#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 h SER 4 N 0.00 0.83 -0.27 -3.46 0.87 -2.05 -0.94 113.55 108.53 2dd5 h SER 4 Ca 0.00 -0.57 -0.05 0.00 -1.23 0.00 0.00 61.79 59.94 2dd5 h SER 4 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2dd5 h SER 4 CO 0.00 1.25 -0.01 0.40 -0.53 0.00 0.00 176.83 177.94 2dd5 h ILE 5 N 0.45 1.26 -0.81 2.23 5.03 -2.05 -2.30 117.51 121.33 2dd5 h ILE 5 Ca -0.01 -0.96 0.01 0.00 -0.12 0.00 0.00 64.86 63.79 2dd5 h ILE 5 Cb 1.15 1.35 -0.04 0.00 -3.03 0.00 0.00 36.82 36.25 2dd5 h ILE 5 CO 0.12 0.30 0.53 0.03 -0.68 0.00 0.00 178.15 178.45 2dd5 h ARG 6 N 0.26 1.05 -0.56 2.37 2.47 -1.98 0.13 114.38 118.12 2dd5 h ARG 6 Ca 0.07 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 2dd5 h ARG 6 Cb 0.45 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2dd5 h ARG 6 CO 0.02 0.69 0.08 0.93 0.56 0.00 0.00 179.97 182.25 2dd5 h GLU 7 N 1.08 0.90 -0.29 0.04 5.08 -0.97 -0.77 114.58 119.64 2dd5 h GLU 7 Ca 0.30 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2dd5 h GLU 7 Cb -0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2dd5 h GLU 7 CO -0.07 0.84 -0.46 1.49 -1.00 0.00 0.00 179.01 179.81 2dd5 h GLU 8 N 0.85 0.76 -0.03 2.33 4.81 -0.69 -1.09 114.58 121.52 2dd5 h GLU 8 Ca 0.18 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2dd5 h GLU 8 Cb 0.39 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2dd5 h GLU 8 CO 0.01 1.06 -0.05 0.28 -0.73 0.00 0.00 179.01 179.57 2dd5 h VAL 9 N 0.60 0.85 -0.13 0.32 2.07 -0.30 0.11 116.25 119.77 2dd5 h VAL 9 Ca 0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 2dd5 h VAL 9 Cb 1.03 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2dd5 h VAL 9 CO 0.10 0.00 -0.37 0.45 0.02 0.00 0.00 177.57 177.77 2dd5 h HIS 10 N -0.08 0.32 -0.50 1.57 3.86 -1.09 -1.16 115.15 118.07 2dd5 h HIS 10 Ca 0.03 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 2dd5 h HIS 10 Cb 0.13 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2dd5 h HIS 10 CO -0.14 0.61 -0.09 0.00 0.86 0.00 0.00 177.93 179.17 2dd5 h ARG 11 N 0.24 0.91 -0.17 2.45 3.08 -0.83 -2.44 114.38 117.62 2dd5 h ARG 11 Ca 0.03 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2dd5 h ARG 11 Cb 0.76 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2dd5 h ARG 11 CO 0.06 0.96 0.08 1.25 -1.07 0.00 0.00 179.97 181.25 2dd5 h HIS 12 N 0.82 0.25 -0.17 3.04 2.76 -0.33 -0.10 115.15 121.42 2dd5 h HIS 12 Ca 0.14 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2dd5 h HIS 12 Cb 0.62 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2dd5 h HIS 12 CO 0.04 0.29 0.12 -0.07 -1.30 0.00 0.00 177.93 177.01 2dd5 h LEU 13 N 0.13 0.00 0.14 0.26 3.38 -1.06 -1.70 115.31 116.46 2dd5 h LEU 13 Ca 0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.72 2dd5 h LEU 13 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dd5 h LEU 13 CO -0.01 0.00 -1.47 1.23 0.09 0.00 0.00 178.44 178.28 2dd5 h GLY 14 N 0.00 0.33 1.06 0.83 0.00 -0.97 -3.36 103.07 100.97 2dd5 h GLY 14 Ca 0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 2dd5 h GLY 14 CO -0.00 0.75 -0.20 -0.84 0.00 0.00 0.00 176.54 176.25 2dd5 h THR 15 N 0.08 1.27 -0.10 4.70 2.02 -0.36 -2.91 112.91 117.61 2dd5 h THR 15 Ca -0.22 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 65.64 2dd5 h THR 15 Cb 2.03 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2dd5 h THR 15 CO 0.18 0.46 0.12 -0.37 0.37 0.00 0.00 175.52 176.29 2dd5 h VAL 16 N 0.74 0.45 -0.10 3.16 -1.51 -1.48 0.26 116.25 117.78 2dd5 h VAL 16 Ca 0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.54 2dd5 h VAL 16 Cb 0.76 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2dd5 h VAL 16 CO 0.06 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.31 2dd5 h ALA 17 N 1.85 1.67 0.00 5.19 0.00 -1.65 -1.62 119.26 124.70 2dd5 h ALA 17 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2dd5 h ALA 17 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dd5 h ALA 17 CO -0.00 0.24 -0.28 -0.07 0.00 0.00 0.00 179.25 179.14 2dd5 h LEU 18 N 0.14 0.00 -1.90 0.00 3.38 -1.07 -2.75 115.31 113.10 2dd5 h LEU 18 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dd5 h LEU 18 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dd5 h LEU 18 CO 0.01 0.28 0.00 0.23 0.09 0.00 0.00 178.44 179.06 2dd5 n MET 19 N -3.99 2.21 -1.68 1.13 2.81 -0.62 -4.94 117.12 112.05 2dd5 n MET 19 Ca -0.02 -1.87 -0.48 0.00 -1.81 0.00 0.00 57.70 53.53 2dd5 n MET 19 Cb 0.35 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 2dd5 n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dd5 n GLN 20 N 1.03 2.22 -1.64 0.03 -0.06 -1.04 -4.89 117.38 113.03 2dd5 n GLN 20 Ca 0.18 0.81 -0.37 0.00 -2.00 0.00 0.00 57.00 55.63 2dd5 n GLN 20 Cb 0.46 -2.66 0.08 0.00 -4.06 0.00 0.00 30.24 24.06 2dd5 n GLN 20 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2dd5 n PRO 21 N 6.33 0.98 -3.55 3.69 -0.02 -1.26 -5.03 135.00 136.15 2dd5 n PRO 21 Ca 0.22 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2dd5 n PRO 21 Cb 0.30 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2dd5 n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dd5 s ALA 22 N -1.49 -1.55 -0.50 3.55 0.00 -1.26 -5.09 121.76 115.43 2dd5 s ALA 22 Ca 0.81 