#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddk n TRP 16 N 0.00 0.00 0.02 0.54 2.14 -1.26 -4.99 117.44 113.89 2ddk n TRP 16 Ca 0.00 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.55 2ddk n TRP 16 Cb 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 2ddk n TRP 16 CO 0.00 0.00 0.00 1.49 2.07 0.00 0.00 177.69 181.25 2ddk h GLU 17 N 0.00 -0.13 -1.03 -2.67 4.57 -2.06 -2.68 114.58 110.58 2ddk h GLU 17 Ca 0.00 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.46 2ddk h GLU 17 Cb 0.00 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 28.50 2ddk h GLU 17 CO 0.00 -0.09 0.63 1.49 -1.18 0.00 0.00 179.01 179.86 2ddk h GLU 18 N -0.81 0.45 -0.11 1.92 4.81 -2.00 -1.62 114.58 117.24 2ddk h GLU 18 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2ddk h GLU 18 Cb 0.11 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2ddk h GLU 18 CO 0.02 0.30 -0.08 0.00 -0.73 0.00 0.00 179.01 178.52 2ddk h PHE 20 N -0.14 0.12 -0.06 0.00 3.04 -0.94 0.15 116.94 119.11 2ddk h PHE 20 Ca 0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2ddk h PHE 20 Cb 0.58 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 2ddk h PHE 20 CO 0.08 0.07 0.01 1.96 -2.02 0.00 0.00 178.31 178.41 2ddk h GLN 21 N 0.14 0.08 -0.22 1.11 1.08 -1.52 0.20 115.11 115.97 2ddk h GLN 21 Ca 0.05 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 2ddk h GLN 21 Cb 0.01 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2ddk h GLN 21 CO -0.03 0.08 -0.44 0.00 -0.95 0.00 0.00 178.83 177.48 2ddk h ALA 22 N 1.94 0.82 -0.17 3.87 0.00 -0.71 -0.94 119.26 124.07 2ddk h ALA 22 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2ddk h ALA 22 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2ddk h ALA 22 CO -0.00 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.99 2ddk h ALA 23 N 1.07 0.22 0.67 0.00 0.00 0.21 -2.24 119.26 119.20 2ddk h ALA 23 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ddk h ALA 23 Cb 0.95 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ddk h ALA 23 CO 0.08 -0.22 -0.32 0.28 0.00 0.00 0.00 179.25 179.08 2ddk h VAL 24 N 0.15 0.00 -0.89 0.00 2.07 -0.79 -0.47 116.25 116.31 2ddk h VAL 24 Ca 0.06 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.72 2ddk h VAL 24 Cb 0.12 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.73 2ddk h VAL 24 CO -0.01 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.35 2ddk n GLN 25 N -4.51 -0.09 -0.07 1.57 6.02 -0.37 -1.24 117.38 118.68 2ddk n GLN 25 Ca -0.11 1.39 -0.13 0.00 -0.01 0.00 0.00 57.00 58.13 2ddk n GLN 25 Cb 0.36 -2.07 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 2ddk n GLN 25 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ddk h LEU 26 N 0.00 0.55 -0.51 1.08 -0.00 -1.29 0.18 115.31 115.32 2ddk h LEU 26 Ca 0.42 -0.48 0.09 0.00 -0.00 0.00 0.00 57.88 57.90 2ddk h LEU 26 Cb 0.64 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.07 2ddk h LEU 26 CO -0.92 0.92 0.08 0.00 -0.00 0.00 0.00 178.44 178.53 2ddk h ALA 27 N 0.64 0.56 0.54 1.53 0.00 0.20 0.11 119.26 122.86 2ddk h ALA 27 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ddk h ALA 27 Cb 0.77 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ddk h ALA 27 CO 0.05 -0.32 -0.26 -0.07 0.00 0.00 0.00 179.25 178.65 2ddk h LEU 28 N 0.21 -0.62 -0.51 0.00 4.07 -1.11 0.94 115.31 118.30 2ddk h LEU 28 Ca 0.26 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.33 2ddk h LEU 28 Cb 0.36 0.16 -0.10 0.00 1.08 0.00 0.00 40.66 42.16 2ddk h LEU 28 CO -0.35 -0.44 -0.32 -0.09 -1.08 0.00 0.00 178.44 176.15 2ddk h ARG 29 N -0.73 -0.19 -0.52 1.13 9.65 -0.45 0.95 114.38 124.22 2ddk h ARG 29 Ca -0.07 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2ddk h ARG 29 Cb 0.56 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 2ddk h ARG 29 CO 0.12 -0.13 0.28 0.00 2.80 0.00 0.00 179.97 183.05 2ddk h ALA 30 N 0.91 0.67 -0.67 2.80 0.00 -0.77 0.42 119.26 122.62 2ddk h ALA 30 Ca 0.21 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2ddk h ALA 30 Cb 0.54 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2ddk h ALA 30 CO -0.61 -0.05 0.29 0.78 0.00 0.00 0.00 179.25 179.66 2ddk h GLY 31 N 0.55 0.98 0.81 0.00 0.00 0.45 -0.60 103.07 105.26 2ddk h GLY 31 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2ddk h GLY 31 CO -0.14 0.00 -0.41 1.46 0.00 0.00 0.00 176.54 177.45 2ddk h GLN 32 N 0.49 -1.08 -0.00 4.80 4.20 0.26 0.51 115.11 124.29 2ddk h GLN 32 Ca 0.34 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.12 2ddk h GLN 32 Cb 0.41 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2ddk h GLN 32 CO -0.30 -0.72 0.10 -0.84 -0.67 0.00 0.00 178.83 176.40 2ddk h ILE 33 N -1.12 0.00 0.04 2.54 -2.65 0.21 -1.86 117.51 114.68 2ddk h ILE 33 Ca -0.11 0.00 -0.14 0.00 1.03 0.00 0.00 64.86 65.64 2ddk h ILE 33 Cb 0.86 0.90 -0.01 0.00 -2.05 0.00 0.00 36.82 36.53 2ddk h ILE 33 CO 0.17 0.00 -0.71 0.40 0.03 0.00 0.00 178.15 178.04 2ddk h ILE 34 N 0.00 1.39 -1.00 0.16 2.04 -0.81 -3.15 117.51 116.13 2ddk h ILE 34 Ca 0.00 -2.35 0.15 0.00 1.00 0.00 0.00 64.86 63.66 2ddk h ILE 34 Cb 0.20 2.94 -0.09 0.00 -0.74 0.00 0.00 36.82 39.13 2ddk h ILE 34 CO -0.00 0.57 0.62 -0.09 0.00 0.00 0.00 178.15 179.25 2ddk h ARG 35 N -0.77 0.86 -0.27 2.37 2.43 -0.10 -0.45 114.38 118.46 2ddk h ARG 35 Ca -0.17 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 2ddk h ARG 35 Cb 1.32 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2ddk h ARG 35 CO -0.02 0.57 0.05 -0.22 -1.51 0.00 0.00 179.97 178.84 2ddk h LYS 36 N 0.89 0.44 -0.57 0.20 1.63 -1.56 -2.97 116.57 114.63 2ddk h LYS 36 Ca 0.52 -0.11 0.17 0.00 -0.85 0.00 0.00 60.65 60.37 2ddk h LYS 36 Cb 0.66 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 2ddk h LYS 36 CO -0.30 0.55 0.43 0.00 -3.45 0.00 0.00 179.45 176.68 2ddk h ALA 37 N 0.87 2.50 0.00 5.00 0.00 -1.05 -2.43 119.26 124.15 2ddk h ALA 37 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ddk h ALA 37 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ddk h ALA 37 CO 0.00 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.81 2ddk n LEU 38 N -4.25 0.03 -3.60 0.00 4.77 -0.91 -5.10 117.00 107.94 2ddk n LEU 38 Ca 0.11 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 2ddk n LEU 38 Cb 0.67 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2ddk n LEU 38 CO 0.36 0.01 0.57 0.41 -1.33 0.00 0.00 177.39 177.41 2ddk n THR 39 N -0.39 3.81 0.00 -5.08 -1.04 -0.92 -5.01 114.28 105.65 2ddk n THR 39 Ca 0.00 -5.58 0.00 0.00 -2.04 0.00 0.00 64.05 56.43 2ddk n THR 39 Cb 0.01 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 2ddk n THR 39 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2ddk n SER 49 N 0.82 0.00 -0.13 8.00 3.41 -1.26 -5.19 113.62 119.27 2ddk n SER 49 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2ddk n SER 49 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2ddk n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ddk n ALA 50 N -1.37 0.00 1.15 7.33 0.00 -1.26 -4.95 120.51 121.40 2ddk n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ddk n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ddk n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddk n ALA 51 N -3.00 2.20 0.29 0.00 0.00 -1.26 -3.63 120.51 115.10 2ddk n ALA 51 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2ddk n ALA 51 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2ddk n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ddk h ASP 52 N 0.12 -0.65 -0.15 0.00 3.32 -2.01 -3.25 116.42 113.80 2ddk h ASP 52 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2ddk h ASP 52 Cb 0.18 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2ddk h ASP 52 CO 0.00 -0.45 0.10 0.17 -1.72 0.00 0.00 179.24 177.34 2ddk h LEU 53 N -0.74 0.09 0.01 1.55 -0.00 -1.99 -2.89 115.31 111.34 2ddk h LEU 53 Ca -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2ddk h LEU 53 Cb 0.57 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2ddk h LEU 53 CO 0.11 0.07 -0.00 -0.37 -0.00 0.00 0.00 178.44 178.25 2ddk h VAL 54 N 0.11 1.18 -0.82 0.15 -1.51 -1.80 0.87 116.25 114.43 2ddk h VAL 54 Ca 0.06 -0.56 0.07 0.00 -1.23 0.00 0.00 66.70 65.04 2ddk h VAL 54 Cb 0.11 1.56 -0.05 0.00 -2.13 0.00 0.00 31.29 30.77 2ddk h VAL 54 CO -0.01 0.14 0.53 0.74 -1.23 0.00 0.00 177.57 177.75 2ddk h THR 55 N -0.25 1.03 0.20 7.19 2.02 -1.56 0.59 112.91 122.13 2ddk h THR 55 Ca -0.00 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2ddk h THR 55 Cb 0.25 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2ddk h THR 55 CO 0.00 0.16 -0.10 -0.33 0.37 0.00 0.00 175.52 175.63 2ddk h GLU 56 N 0.88 -0.26 -0.82 6.66 5.08 -1.26 -1.49 114.58 123.38 2ddk h GLU 56 Ca 0.36 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2ddk h GLU 56 Cb 0.26 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2ddk