#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibe n GLN 2 N 0.00 0.00 -4.33 5.55 6.02 -1.26 -5.04 117.38 118.31 1ibe n GLN 2 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1ibe n GLN 2 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1ibe n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ibe s LEU 3 N 0.00 2.41 0.75 1.08 1.02 -1.26 -5.13 118.68 117.55 1ibe s LEU 3 Ca 0.00 -0.83 -0.11 0.00 0.02 0.00 0.00 54.13 53.21 1ibe s LEU 3 Cb 0.00 -0.89 0.05 0.00 0.02 0.00 0.00 46.19 45.37 1ibe s LEU 3 CO 0.00 0.01 1.09 -0.94 0.02 0.00 0.00 176.35 176.53 1ibe s SER 4 N -2.50 4.65 0.23 2.29 1.04 -1.26 -4.81 113.70 113.33 1ibe s SER 4 Ca 0.14 1.83 0.21 0.00 0.48 0.00 0.00 55.95 58.62 1ibe s SER 4 Cb -0.07 -2.52 0.93 0.00 0.10 0.00 0.00 66.02 64.46 1ibe s SER 4 CO 0.06 -1.94 1.65 0.61 0.98 0.00 0.00 173.24 174.61 1ibe n GLY 5 N -1.18 -1.15 0.09 7.32 0.00 -1.26 -1.38 105.19 107.62 1ibe n GLY 5 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ibe n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ibe n GLU 6 N -2.12 0.63 -0.03 1.61 -0.58 -1.26 -2.77 120.64 116.12 1ibe n GLU 6 Ca 0.02 0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.77 1ibe n GLU 6 Cb 0.18 -1.75 -0.10 0.00 -0.57 0.00 0.00 31.44 29.21 1ibe n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ibe h GLU 7 N 0.00 0.33 -0.68 3.49 5.08 -1.77 -2.12 114.58 118.92 1ibe h GLU 7 Ca -0.19 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1ibe h GLU 7 Cb 1.59 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1ibe h GLU 7 CO 0.04 0.92 0.39 -0.22 -1.00 0.00 0.00 179.01 179.14 1ibe h LYS 8 N -0.18 0.71 -0.52 2.33 3.64 -1.37 -0.17 116.57 121.02 1ibe h LYS 8 Ca -0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1ibe h LYS 8 Cb 0.99 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1ibe h LYS 8 CO 0.07 0.47 0.26 0.00 -2.27 0.00 0.00 179.45 177.98 1ibe h ALA 9 N 1.34 0.68 -0.89 5.00 0.00 -1.53 -1.36 119.26 122.49 1ibe h ALA 9 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ibe h ALA 9 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ibe h ALA 9 CO -0.16 0.23 0.50 0.00 0.00 0.00 0.00 179.25 179.82 1ibe h ALA 10 N 1.10 1.14 0.11 0.00 0.00 -0.66 -1.03 119.26 119.92 1ibe h ALA 10 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ibe h ALA 10 Cb 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ibe h ALA 10 CO -0.02 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 180.10 1ibe h VAL 11 N 1.25 0.91 -0.44 0.00 2.07 -0.73 -2.33 116.25 116.99 1ibe h VAL 11 Ca 0.32 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.67 1ibe h VAL 11 Cb 0.01 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ibe h VAL 11 CO -0.05 0.02 -0.12 -0.07 0.02 0.00 0.00 177.57 177.37 1ibe h LEU 12 N -0.17 0.79 -1.23 2.57 3.38 -1.14 -1.61 115.31 117.90 1ibe h LEU 12 Ca -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ibe h LEU 12 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ibe h LEU 12 CO 0.02 0.93 0.07 0.00 0.09 0.00 0.00 178.44 179.55 1ibe h ALA 13 N 1.15 1.38 -0.18 1.53 0.00 -1.08 -2.34 119.26 119.71 1ibe h ALA 13 Ca 0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1ibe