#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn2 s LEU 2 N 0.00 4.04 0.84 1.34 1.02 -1.26 -5.04 118.68 119.62 2dn2 s LEU 2 Ca 0.00 1.33 -0.12 0.00 0.02 0.00 0.00 54.13 55.36 2dn2 s LEU 2 Cb 0.00 -3.54 0.10 0.00 0.02 0.00 0.00 46.19 42.77 2dn2 s LEU 2 CO 0.00 -0.81 1.11 -0.94 0.02 0.00 0.00 176.35 175.73 2dn2 s SER 3 N 1.74 4.07 0.34 2.29 1.04 -1.26 -4.83 113.70 117.09 2dn2 s SER 3 Ca 0.49 1.23 0.02 0.00 0.48 0.00 0.00 55.95 58.17 2dn2 s SER 3 Cb -0.16 -1.92 0.62 0.00 0.10 0.00 0.00 66.02 64.67 2dn2 s SER 3 CO 0.13 -2.23 1.99 -0.65 0.98 0.00 0.00 173.24 173.47 2dn2 h PRO 4 N -1.27 0.86 -0.11 4.02 0.11 -1.99 -0.51 132.00 133.11 2dn2 h PRO 4 Ca -0.48 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 2dn2 h PRO 4 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2dn2 h PRO 4 CO 0.59 0.57 -0.49 0.00 -0.21 0.00 0.00 178.00 178.47 2dn2 h ALA 5 N 1.58 0.98 -0.69 -0.75 0.00 -2.00 -0.98 119.26 117.41 2dn2 h ALA 5 Ca 0.26 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2dn2 h ALA 5 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2dn2 h ALA 5 CO -0.07 0.65 0.38 -0.44 0.00 0.00 0.00 179.25 179.77 2dn2 h ASP 6 N 0.22 0.86 -0.70 0.00 3.32 -1.61 -1.30 116.42 117.22 2dn2 h ASP 6 Ca 0.01 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2dn2 h ASP 6 Cb 0.94 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2dn2 h ASP 6 CO 0.08 0.71 0.24 0.11 -1.72 0.00 0.00 179.24 178.66 2dn2 h LYS 7 N 0.94 1.08 -0.77 3.56 1.57 -0.74 -0.57 116.57 121.66 2dn2 h LYS 7 Ca 0.24 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dn2 h LYS 7 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2dn2 h LYS 7 CO -0.04 0.91 0.48 1.15 -0.57 0.00 0.00 179.45 181.38 2dn2 h THR 8 N 1.05 1.21 -0.47 -0.16 2.02 -0.80 -1.89 112.91 113.87 2dn2 h THR 8 Ca 0.23 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 2dn2 h THR 8 Cb 0.26 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2dn2 h THR 8 CO -0.01 0.21 -0.06 0.78 0.37 0.00 0.00 175.52 176.81 2dn2 h ASN 9 N 1.04 0.86 -0.41 4.18 2.35 -0.73 -2.10 115.58 120.78 2dn2 h ASN 9 Ca 0.28 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 2dn2 h ASN 9 Cb -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 2dn2 h ASN 9 CO -0.05 0.99 0.06 0.58 -1.65 0.00 0.00 177.43 177.36 2dn2 h VAL 10 N 0.71 1.24 -0.47 2.81 2.07 -1.02 -1.76 116.25 119.83 2dn2 h VAL 10 Ca 0.13 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2dn2 h VAL 10 Cb 0.58 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2dn2 h VAL 10 CO 0.04 0.30 0.01 0.11 0.02 0.00 0.00 177.57 178.05 2dn2 h LYS 11 N 0.53 0.76 -0.29 1.57 1.57 -1.21 0.28 116.57 119.79 2dn2 h LYS 11 Ca 0.12 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2dn2 h LYS 11 Cb 0.38 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2dn2 h LYS 11 CO 0.01 0.77 -0.27 0.00 -0.57 0.00 0.00 179.45 179.39 2dn2 h ALA 12 N 1.29 0.42 -0.26 3.86 0.00 -1.27 -1.73 119.26 121.57 2dn2 h ALA 12 Ca 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2dn2 h ALA 12 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dn2 h ALA 12 CO 0.02 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 2dn2 h ALA 13 N 0.71 0.36 0.00 0.00 0.00 -1.07 -1.79 119.26 117.46 2dn2 h ALA 13 Ca 0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2dn2 h ALA 13 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dn2 h ALA 13 CO 0.07 0.10 -0.27 2.35 0.00 0.00 0.00 179.25 181.50 2dn2 h TRP 14 N 0.25 0.00 -0.24 0.00 2.91 -0.98 -1.58 115.95 116.31 2dn2 h TRP 14 Ca 0.07 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.96 2dn2 h TRP 14 Cb 0.44 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 2dn2 h TRP 14 CO 0.04 0.27 -0.40 0.78 -1.03 0.00 0.00 178.44 178.10 2dn2 h GLY 15 N 0.82 0.60 1.01 2.65 0.00 -1.07 -0.07 103.07 107.02 2dn2 h GLY 15 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2dn2 h GLY 15 CO 0.04 0.54 0.53 1.70 0.00 0.00 0.00 176.54 179.35 2dn2 h LYS 16 N 0.46 1.16 0.11 4.80 1.63 -0.81 -2.87 116.57 121.05 2dn2 h LYS 16 Ca 0.04 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2dn2 h LYS 16 Cb 0.89 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 2dn2 h LYS 16 CO 0.08 0.80 -0.13 0.28 -3.45 0.00 0.00 179.45 177.03 2dn2 h VAL 17 N 1.18 0.70 0.00 2.00 2.07 -0.31 -3.44 116.25 118.45 2dn2 h VAL 17 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2dn2 h VAL 17 Cb -0.07 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2dn2 h VAL 17 CO -0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.14 2dn2 n GLY 18 N -1.26 3.51 0.00 2.17 0.00 -0.14 -1.87 105.19 107.60 2dn2 n GLY 18 Ca -0.07 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2dn2 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn2 n ALA 19 N 11.32 2.13 1.23 4.61 0.00 -1.26 -2.38 120.51 136.15 2dn2 n ALA 19 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2dn2 n ALA 19 Cb 0.00 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.32 2dn2 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dn2 n HIS 20 N -1.50 0.27 -0.24 0.00 -0.00 -0.78 -4.49 115.22 108.48 2dn2 n HIS 20 Ca 0.