1.51 0.00 0.00 179.97 178.76 1ddn h LYS 78 N 0.15 0.00 -0.53 0.20 1.57 -0.71 -2.59 116.57 114.66 1ddn h LYS 78 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1ddn h LYS 78 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ddn h LYS 78 CO -0.23 0.37 -0.10 1.25 -0.57 0.00 0.00 179.45 180.18 1ddn h HIS 79 N 0.00 1.12 -0.25 -1.35 2.76 0.54 -1.91 115.15 116.07 1ddn h HIS 79 Ca -0.00 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 57.88 1ddn h HIS 79 Cb 0.80 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 1ddn h HIS 79 CO 0.00 1.04 -0.08 0.00 -1.30 0.00 0.00 177.93 177.60 1ddn h ARG 80 N 0.88 0.49 -0.32 5.26 3.08 -0.92 -2.91 114.38 119.94 1ddn h ARG 80 Ca 0.14 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ddn h ARG 80 Cb 0.66 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1ddn h ARG 80 CO 0.05 0.73 0.19 -0.07 -1.07 0.00 0.00 179.97 179.80 1ddn h LEU 81 N 0.23 0.38 -1.18 3.04 3.38 -1.45 -1.83 115.31 117.88 1ddn h LEU 81 Ca 0.06 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1ddn h LEU 81 Cb 0.56 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1ddn h LEU 81 CO 0.03 0.32 0.59 0.00 0.09 0.00 0.00 178.44 179.47 1ddn h ALA 82 N 1.08 1.68 -0.37 1.53 0.00 -1.34 0.55 119.26 122.39 1ddn h ALA 82 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ddn h ALA 82 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ddn h ALA 82 CO -0.02 0.11 -0.05 0.93 0.00 0.00 0.00 179.25 180.21 1ddn h GLU 83 N 0.85 0.68 0.69 0.00 5.08 -1.24 0.81 114.58 121.45 1ddn h GLU 83 Ca 0.44 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1ddn h GLU 83 Cb 0.53 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1ddn h GLU 83 CO -0.21 0.82 -0.33 -0.09 -1.00 0.00 0.00 179.01 178.20 1ddn h ARG 84 N 0.49 -0.90 -0.99 2.33 2.43 -0.36 0.66 114.38 118.04 1ddn h ARG 84 Ca 0.10 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.58 1ddn h ARG 84 Cb 0.55 0.20 -0.18 0.00 -0.42 0.00 0.00 29.97 30.12 1ddn h ARG 84 CO 0.03 -0.60 -0.06 1.25 -1.51 0.00 0.00 179.97 179.08 1ddn h LEU 85 N -1.12 -0.62 -0.04 3.80 7.12 0.07 2.06 115.31 126.58 1ddn h LEU 85 Ca -0.10 0.29 -0.09 0.00 0.13 0.00 0.00 57.88 58.11 1ddn h LEU 85 Cb 0.71 0.53 0.01 0.00 -0.53 0.00 0.00 40.66 41.38 1ddn h LEU 85 CO 0.16 -0.35 -0.34 -0.07 -0.13 0.00 0.00 178.44 177.72 1ddn h LEU 86 N 0.01 0.37 -0.28 2.25 3.38 -0.75 -2.25 115.31 118.04 1ddn h LEU 86 Ca 0.56 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1ddn h LEU 86 Cb 1.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1ddn h LEU 86 CO -0.95 1.00 -0.15 0.74 0.09 0.00 0.00 178.44 179.17 1ddn h THR 87 N -0.23 1.30 0.00 0.22 2.02 0.33 -0.41 112.91 116.14 1ddn h THR 87 Ca -0.03 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1ddn h THR 87 Cb 1.01 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1ddn h THR 87 CO 0.07 0.39 0.00 0.47 0.37 0.00 0.00 175.52 176.82 1ddn n ASP 88 N -4.42 0.00 0.03 4.18 8.00 0.67 -4.02 116.55 120.99 1ddn n ASP 88 Ca -0.04 0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1ddn n ASP 88 Cb 0.37 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.35 1ddn n ASP 88 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1ddn h ILE 89 N 0.00 1.17 -0.08 0.53 3.07 -1.68 -3.25 117.51 117.26 1ddn h ILE 89 Ca 0.00 -0.88 -0.09 0.00 1.55 0.00 0.00 64.86 65.44 1ddn h ILE 89 Cb 0.00 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1ddn h ILE 89 CO 0.00 0.22 -0.36 0.40 -1.05 0.00 0.00 178.15 177.36 1ddn h ILE 90 N -0.49 1.28 -2.74 0.16 2.04 -1.48 -3.47 117.51 112.81 1ddn h ILE 90 Ca -0.01 -1.35 -0.17 0.00 1.00 0.00 0.00 64.86 64.33 1ddn h ILE 90 Cb 0.43 1.62 0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1ddn h ILE 90 CO 0.02 0.40 -0.28 0.61 0.00 0.00 0.00 178.15 178.90 1ddn n GLY 91 N -0.36 0.27 3.85 5.37 0.00 -0.25 -5.03 105.19 109.05 1ddn n GLY 91 Ca -0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.47 3.30 0.07 0.99 