h GLU 56 CO -0.13 -0.10 0.35 1.15 -1.00 0.00 0.00 179.01 179.28 2ddk h THR 57 N -0.36 1.26 -0.82 1.13 2.02 0.55 0.81 112.91 117.50 2ddk h THR 57 Ca -0.03 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2ddk h THR 57 Cb 0.28 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2ddk h THR 57 CO 0.04 0.33 0.49 -0.78 0.37 0.00 0.00 175.52 175.98 2ddk h ASP 58 N 1.18 0.98 0.01 4.18 3.58 0.25 0.16 116.42 126.76 2ddk h ASP 58 Ca 0.28 -0.06 -0.26 0.00 0.42 0.00 0.00 57.03 57.41 2ddk h ASP 58 Cb 0.19 -0.25 0.02 0.00 1.72 0.00 0.00 39.33 41.01 2ddk h ASP 58 CO -0.03 0.75 -1.01 0.45 -2.88 0.00 0.00 179.24 176.52 2ddk h HIS 59 N 1.13 1.02 0.89 0.28 3.86 -0.74 -1.65 115.15 119.94 2ddk h HIS 59 Ca 0.29 -0.54 -0.04 0.00 -1.16 0.00 0.00 60.37 58.92 2ddk h HIS 59 Cb -0.05 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.31 2ddk h HIS 59 CO 0.00 1.38 -0.43 1.25 0.86 0.00 0.00 177.93 181.00 2ddk h LEU 60 N 0.40 -1.01 -0.37 2.43 6.46 -0.44 0.11 115.31 122.88 2ddk h LEU 60 Ca -0.12 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2ddk h LEU 60 Cb 1.66 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 41.78 2ddk h LEU 60 CO 0.20 -0.70 -0.10 0.58 -0.62 0.00 0.00 178.44 177.80 2ddk h VAL 61 N -1.25 0.62 -0.06 1.05 2.07 -0.80 1.00 116.25 118.88 2ddk h VAL 61 Ca -0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2ddk h VAL 61 Cb 0.92 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2ddk h VAL 61 CO 0.20 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.70 2ddk h GLU 62 N -0.00 0.00 -0.28 1.57 4.81 -1.24 0.43 114.58 119.87 2ddk h GLU 62 Ca 0.18 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 2ddk h GLU 62 Cb 0.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ddk h GLU 62 CO -0.39 0.00 -0.36 0.22 -0.73 0.00 0.00 179.01 177.75 2ddk h ASP 63 N 0.00 0.65 -0.12 1.04 3.58 -0.40 0.31 116.42 121.48 2ddk h ASP 63 Ca 0.03 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2ddk h ASP 63 Cb 0.05 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2ddk h ASP 63 CO -0.07 0.95 0.03 0.25 -2.88 0.00 0.00 179.24 177.53 2ddk h LEU 64 N 0.52 0.18 0.39 2.28 7.12 0.15 -2.21 115.31 123.74 2ddk h LEU 64 Ca 0.05 -0.21 -0.02 0.00 0.13 0.00 0.00 57.88 57.83 2ddk h LEU 64 Cb 0.86 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2ddk h LEU 64 CO 0.07 0.35 -0.19 0.40 -0.13 0.00 0.00 178.44 178.95 2ddk h ILE 65 N 0.01 0.50 -0.37 4.05 2.04 -0.05 -3.24 117.51 120.44 2ddk h ILE 65 Ca 0.04 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2ddk h ILE 65 Cb 0.23 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2ddk h ILE 65 CO -0.00 0.09 0.24 0.40 0.00 0.00 0.00 178.15 178.88 2ddk h ILE 66 N -0.91 1.10 0.00 -0.67 2.04 -1.02 -2.80 117.51 115.26 2ddk h ILE 66 Ca -0.05 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2ddk h ILE 66 Cb 0.55 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2ddk h ILE 66 CO 0.09 0.10 -0.11 0.77 0.00 0.00 0.00 178.15 179.00 2ddk h SER 67 N 0.50 0.00 0.20 1.72 4.64 -1.53 -0.77 113.55 118.31 2ddk h SER 67 Ca 0.14 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.18 2ddk h SER 67 Cb -0.05 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.07 2ddk h SER 67 CO -0.03 0.11 -1.25 -0.08 -0.87 0.00 0.00 176.83 174.71 2ddk h GLU 68 N 0.00 0.43 -0.62 4.77 4.81 -1.54 -2.97 114.58 119.46 2ddk h GLU 68 Ca -0.00 -0.73 -0.09 0.00 -0.13 0.00 0.00 59.36 58.40 2ddk h GLU 68 Cb 0.30 0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2ddk h GLU 68 CO 0.01 1.35 0.02 -0.07 -0.73 0.00 0.00 179.01 179.59 2ddk h LEU 69 N -0.07 1.05 -1.66 1.64 3.38 -1.23 0.37 115.31 118.79 2ddk h LEU 69 Ca -0.23 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2ddk h LEU 69 Cb 1.95 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2ddk h LEU 69 CO 0.21 1.09 -0.19 -0.09 0.09 0.00 0.00 178.44 179.55 2ddk h ARG 70 N 0.98 0.00 0.07 1.13 2.43 -1.26 0.54 114.38 118.26 2ddk h ARG 70 Ca 0.18 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 2ddk h ARG 70 Cb 0.54 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2ddk h ARG 70 CO 0.03 0.19 -0.68 1.49 -1.51 0.00 0.00 179.97 179.49 2ddk h GLU 71 N 0.00 0.33 -0.01 0.20 4.81 -1.18 -2.50 114.58 116.23 2ddk h GLU 71 Ca -0.00 -0.45 -0.19 0.00 -0.13 0.00 0.00 59.36 58.58 2ddk h GLU 71 Cb 0.36 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2ddk h GLU 71 CO 0.02 1.16 -0.84 0.00 -0.73 0.00 0.00 179.01 178.63 2ddk h ARG 72 N -0.27 0.25 -2.25 1.92 3.08 -0.68 -3.37 114.38 113.05 2ddk h ARG 72 Ca -0.10 -0.25 -0.59 0.00 0.07 0.00 0.00 59.98 59.11 2ddk h ARG 72 Cb 1.45 0.07 -0.40 0.00 0.08 0.00 0.00 29.97 31.17 2ddk h ARG 72 CO 0.13 0.95 -0.82 1.19 -1.07 0.00 0.00 179.97 180.35 2ddk n PHE 73 N -3.71 1.63 0.24 3.04 3.01 0.19 -4.96 117.46 116.90 2ddk n PHE 73 Ca -0.04 -3.86 0.02 0.00 1.01 0.00 0.00 57.45 54.58 2ddk n PHE 73 Cb 0.78 -0.40 0.12 0.00 -0.01 0.00 0.00 39.48 39.96 2ddk n PHE 73 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ddk n PRO 74 N 1.41 0.12 -0.00 -1.08 -0.04 -0.94 -1.89 135.00 132.57 2ddk n PRO 74 Ca 0.25 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2ddk n PRO 74 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2ddk n PRO 74 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ddk n SER 75 N -1.02 1.00 -4.78 3.54 3.41 -1.26 -5.01 113.62 109.50 2ddk n SER 75 Ca 0.03 -0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 57.90 2ddk n SER 75 Cb 0.01 1.41 0.03 0.00 -0.26 0.00 0.00 64.21 65.41 2ddk n SER 75 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ddk s HIS 76 N -2.86 2.71 0.33 7.33 3.76 -0.79 -4.89 115.29 120.89 2ddk s HIS 76 Ca -0.01 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.52 2ddk s HIS 76 Cb 0.11 -3.15 -0.02 0.00 1.11 0.00 0.00 32.58 30.62 2ddk s HIS 76 CO 0.68 -1.53 0.32 1.03 -0.85 0.00 0.00 174.74 174.39 2ddk s ARG 77 N -3.93 2.81 -0.02 1.40 1.81 -0.10 -4.99 118.95 115.94 2ddk s ARG 77 Ca 0.67 -1.23 0.02 0.00 -1.72 0.00 0.00 55.73 53.47 2ddk s ARG 77 Cb -0.20 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 2ddk s ARG 77 CO 0.38 0.11 -0.07 -0.06 -0.68 0.00 0.00 175.30 174.97 2ddk s PHE 78 N -2.27 0.72 -0.41 -0.53 0.08 -1.26 -0.36 117.98 113.95 2ddk s PHE 78 Ca 0.41 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.34 2ddk s PHE 78 Cb -0.07 -0.52 0.11 0.00 -0.57 0.00 0.00 43.02 41.98 2ddk s PHE 78 CO 0.27 -0.07 0.13 0.42 -0.10 0.00 0.00 175.22 175.88 2ddk s ILE 79 N 0.14 2.46 0.33 0.64 1.01 0.32 -4.93 121.20 121.17 2ddk s ILE 79 Ca -0.02 -2.67 0.05 0.00 0.00 0.00 0.00 60.65 58.02 2ddk s ILE 79 Cb -0.07 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2ddk s ILE 79 CO -0.00 -0.68 0.21 0.00 0.00 0.00 0.00 174.94 174.48 2ddk s ALA 80 N 0.50 2.05 0.18 9.38 0.00 -1.26 -1.60 121.76 131.00 2ddk s ALA 80 Ca 0.13 -1.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2ddk s ALA 80 Cb -0.21 1.27 0.07 0.00 0.00 0.00 0.00 23.12 24.24 2ddk s ALA 80 CO -0.05 -0.56 1.59 1.05 0.00 0.00 0.00 175.76 177.78 2ddk h GLU 81 N 2.12 0.95 -0.93 0.00 4.11 -1.98 -3.04 114.58 115.81 2ddk h GLU 81 Ca -0.29 -0.38 -0.20 0.00 0.07 0.00 0.00 59.36 58.55 2ddk h GLU 81 Cb 1.25 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 2ddk h GLU 81 CO 0.45 1.05 0.25 -1.91 0.07 0.00 0.00 179.01 178.92 2ddk n GLU 82 N -4.12 2.16 0.03 1.06 4.07 -1.26 -4.00 120.64 118.58 2ddk n GLU 82 Ca 0.01 -1.71 0.00 0.00 -0.06 0.00 0.00 57.16 55.40 2ddk n GLU 82 Cb 0.43 -1.74 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2ddk n GLU 82 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ddk n ALA 83 N -0.18 3.00 0.00 4.31 0.00 -1.21 -4.73 120.51 121.70 2ddk n ALA 83 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2ddk n ALA 83 Cb 1.04 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.75 2ddk n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddk n ALA 84 N -3.01 0.00 -0.10 0.00 0.00 -1.15 -2.73 120.51 113.52 2ddk n ALA 84 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 2ddk n ALA 84 Cb 0.21 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.99 2ddk n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddk n ALA 85 N -0.62 0.77 0.00 0.00 0.00 -1.26 -1.04 120.51 118.36 2ddk n ALA 85 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2ddk n ALA 85 Cb 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2ddk n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ddk n SER 86 N -3.06 0.00 0.00 0.00 3.41 -1.10 -4.85 113.62 108.02 2ddk n SER 86 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2ddk n SER 86 Cb 1.