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 2dd5 s ALA 22 Cb -0.37 0.80 0.11 0.00 0.00 0.00 0.00 23.12 23.65 2dd5 s ALA 22 CO 0.42 -0.83 0.42 -0.51 0.00 0.00 0.00 175.76 175.26 2dd5 s LEU 23 N -2.76 5.86 -0.44 0.00 1.43 -1.26 -5.03 118.68 116.48 2dd5 s LEU 23 Ca 0.04 -1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 51.34 2dd5 s LEU 23 Cb -0.02 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2dd5 s LEU 23 CO -0.07 -0.74 0.35 -2.28 0.23 0.00 0.00 176.35 173.83 2dd5 s HIS 24 N 1.56 3.24 -0.44 0.29 2.46 -1.26 -5.04 115.29 116.10 2dd5 s HIS 24 Ca 0.04 -0.77 -0.10 0.00 0.47 0.00 0.00 55.06 54.70 2dd5 s HIS 24 Cb -0.27 -2.88 0.09 0.00 -0.13 0.00 0.00 32.58 29.38 2dd5 s HIS 24 CO 0.03 -0.70 0.30 -1.14 -2.47 0.00 0.00 174.74 170.77 2dd5 s GLN 25 N 1.66 2.63 0.30 2.88 0.74 -1.26 -5.07 119.66 121.54 2dd5 s GLN 25 Ca 0.04 -1.52 -0.29 0.00 0.05 0.00 0.00 55.36 53.65 2dd5 s GLN 25 Cb -0.22 -3.86 -0.10 0.00 1.10 0.00 0.00 33.01 29.93 2dd5 s GLN 25 CO 0.08 -1.02 1.28 -0.65 -0.55 0.00 0.00 175.29 174.44 2dd5 s GLN 26 N 1.44 4.40 -0.20 1.67 -0.21 -1.26 -5.00 119.66 120.50 2dd5 s GLN 26 Ca 0.04 2.14 -0.07 0.00 0.02 0.00 0.00 55.36 57.48 2dd5 s GLN 26 Cb -0.24 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2dd5 s GLN 26 CO 0.02 -0.15 0.07 0.95 -2.12 0.00 0.00 175.29 174.06 2dd5 s THR 27 N -0.88 4.68 -0.53 -0.19 -4.23 -1.26 -5.03 115.64 108.20 2dd5 s THR 27 Ca 0.50 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2dd5 s THR 27 Cb -0.38 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.61 2dd5 s THR 27 CO 0.48 0.42 0.73 1.41 -0.54 0.00 0.00 174.62 177.13 2dd5 n HIS 28 N 3.90 2.30 -3.41 3.99 8.25 -1.26 -4.94 115.22 124.05 2dd5 n HIS 28 Ca -0.16 -3.93 -0.15 0.00 -0.26 0.00 0.00 57.72 53.21 2dd5 n HIS 28 Cb 0.52 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 31.17 2dd5 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dd5 n ALA 29 N 0.67 -2.59 -1.17 -1.41 0.00 -1.26 -4.94 120.51 109.81 2dd5 n ALA 29 Ca 0.27 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 2dd5 n ALA 29 Cb 0.47 -2.44 0.10 0.00 0.00 0.00 0.00 19.45 17.58 2dd5 n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dd5 s PRO 30 N -4.34 2.05 0.76 0.00 0.04 -1.26 -5.01 135.00 127.24 2dd5 s PRO 30 Ca 0.17 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2dd5 s PRO 30 Cb -0.05 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.68 2dd5 s PRO 30 CO 0.81 -1.82 1.10 0.00 0.04 0.00 0.00 177.00 177.14 2dd5 s ALA 31 N -2.76 2.24 0.42 8.56 0.00 -1.26 -4.90 121.76 124.05 2dd5 s ALA 31 Ca 0.63 0.36 0.15 0.00 0.00 0.00 0.00 51.96 53.10 2dd5 s ALA 31 Cb -0.19 -3.30 1.02 0.00 0.00 0.00 0.00 23.12 20.65 2dd5 s ALA 31 CO 0.55 -1.75 1.91 -1.35 0.00 0.00 0.00 175.76 175.12 2dd5 h PRO 32 N -0.94 0.44 0.00 0.00 0.11 -1.96 -0.21 132.00 129.44 2dd5 h PRO 32 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dd5 h PRO 32 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dd5 h PRO 32 CO 0.51 0.29 0.00 0.25 -0.21 0.00 0.00 178.00 178.84 2dd5 n THR 33 N -4.49 1.21 0.83 -1.15 -2.24 -1.26 -1.69 114.28 105.49 2dd5 n THR 33 Ca 0.15 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 2dd5 n THR 33 Cb 0.53 -1.12 0.13 0.00 -2.10 0.00 0.00 70.33 67.76 2dd5 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dd5 n GLU 34 N -1.47 2.37 -3.56 -0.78 -0.58 -0.09 -4.83 120.64 111.70 2dd5 n GLU 34 Ca 0.03 -2.02 -0.41 0.00 -0.42 0.00 0.00 57.16 54.34 2dd5 n GLU 34 Cb 0.12 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.41 2dd5 n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dd5 s ILE 35 N -1.87 4.60 0.79 -3.67 -1.09 -0.68 -5.01 121.20 114.27 2dd5 s ILE 35 Ca 0.31 -1.03 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 2dd5 s ILE 35 Cb 0.21 -3.66 0.07 0.00 -1.58 0.00 0.00 42.46 37.49 2dd5 s ILE 35 CO 0.30 -0.36 1.16 0.42 -1.23 0.00 0.00 174.94 175.24 2dd5 s THR 36 N 1.54 2.24 0.26 2.92 -4.23 -1.26 -4.83 115.64 112.26 2dd5 s THR 36 Ca 0.03 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2dd5 s THR 36 Cb -0.21 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.79 2dd5 s THR 36 CO 0.06 -0.10 1.91 -0.74 -0.54 0.00 0.00 174.62 175.21 2dd5 h HIS 37 N -0.99 1.19 -0.61 3.99 2.76 -1.99 -0.59 115.15 118.92 2dd5 h HIS 37 Ca -0.46 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 2dd5 h HIS 37 Cb 1.32 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 2dd5 h HIS 37 CO 0.34 0.79 0.35 1.15 -1.30 0.00 0.00 177.93 179.25 2dd5 h THR 38 N 1.25 1.19 -0.32 6.26 2.02 -1.99 -1.21 112.91 120.11 2dd5 h THR 38 Ca 0.33 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 2dd5 h THR 38 Cb -0.06 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2dd5 h THR 38 CO -0.06 0.21 -0.39 -0.07 0.37 0.00 0.00 175.52 175.58 2dd5 h LEU 39 N 0.83 0.81 0.05 2.58 3.38 -1.84 -1.43 115.31 119.69 2dd5 h LEU 39 Ca 0.22 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2dd5 h LEU 39 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2dd5 h LEU 39 CO -0.04 1.10 -0.08 0.15 0.09 0.00 0.00 178.44 179.66 2dd5 h PHE 40 N 0.62 -0.21 -0.63 1.13 3.57 -0.77 0.22 116.94 120.86 2dd5 h PHE 40 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2dd5 