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.72 57.64 2dn2 n HIS 20 Cb 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.39 2dn2 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dn2 h ALA 21 N 3.75 0.93 -0.52 -1.41 0.00 -1.63 -1.42 119.26 118.97 2dn2 h ALA 21 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2dn2 h ALA 21 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2dn2 h ALA 21 CO 0.00 0.04 0.20 0.78 0.00 0.00 0.00 179.25 180.27 2dn2 h GLY 22 N 0.68 0.84 0.98 0.00 0.00 -1.84 -0.21 103.07 103.52 2dn2 h GLY 22 Ca 0.32 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2dn2 h GLY 22 CO -0.20 0.44 0.26 -2.09 0.00 0.00 0.00 176.54 174.94 2dn2 h GLU 23 N 0.70 0.72 -0.18 4.80 4.57 -1.72 -1.66 114.58 121.82 2dn2 h GLU 23 Ca 0.17 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2dn2 h GLU 23 Cb 0.21 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2dn2 h GLU 23 CO -0.01 0.59 -0.26 1.88 -1.18 0.00 0.00 179.01 180.03 2dn2 h TYR 24 N 0.68 0.38 -0.54 0.92 0.99 -1.17 -0.41 116.97 117.82 2dn2 h TYR 24 Ca 0.18 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 2dn2 h TYR 24 Cb 0.09 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 2dn2 h TYR 24 CO -0.01 0.58 0.01 0.78 -0.00 0.00 0.00 178.16 179.51 2dn2 h GLY 25 N 1.01 1.02 1.18 3.88 0.00 -0.56 -0.08 103.07 109.52 2dn2 h GLY 25 Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2dn2 h GLY 25 CO 0.04 0.69 0.10 0.00 0.00 0.00 0.00 176.54 177.38 2dn2 h ALA 26 N 0.96 1.01 -0.69 3.60 0.00 -1.03 -1.91 119.26 121.21 2dn2 h ALA 26 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2dn2 h ALA 26 Cb 0.53 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2dn2 h ALA 26 CO 0.03 0.63 0.15 1.49 0.00 0.00 0.00 179.25 181.54 2dn2 h GLU 27 N 0.95 1.11 -0.87 0.00 4.81 -0.85 -1.27 114.58 118.46 2dn2 h GLU 27 Ca 0.19 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2dn2 h GLU 27 Cb 0.41 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2dn2 h GLU 27 CO 0.01 0.99 0.45 0.00 -0.73 0.00 0.00 179.01 179.74 2dn2 h ALA 28 N 1.07 1.17 -0.57 2.92 0.00 -0.76 0.19 119.26 123.28 2dn2 h ALA 28 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dn2 h ALA 28 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dn2 h ALA 28 CO 0.01 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 180.00 2dn2 h LEU 29 N 1.22 0.85 -0.70 0.00 3.38 -1.07 -0.74 115.31 118.24 2dn2 h LEU 29 Ca 0.30 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2dn2 h LEU 29 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2dn2 h LEU 29 CO -0.04 0.85 0.17 -0.08 0.09 0.00 0.00 178.44 179.42 2dn2 h GLU 30 N 0.81 1.12 -1.00 1.13 4.81 -0.71 0.09 114.58 120.83 2dn2 h GLU 30 Ca 0.18 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2dn2 h GLU 30 Cb 0.32 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2dn2 h GLU 30 CO -0.00 1.00 0.66 0.00 -0.73 0.00 0.00 179.01 179.93 2dn2 h ARG 31 N 1.06 1.26 -0.29 1.92 3.08 -0.75 -1.97 114.38 118.69 2dn2 h ARG 31 Ca 0.22 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2dn2 h ARG 31 Cb 0.38 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2dn2 h ARG 31 CO 0.00 0.83 0.06 1.98 -1.07 0.00 0.00 179.97 181.77 2dn2 h MET 32 N 1.30 0.47 -0.19 0.04 4.05 -0.30 0.33 114.93 120.62 2dn2 h MET 32 Ca 0.39 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2dn2 h MET 32 Cb -0.05 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 2dn2 h MET 32 CO -0.11 0.57 -0.15 0.74 0.23 0.00 0.00 176.91 178.19 2dn2 h PHE 33 N 0.30 0.34 0.24 1.39 0.04 -0.79 0.11 116.94 118.57 2dn2 h PHE 33 Ca 0.09 -0.05 -0.33 0.00 2.80 0.00 0.00 57.97 60.48 2dn2 h PHE 33 Cb 0.31 -0.09 0.04 0.00 2.20 0.00 0.00 35.95 38.41 2dn2 h PHE 33 CO 0.02 0.47 -1.45 -0.07 -0.60 0.00 0.00 178.31 176.67 2dn2 h LEU 34 N 0.30 0.86 0.02 1.54 3.38 -1.24 -3.28 115.31 116.90 2dn2 h LEU 34 Ca 0.06 -0.91 -0.23 0.00 0.09 0.00 0.00 57.88 56.89 2dn2 h LEU 34 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2dn2 h LEU 34 CO 0.03 1.70 -1.08 0.28 0.09 0.00 0.00 178.44 179.46 2dn2 h SER 35 N 0.15 0.08 -2.26 -0.43 0.02 -0.70 -3.39 113.55 107.02 2dn2 h SER 35 Ca -0.25 -0.08 -0.58 0.00 -0.84 0.00 0.00 61.79 60.03 2dn2 h SER 35 Cb 2.14 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 64.26 2dn2 h SER 35 CO 0.27 1.07 -0.86 0.49 -1.14 0.00 0.00 176.83 176.66 2dn2 n PHE 36 N -3.37 1.22 0.31 3.45 3.01 0.35 -4.99 117.46 117.46 2dn2 n PHE 36 Ca -0.02 -3.80 0.19 0.00 1.01 0.00 0.00 57.45 54.83 2dn2 n PHE 36 Cb 0.96 -0.34 1.06 0.00 -0.01 0.00 0.00 39.48 41.15 2dn2 n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dn2 h PRO 37 N 4.50 0.00 0.00 -1.08 0.13 -1.73 -0.86 132.00 