2.96 -0.69 -4.94 118.68 116.90 1ddn s LEU 92 Ca 0.21 1.49 -0.34 0.00 -0.22 0.00 0.00 54.13 55.27 1ddn s LEU 92 Cb -0.09 -4.48 -0.13 0.00 0.50 0.00 0.00 46.19 41.98 1ddn s LEU 92 CO 0.25 -0.91 1.67 -0.67 -1.32 0.00 0.00 176.35 175.38 1ddn n ASP 93 N -2.55 3.17 0.26 3.68 -0.08 -1.26 -4.70 116.55 115.08 1ddn n ASP 93 Ca 0.06 1.05 0.16 0.00 -1.51 0.00 0.00 54.79 54.56 1ddn n ASP 93 Cb 0.54 -1.40 0.90 0.00 2.34 0.00 0.00 41.12 43.49 1ddn n ASP 93 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1ddn h ILE 94 N 4.23 0.46 0.00 5.18 6.09 -1.95 0.27 117.51 131.78 1ddn h ILE 94 Ca -0.46 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.00 1ddn h ILE 94 Cb 1.26 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.47 1ddn h ILE 94 CO 0.91 0.00 -0.14 0.78 -3.07 0.00 0.00 178.15 176.63 1ddn h ASN 95 N 0.00 0.00 -0.21 2.19 2.35 -2.04 -3.11 115.58 114.76 1ddn h ASN 95 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1ddn h ASN 95 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ddn h ASN 95 CO -0.00 0.14 0.00 0.29 -1.65 0.00 0.00 177.43 176.20 1ddn n LYS 96 N -3.35 2.71 0.20 0.81 5.02 0.89 -4.64 118.16 119.79 1ddn n LYS 96 Ca -0.00 -1.79 0.07 0.00 -2.02 0.00 0.00 58.31 54.57 1ddn n LYS 96 Cb 0.34 -1.17 0.39 0.00 -0.02 0.00 0.00 35.03 34.57 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 1.31 0.80 0.07 -0.18 2.07 -1.33 -3.12 116.25 115.88 1ddn h VAL 97 Ca 0.00 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1ddn h VAL 97 Cb 0.62 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ddn h VAL 97 CO 0.00 0.32 -0.03 -0.74 0.02 0.00 0.00 177.57 177.14 1ddn h HIS 98 N 0.00 -0.08 -1.10 1.57 -0.00 -1.82 -2.32 115.15 111.39 1ddn h HIS 98 Ca -0.00 -0.00 0.32 0.00 -0.00 0.00 0.00 60.37 60.68 1ddn h HIS 98 Cb 0.82 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.21 1ddn h HIS 98 CO 0.00 -0.05 0.81 -0.44 -0.00 0.00 0.00 177.93 178.24 1ddn h ASP 99 N -0.71 0.00 0.19 3.26 3.32 -1.89 1.19 116.42 121.78 1ddn h ASP 99 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1ddn h ASP 99 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ddn h ASP 99 CO 0.02 0.00 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.36 1ddn h GLU 100 N 0.00 -0.25 -0.18 3.56 4.57 -1.64 -3.09 114.58 117.56 1ddn h GLU 100 Ca 0.52 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.77 1ddn h GLU 100 Cb 2.13 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.77 1ddn h GLU 100 CO -0.01 0.06 0.21 0.00 -1.18 0.00 0.00 179.01 178.09 1ddn h ALA 101 N -0.68 1.77 0.00 2.92 0.00 -0.18 0.33 119.26 123.42 1ddn h ALA 101 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ddn h ALA 101 Cb 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ddn h ALA 101 CO 0.04 -0.30 -0.07 0.22 0.00 0.00 0.00 179.25 179.15 1ddn h ASP 102 N 0.00 0.00 0.03 0.00 1.82 0.14 -1.51 116.42 116.89 1ddn h ASP 102 Ca 0.08 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.34 1ddn h ASP 102 Cb 0.50 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.46 1ddn h ASP 102 CO -0.00 0.07 -2.25 0.54 -1.61 0.00 0.00 179.24 175.99 1ddn n ARG 103 N -3.73 0.65 0.14 0.28 1.74 0.11 -4.42 116.66 111.43 1ddn n ARG 103 Ca -0.02 0.25 0.05 0.00 -0.77 0.00 0.00 57.85 57.36 1ddn n ARG 103 Cb 0.17 -1.58 0.49 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.35 0.23 -0.60 -1.55 4.06 -1.28 -2.35 115.95 114.10 1ddn h TRP 104 Ca -0.55 -0.01 0.18 0.00 2.06 0.00 0.00 58.89 60.57 1ddn h TRP 104 Cb 1.79 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.85 1ddn h TRP 104 CO 0.02 0.22 0.46 1.05 -3.56 0.00 0.00 178.44 176.63 1ddn h GLU 105 N 0.23 0.00 -0.01 0.49 4.11 -1.48 0.56 114.58 118.47 1ddn h GLU 105 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1ddn h GLU 105 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ddn h GLU 105 CO -0.00 0.00 -0.02 0.72 0.07 0.00 0.00 179.01 179.78 1ddn n HIS 106 N -4.22 0.00 -0.62 2.06 8.25 -0.89 -3.99 