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 2ddk n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ddk n GLY 87 N 0.46 1.64 3.88 5.00 0.00 -0.21 -4.82 105.19 111.15 2ddk n GLY 87 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2ddk n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddk s ALA 88 N -1.13 3.53 0.00 4.61 0.00 -1.26 -4.96 121.76 122.55 2ddk s ALA 88 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2ddk s ALA 88 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2ddk s ALA 88 CO 0.00 0.34 0.00 1.63 0.00 0.00 0.00 175.76 177.73 2ddk n LYS 89 N -0.55 0.00 -2.18 0.00 4.01 -1.26 -4.97 118.16 113.20 2ddk n LYS 89 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ddk n LYS 89 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 2ddk n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ddk s VAL 91 N -2.48 4.94 -0.47 0.00 1.01 -1.26 -4.43 120.40 117.70 2ddk s VAL 91 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2ddk s VAL 91 Cb 0.00 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2ddk s VAL 91 CO 0.00 -0.80 0.91 -0.22 0.00 0.00 0.00 175.10 174.99 2ddk s LEU 92 N 2.44 4.05 0.00 3.92 2.96 -1.26 -5.04 118.68 125.76 2ddk s LEU 92 Ca 0.13 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2ddk s LEU 92 Cb -0.21 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2ddk s LEU 92 CO 0.10 -1.06 0.00 0.35 -1.32 0.00 0.00 176.35 174.42 2ddk n THR 93 N 6.36 0.00 0.52 3.68 -2.24 -1.26 -4.93 114.28 116.41 2ddk n THR 93 Ca 0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 2ddk n THR 93 Cb 0.48 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2ddk n THR 93 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ddk n HIS 94 N -0.00 0.00 -2.23 4.78 8.25 -1.26 -3.64 115.22 121.11 2ddk n HIS 94 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2ddk n HIS 94 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 2ddk n HIS 94 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddk s SER 95 N -1.74 5.38 -0.03 0.41 1.04 -1.26 -2.19 113.70 115.32 2ddk s SER 95 Ca 0.07 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.97 2ddk s SER 95 Cb 0.09 -1.63 -0.09 0.00 0.10 0.00 0.00 66.02 64.49 2ddk s SER 95 CO 0.36 -1.25 2.02 -0.81 0.98 0.00 0.00 173.24 174.54 2ddk n PRO 96 N -2.77 2.63 -4.83 4.02 -0.04 -1.26 -4.57 135.00 128.18 2ddk n PRO 96 Ca 0.06 0.93 -0.25 0.00 -0.04 0.00 0.00 63.50 64.19 2ddk n PRO 96 Cb 0.58 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.86 2ddk n PRO 96 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ddk s THR 97 N 5.23 1.37 -0.26 0.52 2.01 -0.56 -0.92 115.64 123.04 2ddk s THR 97 Ca 0.92 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2ddk s THR 97 Cb -0.44 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2ddk s THR 97 CO 0.42 0.39 0.10 0.26 -0.69 0.00 0.00 174.62 175.09 2ddk s TRP 98 N -0.33 3.11 -0.33 4.92 0.52 0.52 -0.88 118.94 126.47 2ddk s TRP 98 Ca 0.05 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 55.73 2ddk s TRP 98 Cb -0.07 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 2ddk s TRP 98 CO -0.00 -0.31 0.30 0.42 0.02 0.00 0.00 176.95 177.37 2ddk s ILE 99 N 1.64 5.23 0.07 2.03 -1.09 -0.01 -0.52 121.20 128.55 2ddk s ILE 99 Ca 0.06 -0.04 0.09 0.00 -2.23 0.00 0.00 60.65 58.54 2ddk s ILE 99 Cb -0.15 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2ddk s ILE 99 CO 0.05 -0.02 -0.26 -0.63 -1.23 0.00 0.00 174.94 172.86 2ddk s ILE 100 N 1.87 2.09 -0.36 2.92 -1.09 -0.63 -0.32 121.20 125.68 2ddk s ILE 100 Ca 0.09 -1.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.04 2ddk s ILE 100 Cb -0.17 -1.81 0.12 0.00 -1.58 0.00 0.00 42.46 39.02 2ddk s ILE 100 CO 0.11 0.25 0.18 -0.62 -1.23 0.00 0.00 174.94 173.63 2ddk s ASP 101 N -1.48 3.57 0.33 3.58 -1.08 -0.25 -4.43 116.67 116.91 2ddk s ASP 101 Ca 0.12 -2.10 0.07 0.00 -0.52 0.00 0.00 52.55 50.12 2ddk s ASP 101 Cb -0.10 -0.75 0.77 0.00 -1.46 0.00 0.00 42.92 41.38 2ddk s ASP 101 CO 0.03 -0.34 1.82 1.55 0.52 0.00 0.00 175.17 178.76 2ddk h PRO 102 N 7.36 0.72 -2.47 4.34 0.13 -1.90 -2.05 132.00 138.13 2ddk h PRO 102 Ca -0.05 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.74 2ddk h PRO 102 Cb 0.97 -0.16 -0.35 0.00 0.13 0.00 0.00 31.00 31.59 2ddk h PRO 102 CO 0.42 0.48 -0.61 0.42 -0.23 0.00 0.00 178.00 178.47 2ddk s ILE 103 N -5.77 -0.35 -0.21 -3.56 1.01 -1.26 -4.38 121.20 106.68 2ddk s ILE 103 Ca -0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 2ddk s ILE 103 Cb 0.23 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 2ddk s ILE 103 CO 0.80 -0.20 0.12 -0.62 0.00 0.00 0.00 174.94 175.04 2ddk s ASP 104 N 2.35 5.96 0.00 3.58 3.68 0.73 -4.35 116.67 128.61 2ddk s ASP 104 Ca 0.07 0.13 0.00 0.00 2.13 0.00 0.00 52.55 54.88 2ddk s ASP 104 Cb -0.16 -2.05 0.00 0.00 -1.45 0.00 0.00 42.92 39.26 2ddk s ASP 104 CO -0.12 0.13 0.00 0.61 0.13 0.00 0.00 175.17 175.92 2ddk n GLY 105 N 3.83 1.24 0.23 2.66 0.00 -1.26 -0.62 105.19 111.27 2ddk n GLY 105 Ca -0.16 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2ddk n GLY 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ddk h THR 106 N 0.00 0.83 -0.12 2.61 1.35 -1.84 0.13 112.91 115.86 2ddk h THR 106 Ca 0.00 -0.88 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 2ddk h THR 106 Cb 0.04 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2ddk h THR 106 CO 0.00 0.22 -0.21 0.00 -0.25 0.00 0.00 175.52 175.28 2ddk h ASN 108 N -0.05 0.89 -0.08 0.00 2.35 -1.67 -1.19 115.58 115.83 2ddk h ASN 108 Ca 0.01 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2ddk h ASN 108 Cb 0.78 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 2ddk h ASN 108 CO 0.05 0.55 -0.20 0.15 -1.65 0.00 0.00 177.43 176.33 2ddk h PHE 109 N 1.01 -0.53 -0.65 1.19 3.57 -0.52 0.27 116.94 121.28 2ddk h PHE 109 Ca 0.41 0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.06 2ddk h PHE 109 Cb 0.22 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.12 2ddk h PHE 109 CO -0.02 -0.28 0.13 0.28 -2.23 0.00 0.00 178.31 176.18 2ddk h VAL 110 N -0.28 0.58 -0.18 1.41 2.07 0.05 -1.57 116.25 118.34 2ddk h VAL 110 Ca 0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ddk h VAL 110 Cb 0.40 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2ddk h VAL 110 CO -0.25 0.04 0.00 1.41 0.02 0.00 0.00 177.57 178.80 2ddk n HIS 111 N -5.16 0.22 -1.93 1.57 8.25 -0.83 -4.91 115.22 112.44 2ddk n HIS 111 Ca 0.11 -0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2ddk n HIS 111 Cb 0.37 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 2ddk n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ddk n ARG 112 N 0.42 -1.12 -2.47 -0.41 5.12 0.41 -4.94 116.66 113.67 2ddk n ARG 112 Ca 0.16 0.84 -0.43 0.00 -1.93 0.00 0.00 57.85 56.50 2ddk n ARG 112 Cb 0.35 -5.09 -0.02 0.00 -1.16 0.00 0.00 32.46 26.55 2ddk n ARG 112 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2ddk s PHE 113 N -2.66 2.74 0.00 -1.55 2.19 0.68 -4.88 117.98 114.49 2ddk s PHE 113 Ca 0.00 0.87 0.00 0.00 0.33 0.00 0.00 56.93 58.13 2ddk s PHE 113 Cb 0.00 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.70 2ddk s PHE 113 CO 0.00 -1.53 0.14 -0.35 1.83 0.00 0.00 175.22 175.31 2ddk n PRO 114 N 7.44 0.00 -3.18 10.12 -0.04 -1.26 -4.38 135.00 143.70 2ddk n PRO 114 Ca 0.14 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2ddk n PRO 114 Cb 0.47 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 2ddk n PRO 114 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ddk n THR 115 N 1.97 -0.81 -4.21 0.52 -1.04 -1.26 -4.82 114.28 104.63 2ddk n THR 115 Ca 0.00 -2.79 -0.18 0.00 -2.04 0.00 0.00 64.05 59.05 2ddk n THR 115 Cb 0.00 -0.87 -0.12 0.00 -1.82 0.00 0.00 70.33 67.51 2ddk n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2ddk s VAL 116 N 0.16 0.96 0.22 12.58 -7.23 -1.26 -4.65 120.40 121.18 2ddk s VAL 116 Ca 0.32 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2ddk s VAL 116 Cb 0.05 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 2ddk s VAL 116 CO -0.15 -0.15 0.08 0.00 -0.31 0.00 0.00 175.10 174.56 2ddk s ALA 117 N -1.08 1.46 0.08 1.32 0.00 0.21 -2.18 121.76 121.57 2ddk s ALA 117 Ca -0.02 -1.74 0.10 0.00 0.00 0.00 0.00 51.96 50.29 2ddk s ALA 117 Cb -0.09 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2ddk s ALA 117 CO 0.01 -0.46 -0.26 0.08 0.00 0.00 0.00 175.76 175.14 2ddk s VAL 118 N -3.84 2.11 -0.05 0.00 1.01 -1.11 -0.20 120.40 118.32 2ddk s VAL 118 Ca 0.34 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2ddk s VAL 118 Cb 0.07 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ddk s VAL 118 CO 0.10 0.20 0.11 -0.55 0.00 0.00 0.00 175.10 174.96 2ddk s SER 119 N -1.63 0.06 -0.26 3.32 0.15 -0.77 -1.52 113.70 113.05 2ddk s SER 119 Ca 0.12 0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 2ddk s SER 119 Cb -0.10 0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 2ddk s SER 119 CO 0.04 -0.15 0.07 -0.63 1.20 0.00 0.00 173.24 173.76 2ddk s ILE 120 N 1.27 0.68 0.16 6.45 1.01 -0.81 -1.09 121.20 128.87 2ddk s ILE 120 Ca -0.08 