132.96 2dn2 h PRO 37 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2dn2 h PRO 37 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2dn2 h PRO 37 CO 0.59 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.15 2dn2 h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -1.87 112.91 112.04 2dn2 h THR 38 Ca 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2dn2 h THR 38 Cb 0.10 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2dn2 h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 2dn2 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.47 -2.24 112.91 117.36 2dn2 h THR 39 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2dn2 h THR 39 Cb 0.18 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2dn2 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 2dn2 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.81 116.57 118.52 2dn2 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dn2 h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2dn2 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2dn2 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.58 -0.54 112.91 111.97 2dn2 h THR 41 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2dn2 h THR 41 Cb 0.38 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2dn2 h THR 41 CO 0.00 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.72 2dn2 n TYR 42 N -2.58 0.00 -2.36 4.73 4.01 -1.06 -4.35 117.16 115.56 2dn2 n TYR 42 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 2dn2 n TYR 42 Cb 0.13 -0.13 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 2dn2 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dn2 n PHE 43 N -0.77 2.64 0.64 -0.72 3.01 -0.21 -4.84 117.46 117.22 2dn2 n PHE 43 Ca 0.11 -2.60 0.10 0.00 1.01 0.00 0.00 57.45 56.07 2dn2 n PHE 43 Cb 0.35 -0.24 0.43 0.00 -0.01 0.00 0.00 39.48 40.02 2dn2 n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2dn2 n PRO 44 N -0.54 0.05 -0.03 -1.08 -0.04 -1.24 -2.18 135.00 129.94 2dn2 n PRO 44 Ca 0.34 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 2dn2 n PRO 44 Cb 0.82 -1.58 0.41 0.00 -0.04 0.00 0.00 33.50 33.11 2dn2 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2dn2 n HIS 45 N -1.67 0.08 -3.96 0.54 1.44 -1.26 -4.90 115.22 105.49 2dn2 n HIS 45 Ca 0.04 -0.04 -0.31 0.00 -2.01 0.00 0.00 57.72 55.41 2dn2 n HIS 45 Cb 0.25 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.31 2dn2 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2dn2 s PHE 46 N -1.92 3.43 -0.34 -1.40 2.99 -0.93 -5.06 117.98 114.75 2dn2 s PHE 46 Ca 0.35 0.19 -0.29 0.00 0.00 0.00 0.00 56.93 57.19 2dn2 s PHE 46 Cb 0.20 -1.71 0.01 0.00 0.00 0.00 0.00 43.02 41.52 2dn2 s PHE 46 CO 0.31 0.57 1.23 0.34 -0.00 0.00 0.00 175.22 177.67 2dn2 s ASP 47 N -2.53 6.71 -0.09 1.36 2.15 -1.26 -4.90 116.67 118.10 2dn2 s ASP 47 Ca 0.33 1.04 0.16 0.00 0.43 0.00 0.00 52.55 54.52 2dn2 s ASP 47 Cb -0.13 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.58 2dn2 s ASP 47 CO 0.26 -1.08 1.51 0.18 -0.17 0.00 0.00 175.17 175.88 2dn2 n LEU 48 N 7.55 4.17 -4.75 -1.34 4.77 -1.26 -4.50 117.00 121.64 2dn2 n LEU 48 Ca 0.14 -2.10 -0.33 0.00 -0.03 0.00 0.00 56.01 53.68 2dn2 n LEU 48 Cb 0.47 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2dn2 n LEU 48 CO 0.64 0.72 0.76 -0.94 -1.33 0.00 0.00 177.39 177.24 2dn2 s SER 49 N -0.84 4.70 0.04 -1.43 1.04 -1.26 -4.86 113.70 111.09 2dn2 s SER 49 Ca 0.44 2.14 -0.34 0.00 0.48 0.00 0.00 55.95 58.67 2dn2 s SER 49 Cb 0.28 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.71 2dn2 s SER 49 CO 0.22 -1.91 1.69 1.57 0.98 0.00 0.00 173.24 175.78 2dn2 n HIS 50 N -2.59 2.24 -0.55 5.02 -0.00 -1.26 -1.62 115.22 116.47 2dn2 n HIS 50 Ca 0.12 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2dn2 n HIS 50 Cb 0.51 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 2dn2 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dn2 n GLY 51 N 3.77 0.75 3.75 1.57 0.00 -1.26 -5.01 105.19 108.76 2dn2 n GLY 51 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2dn2 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn2 s SER 52 N -2.53 5.03 0.40 1.61 1.04 -0.64 -4.80 113.70 113.82 2dn2 s SER 52 Ca 0.00 2.52 0.08 0.00 0.48 0.00 0.00 55.95 59.04 2dn2 s SER 52 Cb 0.00 -2.61 0.83 0.00 0.10 0.00 0.00 66.02 64.34 2dn2 s SER 52 CO 0.00 -1.71 1.99 0.00 0.98 0.00 0.00 173.24 174.50 2dn2 h ALA 53 N 0.90 1.61 -0.40 5.32 0.00 -1.91 -1.01 119.26 123.77 2dn2 h ALA 53 Ca -0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2dn2 h ALA 53 Cb 1.