115.22 115.82 1ddn n HIS 106 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1ddn n HIS 106 Cb 0.70 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 0.14 0.20 -2.88 1.59 0.24 0.04 -5.01 118.33 112.66 1ddn n VAL 107 Ca 0.18 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 1ddn n VAL 107 Cb 0.36 1.19 -0.04 0.00 -1.47 0.00 0.00 33.84 33.88 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 4.25 0.54 7.34 1.00 -0.35 -5.04 119.30 126.84 1ddn s MET 108 Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 55.69 56.58 1ddn s MET 108 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 34.83 31.18 1ddn s MET 108 CO 0.00 -0.41 0.94 -1.54 0.00 0.00 0.00 175.02 174.01 1ddn s SER 109 N 1.23 6.36 0.18 3.03 1.04 -1.26 -4.89 113.70 119.39 1ddn s SER 109 Ca 0.37 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.98 1ddn s SER 109 Cb -0.16 -2.42 0.13 0.00 0.10 0.00 0.00 66.02 63.68 1ddn s SER 109 CO 0.10 -0.69 1.76 0.44 0.98 0.00 0.00 173.24 175.83 1ddn h ASP 110 N 0.27 0.23 -0.60 7.02 3.32 -1.98 0.43 116.42 125.11 1ddn h ASP 110 Ca -0.46 0.04 0.10 0.00 0.02 0.00 0.00 57.03 56.74 1ddn h ASP 110 Cb 1.19 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1ddn h ASP 110 CO 0.62 0.17 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.59 1ddn h GLU 111 N 0.38 -0.18 0.00 3.56 4.39 -2.00 0.60 114.58 121.34 1ddn h GLU 111 Ca 0.22 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 1ddn h GLU 111 Cb 0.19 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1ddn h GLU 111 CO -0.20 -0.12 -0.30 0.28 -1.16 0.00 0.00 179.01 177.51 1ddn h VAL 112 N -0.19 0.76 0.51 3.13 2.07 -1.66 -3.06 116.25 117.80 1ddn h VAL 112 Ca 0.21 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1ddn h VAL 112 Cb 0.56 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1ddn h VAL 112 CO -0.69 0.29 -0.24 -0.08 0.02 0.00 0.00 177.57 176.87 1ddn h GLU 113 N 0.00 -0.66 -1.08 1.57 4.81 0.42 -1.36 114.58 118.27 1ddn h GLU 113 Ca -0.00 0.04 0.30 0.00 -0.13 0.00 0.00 59.36 59.57 1ddn h GLU 113 Cb 0.78 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1ddn h GLU 113 CO 0.04 -0.35 0.74 0.00 -0.73 0.00 0.00 179.01 178.71 1ddn h ARG 114 N -0.99 0.19 0.00 1.92 3.08 0.04 -2.35 114.38 116.27 1ddn h ARG 114 Ca -0.07 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1ddn h ARG 114 Cb 0.61 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1ddn h ARG 114 CO 0.11 0.12 -0.45 0.00 -1.07 0.00 0.00 179.97 178.68 1ddn h ARG 115 N 0.19 0.00 -1.35 0.04 2.47 -1.51 -3.29 114.38 110.94 1ddn h ARG 115 Ca 0.57 0.00 0.43 0.00 -1.26 0.00 0.00 59.98 59.71 1ddn h ARG 115 Cb 1.83 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 30.04 1ddn h ARG 115 CO -0.15 0.66 0.89 1.25 0.56 0.00 0.00 179.97 183.17 1ddn h LEU 116 N -1.00 0.23 -0.19 3.04 5.85 -0.73 1.43 115.31 123.93 1ddn h LEU 116 Ca -0.10 0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.52 1ddn h LEU 116 Cb 0.82 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ddn h LEU 116 CO -0.06 -0.13 -0.69 1.62 -0.34 0.00 0.00 178.44 178.84 1ddn h VAL 117 N 0.10 1.28 0.00 1.05 3.04 -1.61 -0.42 116.25 119.69 1ddn h VAL 117 Ca 0.79 -1.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.57 1ddn h VAL 117 Cb 2.56 1.89 -0.00 0.00 -2.01 0.00 0.00 31.29 33.72 1ddn h VAL 117 CO -0.34 0.60 -0.13 0.50 -1.01 0.00 0.00 177.57 177.19 1ddn h LYS 118 N 0.56 0.00 -0.01 4.17 3.64 0.17 -3.09 116.57 122.02 1ddn h LYS 118 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ddn h LYS 118 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1ddn h LYS 118 CO 0.15 0.13 -0.53 1.33 -2.27 0.00 0.00 179.45 178.26 1ddn n VAL 119 N -3.35 0.00 0.95 2.00 0.24 0.48 -5.10 118.33 113.55 1ddn n VAL 119 Ca -0.00 -0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1ddn n VAL 119 Cb 0.34 1.10 0.09 0.00 -1.47 0.00 0.00 33.84 33.90 1ddn n VAL 119 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87