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2ddk s ILE 120 Cb -0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2ddk s ILE 120 CO -0.05 -0.47 0.31 -0.83 0.00 0.00 0.00 174.94 173.90 2ddk s GLY 121 N 1.75 1.71 -0.04 6.18 0.00 0.57 -2.35 107.32 115.14 2ddk s GLY 121 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 2ddk s GLY 121 CO -0.19 -0.99 0.03 -0.12 0.00 0.00 0.00 173.10 171.83 2ddk s PHE 122 N -1.78 0.22 0.19 1.90 5.36 -0.49 -0.83 117.98 122.55 2ddk s PHE 122 Ca 0.35 0.09 0.10 0.00 -0.96 0.00 0.00 56.93 56.51 2ddk s PHE 122 Cb -0.11 -0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 42.07 2ddk s PHE 122 CO 0.29 -0.17 -0.16 0.00 -1.46 0.00 0.00 175.22 173.71 2ddk s ALA 123 N 1.56 2.75 -0.20 11.12 0.00 -0.06 0.11 121.76 137.04 2ddk s ALA 123 Ca -0.02 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 2ddk s ALA 123 Cb -0.13 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.50 2ddk s ALA 123 CO -0.03 0.45 0.57 0.54 0.00 0.00 0.00 175.76 177.30 2ddk s VAL 124 N -1.69 0.00 -1.60 0.00 0.11 0.35 -1.49 120.40 116.07 2ddk s VAL 124 Ca 0.23 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2ddk s VAL 124 Cb -0.08 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2ddk s VAL 124 CO 0.13 -0.01 0.39 0.54 -3.33 0.00 0.00 175.10 172.82 2ddk n ARG 125 N 2.64 -3.75 -2.54 1.54 1.74 -0.93 -1.45 116.66 113.92 2ddk n ARG 125 Ca -0.14 0.91 -0.19 0.00 -0.77 0.00 0.00 57.85 57.66 2ddk n ARG 125 Cb 0.56 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 2ddk n ARG 125 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ddk n GLN 126 N -3.67 -2.41 -4.15 5.56 7.27 -1.24 -4.96 117.38 113.79 2ddk n GLN 126 Ca -0.15 0.89 -0.16 0.00 0.07 0.00 0.00 57.00 57.65 2ddk n GLN 126 Cb 0.64 -5.48 -0.12 0.00 2.41 0.00 0.00 30.24 27.68 2ddk n GLN 126 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2ddk s GLU 127 N -5.14 0.66 -0.28 3.69 0.41 -0.53 -5.06 118.70 112.46 2ddk s GLU 127 Ca 0.08 -0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 53.61 2ddk s GLU 127 Cb -0.04 -0.55 -0.01 0.00 -1.78 0.00 0.00 34.13 31.76 2ddk s GLU 127 CO 0.10 0.12 1.37 -0.51 -0.49 0.00 0.00 175.26 175.86 2ddk s LEU 128 N -1.39 3.89 -0.12 1.80 1.43 -1.26 -0.50 118.68 122.53 2ddk s LEU 128 Ca -0.05 1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 54.30 2ddk s LEU 128 Cb -0.09 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2ddk s LEU 128 CO 0.01 -1.12 -0.10 -0.08 0.23 0.00 0.00 176.35 175.29 2ddk h GLU 129 N 9.61 0.00 -3.67 1.70 4.57 0.42 -3.42 114.58 123.78 2ddk h GLU 129 Ca -0.28 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.74 2ddk h GLU 129 Cb 1.11 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.48 2ddk h GLU 129 CO 1.03 0.00 -0.58 -0.59 -1.18 0.00 0.00 179.01 177.68 2ddk s PHE 130 N -1.94 0.09 0.12 0.92 -0.71 -1.05 0.25 117.98 115.66 2ddk s PHE 130 Ca -0.09 -0.20 0.10 0.00 -1.04 0.00 0.00 56.93 55.71 2ddk s PHE 130 Cb 0.01 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 2ddk s PHE 130 CO 0.13 -0.21 -0.24 0.20 -1.34 0.00 0.00 175.22 173.75 2ddk s GLY 131 N -1.15 1.61 -0.30 1.99 0.00 -0.23 -1.40 107.32 107.84 2ddk s GLY 131 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2ddk s GLY 131 CO 0.00 -1.41 0.32 0.14 0.00 0.00 0.00 173.10 172.16 2ddk s VAL 132 N -1.08 -0.41 -0.14 1.40 1.01 -0.99 -0.54 120.40 119.64 2ddk s VAL 132 Ca 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2ddk s VAL 132 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2ddk s VAL 132 CO 0.07 -0.47 -0.06 -0.63 0.00 0.00 0.00 175.10 174.01 2ddk s ILE 133 N 2.21 3.68 -0.20 2.22 1.01 0.57 -1.93 121.20 128.77 2ddk s ILE 133 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2ddk s ILE 133 Cb -0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2ddk s ILE 133 CO -0.27 0.51 -0.07 -0.47 0.00 0.00 0.00 174.94 174.64 2ddk s TYR 134 N 0.28 2.92 -0.75 3.97 6.04 -0.58 -0.08 117.35 129.16 2ddk s TYR 134 Ca -0.05 -0.91 -0.25 0.00 0.04 0.00 0.00 57.07 55.90 2ddk s TYR 134 Cb -0.14 -2.04 0.04 0.00 -1.04 0.00 0.00 41.96 38.78 2ddk s TYR 134 CO 0.04 -0.48 1.22 -1.58 -1.54 0.00 0.00 175.55 173.20 2ddk s HIS 135 N 1.22 2.42 0.12 4.97 5.65 0.23 -2.74 115.29 127.16 2ddk s HIS 135 Ca 0.02 -0.27 -0.26 0.00 0.25 0.00 0.00 55.06 54.80 2ddk s HIS 135 Cb -0.14 -4.55 -0.08 0.00 -1.18 0.00 0.00 32.58 26.63 2ddk s HIS 135 CO -0.02 -1.95 1.44 0.00 -0.65 0.00 0.00 174.74 173.56 2ddk h THR 137 N -0.20 1.34 0.00 0.00 1.35 -1.88 -3.15 112.91 110.38 2ddk h THR 137 Ca 0.09 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2ddk h THR 137 Cb 0.43 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2ddk h THR 137 CO -0.59 0.32 0.00 -0.62 -0.25 0.00 0.00 175.52 174.37 2ddk n GLU 138 N -4.73 0.96 -2.74 4.72 1.02 -1.20 -4.88 120.64 113.80 2ddk n GLU 138 Ca -0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 2ddk n GLU 138 Cb 0.28 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.64 2ddk n GLU 138 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ddk n GLU 139 N -0.55 -2.65 -3.02 3.49 1.02 -0.25 -4.91 120.64 113.76 2ddk n GLU 139 Ca 0.02 0.28 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 2ddk n GLU 139 Cb 0.01 -4.85 -0.06 0.00 -0.02 0.00 0.00 31.44 26.53 2ddk n GLU 139 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ddk s ARG 140 N -5.31 4.14 -0.44 3.49 1.81 -1.05 -4.90 118.95 116.70 2ddk s ARG 140 Ca 0.11 0.70 -0.07 0.00 -1.72 0.00 0.00 55.73 54.75 2ddk s ARG 140 Cb -0.06 -3.65 0.10 0.00 -0.45 0.00 0.00 34.95 30.89 2ddk s ARG 140 CO 0.14 -0.45 0.27 -1.17 -0.68 0.00 0.00 175.30 173.41 2ddk s LEU 141 N 2.62 5.38 -0.05 2.53 1.98 -1.26 0.78 118.68 130.67 2ddk s LEU 141 Ca 0.30 -1.82 -0.13 0.00 -2.89 0.00 0.00 54.13 49.58 2ddk s LEU 141 Cb -0.15 -1.95 -0.05 0.00 0.66 0.00 0.00 46.19 44.70 2ddk s LEU 141 CO 0.08 -0.60 0.35 -0.31 -1.89 0.00 0.00 176.35 173.98 2ddk s TYR 142 N 1.31 3.66 0.01 5.38 1.51 0.89 -2.25 117.35 127.88 2ddk s TYR 142 Ca 0.05 0.86 -0.05 0.00 -1.01 0.00 0.00 57.07 56.92 2ddk s TYR 142 Cb -0.24 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 2ddk s TYR 142 CO -0.01 0.59 0.09 0.95 -1.11 0.00 0.00 175.55 176.06 2ddk s THR 143 N -0.80 0.10 0.00 -0.71 -4.23 -0.79 -0.31 115.64 108.90 2ddk s THR 143 Ca 0.21 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 2ddk s THR 143 Cb -0.15 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.20 2ddk s THR 143 CO 0.10 -0.46 0.16 -0.83 -0.54 0.00 0.00 174.62 173.06 2ddk s GLY 144 N -1.57 0.02 -0.14 3.99 0.00 0.30 -1.23 107.32 108.68 2ddk s GLY 144 Ca -0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.44 2ddk s GLY 144 CO -0.00 -0.23 0.32 0.50 0.00 0.00 0.00 173.10 173.68 2ddk s ARG 145 N -1.44 0.26 -0.47 2.90 0.52 -1.21 -1.06 118.95 118.45 2ddk s ARG 145 Ca -0.14 0.73 -0.46 0.00 -0.52 0.00 0.00 55.73 55.34 2ddk s ARG 145 Cb -0.07 -0.00 -0.19 0.00 0.52 0.00 0.00 34.95 35.20 2ddk s ARG 145 CO 0.02 -0.20 1.63 -2.13 0.02 0.00 0.00 175.30 174.64 2ddk n ARG 146 N 4.69 0.17 -0.39 3.54 0.63 0.14 0.15 116.66 125.58 2ddk n ARG 146 Ca -0.18 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2ddk n ARG 146 Cb 0.52 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.84 2ddk n ARG 146 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ddk n GLY 147 N 4.11 0.76 1.10 5.14 0.00 -1.26 -4.82 105.19 110.22 2ddk n GLY 147 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 2ddk n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ddk n ARG 148 N -2.00 3.35 -0.16 1.61 5.12 0.12 -5.09 116.66 119.61 2ddk n ARG 148 Ca 0.00 -2.86 0.02 0.00 -1.93 0.00 0.00 57.85 53.08 2ddk n ARG 148 Cb 0.00 -1.90 -0.01 0.00 -1.16 0.00 0.00 32.46 29.39 2ddk n ARG 148 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ddk n GLY 149 N -0.16 -2.48 3.50 -0.13 0.00 -1.23 -4.80 105.19 99.90 2ddk n GLY 149 Ca 0.22 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 2ddk n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddk s ALA 150 N -2.81 2.75 0.17 4.61 0.00 -0.98 -3.33 121.76 122.17 2ddk s ALA 150 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2ddk s ALA 150 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2ddk s ALA 150 CO 0.00 0.55 0.05 -0.06 0.00 0.00 0.00 175.76 176.30 2ddk s PHE 151 N -0.72 1.11 -0.20 0.00 0.08 -0.37 0.54 117.98 118.43 2ddk s PHE 151 Ca 0.11 -1.18 -0.04 0.00 0.12 0.00 0.00 56.93 55.95 2ddk s PHE 151 Cb -0.11 -0.62 0.09 0.00 -0.57 0.00 0.00 43.02 41.81 2ddk s PHE 151 CO 0.01 -0.41 0.23 0.00 -0.10 0.00 0.00 175.22 174.95 2ddk n ASN 153 N 5.32 -1.80 0.00 0.00 3.02 -0.95 -1.37 115.26 119.49 2ddk n ASN 153 Ca -0.05 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 2ddk n ASN 153 Cb 0.50 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 2ddk