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2dn2 h ALA 53 CO 0.55 0.30 0.10 1.96 0.00 0.00 0.00 179.25 182.16 2dn2 h GLN 54 N 0.40 0.64 -0.39 0.00 4.20 -1.90 0.18 115.11 118.23 2dn2 h GLN 54 Ca 0.10 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2dn2 h GLN 54 Cb 0.14 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2dn2 h GLN 54 CO -0.01 0.66 -0.10 0.28 -0.67 0.00 0.00 178.83 178.99 2dn2 h VAL 55 N 0.51 1.28 -0.74 -0.54 2.07 -1.67 -0.13 116.25 117.03 2dn2 h VAL 55 Ca 0.13 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 2dn2 h VAL 55 Cb 0.30 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2dn2 h VAL 55 CO 0.00 0.40 0.33 0.11 0.02 0.00 0.00 177.57 178.43 2dn2 h LYS 56 N 0.57 1.08 -0.48 1.57 1.57 -1.08 0.25 116.57 120.05 2dn2 h LYS 56 Ca 0.10 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2dn2 h LYS 56 Cb 0.62 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2dn2 h LYS 56 CO 0.04 0.86 0.12 0.78 -0.57 0.00 0.00 179.45 180.68 2dn2 h GLY 57 N 1.04 0.82 1.08 3.86 0.00 -0.51 -1.92 103.07 107.44 2dn2 h GLY 57 Ca 0.25 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2dn2 h GLY 57 CO -0.03 0.47 0.09 0.84 0.00 0.00 0.00 176.54 177.92 2dn2 h HIS 58 N 0.64 1.19 -0.86 5.60 -0.00 -0.78 -1.74 115.15 119.20 2dn2 h HIS 58 Ca 0.15 -0.17 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 2dn2 h HIS 58 Cb 0.32 -0.32 -0.06 0.00 -0.00 0.00 0.00 27.41 27.34 2dn2 h HIS 58 CO 0.02 1.00 0.54 0.78 -0.00 0.00 0.00 177.93 180.27 2dn2 h GLY 59 N 1.04 1.30 1.17 5.26 0.00 -0.33 0.16 103.07 111.67 2dn2 h GLY 59 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 2dn2 h GLY 59 CO 0.02 0.28 -0.04 1.70 0.00 0.00 0.00 176.54 178.50 2dn2 h LYS 60 N 1.00 0.99 -0.60 4.80 1.63 -1.10 0.63 116.57 123.92 2dn2 h LYS 60 Ca 0.37 -0.32 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2dn2 h LYS 60 Cb 0.14 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 2dn2 h LYS 60 CO -0.16 0.99 0.28 0.87 -3.45 0.00 0.00 179.45 177.98 2dn2 h LYS 61 N 0.90 0.87 -0.52 1.90 1.57 -0.54 0.97 116.57 121.72 2dn2 h LYS 61 Ca 0.16 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2dn2 h LYS 61 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2dn2 h LYS 61 CO 0.03 0.71 0.20 0.28 -0.57 0.00 0.00 179.45 180.11 2dn2 h VAL 62 N 0.82 1.22 -0.70 0.50 2.07 -0.73 -1.58 116.25 117.85 2dn2 h VAL 62 Ca 0.20 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2dn2 h VAL 62 Cb 0.14 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2dn2 h VAL 62 CO -0.02 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.01 2dn2 h ALA 63 N 1.05 0.92 -0.47 1.67 0.00 -0.59 -1.72 119.26 120.12 2dn2 h ALA 63 Ca 0.17 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2dn2 h ALA 63 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2dn2 h ALA 63 CO -0.01 0.64 0.03 -0.44 0.00 0.00 0.00 179.25 179.47 2dn2 h ASP 64 N 1.05 0.72 -0.39 0.00 3.32 -0.55 -0.38 116.42 120.20 2dn2 h ASP 64 Ca 0.22 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2dn2 h ASP 64 Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2dn2 h ASP 64 CO 0.00 0.77 0.05 0.00 -1.72 0.00 0.00 179.24 178.35 2dn2 h ALA 65 N 1.31 1.22 -0.46 3.45 0.00 -0.84 -1.09 119.26 122.85 2dn2 h ALA 65 Ca 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2dn2 h ALA 65 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2dn2 h ALA 65 CO 0.01 0.53 -0.21 -0.07 0.00 0.00 0.00 179.25 179.51 2dn2 h LEU 66 N 0.70 0.94 -0.59 0.00 3.38 -0.74 -1.06 115.31 117.96 2dn2 h LEU 66 Ca 0.15 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2dn2 h LEU 66 Cb 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2dn2 h LEU 66 CO 0.01 1.11 0.33 0.74 0.09 0.00 0.00 178.44 180.73 2dn2 h THR 67 N 0.80 1.01 -0.65 0.22 2.02 -0.79 0.75 112.91 116.26 2dn2 h THR 67 Ca 0.11 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2dn2 h THR 67 Cb 0.77 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2dn2 h THR 67 CO 0.06 0.12 0.38 -1.13 0.37 0.00 0.00 175.52 175.32 2dn2 h ASN 68 N 0.64 0.60 -0.50 4.18 -1.24 -0.87 -1.26 115.58 117.12 2dn2 h ASN 68 Ca 0.25 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.19 2dn2 h ASN 68 Cb 0.10 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2dn2 h ASN 68 CO -0.14 0.40 -0.02 0.00 -1.29 0.00 0.00 177.43 176.38 2dn2 h ALA 69 N 1.31 0.68 -0.77 1.57 0.00 -0.56 -0.88 119.26 120.61 2dn2 h ALA 69 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2dn2 h ALA 69 Cb 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2dn2 h ALA 69 CO -0.14 0.51 0.34 0.28 0.00 0.00 0.00 179.25 180.24 2dn2 h VAL 70 N 0.76 1.25 0.00 0.00 2.07 -0.60 -1.54 116.25 118.19 2dn2 h VAL 70 Ca 0.14 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2dn2 h VAL 70 Cb 0.55 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dn2 h VAL 70 CO 0.03 0.30 -0.35 0.00 0.02 0.00 0.00 177.57 177.58 2dn2 h ALA 71 N 1.27 1.11 -0.94 1.67 0.00 -0.91 -3.17 119.26 118.30 2dn2 h ALA 71 Ca 0.26 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 54.28 2dn2 h ALA 71 Cb 0.15 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.48 2dn2 h ALA 71 CO -0.03 0.43 -0.57 0.72 0.00 0.00 0.00 179.25 179.81 2dn2 n HIS 72 N -3.66 2.94 0.26 0.00 8.25 -0.36 -4.87 115.22 117.78 