h ALA 13 Cb 0.61 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ibe h ALA 13 CO 0.04 0.44 -0.68 1.25 0.00 0.00 0.00 179.25 180.30 1ibe h LEU 14 N 0.59 0.91 -2.66 0.00 5.85 -0.82 -3.10 115.31 116.08 1ibe h LEU 14 Ca 0.13 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ibe h LEU 14 Cb 0.26 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ibe h LEU 14 CO 0.00 1.36 -0.01 -0.25 -0.34 0.00 0.00 178.44 179.21 1ibe h TRP 15 N 0.51 0.00 0.00 1.25 2.91 -0.80 -0.17 115.95 119.65 1ibe h TRP 15 Ca -0.03 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 1ibe h TRP 15 Cb 1.30 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.95 1ibe h TRP 15 CO 0.09 0.01 -0.08 -0.44 -1.03 0.00 0.00 178.44 176.98 1ibe h ASP 16 N 0.00 0.00 -0.13 2.65 3.32 -1.38 -2.54 116.42 118.34 1ibe h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ibe h ASP 16 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ibe h ASP 16 CO 0.00 0.08 0.00 0.29 -1.72 0.00 0.00 179.24 177.89 1ibe n LYS 17 N -3.81 2.38 -2.85 3.56 5.02 -0.09 -4.95 118.16 117.43 1ibe n LYS 17 Ca -0.02 -2.03 -0.42 0.00 -2.02 0.00 0.00 58.31 53.82 1ibe n LYS 17 Cb 0.18 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1ibe n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ibe s VAL 18 N -1.86 4.79 -0.49 -0.18 1.01 -0.96 -5.00 120.40 117.70 1ibe s VAL 18 Ca 0.31 1.60 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 1ibe s VAL 18 Cb 0.21 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ibe s VAL 18 CO 0.30 -0.14 1.04 0.21 0.00 0.00 0.00 175.10 176.52 1ibe s ASN 19 N 1.37 6.52 0.50 3.32 3.84 -1.26 -4.91 114.94 124.32 1ibe s ASN 19 Ca 0.37 0.18 0.26 0.00 0.21 0.00 0.00 52.86 53.88 1ibe s ASN 19 Cb -0.15 -2.50 1.34 0.00 -0.55 0.00 0.00 41.25 39.39 1ibe s ASN 19 CO 0.08 -1.20 2.03 -0.33 -2.79 0.00 0.00 177.10 174.89 1ibe h GLU 20 N 9.23 0.00 0.16 0.43 5.08 -1.95 -0.62 114.58 126.91 1ibe h GLU 20 Ca -0.24 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.90 1ibe h GLU 20 Cb 1.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.34 1ibe h GLU 20 CO 1.09 0.15 -0.94 1.49 -1.00 0.00 0.00 179.01 179.79 1ibe h GLU 21 N 0.00 0.34 0.27 2.33 4.81 -1.91 -1.11 114.58 119.33 1ibe h GLU 21 Ca -0.00 -0.59 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 1ibe h GLU 21 Cb 0.40 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1ibe h GLU 21 CO 0.02 1.28 -0.13 1.49 -0.73 0.00 0.00 179.01 180.94 1ibe h GLU 22 N -0.28 -0.36 -0.38 1.92 4.81 -1.92 0.84 114.58 119.22 1ibe h GLU 22 Ca -0.17 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1ibe h GLU 22 Cb 1.74 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1ibe h GLU 22 CO 0.17 -0.05 -0.03 0.28 -0.73 0.00 0.00 179.01 178.65 1ibe h VAL 23 N -0.67 1.27 -0.12 0.32 2.07 -1.27 -2.05 116.25 115.80 1ibe h VAL 23 Ca -0.04 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ibe h VAL 23 Cb 0.47 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ibe h VAL 23 CO 0.06 0.35 0.06 1.23 0.02 0.00 0.00 177.57 179.30 1ibe h GLY 24 N 0.50 0.18 1.00 2.17 0.00 -1.24 0.23 103.07 105.91 1ibe h GLY 24 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ibe h