n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ddk n GLY 154 N -1.74 2.65 3.73 7.41 0.00 -1.26 -5.02 105.19 110.96 2ddk n GLY 154 Ca -0.13 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2ddk n GLY 154 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ddk s GLN 155 N 0.00 4.21 0.15 1.61 -0.44 -0.47 -4.97 119.66 119.76 2ddk s GLN 155 Ca 0.00 2.39 -0.30 0.00 -2.50 0.00 0.00 55.36 54.95 2ddk s GLN 155 Cb 0.00 -3.11 -0.07 0.00 -1.64 0.00 0.00 33.01 28.20 2ddk s GLN 155 CO 0.00 -0.54 0.98 0.50 0.50 0.00 0.00 175.29 176.72 2ddk s ARG 156 N 0.22 4.72 0.20 1.67 3.52 -1.26 -0.42 118.95 127.59 2ddk s ARG 156 Ca 0.65 1.50 -0.07 0.00 -0.13 0.00 0.00 55.73 57.68 2ddk s ARG 156 Cb -0.44 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.55 2ddk s ARG 156 CO 0.39 0.25 0.47 -0.51 -0.81 0.00 0.00 175.30 175.10 2ddk s LEU 157 N -0.30 4.20 -0.24 -0.88 1.02 0.19 -4.88 118.68 117.79 2ddk s LEU 157 Ca 0.46 0.74 -0.16 0.00 0.02 0.00 0.00 54.13 55.20 2ddk s LEU 157 Cb -0.25 -3.49 0.07 0.00 0.02 0.00 0.00 46.19 42.54 2ddk s LEU 157 CO 0.31 -0.03 0.60 -0.60 0.02 0.00 0.00 176.35 176.65 2ddk s ARG 158 N -2.84 0.63 0.72 1.70 6.06 -1.22 -4.60 118.95 119.41 2ddk s ARG 158 Ca 0.44 1.02 -0.12 0.00 -2.50 0.00 0.00 55.73 54.57 2ddk s ARG 158 Cb -0.12 0.15 0.03 0.00 0.06 0.00 0.00 34.95 35.08 2ddk s ARG 158 CO 0.24 -0.14 1.09 0.14 -2.50 0.00 0.00 175.30 174.13 2ddk s VAL 159 N 1.23 3.48 0.23 7.11 -7.23 -0.96 -3.73 120.40 120.53 2ddk s VAL 159 Ca -0.07 0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 60.55 2ddk s VAL 159 Cb -0.06 -3.08 0.20 0.00 0.56 0.00 0.00 36.38 34.00 2ddk s VAL 159 CO -0.13 -0.58 1.88 0.77 -0.31 0.00 0.00 175.10 176.73 2ddk h SER 160 N -0.73 1.03 -0.85 4.85 4.64 -1.80 -3.46 113.55 117.23 2ddk h SER 160 Ca -0.44 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2ddk h SER 160 Cb 1.23 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2ddk h SER 160 CO 0.53 0.78 -0.16 0.61 -0.87 0.00 0.00 176.83 177.72 2ddk n GLY 161 N -1.25 0.24 3.81 -0.77 0.00 -1.26 -5.00 105.19 100.95 2ddk n GLY 161 Ca 0.09 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2ddk n GLY 161 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ddk s GLU 162 N -4.02 4.18 0.00 1.61 -6.30 -1.26 -4.92 118.70 107.98 2ddk s GLU 162 Ca 0.00 1.22 0.00 0.00 -2.50 0.00 0.00 54.97 53.69 2ddk s GLU 162 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.87 2ddk s GLU 162 CO 0.00 -0.09 0.06 -2.37 0.02 0.00 0.00 175.26 172.89 2ddk n THR 163 N -0.53 0.00 -3.60 -1.70 5.66 -1.26 -4.23 114.28 108.61 2ddk n THR 163 Ca 0.07 -0.25 -0.40 0.00 -3.05 0.00 0.00 64.05 60.42 2ddk n THR 163 Cb 0.53 1.13 -0.11 0.00 -1.55 0.00 0.00 70.33 70.33 2ddk n THR 163 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ddk s ASP 164 N -0.36 5.73 0.00 1.09 2.15 -1.26 -4.38 116.67 119.63 2ddk s ASP 164 Ca 0.00 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.32 2ddk s ASP 164 Cb 0.00 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 2ddk s ASP 164 CO 0.00 -0.27 0.50 -0.11 -0.17 0.00 0.00 175.17 175.11 2ddk n LEU 165 N 5.02 0.00 0.01 -1.34 0.00 -1.26 -0.32 117.00 119.11 2ddk n LEU 165 Ca -0.13 0.11 0.11 0.00 0.00 0.00 0.00 56.01 56.10 2ddk n LEU 165 Cb 0.48 -0.11 0.10 0.00 0.00 0.00 0.00 43.42 43.89 2ddk n LEU 165 CO 0.36 -0.11 0.20 -1.54 0.00 0.00 0.00 177.39 176.30 2ddk n SER 166 N -1.00 0.65 -0.17 1.96 3.41 -1.24 -2.36 113.62 114.86 2ddk n SER 166 Ca 0.00 -0.37 0.02 0.00 -0.26 0.00 0.00 58.87 58.26 2ddk n SER 166 Cb 0.05 0.58 0.05 0.00 -0.26 0.00 0.00 64.21 64.62 2ddk n SER 166 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ddk n LYS 167 N -1.68 2.87 -2.68 4.33 5.02 0.56 -3.07 118.16 123.51 2ddk n LYS 167 Ca 0.04 -1.72 -0.43 0.00 -2.02 0.00 0.00 58.31 54.18 2ddk n LYS 167 Cb 0.37 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 2ddk n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddk s ALA 168 N -1.15 3.62 -0.46 7.82 0.00 -1.13 -4.79 121.76 125.68 2ddk s ALA 168 Ca 0.08 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 2ddk s ALA 168 Cb 0.05 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2ddk s ALA 168 CO 0.04 -1.18 0.68 -1.17 0.00 0.00 0.00 175.76 174.13 2ddk s LEU 169 N 3.31 4.54 0.01 0.00 0.20 -1.26 -2.77 118.68 122.71 2ddk s LEU 169 Ca 0.43 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2ddk s LEU 169 Cb -0.14 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 2ddk s LEU 169 CO 0.09 -0.85 0.06 -0.69 -0.29 0.00 0.00 176.35 174.67 2ddk s VAL 170 N 2.92 4.54 0.03 1.68 1.01 -0.61 -1.00 120.40 128.97 2ddk s VAL 170 Ca 0.22 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.77 2ddk s VAL 170 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2ddk s VAL 170 CO 0.18 0.32 -0.25 -0.76 0.00 0.00 0.00 175.10 174.59 2ddk s LEU 171 N -1.80 2.14 0.18 3.92 1.43 -0.07 0.20 118.68 124.68 2ddk s LEU 171 Ca 0.23 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2ddk s LEU 171 Cb -0.12 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2ddk s LEU 171 CO 0.14 0.25 0.43 0.28 0.23 0.00 0.00 176.35 177.69 2ddk s THR 172 N -0.75 0.05 0.06 5.49 -1.32 -0.54 -2.08 115.64 116.55 2ddk s THR 172 Ca 0.11 -0.94 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 2ddk s THR 172 Cb -0.10 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 2ddk s THR 172 CO 0.01 -0.21 -0.07 -0.70 -2.21 0.00 0.00 174.62 171.44 2ddk s GLU 173 N -3.89 0.61 -0.13 7.08 2.56 -1.26 -4.16 118.70 119.51 2ddk s GLU 173 Ca 0.11 -0.92 -0.06 0.00 0.00 0.00 0.00 54.97 54.10 2ddk s GLU 173 Cb 0.01 -0.26 -0.04 0.00 2.00 0.00 0.00 34.13 35.84 2ddk s GLU 173 CO -0.03 0.03 0.09 -1.50 -0.56 0.00 0.00 175.26 173.29 2ddk s ILE 174 N -2.02 5.09 1.44 -3.70 -1.16 -1.26 -4.80 121.20 114.79 2ddk s ILE 174 Ca -0.04 0.06 -0.22 0.00 -0.51 0.00 0.00 60.65 59.93 2ddk s ILE 174 Cb -0.06 -3.23 0.37 0.00 0.61 0.00 0.00 42.46 40.16 2ddk s ILE 174 CO -0.01 0.57 0.91 0.61 -2.81 0.00 0.00 174.94 174.21 2ddk n GLY 175 N 2.45 -3.60 0.14 1.50 0.00 -1.26 -4.92 105.19 99.49 2ddk n GLY 175 Ca -0.19 -1.62 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 2ddk n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddk h PRO 176 N -3.50 0.00 -7.15 1.61 0.13 -1.98 -3.46 132.00 117.65 2ddk h PRO 176 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2ddk h PRO 176 Cb 1.35 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.52 2ddk h PRO 176 CO 0.30 0.59 0.38 -1.59 -0.23 0.00 0.00 178.00 177.45 2ddk s LYS 177 N -3.56 3.53 -0.16 0.86 -2.85 -1.26 -5.08 119.74 111.22 2ddk s LYS 177 Ca -0.01 1.24 -0.03 0.00 -1.00 0.00 0.00 55.97 56.17 2ddk s LYS 177 Cb 0.12 -2.06 0.05 0.00 -2.06 0.00 0.00 37.83 33.88 2ddk s LYS 177 CO 0.75 -0.64 0.04 1.03 0.10 0.00 0.00 175.35 176.63 2ddk s ARG 178 N -3.79 0.51 -0.29 1.78 1.81 -1.26 -4.88 118.95 112.83 2ddk s ARG 178 Ca 0.65 -0.23 -0.21 0.00 -1.72 0.00 0.00 55.73 54.22 2ddk s ARG 178 Cb -0.16 -1.78 0.14 0.00 -0.45 0.00 0.00 34.95 32.70 2ddk s ARG 178 CO 0.31 -0.57 1.05 0.16 -0.68 0.00 0.00 175.30 175.57 2ddk s ASP 179 N 1.94 -0.43 0.20 0.23 1.47 -1.26 -5.02 116.67 113.80 2ddk s ASP 179 Ca 0.01 0.75 0.13 0.00 1.18 0.00 0.00 52.55 54.62 2ddk s ASP 179 Cb -0.16 0.94 0.69 0.00 -0.34 0.00 0.00 42.92 44.06 2ddk s ASP 179 CO -0.07 -0.12 0.77 -2.65 0.68 0.00 0.00 175.17 173.77 2ddk n PRO 180 N 2.79 -0.02 0.00 2.11 -0.02 -1.26 -1.75 135.00 136.84 2ddk n PRO 180 Ca -0.15 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2ddk n PRO 180 Cb 0.57 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2ddk n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddk n ALA 181 N -2.61 0.00 0.30 3.55 0.00 -1.26 -1.53 120.51 118.96 2ddk n ALA 181 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.66 2ddk n ALA 181 Cb 0.69 0.05 0.16 0.00 0.00 0.00 0.00 19.45 20.36 2ddk n ALA 181 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ddk n THR 182 N -0.37 1.02 -0.04 0.00 -1.04 -0.81 -3.36 114.28 109.69 2ddk n THR 182 Ca 0.00 0.26 -0.02 0.00 -2.04 0.00 0.00 64.05 62.25 2ddk n THR 182 Cb 0.00 -1.14 -0.01 0.00 -1.82 0.00 0.00 70.33 67.36 2ddk n THR 182 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ddk h LEU 183 N 0.00 0.00 -1.94 -4.42 5.85 -1.26 -3.24 115.31 110.30 2ddk h LEU 183 Ca 0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2ddk h LEU 183 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2ddk h LEU 183 CO 0.00 0.40 0.47 0.11 -0.34 0.00 0.00 178.44 179.09 2ddk h LYS 184 N -0.58 0.00 0.10 1.25 1.79 -1.32 0.80 116.57 118.61 2ddk h LYS 184 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2ddk h LYS 184 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2ddk h LYS 184 CO 0.00 0.00 -0.05 1.25 -1.08 0.00 0.00 179.45 179.57 2ddk h LEU 185 N 0.00 -0.12 -0.45 2.94 5.85 -1.72 -0.80 115.31 121.01 2ddk h LEU 185 Ca 0.20 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2ddk h LEU 185 Cb 1.14 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2ddk h LEU 185 CO -0.00 0.28 0.10 0.15 -0.34 0.00 0.00 178.44 178.64 2ddk h PHE 186 N -0.54 0.17 -0.38 1.25 3.04 -0.89 -0.81 116.94 118.78 2ddk h PHE 186 Ca -0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2ddk h PHE 186 Cb 0.44 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2ddk h PHE 186 CO 0.05 0.02 0.22 -0.07 -2.02 0.00 0.00 178.31 176.52 2ddk h LEU 187 N 0.25 0.47 -0.26 0.59 -0.00 -1.34 -0.06 115.31 114.96 2ddk h LEU 187 Ca 0.