2dn2 n HIS 72 Ca -0.01 -2.49 0.13 0.00 -0.26 0.00 0.00 57.72 55.09 2dn2 n HIS 72 Cb 0.45 -0.43 0.68 0.00 1.12 0.00 0.00 29.99 31.82 2dn2 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dn2 h VAL 73 N 2.13 0.45 -0.14 1.59 3.04 -1.27 0.03 116.25 122.09 2dn2 h VAL 73 Ca 0.39 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2dn2 h VAL 73 Cb 1.29 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2dn2 h VAL 73 CO 0.89 0.12 0.00 0.47 -1.01 0.00 0.00 177.57 178.04 2dn2 n ASP 74 N -3.46 0.95 -2.72 3.17 8.00 -1.26 -4.05 116.55 117.18 2dn2 n ASP 74 Ca -0.01 -2.03 -0.08 0.00 0.71 0.00 0.00 54.79 53.38 2dn2 n ASP 74 Cb 0.29 -0.16 0.10 0.00 -0.02 0.00 0.00 41.12 41.33 2dn2 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dn2 n ASP 75 N -0.04 -1.75 -0.17 -2.24 2.03 -0.02 -5.03 116.55 109.33 2dn2 n ASP 75 Ca 0.05 -2.83 -0.08 0.00 0.52 0.00 0.00 54.79 52.45 2dn2 n ASP 75 Cb 0.17 1.13 0.01 0.00 -0.72 0.00 0.00 41.12 41.71 2dn2 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2dn2 h MET 76 N 2.36 0.74 -0.77 -0.67 2.86 -1.65 -2.18 114.93 115.63 2dn2 h MET 76 Ca -0.21 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2dn2 h MET 76 Cb 1.23 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 2dn2 h MET 76 CO 0.03 0.67 0.38 -1.35 1.06 0.00 0.00 176.91 177.71 2dn2 h PRO 77 N 0.66 0.59 -0.42 -0.22 0.11 -1.94 0.21 132.00 130.98 2dn2 h PRO 77 Ca 0.16 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 2dn2 h PRO 77 Cb 0.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2dn2 h PRO 77 CO -0.01 0.39 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.09 2dn2 h ASN 78 N 0.60 0.88 -0.08 -2.05 2.35 -1.90 -2.43 115.58 112.95 2dn2 h ASN 78 Ca 0.40 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 2dn2 h ASN 78 Cb 0.49 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2dn2 h ASN 78 CO -0.32 1.07 -0.41 0.00 -1.65 0.00 0.00 177.43 176.13 2dn2 h ALA 79 N 0.83 0.81 -0.69 -0.83 0.00 -0.66 -2.95 119.26 115.78 2dn2 h ALA 79 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2dn2 h ALA 79 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dn2 h ALA 79 CO 0.06 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.24 2dn2 n LEU 80 N -4.03 4.35 -0.22 0.00 4.77 0.64 -4.65 117.00 117.86 2dn2 n LEU 80 Ca -0.02 -2.19 0.01 0.00 -0.03 0.00 0.00 56.01 53.78 2dn2 n LEU 80 Cb 0.52 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 41.16 2dn2 n LEU 80 CO 0.45 0.88 0.77 -1.28 -1.33 0.00 0.00 177.39 176.88 2dn2 h SER 81 N 4.16 -0.50 -0.89 -1.43 0.87 -1.25 0.14 113.55 114.65 2dn2 h SER 81 Ca 0.00 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2dn2 h SER 81 Cb 1.23 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 2dn2 h SER 81 CO 0.13 -0.19 0.52 0.00 -0.53 0.00 0.00 176.83 176.75 2dn2 h ALA 82 N 1.64 1.14 -0.18 6.23 0.00 -1.85 -1.04 119.26 125.21 2dn2 h ALA 82 Ca 0.33 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2dn2 h ALA 82 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dn2 h ALA 82 CO -0.64 0.62 -0.51 1.25 0.00 0.00 0.00 179.25 179.97 2dn2 h LEU 83 N 1.24 0.55 -0.57 0.00 5.85 -1.53 -0.92 115.31 119.93 2dn2 h LEU 83 Ca 0.32 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2dn2 h LEU 83 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2dn2 h LEU 83 CO -0.06 0.97 -0.28 0.77 -0.34 0.00 0.00 178.44 179.50 2dn2 h SER 84 N 0.40 0.87 -0.30 1.25 4.64 -0.78 -1.57 113.55 118.05 2dn2 h SER 84 Ca 0.01 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2dn2 h SER 84 Cb 1.03 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 2dn2 h SER 84 CO 0.09 1.09 0.18 0.44 -0.87 0.00 0.00 176.83 177.77 2dn2 h ASP 85 N 0.71 0.36 -0.30 4.97 3.32 -0.90 -1.80 116.42 122.78 2dn2 h ASP 85 Ca 0.08 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2dn2 h ASP 85 Cb 0.83 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 2dn2 h ASP 85 CO 0.07 0.30 0.10 0.25 -1.72 0.00 0.00 179.24 178.24 2dn2 h LEU 86 N 0.39 0.11 -0.61 1.55 5.85 -1.05 0.52 115.31 122.06 2dn2 h LEU 86 Ca 0.11 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2dn2 h LEU 86 Cb 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2dn2 h LEU 86 CO -0.02 0.10 -0.28 0.45 -0.34 0.00 0.00 178.44 178.35 2dn2 h HIS 87 N 0.23 0.93 -0.31 1.25 3.86 -1.26 -0.11 115.15 119.75 2dn2 h HIS 87 Ca 0.13 -0.23 -0.18 0.00 -1.16 0.00 0.00 60.37 58.93 2dn2 h HIS 87 Cb 0.10 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2dn2 h HIS 87 CO -0.13 0.99 -0.51 0.00 0.86 0.00 0.00 177.93 179.13 2dn2 h ALA 88 N 1.00 0.48 0.00 2.45 0.00 -0.97 0.46 119.26 122.68 2dn2 h ALA 88 Ca 0.08 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2dn2 h ALA 88 Cb 0.81 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2dn2 h ALA 88 CO 0.07 0.67 -1.97 0.72 0.00 0.00 0.00 179.25 178.73 2dn2 n HIS 89 N -4.03 0.00 0.01 0.00 8.25 0.14 -4.54 115.22 115.05 2dn2 n HIS 89 