h PHE 40 Cb 0.94 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2dd5 h PHE 40 CO 0.05 -0.13 0.30 -0.09 -2.23 0.00 0.00 178.31 176.21 2dd5 h ARG 41 N -0.17 0.90 -0.38 1.11 2.43 -1.17 -1.00 114.38 116.09 2dd5 h ARG 41 Ca 0.02 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2dd5 h ARG 41 Cb 0.18 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2dd5 h ARG 41 CO -0.05 0.70 -0.16 0.00 -1.51 0.00 0.00 179.97 178.95 2dd5 h ALA 42 N 1.43 0.54 -0.07 2.80 0.00 -0.72 -2.65 119.26 120.59 2dd5 h ALA 42 Ca 0.22 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2dd5 h ALA 42 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dd5 h ALA 42 CO -0.03 0.46 -0.58 1.88 0.00 0.00 0.00 179.25 180.98 2dd5 h TYR 43 N 0.59 0.29 -0.47 0.00 0.05 -0.27 -3.07 116.97 114.08 2dd5 h TYR 43 Ca 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2dd5 h TYR 43 Cb 0.70 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2dd5 h TYR 43 CO 0.06 0.75 0.00 0.25 -1.05 0.00 0.00 178.16 178.17 2dd5 n THR 44 N -3.89 1.37 -0.92 -2.88 -2.24 -0.41 -4.95 114.28 100.36 2dd5 n THR 44 Ca -0.02 -0.86 -0.30 0.00 -2.27 0.00 0.00 64.05 60.60 2dd5 n THR 44 Cb 0.60 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 69.00 2dd5 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dd5 s ARG 45 N -1.79 0.73 -0.37 -0.78 1.70 -1.00 -4.98 118.95 112.46 2dd5 s ARG 45 Ca 0.38 1.03 -0.16 0.00 -0.47 0.00 0.00 55.73 56.51 2dd5 s ARG 45 Cb 0.24 -1.73 -0.00 0.00 -0.57 0.00 0.00 34.95 32.89 2dd5 s ARG 45 CO 0.18 -2.67 0.38 0.08 -1.08 0.00 0.00 175.30 172.19 2dd5 s VAL 46 N -2.75 5.15 0.40 4.99 1.01 -1.26 -4.98 120.40 122.97 2dd5 s VAL 46 Ca 0.65 -0.12 0.23 0.00 0.00 0.00 0.00 61.98 62.74 2dd5 s VAL 46 Cb -0.21 -3.89 0.42 0.00 0.00 0.00 0.00 36.38 32.70 2dd5 s VAL 46 CO 0.59 -0.20 1.67 -0.65 0.00 0.00 0.00 175.10 176.51 2dd5 h PRO 47 N 8.55 0.22 0.00 2.72 0.11 -1.82 -2.34 132.00 139.43 2dd5 h PRO 47 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2dd5 h PRO 47 Cb 1.13 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2dd5 h PRO 47 CO 0.72 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.27 2dd5 n HIS 48 N -4.78 0.62 -2.71 0.65 1.44 -1.15 -4.47 115.22 104.83 2dd5 n HIS 48 Ca 0.33 0.22 -0.43 0.00 -2.01 0.00 0.00 57.72 55.82 2dd5 n HIS 48 Cb 1.16 -0.86 -0.00 0.00 0.12 0.00 0.00 29.99 30.41 2dd5 n HIS 48 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2dd5 s ASP 49 N -3.98 6.90 0.00 4.39 2.15 -0.88 -4.72 116.67 120.52 2dd5 s ASP 49 Ca 0.07 -2.57 0.16 0.00 0.43 0.00 0.00 52.55 50.64 2dd5 s ASP 49 Cb 0.11 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2dd5 s ASP 49 CO 0.44 -1.05 0.82 1.33 -0.17 0.00 0.00 175.17 176.54 2dd5 n VAL 50 N 5.82 0.00 -1.66 1.11 0.24 -1.26 -4.99 118.33 117.59 2dd5 n VAL 50 Ca 0.44 -0.29 -0.49 0.00 -2.04 0.00 0.00 64.34 61.96 2dd5 n VAL 50 Cb 0.45 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 2dd5 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd5 n GLY 51 N 1.21 1.08 0.35 7.63 0.00 -1.26 -1.88 105.19 112.32 2dd5 n GLY 51 Ca 0.06 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2dd5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd5 n GLY 52 N 3.63 0.80 3.76 -0.02 0.00 -1.26 -5.06 105.19 107.05 2dd5 n GLY 52 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2dd5 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dd5 s GLU 53 N -0.89 4.49 0.27 1.61 2.02 -0.79 -4.97 118.70 120.45 2dd5 s GLU 53 Ca 0.00 1.96 -0.30 0.00 0.02 0.00 0.00 54.97 56.65 2dd5 s GLU 53 Cb 0.00 -3.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.02 2dd5 s GLU 53 CO 0.00 0.03 1.35 0.00 0.02 0.00 0.00 175.26 176.66 2dd5 s ALA 54 N -1.17 3.55 0.16 5.21 0.00 -1.26 -5.02 121.76 123.23 2dd5 s ALA 54 Ca 0.47 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 2dd5 s ALA 54 Cb -0.35 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.27 2dd5 s ALA 54 CO 0.45 -0.64 0.35 0.34 0.00 0.00 0.00 175.76 176.26 2dd5 s ASP 55 N 0.00 -0.06 0.59 0.00 -1.08 -1.26 -5.18 116.67 109.68 2dd5 s ASP 55 Ca 0.54 -0.70 -0.02 0.00 -0.52 0.00 0.00 52.55 51.86 2dd5 s ASP 55 Cb -0.40 0.47 0.03 0.00 -1.46 0.00 0.00 42.92 41.57 2dd5 s ASP 55 CO 0.46 -0.92 0.84 0.68 0.52 0.00 0.00 175.17 176.75 2dd5 s VAL 56 N -3.92 2.85 0.21 1.11 -7.23 -1.26 -5.06 120.40 107.10 2dd5 s VAL 56 Ca 0.13 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 2dd5 s VAL 56 Cb 0.02 -3.12 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 2dd5 s VAL 56 CO -0.03 -0.10 0.95 -2.84 -0.31 0.00 0.00 175.10 172.77 2dd5 s PRO 57 N -4.90 4.82 0.03 4.82 0.02 -1.26 -5.04 135.00 133.49 2dd5 s PRO 57 Ca 0.56 1.48 0.02 0.00 0.02 0.00 0.00 61.00 63.09 2dd5 s PRO 57 Cb -0.10 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 2dd5 s PRO 57 CO 0.41 0.44 -0.07 0.96 -0.33 0.00 0.00 177.00 178.41 2dd5 s ILE 58 N -0.87 0.48 -0.54 2.83 -4.36 -1.26 -5.09 121.20 112.39 2dd5 s ILE 58 Ca 0.43 -0.93 -0.28 0.00 -0.26 0.00 0.00 60.65 59.60 2dd5 s ILE 58 Cb -0.25 -0.53 0.02 0.00 1.25 0.00 0.00 42.46 42.95 2dd5 s ILE 58 CO 0.31 -0.32 1.29 -0.70 0.24 0.00 0.00 174.94 175.76 2dd5 s GLU 59 N -1.35 3.48 0.41 0.37 2.12 -1.26 -4.97 118.70 117.51 2dd5 s GLU 59 Ca -0.09 0.46 