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2ddk h LEU 187 Cb 0.27 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2ddk h LEU 187 CO -0.27 0.41 0.15 0.77 -0.00 0.00 0.00 178.44 179.50 2ddk h SER 188 N 0.49 0.31 -0.80 -0.43 4.64 -0.68 0.37 113.55 117.46 2ddk h SER 188 Ca 0.14 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2ddk h SER 188 Cb 0.04 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 2ddk h SER 188 CO -0.02 0.28 0.50 0.78 -0.87 0.00 0.00 176.83 177.50 2ddk h ASN 189 N 0.32 0.94 -0.18 4.97 4.21 -1.03 0.32 115.58 125.13 2ddk h ASN 189 Ca 0.09 -0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.56 2ddk h ASN 189 Cb 0.03 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 2ddk h ASN 189 CO -0.02 0.72 0.09 -0.03 -1.29 0.00 0.00 177.43 176.90 2ddk h MET 190 N 1.09 0.19 -0.04 0.81 1.85 -0.50 -0.12 114.93 118.22 2ddk h MET 190 Ca 0.29 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.40 2ddk h MET 190 Cb -0.07 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.88 2ddk h MET 190 CO -0.06 0.13 -0.18 1.49 -0.40 0.00 0.00 176.91 177.89 2ddk h GLU 191 N 0.20 -0.26 -0.52 0.39 4.22 0.71 -0.19 114.58 119.13 2ddk h GLU 191 Ca 0.07 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.60 2ddk h GLU 191 Cb 0.01 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2ddk h GLU 191 CO -0.05 -0.17 0.20 0.00 -2.18 0.00 0.00 179.01 176.82 2ddk h ARG 192 N -0.27 0.38 -0.52 1.92 3.08 -0.06 0.52 114.38 119.44 2ddk h ARG 192 Ca 0.07 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 2ddk h ARG 192 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2ddk h ARG 192 CO -0.20 0.25 0.03 1.25 -1.07 0.00 0.00 179.97 180.23 2ddk h LEU 193 N 0.40 0.82 -0.53 3.04 5.85 -0.65 -1.76 115.31 122.47 2ddk h LEU 193 Ca 0.25 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2ddk h LEU 193 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2ddk h LEU 193 CO -0.24 0.87 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.29 2ddk h LEU 194 N 0.80 0.00 -0.54 2.25 3.38 -0.36 -3.10 115.31 117.73 2ddk h LEU 194 Ca 0.16 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2ddk h LEU 194 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2ddk h LEU 194 CO 0.02 0.37 0.34 -0.74 0.09 0.00 0.00 178.44 178.51 2ddk h HIS 195 N 0.00 0.63 -4.22 1.13 2.76 0.92 -3.40 115.15 112.97 2ddk h HIS 195 Ca -0.00 0.02 -0.49 0.00 -2.20 0.00 0.00 60.37 57.70 2ddk h HIS 195 Cb 1.07 -0.21 0.12 0.00 1.55 0.00 0.00 27.41 29.95 2ddk h HIS 195 CO 0.00 0.37 0.31 0.00 -1.30 0.00 0.00 177.93 177.31 2ddk s ALA 196 N -6.14 2.02 -0.02 5.26 0.00 -1.06 -4.88 121.76 116.94 2ddk s ALA 196 Ca -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 2ddk s ALA 196 Cb 0.13 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.94 2ddk s ALA 196 CO 0.74 -1.93 3.09 1.63 0.00 0.00 0.00 175.76 179.29 2ddk n LYS 197 N -3.58 1.71 -1.56 0.00 5.02 -1.26 -4.91 118.16 113.58 2ddk n LYS 197 Ca 0.07 -0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 55.20 2ddk n LYS 197 Cb 0.56 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 2ddk n LYS 197 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddk n ALA 198 N 2.11 1.19 0.00 7.82 0.00 -1.00 -3.73 120.51 126.90 2ddk n ALA 198 Ca 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2ddk n ALA 198 Cb 0.78 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2ddk n ALA 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2ddk n HIS 199 N 13.62 0.00 0.00 0.00 -0.00 -1.12 -4.71 115.22 123.01 2ddk n HIS 199 Ca 0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.54 2ddk n HIS 199 Cb 0.46 -0.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2ddk n HIS 199 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ddk n GLY 200 N -1.02 1.80 2.82 1.57 0.00 -1.12 -4.90 105.19 104.34 2ddk n GLY 200 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 2ddk n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ddk s VAL 201 N -2.00 -0.06 -0.02 1.61 0.11 -1.26 -1.58 120.40 117.21 2ddk s VAL 201 Ca 0.00 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 2ddk s VAL 201 Cb 0.00 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2ddk s VAL 201 CO 0.00 0.09 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.50 2ddk s ARG 202 N 1.14 1.87 -0.21 1.54 1.81 0.13 -4.96 118.95 120.27 2ddk s ARG 202 Ca -0.09 -0.84 -0.03 0.00 -1.72 0.00 0.00 55.73 53.06 2ddk s ARG 202 Cb -0.13 -1.82 0.07 0.00 -0.45 0.00 0.00 34.95 32.63 2ddk s ARG 202 CO -0.04 0.50 0.05 0.08 -0.68 0.00 0.00 175.30 175.21 2ddk s VAL 203 N -0.55 0.50 -1.17 3.52 1.01 -1.26 -1.46 120.40 120.99 2ddk s VAL 203 Ca 0.09 -0.65 0.12 0.00 0.00 0.00 0.00 61.98 61.53 2ddk s VAL 203 Cb -0.09 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2ddk s VAL 203 CO -0.01 -0.30 0.73 2.30 0.00 0.00 0.00 175.10 177.83 2ddk n ILE 204 N 5.05 0.00 -1.15 2.22 -5.35 -1.26 -5.00 119.36 113.86 2ddk n ILE 204 Ca -0.08 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2ddk n ILE 204 Cb 0.46 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 2ddk n ILE 204 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ddk n GLY 205 N 0.89 0.63 3.23 3.28 0.00 -1.26 -4.91 105.19 107.05 2ddk n GLY 205 Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.34 2ddk n GLY 205 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ddk s SER 206 N -2.77 -1.34 0.10 1.61 0.15 -1.26 -4.00 113.70 106.18 2ddk s SER 206 Ca 0.00 1.00 -0.04 0.00 0.70 0.00 0.00 55.95 57.60 2ddk s SER 206 Cb 0.00 2.19 -0.21 0.00 -1.71 0.00 0.00 66.02 66.29 2ddk s SER 206 CO 0.00 -0.25 1.20 0.77 1.20 0.00 0.00 173.24 176.16 2ddk h SER 207 N 8.00 0.46 0.14 5.45 4.64 -1.94 -1.02 113.55 129.28 2ddk h SER 207 Ca -0.22 -0.45 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 2ddk h SER 207 Cb 1.15 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ddk h SER 207 CO 0.23 1.31 -0.07 0.71 -0.87 0.00 0.00 176.83 178.14 2ddk h THR 208 N 0.12 0.93 -0.58 2.95 1.35 -1.97 0.55 112.91 116.27 2ddk h THR 208 Ca -0.12 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.38 2ddk h THR 208 Cb 1.83 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 2ddk h THR 208 CO 0.19 0.07 0.01 -0.07 -0.25 0.00 0.00 175.52 175.47 2ddk h LEU 209 N -0.32 0.96 -0.90 3.87 4.07 -1.95 -0.42 115.31 120.62 2ddk h LEU 209 Ca -0.02 -0.26 0.08 0.00 0.08 0.00 0.00 57.88 57.76 2ddk h LEU 209 Cb 0.26 -0.26 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 2ddk h LEU 209 CO 0.03 1.01 0.56 0.00 -1.08 0.00 0.00 178.44 178.96 2ddk h ALA 210 N 1.09 1.27 -0.31 1.53 0.00 -0.98 -1.60 119.26 120.26 2ddk h ALA 210 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2ddk h ALA 210 Cb 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ddk h ALA 210 CO 0.03 0.27 -0.33 -0.07 0.00 0.00 0.00 179.25 179.14 2ddk h LEU 211 N 0.98 0.82 -1.89 0.00 4.07 -0.34 -2.86 115.31 116.10 2ddk h LEU 211 Ca 0.41 -0.48 0.05 0.00 0.08 0.00 0.00 57.88 57.94 2ddk h LEU 211 Cb 0.26 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2ddk h LEU 211 CO -0.20 1.13 0.18 0.00 -1.08 0.00 0.00 178.44 178.47 2ddk h HIS 213 N 0.14 0.07 -0.24 0.00 3.86 -1.09 0.44 115.15 118.33 2ddk h HIS 213 Ca 0.12 -0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 2ddk h HIS 213 Cb 0.29 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2ddk h HIS 213 CO -0.00 0.52 -0.59 1.25 0.86 0.00 0.00 177.93 179.97 2ddk h LEU 214 N 0.05 0.87 -1.11 2.43 6.46 -0.94 -0.86 115.31 122.21 2ddk h LEU 214 Ca -0.00 -0.49 -0.08 0.00 -0.12 0.00 0.00 57.88 57.20 2ddk h LEU 214 Cb 0.85 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2ddk h LEU 214 CO 0.06 1.26 -0.37 0.00 -0.62 0.00 0.00 178.44 178.78 2ddk h ALA 215 N 0.75 1.11 0.00 1.25 0.00 -0.70 -2.95 119.26 118.72 2ddk h ALA 215 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ddk h ALA 215 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ddk h ALA 215 CO 0.12 0.46 -0.61 0.66 0.00 0.00 0.00 179.25 179.88 2ddk h SER 216 N 0.00 0.00 0.00 0.00 4.64 -0.78 -3.22 113.55 114.20 2ddk h SER 216 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2ddk h SER 216 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2ddk h