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 2dn2 n HIS 89 Cb 0.61 -0.61 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2dn2 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dn2 n LYS 90 N -2.36 0.13 -0.05 -0.41 5.02 -0.67 -4.85 118.16 114.96 2dn2 n LYS 90 Ca -0.15 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.04 2dn2 n LYS 90 Cb 0.75 -0.65 -0.07 0.00 -0.02 0.00 0.00 35.03 35.03 2dn2 n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2dn2 h LEU 91 N -0.24 0.60 -1.34 -0.35 3.38 -1.15 -3.47 115.31 112.74 2dn2 h LEU 91 Ca 0.00 -0.57 -0.37 0.00 0.09 0.00 0.00 57.88 57.04 2dn2 h LEU 91 Cb 0.24 -0.17 0.14 0.00 0.09 0.00 0.00 40.66 40.96 2dn2 h LEU 91 CO 0.00 1.05 -0.74 0.54 0.09 0.00 0.00 178.44 179.38 2dn2 n ARG 92 N -4.31 -6.99 -2.37 1.13 1.74 0.16 -4.93 116.66 101.08 2dn2 n ARG 92 Ca -0.07 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 2dn2 n ARG 92 Cb 0.51 -5.82 -0.03 0.00 -1.02 0.00 0.00 32.46 26.10 2dn2 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dn2 s VAL 93 N -3.36 3.96 0.28 1.55 1.01 -1.25 -4.97 120.40 117.62 2dn2 s VAL 93 Ca 0.24 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2dn2 s VAL 93 Cb -0.11 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 2dn2 s VAL 93 CO 0.74 0.05 1.55 -0.67 0.00 0.00 0.00 175.10 176.77 2dn2 n ASP 94 N 4.63 3.61 -0.10 3.32 2.03 -1.26 -4.84 116.55 123.94 2dn2 n ASP 94 Ca 0.11 1.15 0.26 0.00 0.52 0.00 0.00 54.79 56.82 2dn2 n ASP 94 Cb 0.45 -1.56 0.72 0.00 -0.72 0.00 0.00 41.12 40.01 2dn2 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2dn2 h PRO 95 N 4.63 0.00 -0.07 -0.67 0.11 -2.00 -1.86 132.00 132.15 2dn2 h PRO 95 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2dn2 h PRO 95 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dn2 h PRO 95 CO 0.78 0.00 0.05 -0.24 -0.21 0.00 0.00 178.00 178.38 2dn2 h VAL 96 N 0.00 0.85 0.00 3.15 3.04 -2.04 -2.36 116.25 118.89 2dn2 h VAL 96 Ca 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.02 2dn2 h VAL 96 Cb 1.58 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2dn2 h VAL 96 CO -0.00 0.00 -0.14 0.78 -1.01 0.00 0.00 177.57 177.20 2dn2 h ASN 97 N 0.00 0.00 -0.08 3.17 2.35 -1.69 -2.41 115.58 116.92 2dn2 h ASN 97 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2dn2 h ASN 97 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2dn2 h ASN 97 CO -0.00 0.14 -0.14 -0.26 -1.65 0.00 0.00 177.43 175.51 2dn2 h PHE 98 N 0.00 0.46 -0.34 1.19 0.04 -1.61 -1.84 116.94 114.84 2dn2 h PHE 98 Ca -0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2dn2 h PHE 98 Cb 0.51 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2dn2 h PHE 98 CO 0.00 0.56 -0.05 0.87 -0.60 0.00 0.00 178.31 179.09 2dn2 h LYS 99 N 0.40 0.56 -0.10 1.51 1.57 -1.58 -1.12 116.57 117.81 2dn2 h LYS 99 Ca 0.07 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2dn2 h LYS 99 Cb 0.49 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2dn2 h LYS 99 CO 0.03 0.62 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.20 2dn2 h LEU 100 N 0.53 0.39 -0.80 2.94 3.38 -1.41 -1.30 115.31 119.04 2dn2 h LEU 100 Ca 0.11 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2dn2 h LEU 100 Cb 0.42 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2dn2 h LEU 100 CO 0.02 0.92 0.14 0.25 0.09 0.00 0.00 178.44 179.85 2dn2 h LEU 101 N -0.11 0.99 -0.45 1.67 5.85 -1.32 -1.99 115.31 119.95 2dn2 h LEU 101 Ca -0.01 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2dn2 h LEU 101 Cb 0.87 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2dn2 h LEU 101 CO 0.06 0.96 0.26 0.28 -0.34 0.00 0.00 178.44 179.65 2dn2 h SER 102 N 0.99 0.41 -0.72 1.25 0.02 -1.11 0.58 113.55 114.96 2dn2 h SER 102 Ca 0.20 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2dn2 h SER 102 Cb 0.38 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2dn2 h SER 102 CO 0.00 0.29 0.45 -0.74 -1.14 0.00 0.00 176.83 175.69 2dn2 h HIS 103 N 0.51 0.84 0.00 3.45 -0.00 -1.02 -0.51 115.15 118.42 2dn2 h HIS 103 Ca 0.18 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.47 2dn2 h HIS 103 Cb 0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 2dn2 h HIS 103 CO -0.08 0.47 -0.49 0.00 -0.00 0.00 0.00 177.93 177.83 2dn2 h LEU 105 N 0.00 0.90 -0.64 0.00 3.38 -0.47 -1.46 115.31 117.02 2dn2 h LEU 105 Ca -0.00 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2dn2 h LEU 105 Cb 0.89 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2dn2 h LEU 105 CO 0.06 1.05 0.30 -0.07 0.09 0.00 0.00 178.44 179.88 2dn2 h LEU 106 N 0.74 0.85 -0.98 1.67 3.38 -0.62 -0.40 115.31 119.95 2dn2 h LEU 106 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dn2 h LEU 106 Cb 0.66 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2dn2 h LEU 106 CO 0.05 0.75 0.51 0.58 0.09 0.00 0.00 178.44 180.41 2dn2 h VAL 107 N 0.89 1.25 -0.45 1.22 2.07 -1.03 0.50 116.25 120.70 2dn2 h VAL 107 Ca 0.22 