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 2dd5 s GLU 59 Cb -0.09 -4.04 -0.09 0.00 0.26 0.00 0.00 34.13 30.18 2dd5 s GLU 59 CO 0.00 -1.71 1.34 0.71 -0.54 0.00 0.00 175.26 175.06 2dd5 s TYR 60 N 5.31 2.73 0.18 5.30 2.02 -1.26 -5.03 117.35 126.60 2dd5 s TYR 60 Ca 0.49 1.37 0.05 0.00 -0.37 0.00 0.00 57.07 58.61 2dd5 s TYR 60 Cb -0.09 -3.74 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 2dd5 s TYR 60 CO 0.27 -2.31 -0.09 -3.38 -1.57 0.00 0.00 175.55 168.47 2dd5 s HIS 61 N -1.24 1.44 0.48 2.71 -3.43 -1.26 -5.15 115.29 108.84 2dd5 s HIS 61 Ca 0.58 -0.74 0.02 0.00 -0.80 0.00 0.00 55.06 54.11 2dd5 s HIS 61 Cb -0.40 -0.74 0.01 0.00 -1.43 0.00 0.00 32.58 30.03 2dd5 s HIS 61 CO 0.51 0.13 0.69 -1.21 -2.00 0.00 0.00 174.74 172.86 2dd5 s GLU 62 N -3.74 2.81 -0.10 -0.38 0.41 -1.26 -5.11 118.70 111.33 2dd5 s GLU 62 Ca 0.20 -0.74 -0.06 0.00 -0.41 0.00 0.00 54.97 53.97 2dd5 s GLU 62 Cb 0.02 -2.57 0.04 0.00 -1.78 0.00 0.00 34.13 29.84 2dd5 s GLU 62 CO 0.04 -0.44 0.24 0.21 -0.49 0.00 0.00 175.26 174.82 2dd5 s LYS 63 N -4.59 0.22 0.53 1.61 2.20 -1.26 -5.14 119.74 113.31 2dd5 s LYS 63 Ca 0.53 0.47 -0.21 0.00 -0.36 0.00 0.00 55.97 56.39 2dd5 s LYS 63 Cb -0.10 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.12 2dd5 s LYS 63 CO 0.37 -0.13 1.25 -1.21 -0.36 0.00 0.00 175.35 175.28 2dd5 s GLU 64 N 0.93 3.27 0.04 4.03 2.02 -1.26 -4.97 118.70 122.77 2dd5 s GLU 64 Ca -0.07 1.97 -0.27 0.00 0.02 0.00 0.00 54.97 56.62 2dd5 s GLU 64 Cb -0.08 -2.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 2dd5 s GLU 64 CO -0.06 -1.00 0.86 -2.00 0.02 0.00 0.00 175.26 173.08 2dd5 s GLU 65 N -2.97 4.56 0.42 1.61 2.12 -1.26 -5.04 118.70 118.14 2dd5 s GLU 65 Ca 0.71 1.24 -0.22 0.00 0.36 0.00 0.00 54.97 57.06 2dd5 s GLU 65 Cb -0.34 -3.40 -0.11 0.00 0.26 0.00 0.00 34.13 30.55 2dd5 s GLU 65 CO 0.39 0.16 0.96 -1.21 -0.54 0.00 0.00 175.26 175.02 2dd5 s GLU 66 N 0.31 4.25 0.27 4.30 0.41 -1.26 -4.95 118.70 122.02 2dd5 s GLU 66 Ca 0.44 1.17 -0.03 0.00 -0.41 0.00 0.00 54.97 56.14 2dd5 s GLU 66 Cb -0.21 -2.26 0.39 0.00 -1.78 0.00 0.00 34.13 30.27 2dd5 s GLU 66 CO 0.26 -0.02 1.90 0.82 -0.49 0.00 0.00 175.26 177.73 2dd5 h ILE 67 N 1.98 1.14 0.00 -1.63 2.04 -2.00 -1.27 117.51 117.76 2dd5 h ILE 67 Ca -0.49 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 2dd5 h ILE 67 Cb 1.18 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2dd5 h ILE 67 CO 0.61 0.22 -0.34 4.11 0.00 0.00 0.00 178.15 182.76 2dd5 h TRP 68 N 1.21 0.00 -0.23 1.37 5.08 -1.99 -1.87 115.95 119.51 2dd5 h TRP 68 Ca 0.40 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.30 2dd5 h TRP 68 Cb 0.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.22 2dd5 h TRP 68 CO -0.00 0.34 -0.15 0.93 -1.28 0.00 0.00 178.44 178.28 2dd5 h GLU 69 N 0.00 0.51 -0.58 0.12 5.08 -1.63 0.28 114.58 118.36 2dd5 h GLU 69 Ca -0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2dd5 h GLU 69 Cb 0.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2dd5 h GLU 69 CO 0.04 0.80 0.35 1.25 -1.00 0.00 0.00 179.01 180.46 2dd5 h LEU 70 N 0.22 0.70 -0.87 1.33 5.85 -1.15 -0.11 115.31 121.28 2dd5 h LEU 70 Ca 0.05 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2dd5 h LEU 70 Cb 0.67 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2dd5 h LEU 70 CO 0.04 0.56 0.12 0.78 -0.34 0.00 0.00 178.44 179.59 2dd5 h ASN 71 N 0.79 0.91 -0.23 1.25 2.35 -1.23 -1.82 115.58 117.59 2dd5 h ASN 71 Ca 0.21 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2dd5 h ASN 71 Cb -0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2dd5 h ASN 71 CO -0.04 0.90 0.07 0.74 -1.65 0.00 0.00 177.43 177.44 2dd5 h THR 72 N 0.91 1.20 -0.26 2.81 2.02 -0.46 -0.68 112.91 118.45 2dd5 h THR 72 Ca 0.19 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2dd5 h THR 72 Cb 0.37 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2dd5 h THR 72 CO 0.01 0.20 0.09 0.15 0.37 0.00 0.00 175.52 176.34 2dd5 h PHE 73 N 0.20 0.16 -0.71 3.16 3.57 -0.80 -0.45 116.94 122.07 2dd5 h PHE 73 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2dd5 h PHE 73 Cb 0.25 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2dd5 h PHE 73 CO 0.01 0.08 0.46 0.00 -2.23 0.00 0.00 178.31 176.62 2dd5 h ALA 74 N 1.16 0.91 -0.49 2.41 0.00 -1.23 -1.19 119.26 120.83 2dd5 h ALA 74 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dd5 h ALA 74 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2dd5 h ALA 74 CO -0.11 0.28 0.31 1.15 0.00 0.00 0.00 179.25 180.88 2dd5 h THR 75 N 0.93 1.09 -0.69 0.00 2.02 -0.53 0.17 112.91 115.90 2dd5 h THR 75 Ca 0.27 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2dd5 h THR 75 Cb -0.06 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2dd5 h THR 75 CO -0.08 0.12 0.16 0.00 0.37 0.00 0.00 175.52 176.09 2dd5 h GLU 77 N 1.05 0.62 -0.51 0.00 4.39 -0.99 -2.67 114.58 116.47 2dd5 h GLU 77 Ca 0.22 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 2dd5 h GLU 77 Cb 0.38 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2dd5 h GLU 77 CO 0.00 1.08 -0.05 0.00 -1.16 0.00 0.00 179.01 178.89 2dd5 h LEU 79 N 0.81 0.59 -0.03 0.00 3.38 -0.96 -0.35 115.31 118.76 2dd5 h LEU 79 Ca 0.14 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2dd5 