GLY 24 CO 0.03 0.08 0.40 -1.33 0.00 0.00 0.00 176.54 175.72 1ibe h GLY 25 N 0.09 0.95 0.90 4.60 0.00 -0.84 -0.95 103.07 107.81 1ibe h GLY 25 Ca 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1ibe h GLY 25 CO -0.01 0.38 0.04 -2.09 0.00 0.00 0.00 176.54 174.86 1ibe h GLU 26 N 0.89 0.54 0.06 4.80 4.81 -1.23 -0.72 114.58 123.74 1ibe h GLU 26 Ca 0.24 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ibe h GLU 26 Cb -0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1ibe h GLU 26 CO -0.05 0.65 -0.10 0.00 -0.73 0.00 0.00 179.01 178.79 1ibe h ALA 27 N 0.87 -0.16 -0.64 2.92 0.00 -0.44 0.99 119.26 122.81 1ibe h ALA 27 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ibe h ALA 27 Cb 0.38 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ibe h ALA 27 CO 0.01 -0.61 0.31 1.25 0.00 0.00 0.00 179.25 180.21 1ibe h LEU 28 N -0.20 0.83 -0.00 0.00 5.85 -1.18 -1.32 115.31 119.29 1ibe h LEU 28 Ca 0.02 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ibe h LEU 28 Cb 0.21 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ibe h LEU 28 CO -0.05 0.73 -0.01 1.23 -0.34 0.00 0.00 178.44 179.99 1ibe h GLY 29 N 0.88 -0.01 1.20 3.75 0.00 -0.96 -1.92 103.07 106.01 1ibe h GLY 29 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1ibe h GLY 29 CO -0.03 -0.02 0.53 3.21 0.00 0.00 0.00 176.54 180.24 1ibe h ARG 30 N -0.02 1.08 -0.27 4.80 3.08 -0.63 0.19 114.38 122.60 1ibe h ARG 30 Ca 0.01 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1ibe h ARG 30 Cb 0.03 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 29.79 1ibe h ARG 30 CO -0.02 0.72 -0.04 1.25 -1.07 0.00 0.00 179.97 180.81 1ibe h LEU 31 N 1.11 -0.19 -1.18 3.04 5.85 -0.91 0.25 115.31 123.28 1ibe h LEU 31 Ca 0.30 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 1ibe h LEU 31 Cb -0.12 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ibe h LEU 31 CO -0.06 -0.06 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.68 1ibe h LEU 32 N 0.03 0.28 0.01 2.25 3.38 -0.83 0.58 115.31 121.02 1ibe h LEU 32 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ibe h LEU 32 Cb 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ibe h LEU 32 CO -0.26 0.52 -0.01 0.58 0.09 0.00 0.00 178.44 179.37 1ibe h VAL 33 N 0.26 1.50 -0.11 1.22 2.07 -0.49 -3.37 116.25 117.34 1ibe h VAL 33 Ca 0.04 -1.95 -0.18 0.00 0.82 0.00 0.00 66.70 65.43 1ibe h VAL 33 Cb 0.55 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1ibe h VAL 33 CO 0.04 0.48 -0.69 0.58 0.02 0.00 0.00 177.57 177.99 1ibe h VAL 34 N -0.92 1.36 -2.92 2.57 2.07 -0.47 -3.37 116.25 114.58 1ibe h VAL 34 Ca -0.00 -2.04 -0.61 0.00 0.82 0.00 0.00 66.70 64.86 1ibe h VAL 34 Cb 0.80 2.02 -0.41 0.00 -1.52 0.00 0.00 31.29 32.18 1ibe h VAL 34 CO 0.00 0.62 -0.67 -0.31 0.02 0.00 0.00 177.57 177.24 1ibe s TYR 35 N -3.71 2.97 0.51 1.57 2.02 0.19 -5.00 117.35 115.90 1ibe s TYR 35 Ca -0.06 -3.09 0.25 0.00 -0.37 0.00 0.00 57.07 53.79 1ibe s TYR 35 Cb 0.10 -2.28 1.34 0.00 -0.40 0.00 0.00 41.96 40.72 1ibe s TYR 35 CO 0.84 -0.62 1.95 -1.35 -1.57 0.00 0.00 175.55 174.81 1ibe h PRO 36 N 5.48 0.10 0.00 -1.71 0.11 -1.73 -0.91 132.00 133.33 1ibe h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1ibe