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2dn2 h VAL 107 Cb 0.13 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2dn2 h VAL 107 CO -0.03 0.27 0.04 0.74 0.02 0.00 0.00 177.57 178.62 2dn2 h THR 108 N 1.23 1.25 -0.56 2.57 2.02 -0.89 -1.01 112.91 117.53 2dn2 h THR 108 Ca 0.32 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2dn2 h THR 108 Cb -0.01 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2dn2 h THR 108 CO -0.06 0.34 0.21 -0.07 0.37 0.00 0.00 175.52 176.31 2dn2 h LEU 109 N 0.62 0.78 -0.91 2.58 3.38 -0.77 -2.37 115.31 118.62 2dn2 h LEU 109 Ca 0.13 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2dn2 h LEU 109 Cb 0.43 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2dn2 h LEU 109 CO 0.02 0.75 0.57 0.00 0.09 0.00 0.00 178.44 179.86 2dn2 h ALA 110 N 1.06 1.25 0.00 1.53 0.00 -0.62 -0.20 119.26 122.27 2dn2 h ALA 110 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn2 h ALA 110 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dn2 h ALA 110 CO -0.01 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2dn2 h ALA 111 N 1.42 1.00 0.00 0.00 0.00 -0.79 -3.26 119.26 117.63 2dn2 h ALA 111 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dn2 h ALA 111 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dn2 h ALA 111 CO -0.17 0.00 -0.82 0.72 0.00 0.00 0.00 179.25 178.98 2dn2 n HIS 112 N -2.95 0.00 -3.03 0.00 -0.00 -0.88 -4.76 115.22 103.60 2dn2 n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.47 2dn2 n HIS 112 Cb 0.35 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.99 30.21 2dn2 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2dn2 n LEU 113 N -1.45 4.34 -0.22 2.41 4.77 -0.14 -4.92 117.00 121.78 2dn2 n LEU 113 Ca 0.00 -5.64 -0.03 0.00 -0.03 0.00 0.00 56.01 50.32 2dn2 n LEU 113 Cb 0.19 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.79 2dn2 n LEU 113 CO 0.20 2.30 1.09 1.55 -1.33 0.00 0.00 177.39 181.20 2dn2 h PRO 114 N 3.21 0.68 -0.06 3.23 0.13 -1.84 -1.70 132.00 135.65 2dn2 h PRO 114 Ca 0.14 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 2dn2 h PRO 114 Cb 0.53 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2dn2 h PRO 114 CO 0.82 0.45 -0.69 0.00 -0.23 0.00 0.00 178.00 178.35 2dn2 h ALA 115 N 1.31 0.71 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.46 2dn2 h ALA 115 Ca 0.28 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2dn2 h ALA 115 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dn2 h ALA 115 CO -0.15 0.77 -1.30 0.39 0.00 0.00 0.00 179.25 178.96 2dn2 n GLU 116 N -3.82 0.62 -1.62 0.00 4.71 -1.06 -4.63 120.64 114.84 2dn2 n GLU 116 Ca -0.03 0.14 -0.40 0.00 -0.01 0.00 0.00 57.16 56.86 2dn2 n GLU 116 Cb 0.68 -1.79 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 2dn2 n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2dn2 n PHE 117 N -2.75 2.73 -1.82 -0.32 7.35 -0.66 -4.76 117.46 117.22 2dn2 n PHE 117 Ca -0.06 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.35 2dn2 n PHE 117 Cb 0.70 -2.34 0.08 0.00 0.35 0.00 0.00 39.48 38.28 2dn2 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dn2 s THR 118 N 1.58 2.52 0.23 -2.13 -4.23 -1.26 -4.76 115.64 107.60 2dn2 s THR 118 Ca 0.60 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.21 2dn2 s THR 118 Cb 0.17 -3.12 0.19 0.00 1.34 0.00 0.00 72.50 71.08 2dn2 s THR 118 CO -0.07 -0.22 1.80 -0.65 -0.54 0.00 0.00 174.62 174.94 2dn2 h PRO 119 N -1.00 0.71 -0.69 3.99 0.11 -1.99 0.50 132.00 133.63 2dn2 h PRO 119 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2dn2 h PRO 119 Cb 1.30 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2dn2 h PRO 119 CO 0.64 0.47 0.15 0.00 -0.21 0.00 0.00 178.00 179.05 2dn2 h ALA 120 N 1.42 0.97 -0.25 -0.75 0.00 -1.96 -0.84 119.26 117.85 2dn2 h ALA 120 Ca 0.36 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2dn2 h ALA 120 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dn2 h ALA 120 CO -0.24 0.66 -0.59 0.28 0.00 0.00 0.00 179.25 179.37 2dn2 h VAL 121 N 1.05 1.28 -0.39 0.00 2.07 -1.72 -1.25 116.25 117.28 2dn2 h VAL 121 Ca 0.22 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.00 2dn2 h VAL 121 Cb 0.38 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2dn2 h VAL 121 CO 0.00 0.58 0.15 -0.74 0.02 0.00 0.00 177.57 177.58 2dn2 h HIS 122 N 0.62 0.27 -0.49 1.57 6.17 -0.69 0.19 115.15 122.78 2dn2 h HIS 122 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.13 2dn2 h HIS 122 Cb 1.19 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 31.03 2dn2 h HIS 122 CO 0.07 0.11 0.29 0.00 0.71 0.00 0.00 177.93 179.11 2dn2 h ALA 123 N 1.25 0.63 -0.51 5.26 0.00 -0.89 -0.86 119.26 124.13 2dn2 h ALA 123 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2dn2 h ALA 123 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2dn2 h ALA 123 CO -0.17 -0.02 -0.06 0.77 0.00 0.00 0.00 179.25 179.77 2dn2 h SER 124 N 0.57 0.88 -0.54 0.00 