h LEU 79 Cb 0.55 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2dd5 h LEU 79 CO 0.03 0.54 -0.50 0.00 0.09 0.00 0.00 178.44 178.61 2dd5 h ALA 80 N 1.55 0.10 -0.70 1.53 0.00 -1.03 0.28 119.26 120.98 2dd5 h ALA 80 Ca 0.16 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.67 2dd5 h ALA 80 Cb 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 2dd5 h ALA 80 CO -0.01 0.30 0.25 2.35 0.00 0.00 0.00 179.25 182.14 2dd5 h TRP 81 N -0.13 0.43 -0.32 0.00 7.01 0.24 -1.24 115.95 121.95 2dd5 h TRP 81 Ca -0.05 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2dd5 h TRP 81 Cb 1.20 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 2dd5 h TRP 81 CO 0.14 0.05 0.00 0.54 -2.79 0.00 0.00 178.44 176.38 2dd5 n ARG 82 N -5.03 2.98 -1.10 2.65 5.12 -0.18 -4.94 116.66 116.18 2dd5 n ARG 82 Ca 0.12 -1.67 -0.03 0.00 -1.93 0.00 0.00 57.85 54.34 2dd5 n ARG 82 Cb 0.38 -1.85 -0.01 0.00 -1.16 0.00 0.00 32.46 29.81 2dd5 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd5 n GLY 83 N 0.42 0.61 0.15 -0.13 0.00 -0.47 -4.90 105.19 100.87 2dd5 n GLY 83 Ca 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2dd5 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dd5 h VAL 84 N 0.00 1.36 -2.48 1.61 2.07 -1.16 -3.47 116.25 114.19 2dd5 h VAL 84 Ca -0.07 -1.94 0.15 0.00 0.82 0.00 0.00 66.70 65.67 2dd5 h VAL 84 Cb 0.39 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 2dd5 h VAL 84 CO 0.10 0.55 0.46 -1.66 0.02 0.00 0.00 177.57 177.03 2dd5 s TRP 85 N -3.69 -0.10 0.29 1.57 -2.14 -1.24 -5.02 118.94 108.62 2dd5 s TRP 85 Ca -0.01 -0.26 0.08 0.00 2.66 0.00 0.00 56.10 58.56 2dd5 s TRP 85 Cb 0.13 0.67 -0.04 0.00 -3.10 0.00 0.00 33.47 31.13 2dd5 s TRP 85 CO 0.75 -0.93 0.18 0.95 -2.66 0.00 0.00 176.95 175.24 2dd5 s THR 86 N -3.16 3.76 0.40 0.66 -4.23 -1.26 -4.13 115.64 107.68 2dd5 s THR 86 Ca 0.14 -1.53 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 2dd5 s THR 86 Cb -0.02 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.93 2dd5 s THR 86 CO 0.04 -0.27 2.01 0.00 -0.54 0.00 0.00 174.62 175.85 2dd5 h ALA 87 N 1.49 1.77 -0.62 3.99 0.00 -1.96 -1.77 119.26 122.16 2dd5 h ALA 87 Ca -0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2dd5 h ALA 87 Cb 1.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2dd5 h ALA 87 CO 0.60 0.15 0.12 0.93 0.00 0.00 0.00 179.25 181.05 2dd5 h GLU 88 N 0.60 1.00 -0.65 0.00 4.39 -1.99 0.57 114.58 118.50 2dd5 h GLU 88 Ca 0.23 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2dd5 h GLU 88 Cb 0.18 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2dd5 h GLU 88 CO -0.06 0.91 0.12 0.93 -1.16 0.00 0.00 179.01 179.74 2dd5 h GLU 89 N 0.95 1.08 -0.00 2.33 5.08 -1.75 -2.14 114.58 120.13 2dd5 h GLU 89 Ca 0.19 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2dd5 h GLU 89 Cb 0.39 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dd5 h GLU 89 CO 0.01 0.99 0.00 -0.09 -1.00 0.00 0.00 179.01 178.91 2dd5 h ARG 90 N 1.00 0.00 -0.49 2.33 2.43 -0.71 -2.19 114.38 116.75 2dd5 h ARG 90 Ca 0.20 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2dd5 h ARG 90 Cb 0.42 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2dd5 h ARG 90 CO 0.01 0.03 0.21 0.00 -1.51 0.00 0.00 179.97 178.71 2dd5 h ARG 91 N -0.03 0.40 -0.38 0.20 3.08 -0.75 0.44 114.38 117.35 2dd5 h ARG 91 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2dd5 h ARG 91 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2dd5 h ARG 91 CO -0.00 0.27 0.20 -0.09 -1.07 0.00 0.00 179.97 179.28 2dd5 h ARG 92 N 0.42 0.40 -0.25 0.04 1.12 -1.26 0.29 114.38 115.13 2dd5 h ARG 92 Ca 0.22 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.88 2dd5 h ARG 92 Cb 0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2dd5 h ARG 92 CO -0.19 0.27 -0.56 0.87 -3.11 0.00 0.00 179.97 177.25 2dd5 h LYS 93 N 0.41 0.83 0.06 0.20 1.57 -0.97 -0.65 116.57 118.02 2dd5 h LYS 93 Ca 0.15 -0.55 -0.23 0.00 -1.87 0.00 0.00 60.65 58.15 2dd5 h LYS 93 Cb 0.04 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.44 2dd5 h LYS 93 CO -0.09 1.18 -0.94 0.37 -0.57 0.00 0.00 179.45 179.40 2dd5 h GLN 94 N 0.59 0.53 -0.01 3.15 4.15 0.06 -3.12 115.11 120.46 2dd5 h GLN 94 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 58.77 2dd5 h GLN 94 Cb 1.17 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.06 2dd5 h GLN 94 CO 0.12 1.27 -0.43 0.09 -1.93 0.00 0.00 178.83 177.95 2dd5 n ASN 95 N -3.99 1.73 0.06 -0.69 3.02 0.99 -4.58 115.26 111.80 2dd5 n ASN 95 Ca -0.12 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 2dd5 n ASN 95 Cb 0.84 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.53 2dd5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dd5 h ASP 97 N 0.00 0.00 0.57 0.00 3.32 -1.12 -2.13 116.42 117.06 2dd5 h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dd5 h ASP 97 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2dd5 h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dd5 h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.79 -3.49 116.25 108.11 2dd5 h VAL 98 Ca 0.02 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2dd5 h VAL 98 Cb 0.19 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2dd5 h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dd5 