SER 216 CO 0.05 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 2ddk n GLY 217 N 1.26 1.79 0.09 -0.77 0.00 -0.86 -4.44 105.19 102.26 2ddk n GLY 217 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2ddk n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddk n ALA 218 N -1.32 1.36 -2.55 4.61 0.00 -0.40 -4.48 120.51 117.72 2ddk n ALA 218 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2ddk n ALA 218 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 2ddk n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddk s ALA 219 N -3.26 -0.06 -0.16 0.00 0.00 -0.74 -4.94 121.76 112.61 2ddk s ALA 219 Ca 0.02 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.27 2ddk s ALA 219 Cb 0.07 0.60 -0.15 0.00 0.00 0.00 0.00 23.12 23.64 2ddk s ALA 219 CO 0.24 -0.54 -0.06 -0.25 0.00 0.00 0.00 175.76 175.15 2ddk n ASP 220 N -0.10 2.04 -4.05 0.00 8.00 -0.17 -4.39 116.55 117.89 2ddk n ASP 220 Ca -0.12 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.23 2ddk n ASP 220 Cb 0.63 0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 41.92 2ddk n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ddk s ALA 221 N -2.35 0.37 0.02 2.24 0.00 -1.20 -1.28 121.76 119.56 2ddk s ALA 221 Ca -0.16 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 2ddk s ALA 221 Cb 0.05 0.93 0.02 0.00 0.00 0.00 0.00 23.12 24.13 2ddk s ALA 221 CO 0.50 -0.61 0.29 -0.47 0.00 0.00 0.00 175.76 175.48 2ddk s TYR 222 N -4.02 -0.12 -0.18 0.00 5.04 0.10 -0.89 117.35 117.29 2ddk s TYR 222 Ca 0.22 0.06 -0.28 0.00 -2.44 0.00 0.00 57.07 54.63 2ddk s TYR 222 Cb 0.05 0.08 0.08 0.00 0.35 0.00 0.00 41.96 42.52 2ddk s TYR 222 CO 0.02 -0.45 0.78 1.52 -1.34 0.00 0.00 175.55 176.08 2ddk s TYR 223 N -2.09 -0.65 -0.21 4.97 -0.85 -0.88 -0.94 117.35 116.69 2ddk s TYR 223 Ca -0.08 1.37 -0.27 0.00 -0.52 0.00 0.00 57.07 57.56 2ddk s TYR 223 Cb -0.03 0.36 0.11 0.00 0.38 0.00 0.00 41.96 42.78 2ddk s TYR 223 CO -0.01 -0.44 0.94 -1.14 -1.52 0.00 0.00 175.55 173.39 2ddk s GLN 224 N -0.40 0.64 -0.07 -3.49 0.74 -0.85 -4.22 119.66 112.00 2ddk s GLN 224 Ca -0.04 0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.85 2ddk s GLN 224 Cb -0.03 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 2ddk s GLN 224 CO 0.03 -0.14 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.48 2ddk s PHE 225 N -0.35 2.84 0.00 1.67 0.08 -1.26 -1.63 117.98 119.33 2ddk s PHE 225 Ca -0.00 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2ddk s PHE 225 Cb -0.03 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2ddk s PHE 225 CO -0.01 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 2ddk n GLY 226 N 2.49 0.64 3.65 4.36 0.00 0.13 -4.67 105.19 111.79 2ddk n GLY 226 Ca -0.18 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2ddk n GLY 226 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ddk s LEU 227 N 0.00 4.11 0.56 0.99 0.05 -0.20 -4.89 118.68 119.31 2ddk s LEU 227 Ca 0.00 0.25 -0.19 0.00 0.05 0.00 0.00 54.13 54.24 2ddk s LEU 227 Cb 0.00 -2.27 -0.08 0.00 -2.05 0.00 0.00 46.19 41.79 2ddk s LEU 227 CO 0.00 -0.01 0.72 1.41 -0.55 0.00 0.00 176.35 177.92 2ddk n HIS 228 N 4.50 0.01 0.25 3.48 8.25 -1.26 -4.37 115.22 126.07 2ddk n HIS 228 Ca -0.12 0.46 0.12 0.00 -0.26 0.00 0.00 57.72 57.92 2ddk n HIS 228 Cb 0.52 -2.04 0.57 0.00 1.12 0.00 0.00 29.99 30.16 2ddk n HIS 228 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ddk h TRP 230 N 0.00 0.00 -0.00 0.00 0.09 -1.87 -1.17 115.95 113.01 2ddk h TRP 230 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2ddk h TRP 230 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.85 2ddk h TRP 230 CO 0.00 0.00 -0.07 -0.25 0.09 0.00 0.00 178.44 178.21 2ddk n ASP 231 N -2.97 0.13 0.00 0.11 8.00 -0.91 -4.10 116.55 116.81 2ddk n ASP 231 Ca 0.01 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2ddk n ASP 231 Cb 0.32 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2ddk n ASP 231 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ddk n LEU 232 N -1.33 0.58 0.14 0.64 -0.00 -0.54 -4.23 117.00 112.28 2ddk n LEU 232 Ca 0.11 -0.58 -0.06 0.00 -0.00 0.00 0.00 56.01 55.48 2ddk n LEU 232 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.69 2ddk n LEU 232 CO 0.26 0.15 0.33 0.00 -0.00 0.00 0.00 177.39 178.12 2ddk h ALA 233 N 0.00 -0.74 -0.01 1.47 0.00 -1.45 -1.85 119.26 116.68 2ddk h ALA 233 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ddk h ALA 233 Cb 0.43 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2ddk h ALA 233 CO 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 179.25 178.24 2ddk h ALA 234 N -1.68 -0.42 -1.05 0.00 0.00 -1.85 -1.75 119.26 112.52 2ddk h ALA 234 Ca -0.04 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.16 2ddk h ALA 234 Cb 0.29 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2ddk h ALA 234 CO 0.06 -0.81 0.74 0.00 0.00 0.00 0.00 179.25 179.25 2ddk h ALA 235 N 0.32 2.88 -0.09 0.00 0.00 -1.84 -1.95 119.26 118.57 2ddk h ALA 235 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2ddk h ALA 235 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ddk h ALA 235 CO -0.26 -1.19 -0.26 1.15 0.00 0.00 0.00 179.25 178.69 2ddk h THR 236 N 0.06 1.40 -0.53 0.00 2.02 -0.43 -1.66 112.91 113.78 2ddk h THR 236 Ca 0.51 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 66.17 2ddk h THR 236 Cb 1.92 2.18 -0.06 0.00 -1.74 0.00 0.00 68.15 70.46 2ddk h THR 236 CO -0.05 0.46 0.22 0.58 0.37 0.00 0.00 175.52 177.10 2ddk h VAL 237 N -0.12 0.86 -0.27 3.16 2.07 -1.27 -1.88 116.25 118.80 2ddk h VAL 237 Ca -0.01 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2ddk h VAL 237 Cb 0.87 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2ddk h VAL 237 CO 0.06 0.08 0.16 0.40 0.02 0.00 0.00 177.57 178.28 2ddk h ILE 238 N 0.42 1.11 -0.58 4.57 2.04 -1.45 0.21 117.51 123.82 2ddk h ILE 238 Ca 0.25 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2ddk h ILE 238 Cb 0.25 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2ddk h ILE 238 CO -0.23 0.10 0.29 0.40 0.00 0.00 0.00 178.15 178.71 2ddk h ILE 239 N 0.34 1.20 0.39 -0.67 2.04 -1.10 -2.39 117.51 117.33 2ddk h ILE 239 Ca 0.10 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2ddk h ILE 239 Cb 0.03 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ddk h ILE 239 CO -0.02 0.23 -0.19 0.03 0.00 0.00 0.00 178.15 178.20 2ddk h ARG 240 N 0.79 -0.51 0.00 2.37 3.08 -1.11 -0.27 114.38 118.73 2ddk h ARG 240 Ca 0.20 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2ddk h ARG 240 Cb 0.10 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2ddk h ARG 240 CO -0.03 -0.23 0.00 -1.91 -1.07 0.00 0.00 179.97 176.74 2ddk n GLU 241 N -5.23 0.04 -0.00 0.04 4.07 0.72 0.10 120.64 120.37 2ddk n GLU 241 Ca -0.10 0.23 0.09 0.00 -0.06 0.00 0.00 57.16 57.32 2ddk n GLU 241 Cb 0.28 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.03 2ddk n GLU 241 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ddk n ALA 242 N -1.25 3.86 0.00 4.31 0.00 -0.90 -2.32 120.51 124.21 2ddk n ALA 242 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2ddk n ALA 242 Cb 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2ddk n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ddk n GLY 243 N 1.43 1.50 3.96 0.00 0.00 0.11 -2.26 105.19 109.92 2ddk n GLY 243 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2ddk n GLY 243 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ddk s GLY 244 N -2.02 1.76 0.04 -0.02 0.00 -0.15 -4.90 107.32 102.04 2ddk s GLY 244 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 44.72 43.39 2ddk s GLY 244 CO 0.00 -0.76 -0.20 -0.26 0.00 0.00 0.00 173.10 171.88 2ddk s ILE 245 N -3.50 1.60 -0.18 0.90 -4.36 -1.06 -3.97 121.20 110.63 2ddk s ILE 245 Ca 0.69 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 2ddk s ILE 245 Cb -0.05 -1.40 0.03 0.00 1.25 0.00 0.00 42.46 42.30 2ddk s ILE 245 CO 0.48 0.19 -0.12 -0.69 0.24 0.00 0.00 174.94 175.05 2ddk s VAL 246 N -0.79 1.66 0.39 8.37 1.01 -1.26 -2.42 120.40 127.35 2ddk s VAL 246 Ca 0.07 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2ddk s VAL 246 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2ddk s VAL 246 CO 0.02 0.28 0.10 0.27 0.00 0.00 0.00 175.10 175.76 2ddk s ILE 247 N 1.41 0.84 0.67 2.22 -4.36 0.07 -4.35 121.20 117.71 2ddk s ILE 247 Ca 0.01 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 2ddk s ILE 247 Cb -0.15 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.07 2ddk s ILE 247 CO -0.09 0.00 1.05 -0.62 0.24 0.00 0.00 174.94 175.52 2ddk s ASP 248 N -3.58 5.56 0.55 4.36 -1.08 -0.28 -0.69 116.67 121.51 2ddk s ASP 248 Ca 0.27 1.60 0.28 0.00 -0.52 0.00 0.00 52.55 54.18 2ddk s ASP 248 Cb 0.05 -2.49 1.61 0.00 -1.46 0.00 0.00 42.92 40.63 2ddk s ASP 248 CO 0.14 -1.32 2.16 0.71 0.52 0.00 0.00 175.17 177.38 2ddk h THR 249 