0.02 -0.69 -1.40 113.55 112.40 2dn2 h SER 124 Ca 0.20 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 2dn2 h SER 124 Cb 0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2dn2 h SER 124 CO -0.09 0.98 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.45 2dn2 h LEU 125 N 0.82 0.99 -0.51 5.07 3.38 -0.38 0.40 115.31 125.08 2dn2 h LEU 125 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2dn2 h LEU 125 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2dn2 h LEU 125 CO 0.03 1.07 0.26 -0.78 0.09 0.00 0.00 178.44 179.12 2dn2 h ASP 126 N 0.91 0.66 -0.74 -0.43 3.58 -0.87 -0.44 116.42 119.08 2dn2 h ASP 126 Ca 0.15 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 2dn2 h ASP 126 Cb 0.60 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2dn2 h ASP 126 CO 0.04 0.58 0.24 0.11 -2.88 0.00 0.00 179.24 177.33 2dn2 h LYS 127 N 0.68 1.15 -0.39 0.28 1.57 -1.07 -1.63 116.57 117.15 2dn2 h LYS 127 Ca 0.18 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2dn2 h LYS 127 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2dn2 h LYS 127 CO -0.03 0.97 0.22 0.35 -0.57 0.00 0.00 179.45 180.39 2dn2 h PHE 128 N 1.10 0.53 -0.19 -1.35 3.57 -0.33 -0.68 116.94 119.59 2dn2 h PHE 128 Ca 0.24 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2dn2 h PHE 128 Cb 0.29 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2dn2 h PHE 128 CO 0.02 0.40 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.09 2dn2 h LEU 129 N 0.50 0.41 -0.98 0.59 3.38 -0.96 0.13 115.31 118.38 2dn2 h LEU 129 Ca 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2dn2 h LEU 129 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2dn2 h LEU 129 CO -0.02 0.73 0.13 0.00 0.09 0.00 0.00 178.44 179.36 2dn2 h ALA 130 N 1.30 1.17 -0.42 1.53 0.00 -1.02 -1.12 119.26 120.70 2dn2 h ALA 130 Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2dn2 h ALA 130 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dn2 h ALA 130 CO 0.06 0.56 -0.12 0.77 0.00 0.00 0.00 179.25 180.52 2dn2 h SER 131 N 0.83 0.83 -0.82 0.00 0.02 -0.39 0.47 113.55 114.49 2dn2 h SER 131 Ca 0.18 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2dn2 h SER 131 Cb 0.32 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2dn2 h SER 131 CO 0.00 1.01 0.45 0.58 -1.14 0.00 0.00 176.83 177.73 2dn2 h VAL 132 N 0.63 1.24 -0.76 2.27 2.07 -0.60 -1.39 116.25 119.71 2dn2 h VAL 132 Ca 0.10 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2dn2 h VAL 132 Cb 0.66 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2dn2 h VAL 132 CO 0.04 0.26 0.37 0.28 0.02 0.00 0.00 177.57 178.55 2dn2 h SER 133 N 1.13 0.99 -0.64 0.57 0.02 -0.96 0.17 113.55 114.83 2dn2 h SER 133 Ca 0.29 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2dn2 h SER 133 Cb 0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2dn2 h SER 133 CO -0.05 0.84 0.38 0.74 -1.14 0.00 0.00 176.83 177.60 2dn2 h THR 134 N 1.06 1.19 -0.51 -2.27 2.02 -0.58 -2.00 112.91 111.82 2dn2 h THR 134 Ca 0.26 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2dn2 h THR 134 Cb 0.11 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2dn2 h THR 134 CO -0.03 0.20 0.09 0.58 0.37 0.00 0.00 175.52 176.73 2dn2 h VAL 135 N 0.87 1.25 0.00 3.16 2.07 -0.71 -2.03 116.25 120.85 2dn2 h VAL 135 Ca 0.23 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2dn2 h VAL 135 Cb -0.00 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2dn2 h VAL 135 CO -0.04 0.33 -0.01 -0.07 0.02 0.00 0.00 177.57 177.80 2dn2 h LEU 136 N 0.73 0.00 -2.43 2.57 3.38 -0.73 -2.45 115.31 116.37 2dn2 h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dn2 h LEU 136 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2dn2 h LEU 136 CO 0.01 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.90 2dn2 n THR 137 N -3.14 0.68 0.26 0.22 -2.24 -0.77 -4.53 114.28 104.75 2dn2 n THR 137 Ca -0.01 -0.84 0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2dn2 n THR 137 Cb 0.21 0.76 0.68 0.00 -2.10 0.00 0.00 70.33 69.88 2dn2 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2dn2 h SER 138 N 2.68 0.00 -0.32 3.42 4.64 -0.87 -2.80 113.55 120.30 2dn2 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dn2 h SER 138 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2dn2 h SER 138 CO 0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 2dn2 n LYS 139 N -3.42 3.14 0.16 4.77 5.02 -1.26 -4.64 118.16 121.93 2dn2 n LYS 139 Ca -0.01 -2.75 0.03 0.00 -2.02 0.00 0.00 58.31 53.56 2dn2 n LYS 139 Cb 0.29 -1.80 0.42 0.00 -0.02 0.00 0.00 35.03 33.93 2dn2 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2dn2 h TYR 140 N 2.15 0.15 0.00 2.13 0.99 -1.82 -3.46 116.97 117.11 2dn2 h TYR 140 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2dn2 h TYR 140 Cb 1.38 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 39.07 2dn2 h TYR 140 CO 0.52 0.32 0.00 2.89 -0.00 0.00 0.00 178.16 181.89