n GLY 99 N -0.39 -1.46 0.22 5.19 0.00 -0.80 -4.31 105.19 103.64 2dd5 n GLY 99 Ca 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 2dd5 n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dd5 h GLN 100 N 0.00 0.05 0.30 1.61 5.75 -1.94 -0.16 115.11 120.72 2dd5 h GLN 100 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2dd5 h GLN 100 Cb 0.00 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2dd5 h GLN 100 CO 0.00 0.04 -0.14 1.15 -2.65 0.00 0.00 178.83 177.22 2dd5 h THR 101 N 0.06 0.71 -0.17 2.39 2.02 -2.00 -2.72 112.91 113.19 2dd5 h THR 101 Ca 0.29 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.34 2dd5 h THR 101 Cb 0.45 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2dd5 h THR 101 CO -0.54 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 175.50 2dd5 h VAL 102 N -0.40 1.31 -0.83 3.16 2.07 -1.72 0.23 116.25 120.07 2dd5 h VAL 102 Ca -0.04 -1.59 0.12 0.00 0.82 0.00 0.00 66.70 66.00 2dd5 h VAL 102 Cb 0.31 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2dd5 h VAL 102 CO 0.07 0.49 0.45 0.22 0.02 0.00 0.00 177.57 178.82 2dd5 h TYR 103 N 0.32 0.81 0.00 1.57 3.20 -0.83 -2.13 116.97 119.91 2dd5 h TYR 103 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2dd5 h TYR 103 Cb 0.89 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2dd5 h TYR 103 CO 0.03 0.28 -1.10 1.28 -1.64 0.00 0.00 178.16 177.00 2dd5 n LEU 104 N -4.80 0.43 0.04 2.82 4.77 -1.04 -4.56 117.00 114.65 2dd5 n LEU 104 Ca 0.15 -0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 2dd5 n LEU 104 Cb 0.34 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 2dd5 n LEU 104 CO 0.24 0.11 -0.27 1.23 -1.33 0.00 0.00 177.39 177.37 2dd5 h GLY 105 N 3.27 0.13 -2.70 -0.72 0.00 -0.81 -3.47 103.07 98.77 2dd5 h GLY 105 Ca 0.00 -0.34 -0.45 0.00 0.00 0.00 0.00 47.33 46.54 2dd5 h GLY 105 CO 0.00 0.30 -0.28 1.06 0.00 0.00 0.00 176.54 177.62 2dd5 s MET 106 N -2.63 3.18 0.59 4.80 -1.94 -0.81 -5.05 119.30 117.43 2dd5 s MET 106 Ca -0.06 -0.79 -0.17 0.00 -1.71 0.00 0.00 55.69 52.97 2dd5 s MET 106 Cb 0.08 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 2dd5 s MET 106 CO 0.83 0.03 1.09 -2.14 -0.01 0.00 0.00 175.02 174.83 2dd5 s PRO 107 N -4.26 3.22 0.09 2.03 0.02 -1.26 -4.90 135.00 129.95 2dd5 s PRO 107 Ca 0.44 1.38 -0.21 0.00 0.02 0.00 0.00 61.00 62.63 2dd5 s PRO 107 Cb -0.10 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 2dd5 s PRO 107 CO 0.33 -0.92 1.36 -0.92 -0.33 0.00 0.00 177.00 176.52 2dd5 h TYR 108 N 0.62 -1.18 0.00 6.54 3.20 -1.97 0.28 116.97 124.46 2dd5 h TYR 108 Ca -0.48 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2dd5 h TYR 108 Cb 1.24 0.57 0.00 0.00 1.54 0.00 0.00 36.73 40.08 2dd5 h TYR 108 CO 0.55 -0.29 0.00 0.66 -1.64 0.00 0.00 178.16 177.44 2dd5 n TYR 109 N -4.47 0.80 -0.11 -3.82 0.53 -1.26 -2.05 117.16 106.77 2dd5 n TYR 109 Ca -0.01 0.31 -0.09 0.00 -1.02 0.00 0.00 57.90 57.09 2dd5 n TYR 109 Cb 0.20 -1.00 0.06 0.00 -1.03 0.00 0.00 39.34 37.58 2dd5 n TYR 109 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2dd5 h GLY 110 N 2.42 0.91 1.41 2.72 0.00 -1.33 -1.34 103.07 107.85 2dd5 h GLY 110 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 2dd5 h GLY 110 CO 0.00 0.71 -0.49 3.21 0.00 0.00 0.00 176.54 179.97 2dd5 h ARG 111 N 0.73 0.63 -0.30 4.80 3.08 -0.79 -1.00 114.38 121.54 2dd5 h ARG 111 Ca 0.10 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2dd5 h ARG 111 Cb 0.75 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2dd5 h ARG 111 CO 0.06 0.98 0.19 -1.49 -1.07 0.00 0.00 179.97 178.64 2dd5 h TRP 112 N 0.50 0.39 -0.10 3.04 4.06 -1.31 -1.85 115.95 120.69 2dd5 h TRP 112 Ca 0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 2dd5 h TRP 112 Cb 1.04 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2dd5 h TRP 112 CO 0.05 0.27 0.01 1.25 -3.56 0.00 0.00 178.44 176.46 2dd5 h LEU 113 N 0.40 0.15 -1.04 -4.49 5.85 -1.13 -1.54 115.31 113.51 2dd5 h LEU 113 Ca 0.11 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2dd5 h LEU 113 Cb -0.02 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 2dd5 h LEU 113 CO -0.02 0.38 0.63 -0.07 -0.34 0.00 0.00 178.44 179.03 2dd5 h LEU 114 N -0.08 0.99 -0.70 2.25 3.38 -1.16 -1.94 115.31 118.04 2dd5 h LEU 114 Ca 0.03 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2dd5 h LEU 114 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2dd5 h LEU 114 CO 0.00 0.61 -0.64 0.74 0.09 0.00 0.00 178.44 179.24 2dd5 h THR 115 N 1.10 1.45 -0.57 0.22 2.02 -1.17 -0.09 112.91 115.88 2dd5 h THR 115 Ca 0.44 -2.17 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 2dd5 h THR 115 Cb 0.25 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 2dd5 h THR 115 CO -0.19 0.62 0.05 0.00 0.37 0.00 0.00 175.52 176.37 2dd5 h ALA 116 N 1.33 0.76 -0.50 6.16 0.00 -0.57 -0.34 119.26 126.11 2dd5 h ALA 116 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2dd5 h ALA 116 Cb 1.