h PRO 36 Cb 0.79 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1ibe h PRO 36 CO 0.63 0.06 0.00 0.11 -0.21 0.00 0.00 178.00 178.60 1ibe h TRP 37 N 0.10 0.00 0.00 0.65 0.09 -1.93 -1.48 115.95 113.37 1ibe h TRP 37 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.31 1ibe h TRP 37 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.40 1ibe h TRP 37 CO -0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1ibe h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.49 -2.84 112.91 110.06 1ibe h THR 38 Ca 0.00 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1ibe h THR 38 Cb 0.17 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ibe h THR 38 CO 0.00 0.00 -0.11 1.56 -0.25 0.00 0.00 175.52 176.72 1ibe h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.46 -2.95 115.11 119.62 1ibe h GLN 39 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ibe h GLN 39 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1ibe h GLN 39 CO 0.00 0.11 -0.01 0.07 -0.67 0.00 0.00 178.83 178.32 1ibe h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.71 -1.49 114.38 112.75 1ibe h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ibe h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1ibe h ARG 40 CO 0.01 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.29 1ibe n PHE 41 N -3.63 0.49 -2.22 4.08 3.72 -1.11 -3.94 117.46 114.85 1ibe n PHE 41 Ca -0.03 0.16 -0.20 0.00 -0.05 0.00 0.00 57.45 57.34 1ibe n PHE 41 Cb 0.10 -0.76 0.02 0.00 -0.94 0.00 0.00 39.48 37.90 1ibe n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ibe n PHE 42 N -1.92 2.50 -0.20 1.38 3.72 -0.56 -4.81 117.46 117.57 1ibe n PHE 42 Ca 0.05 -2.29 -0.05 0.00 -0.05 0.00 0.00 57.45 55.11 1ibe n PHE 42 Cb 0.32 -0.30 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1ibe n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1ibe h ASP 43 N 2.31 0.57 0.02 4.37 3.32 -1.68 -2.56 116.42 122.77 1ibe h ASP 43 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1ibe h ASP 43 Cb 1.43 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1ibe h ASP 43 CO 0.66 0.40 0.00 -1.54 -1.72 0.00 0.00 179.24 177.03 1ibe n SER 44 N -4.75 0.00 -0.02 6.45 3.41 -1.26 -2.81 113.62 114.63 1ibe n SER 44 Ca 0.05 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1ibe n SER 44 Cb 0.09 -0.33 0.46 0.00 -0.26 0.00 0.00 64.21 64.17 1ibe n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ibe n PHE 45 N -1.33 0.00 0.00 7.33 3.01 -0.96 -5.06 117.46 120.45 1ibe n PHE 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ibe n PHE 45 Cb 0.01 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1ibe n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ibe n GLY 46 N 1.46 0.85 3.60 1.37 0.00 -1.12 -4.85 105.19 106.50 1ibe n GLY 46 Ca 0.08 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1ibe n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibe s ASP 47 N -4.00 6.19 -0.10 1.61 2.15 -1.26 -4.81 116.67 116.45 1ibe s ASP 47 Ca 0.00 1.11 0.14 0.00 0.43 0.00 0.00 52.55 54.23 1ibe s ASP 47 Cb 0.00 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.39 1ibe s ASP 47 CO 0.00 -1.50 1.15 0.18 -0.17 0.00 0.00 175.17 174.83 1ibe n LEU 48 N 9.25 1.73 0.21 -1.34 4.77 -1.26 -4.12 117.00 126.24 1ibe n LEU 48 Ca 0.19 -2.71 0.14 0.00 -0.03 0.00 0.00 56.01 53.60 1ibe n LEU 48 Cb 0.47 -0.29 0.44 0.00 -2.33 0.00 0.00 43.42 41.71 1ibe n LEU 48 CO 0.69 0.79 0.89 0.77 -1.33 0.00 0.00 177.39 179.20 1ibe h SER 49 N 0.51 0.00 -5.10 -1.43 4.64 -1.91 -3.44 113.55 106.82 1ibe h SER 49 Ca -0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ibe h SER 49 Cb 1.