N -0.54 0.58 -0.00 1.71 1.35 -1.80 -0.10 112.91 114.10 2ddk h THR 249 Ca -0.44 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2ddk h THR 249 Cb 1.21 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2ddk h THR 249 CO 0.58 0.06 -0.01 -1.54 -0.25 0.00 0.00 175.52 174.35 2ddk n SER 250 N -3.79 0.02 0.00 5.36 3.41 -1.26 -4.62 113.62 112.73 2ddk n SER 250 Ca -0.02 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2ddk n SER 250 Cb 0.16 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2ddk n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ddk n GLY 251 N 1.47 1.31 0.00 5.00 0.00 -0.05 -4.99 105.19 107.93 2ddk n GLY 251 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ddk n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddk n GLY 252 N -1.95 -0.99 3.76 -0.02 0.00 -1.26 -4.70 105.19 100.03 2ddk n GLY 252 Ca 0.00 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2ddk n GLY 252 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ddk s PRO 253 N -2.38 3.46 0.35 1.61 0.04 -1.26 -1.13 135.00 135.68 2ddk s PRO 253 Ca 0.00 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2ddk s PRO 253 Cb 0.00 -2.35 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 2ddk s PRO 253 CO 0.00 -0.87 1.21 -0.11 0.04 0.00 0.00 177.00 177.27 2ddk n LEU 254 N -0.73 3.17 -3.70 -3.56 7.94 -1.26 -3.93 117.00 114.92 2ddk n LEU 254 Ca 0.09 1.18 -0.29 0.00 -1.11 0.00 0.00 56.01 55.87 2ddk n LEU 254 Cb 0.46 -1.44 -0.15 0.00 0.53 0.00 0.00 43.42 42.82 2ddk n LEU 254 CO 0.51 -0.77 -0.34 -0.62 -1.11 0.00 0.00 177.39 175.06 2ddk s ASP 255 N -0.42 3.77 0.65 1.96 3.68 -1.26 -4.89 116.67 120.16 2ddk s ASP 255 Ca 0.57 -1.44 0.30 0.00 2.13 0.00 0.00 52.55 54.11 2ddk s ASP 255 Cb -0.59 -0.74 1.60 0.00 -1.45 0.00 0.00 42.92 41.75 2ddk s ASP 255 CO 0.61 -0.40 1.92 -0.07 0.13 0.00 0.00 175.17 177.36 2ddk h LEU 256 N 8.17 0.00 0.00 -1.34 4.07 -1.92 0.39 115.31 124.68 2ddk h LEU 256 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2ddk h LEU 256 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2ddk h LEU 256 CO 0.44 0.00 -0.30 0.24 -1.08 0.00 0.00 178.44 177.75 2ddk h MET 257 N 0.00 0.00 0.00 1.13 2.86 -1.92 -3.33 114.93 113.67 2ddk h MET 257 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2ddk h MET 257 Cb 0.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2ddk h MET 257 CO -0.00 0.00 -0.22 0.00 1.06 0.00 0.00 176.91 177.75 2ddk h ALA 258 N 2.13 0.88 -3.86 6.32 0.00 -0.60 -3.48 119.26 120.64 2ddk h ALA 258 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 54.91 54.31 2ddk h ALA 258 Cb 0.94 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.73 2ddk h ALA 258 CO 0.00 0.27 -0.57 0.00 0.00 0.00 0.00 179.25 178.95 2ddk s ARG 260 N -5.45 0.83 0.01 0.00 1.70 -1.26 0.17 118.95 114.96 2ddk s ARG 260 Ca 0.19 -1.06 -0.29 0.00 -0.47 0.00 0.00 55.73 54.11 2ddk s ARG 260 Cb -0.09 0.31 0.10 0.00 -0.57 0.00 0.00 34.95 34.71 2ddk s ARG 260 CO 0.24 -0.25 0.97 0.54 -1.08 0.00 0.00 175.30 175.72 2ddk s VAL 261 N -3.89 0.00 -0.02 4.99 0.11 -0.65 -4.56 120.40 116.37 2ddk s VAL 261 Ca 0.08 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2ddk s VAL 261 Cb 0.05 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2ddk s VAL 261 CO -0.09 0.00 0.05 -0.69 -3.33 0.00 0.00 175.10 171.04 2ddk s VAL 262 N -3.03 -0.02 -0.11 2.04 1.01 0.13 -2.01 120.40 118.42 2ddk s VAL 262 Ca 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2ddk s VAL 262 Cb -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.33 2ddk s VAL 262 CO -0.05 0.03 0.22 0.00 0.00 0.00 0.00 175.10 175.30 2ddk s ALA 263 N 0.47 -0.43 0.40 5.51 0.00 -0.12 -0.75 121.76 126.85 2ddk s ALA 263 Ca -0.04 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.78 2ddk s ALA 263 Cb -0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 2ddk s ALA 263 CO -0.02 -0.47 0.10 0.00 0.00 0.00 0.00 175.76 175.36 2ddk n ALA 264 N 4.98 0.49 0.08 0.00 0.00 -1.02 0.03 120.51 125.07 2ddk n ALA 264 Ca -0.12 -1.96 0.11 0.00 0.00 0.00 0.00 53.44 51.47 2ddk n ALA 264 Cb 0.51 1.24 -0.06 0.00 0.00 0.00 0.00 19.45 21.14 2ddk n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ddk n SER 265 N -1.48 0.55 -4.17 0.00 3.41 -0.40 -2.57 113.62 108.95 2ddk n SER 265 Ca -0.09 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2ddk n SER 265 Cb 0.57 0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 65.40 2ddk n SER 265 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ddk s THR 266 N -3.41 0.96 0.29 6.66 -4.23 -1.26 -4.38 115.64 110.27 2ddk s THR 266 Ca -0.03 -1.57 0.33 0.00 -1.18 0.00 0.00 61.69 59.25 2ddk s THR 266 Cb 0.11 -1.28 0.36 0.00 1.34 0.00 0.00 72.50 73.03 2ddk s THR 266 CO 0.83 -0.50 2.06 -0.09 -0.54 0.00 0.00 174.62 176.39 2ddk h ARG 267 N 3.71 0.00 0.03 3.99 2.43 -1.94 -0.82 114.38 121.77 2ddk h ARG 267 Ca -0.38 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2ddk h ARG 267 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2ddk h ARG 267 CO 0.50 0.06 -0.01 1.49 -1.51 0.00 0.00 179.97 180.50 2ddk h GLU 268 N 0.00 -0.03 -0.58 0.20 4.81 -1.94 -1.92 114.58 115.11 2ddk h GLU 268 Ca -0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2ddk h GLU 268 Cb 0.40 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 2ddk h GLU 268 CO 0.01 0.66 0.13 0.52 -0.73 0.00 0.00 179.01 179.59 2ddk h MET 269 N -0.81 0.25 -0.29 1.92 2.86 -1.70 0.22 114.93 117.39 2ddk h MET 269 Ca -0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2ddk h MET 269 Cb 0.71 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 2ddk h MET 269 CO 0.01 0.17 0.03 0.00 1.06 0.00 0.00 176.91 178.17 2ddk h ALA 270 N 1.46 0.28 0.00 6.32 0.00 -1.17 -1.50 119.26 124.66 2ddk h ALA 270 Ca 0.30 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2ddk h ALA 270 Cb 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2ddk h ALA 270 CO -0.39 -0.38 -0.39 0.52 0.00 0.00 0.00 179.25 178.61 2ddk h MET 271 N 0.12 0.00 -0.06 0.00 2.86 -0.49 -2.55 114.93 114.81 2ddk h MET 271 Ca 0.14 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 2ddk h MET 271 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2ddk h MET 271 CO -0.21 0.39 -0.43 -0.07 1.06 0.00 0.00 176.91 177.66 2ddk h LEU 272 N 0.00 0.13 0.04 1.22 4.07 0.06 0.43 115.31 121.27 2ddk h LEU 272 Ca -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2ddk h LEU 272 Cb 0.99 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2ddk h LEU 272 CO 0.05 0.55 -0.02 0.40 -1.08 0.00 0.00 178.44 178.34 2ddk h ILE 273 N 0.11 1.35 0.00 1.22 1.08 -1.05 -2.72 117.51 117.50 2ddk h ILE 273 Ca 0.01 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 62.96 2ddk h ILE 273 Cb 0.80 2.31 -0.00 0.00 -3.07 0.00 0.00 36.82 36.86 2ddk h ILE 273 CO 0.06 0.37 -0.05 0.00 -0.69 0.00 0.00 178.15 177.84 2ddk h ALA 274 N 0.11 1.63 -0.41 1.87 0.00 -1.43 -0.94 119.26 120.09 2ddk h ALA 274 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2ddk h ALA 274 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ddk h ALA 274 CO 0.01 0.06 -0.00 0.37 0.00 0.00 0.00 179.25 179.69 2ddk h GLN 275 N 0.00 0.73 0.45 0.00 4.15 -0.86 -3.30 115.11 116.27 2ddk h GLN 275 Ca -0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 2ddk h GLN 275 Cb 0.11 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2ddk h GLN 275 CO 0.01 0.81 -0.22 0.00 -1.93 0.00 0.00 178.83 177.50 2ddk h ALA 276 N 0.89 -1.08 -2.26 3.38 0.00 -0.85 -3.45 119.26 115.88 2ddk h ALA 276 Ca 0.12 -0.13 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 2ddk h ALA 276 Cb 0.48 0.23 0.11 0.00 0.00 0.00 0.00 17.79 18.62 2ddk h ALA 276 CO 0.02 -1.04 0.35 -0.48 0.00 0.00 0.00 179.25 178.10 2ddk s LEU 277 N -6.81 2.68 0.00 0.00 0.05 -1.01 -4.94 118.68 108.64 2ddk s LEU 277 Ca -0.09 0.46 0.00 0.00 0.05 0.00 0.00 54.13 54.55 2ddk s LEU 277 Cb 0.01 -2.83 0.00 0.00 -2.05 0.00 0.00 46.19 41.31 2ddk s LEU 277 CO 0.26 -2.09 0.00 0.00 -0.55 0.00 0.00 176.35 173.97 2ddk n GLN 278 N -3.33 0.00 -2.09 1.48 6.02 -1.26 -4.77 117.38 113.42 2ddk n GLN 278 Ca 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ddk n GLN 278 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.87 2ddk n GLN 278 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2ddk n THR 279 N -1.82 0.00 -0.03 5.09 -2.24 -1.26 -4.52 114.28 109.50 2ddk n THR 279 Ca 0.00 -0.10 0.22 0.00 -2.27 0.00 0.00 64.05 61.90 2ddk n THR 279 Cb 0.00 0.16 0.71 0.00 -2.10 0.00 0.00 70.33 69.10 2ddk n THR 279 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2ddk h ILE 280 N 1.23 0.64 0.00 2.28 -2.65 -2.01 -3.51 117.51 113.49 2ddk h ILE 280 Ca -0.06 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.83 2ddk h ILE 280 Cb 0.27 0.68 0.00 0.00 -2.05 0.00 0.00 36.82 35.72 2ddk h ILE 280 CO 0.08 0.00 0.00 -0.46 0.03 0.00 0.00 178.15 177.80