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2dd5 h ALA 116 CO 0.09 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.81 2dd5 h ALA 117 N 0.99 0.92 -0.38 0.00 0.00 -1.12 -3.10 119.26 116.56 2dd5 h ALA 117 Ca 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dd5 h ALA 117 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2dd5 h ALA 117 CO 0.02 0.63 0.22 -0.09 0.00 0.00 0.00 179.25 180.03 2dd5 h ARG 118 N 0.81 0.53 -0.56 0.00 9.65 -0.39 -2.83 114.38 121.59 2dd5 h ARG 118 Ca 0.14 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2dd5 h ARG 118 Cb 0.59 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 2dd5 h ARG 118 CO 0.04 0.41 0.23 0.97 2.80 0.00 0.00 179.97 184.42 2dd5 h ILE 119 N 0.50 1.20 -1.01 1.20 6.09 -1.01 0.20 117.51 124.67 2dd5 h ILE 119 Ca 0.14 -0.60 0.02 0.00 -1.37 0.00 0.00 64.86 63.04 2dd5 h ILE 119 Cb 0.03 0.52 -0.05 0.00 0.47 0.00 0.00 36.82 37.79 2dd5 h ILE 119 CO -0.02 0.24 0.66 -0.07 -3.07 0.00 0.00 178.15 175.89 2dd5 h LEU 120 N 0.79 1.14 0.09 2.19 3.38 -1.43 -1.57 115.31 119.91 2dd5 h LEU 120 Ca 0.19 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2dd5 h LEU 120 Cb 0.14 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.62 2dd5 h LEU 120 CO -0.02 0.82 -0.58 0.58 0.09 0.00 0.00 178.44 179.32 2dd5 h VAL 121 N 1.34 1.58 -0.82 1.22 2.07 -1.26 0.12 116.25 120.51 2dd5 h VAL 121 Ca 0.38 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.46 2dd5 h VAL 121 Cb -0.12 3.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 2dd5 h VAL 121 CO -0.09 0.68 0.54 0.44 0.02 0.00 0.00 177.57 179.16 2dd5 h ASP 122 N -0.52 0.93 -0.45 0.57 3.32 -0.54 -0.98 116.42 118.75 2dd5 h ASP 122 Ca -0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2dd5 h ASP 122 Cb 1.44 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2dd5 h ASP 122 CO 0.11 0.67 0.00 0.29 -1.72 0.00 0.00 179.24 178.59 2dd5 n LYS 123 N -4.42 2.44 -2.60 3.56 5.02 -0.60 -4.94 118.16 116.62 2dd5 n LYS 123 Ca 0.09 -1.78 -0.20 0.00 -2.02 0.00 0.00 58.31 54.40 2dd5 n LYS 123 Cb 0.04 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2dd5 n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dd5 n GLN 124 N 0.77 -2.64 0.15 1.97 6.02 -0.37 -4.87 117.38 118.41 2dd5 n GLN 124 Ca 0.16 0.91 0.04 0.00 -0.01 0.00 0.00 57.00 58.10 2dd5 n GLN 124 Cb 0.51 -5.62 0.10 0.00 1.02 0.00 0.00 30.24 26.25 2dd5 n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dd5 h PHE 125 N -0.39 0.00 -3.82 1.08 0.04 -1.02 -3.44 116.94 109.39 2dd5 h PHE 125 Ca -0.47 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.12 2dd5 h PHE 125 Cb 1.34 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.27 2dd5 h PHE 125 CO 0.58 0.45 -0.65 0.14 -0.60 0.00 0.00 178.31 178.22 2dd5 s VAL 126 N -3.09 0.08 0.52 -0.55 -7.23 -0.89 -5.03 120.40 104.22 2dd5 s VAL 126 Ca 0.03 -0.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2dd5 s VAL 126 Cb 0.08 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.72 2dd5 s VAL 126 CO 0.73 -0.39 0.87 0.42 -0.31 0.00 0.00 175.10 176.42 2dd5 s THR 127 N -1.18 4.83 0.45 5.32 -4.23 -1.26 -4.14 115.64 115.44 2dd5 s THR 127 Ca -0.13 0.46 0.13 0.00 -1.18 0.00 0.00 61.69 60.97 2dd5 s THR 127 Cb -0.08 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 70.11 2dd5 s THR 127 CO -0.00 -0.93 2.02 0.25 -0.54 0.00 0.00 174.62 175.41 2dd5 h LEU 128 N 0.10 0.09 -0.48 4.79 5.85 -1.96 -1.62 115.31 122.08 2dd5 h LEU 128 Ca -0.46 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2dd5 h LEU 128 Cb 1.20 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2dd5 h LEU 128 CO 0.62 0.20 0.24 0.74 -0.34 0.00 0.00 178.44 179.89 2dd5 h THR 129 N 0.09 1.18 -0.75 1.05 2.02 -1.99 0.47 112.91 115.00 2dd5 h THR 129 Ca 0.02 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2dd5 h THR 129 Cb 0.23 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2dd5 h THR 129 CO 0.01 0.20 0.34 -0.33 0.37 0.00 0.00 175.52 176.12 2dd5 h GLU 130 N 0.63 1.08 -0.08 6.66 5.08 -1.69 0.54 114.58 126.79 2dd5 h GLU 130 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dd5 h GLU 130 Cb 0.10 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2dd5 h GLU 130 CO -0.02 0.85 -0.01 1.25 -1.00 0.00 0.00 179.01 180.07 2dd5 h LEU 131 N 1.07 0.16 -0.87 1.33 5.85 -0.89 -1.21 115.31 120.76 2dd5 h LEU 131 Ca 0.26 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2dd5 h LEU 131 Cb 0.14 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2dd5 h LEU 131 CO -0.03 0.48 0.56 0.45 -0.34 0.00 0.00 178.44 179.56 2dd5 h HIS 132 N -0.16 1.06 -0.24 1.25 3.86 -0.70 -1.41 115.15 118.81 2dd5 h HIS 132 Ca 0.02 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 2dd5 h HIS 132 Cb 0.40 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2dd5 h HIS 132 CO 0.05 0.63 -0.36 -0.91 0.86 0.00 0.00 177.93 178.20 2dd5 h ASN 133 N 1.12 0.55 -0.50 2.45 2.35 -0.83 -2.04 115.58 118.68 2dd5 h ASN 133 Ca 0.34 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2dd5 h ASN 133 Cb -0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2dd5 h ASN 133 CO -0.10 0.87 -0.08 0.50 -1.65 0.00 0.00 177.43 176.97 2dd5 h LYS 134 N 0.45 0.97 -0.58 0.81 1.63 -0.72 -0.60 116.57 118.53 2dd5 h LYS 134 Ca 0.05 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.47 2dd5 h LYS 134 Cb 0.84 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 2dd5 h LYS 134 CO 0.07 1.00 0.19 0.82 -3.45 0.00 0.00 179.45 178.08 2dd5 h ILE 135 N 0.87 1.24 -0.34 2.00 2.04 -1.07 0.40 117.51 122.66 2dd5 