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.25 1ibe h SER 49 CO 0.02 0.00 0.01 0.54 -0.87 0.00 0.00 176.83 176.53 1ibe s ASN 50 N -5.51 -0.24 0.26 4.97 2.20 -1.26 -4.98 114.94 110.38 1ibe s ASN 50 Ca 0.05 -0.51 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 1ibe s ASN 50 Cb 0.08 0.57 0.56 0.00 -2.00 0.00 0.00 41.25 40.46 1ibe s ASN 50 CO 0.58 -1.05 1.65 -0.65 -2.94 0.00 0.00 177.10 174.68 1ibe h PRO 51 N 2.21 0.17 -0.25 3.55 0.11 -1.98 0.28 132.00 136.09 1ibe h PRO 51 Ca -0.29 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 1ibe h PRO 51 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ibe h PRO 51 CO 0.38 0.11 -0.44 0.78 -0.21 0.00 0.00 178.00 178.62 1ibe h GLY 52 N 0.18 0.69 1.03 -0.55 0.00 -1.98 -0.09 103.07 102.35 1ibe h GLY 52 Ca 0.47 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1ibe h GLY 52 CO -0.64 0.65 0.43 0.00 0.00 0.00 0.00 176.54 176.99 1ibe h ALA 53 N 1.00 1.09 0.44 3.60 0.00 -1.32 -2.62 119.26 121.44 1ibe h ALA 53 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ibe h ALA 53 Cb 0.97 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ibe h ALA 53 CO 0.09 0.63 -0.21 0.28 0.00 0.00 0.00 179.25 180.03 1ibe h VAL 54 N 1.19 0.49 0.00 0.00 2.07 -0.88 -2.54 116.25 116.58 1ibe h VAL 54 Ca 0.29 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1ibe h VAL 54 Cb 0.08 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ibe h VAL 54 CO -0.04 0.07 -0.17 0.24 0.02 0.00 0.00 177.57 177.69 1ibe h MET 55 N -0.87 0.00 -0.01 1.57 2.86 -0.99 -2.80 114.93 114.69 1ibe h MET 55 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ibe h MET 55 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1ibe h MET 55 CO 0.10 0.17 -0.47 0.41 1.06 0.00 0.00 176.91 178.17 1ibe n GLY 56 N -0.60 -0.55 3.68 8.32 0.00 -0.99 -4.88 105.19 110.17 1ibe n GLY 56 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1ibe n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ibe s ASN 57 N -2.64 6.79 0.50 1.61 3.84 -0.96 -4.88 114.94 119.21 1ibe s ASN 57 Ca 0.18 2.11 0.22 0.00 0.21 0.00 0.00 52.86 55.58 1ibe s ASN 57 Cb 0.18 -2.55 1.32 0.00 -0.55 0.00 0.00 41.25 39.65 1ibe s ASN 57 CO 0.61 -0.80 2.07 1.55 -2.79 0.00 0.00 177.10 177.75 1ibe h PRO 58 N 8.40 0.00 -0.46 0.43 0.13 -1.91 -2.42 132.00 136.18 1ibe h PRO 58 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 1ibe h PRO 58 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ibe h PRO 58 CO 0.93 0.12 -0.24 -0.22 -0.23 0.00 0.00 178.00 178.36 1ibe h LYS 59 N 0.00 0.96 -0.11 0.86 1.63 -1.89 -1.66 116.57 116.35 1ibe h LYS 59 Ca -0.00 -0.42 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1ibe h LYS 59 Cb 0.27 