h ILE 135 Ca 0.14 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2dd5 h ILE 135 Cb 0.62 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2dd5 h ILE 135 CO 0.04 0.30 0.20 0.58 0.00 0.00 0.00 178.15 179.27 2dd5 h VAL 136 N 0.81 1.12 -0.42 1.67 2.07 -1.10 -1.54 116.25 118.86 2dd5 h VAL 136 Ca 0.19 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2dd5 h VAL 136 Cb 0.27 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2dd5 h VAL 136 CO -0.01 0.12 0.26 -0.08 0.02 0.00 0.00 177.57 177.88 2dd5 h GLU 137 N 0.44 0.51 -0.32 1.57 4.81 -0.78 -1.75 114.58 119.07 2dd5 h GLU 137 Ca 0.12 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2dd5 h GLU 137 Cb 0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2dd5 h GLU 137 CO -0.02 0.34 0.15 0.52 -0.73 0.00 0.00 179.01 179.27 2dd5 h MET 138 N 0.52 0.31 -0.84 1.92 2.86 -0.64 0.12 114.93 119.19 2dd5 h MET 138 Ca 0.16 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2dd5 h MET 138 Cb -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2dd5 h MET 138 CO -0.07 0.21 0.44 0.00 1.06 0.00 0.00 176.91 178.55 2dd5 h ARG 139 N 0.32 1.18 -0.71 1.72 3.08 -1.12 -1.11 114.38 117.75 2dd5 h ARG 139 Ca 0.13 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2dd5 h ARG 139 Cb 0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2dd5 h ARG 139 CO -0.10 0.89 0.19 0.93 -1.07 0.00 0.00 179.97 180.82 2dd5 h GLU 140 N 1.18 1.12 -0.11 0.04 5.08 -0.94 0.60 114.58 121.55 2dd5 h GLU 140 Ca 0.29 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2dd5 h GLU 140 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2dd5 h GLU 140 CO -0.04 0.98 0.05 -0.09 -1.00 0.00 0.00 179.01 178.90 2dd5 h ARG 141 N 1.07 0.11 -0.10 2.33 2.43 -0.38 -0.01 114.38 119.83 2dd5 h ARG 141 Ca 0.23 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2dd5 h ARG 141 Cb 0.34 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2dd5 h ARG 141 CO -0.00 0.07 0.04 0.28 -1.51 0.00 0.00 179.97 178.85 2dd5 h VAL 142 N 0.11 1.14 0.00 0.20 2.07 -0.96 -3.08 116.25 115.73 2dd5 h VAL 142 Ca 0.04 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2dd5 h VAL 142 Cb 0.01 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2dd5 h VAL 142 CO -0.03 0.12 -0.14 0.00 0.02 0.00 0.00 177.57 177.54 2dd5 h ALA 143 N 0.89 1.63 0.00 1.67 0.00 -0.68 -2.75 119.26 120.02 2dd5 h ALA 143 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dd5 h ALA 143 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dd5 h ALA 143 CO -0.00 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.09 2dd5 h SER 144 N 0.00 0.00 0.00 0.00 4.64 -0.91 -3.47 113.55 113.81 2dd5 h SER 144 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dd5 h SER 144 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2dd5 h SER 144 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2dd5 n GLY 145 N 0.85 0.81 0.18 -0.77 0.00 -1.04 -4.96 105.19 100.26 2dd5 n GLY 145 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 2dd5 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd5 n GLN 146 N -2.10 1.20 0.00 1.61 10.64 -1.19 -4.59 117.38 122.95 2dd5 n GLN 146 Ca 0.00 -0.36 0.00 0.00 -1.83 0.00 0.00 57.00 54.81 2dd5 n GLN 146 Cb 0.00 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 27.89 2dd5 n GLN 146 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dd5 n GLY 147 N 1.09 -0.51 2.53 2.61 0.00 -1.26 -4.09 105.19 105.57 2dd5 n GLY 147 Ca 0.21 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 2dd5 n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dd5 s LEU 148 N -2.77 0.72 0.00 0.99 2.96 0.78 -4.47 118.68 116.88 2dd5 s LEU 148 Ca 0.00 -2.22 0.00 0.00 -0.22 0.00 0.00 54.13 51.69 2dd5 s LEU 148 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.61 2dd5 s LEU 148 CO 0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 2dd5 n GLY 149 N 3.77 2.22 0.01 7.98 0.00 -1.26 -1.11 105.19 116.80 2dd5 n GLY 149 Ca 0.16 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 46.13 2dd5 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dd5 n GLU 150 N 14.00 0.85 0.05 1.61 0.28 -1.26 -3.65 120.64 132.52 2dd5 n GLU 150 Ca 0.00 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 56.85 2dd5 n GLU 150 Cb 0.00 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.24 2dd5 n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dd5 h TYR 151 N 0.06 0.24 -2.35 -1.84 0.05 -1.56 -3.46 116.97 108.10 2dd5 h TYR 151 Ca 0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 2dd5 h TYR 151 Cb 0.09 -0.01 -0.25 0.00 1.01 0.00 0.00 36.73 37.58 2dd5 h TYR 151 CO 0.00 1.20 -0.26 -1.17 -1.05 0.00 0.00 178.16 176.87 2dd5 s LEU 152 N -6.74 -0.73 0.70 3.88 2.96 -1.05 -4.95 118.68 112.76 2dd5 s LEU 152 Ca -0.05 1.18 -0.12 0.00 -0.22 0.00 0.00 54.13 54.91 2dd5 s LEU 152 Cb 0.08 1.69 0.02 0.00 0.50 0.00 0.00 46.19 48.47 2dd5 s LEU 152 CO 0.84 -0.22 1.08 -2.16 -1.32 0.00 0.00 176.35 174.57 2dd5 s PRO 153 N 2.45 2.70 0.00 0.98 0.04 -1.26 -0.16 135.00 139.74 2dd5 s PRO 153 Ca -0.05 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.26 2dd5 s PRO 153 Cb -0.11 -1.95 0.60 0.00 0.04 0.00 0.00 34.50 33.07 2dd5 s PRO 153 CO -0.15 -1.30 1.04 -0.35 0.04 0.00 0.00 177.00 176.28