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1ibe h LYS 59 CO 0.02 1.09 0.05 0.28 -3.45 0.00 0.00 179.45 177.43 1ibe h VAL 60 N 0.82 1.14 -0.66 2.00 2.07 -1.77 -1.71 116.25 118.15 1ibe h VAL 60 Ca 0.10 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1ibe h VAL 60 Cb 0.82 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1ibe h VAL 60 CO 0.07 0.13 0.37 0.50 0.02 0.00 0.00 177.57 178.65 1ibe h LYS 61 N 0.03 0.92 -0.46 1.57 3.64 -1.49 0.18 116.57 120.96 1ibe h LYS 61 Ca 0.04 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1ibe h LYS 61 Cb 0.16 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ibe h LYS 61 CO -0.00 0.69 -0.25 0.00 -2.27 0.00 0.00 179.45 177.61 1ibe h ALA 62 N 1.18 0.67 -0.45 5.00 0.00 -1.27 -0.71 119.26 123.68 1ibe h ALA 62 Ca 0.23 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1ibe h ALA 62 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ibe h ALA 62 CO -0.04 0.68 -0.28 1.25 0.00 0.00 0.00 179.25 180.86 1ibe h HIS 63 N 0.84 1.14 -0.92 0.00 -0.00 -1.16 -2.40 115.15 112.65 1ibe h HIS 63 Ca 0.10 -0.30 0.04 0.00 -0.00 0.00 0.00 60.37 60.20 1ibe h HIS 63 Cb 0.84 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.94 1ibe h HIS 63 CO 0.05 1.13 0.59 0.78 -0.00 0.00 0.00 177.93 180.49 1ibe h GLY 64 N 0.82 1.34 1.05 5.26 0.00 -0.50 -0.28 103.07 110.76 1ibe h GLY 64 Ca 0.09 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1ibe h GLY 64 CO 0.08 0.38 -0.03 1.70 0.00 0.00 0.00 176.54 178.67 1ibe h LYS 65 N 1.15 0.97 -0.01 4.80 3.64 -0.90 -1.48 116.57 124.74 1ibe h LYS 65 Ca 0.37 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ibe h LYS 65 Cb 0.01 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1ibe h LYS 65 CO -0.12 0.99 0.00 -0.22 -2.27 0.00 0.00 179.45 177.83 1ibe h LYS 66 N 0.85 0.01 -0.52 1.90 3.64 -0.80 0.15 116.57 121.79 1ibe h LYS 66 Ca 0.15 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1ibe h LYS 66 Cb 0.57 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 1ibe h LYS 66 CO 0.03 0.12 0.19 0.28 -2.27 0.00 0.00 179.45 177.81 1ibe h VAL 67 N -0.10 0.83 -0.13 2.00 2.07 -1.06 -2.38 116.25 117.47 1ibe h VAL 67 Ca 0.00 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1ibe h VAL 67 Cb 0.12 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ibe h VAL 67 CO -0.00 0.07 -0.52 0.25 0.02 0.00 0.00 177.57 177.39 1ibe h LEU 68 N 0.38 0.40 -0.72 2.57 5.85 -0.93 -1.42 115.31 121.44 1ibe h LEU 68 Ca 0.25 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1ibe h LEU 68 Cb 0.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1ibe h LEU 68 CO -0.25 0.85 0.20 -0.74 -0.34 0.00 0.00 178.44 178.16 1ibe h HIS 69 N 0.28 1.18 -0.45 1.25 2.76 -0.54 -0.37 115.15 119.26 1ibe h HIS 69 Ca 0.01 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 57.97 1ibe h HIS 69 Cb 1.01 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1ibe h HIS 69 CO 0.03 0.94 -0.06 1.03 -1.30 0.00 0.00 177.93 178.57 1ibe h SER 70 N 1.07 0.75 -0.30 3.26 0.87 -1.24 -2.20 113.55 115.76 1ibe h SER 70 Ca 0.23 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1ibe h SER 70 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1ibe h SER 70 CO -0.00 0.85 0.12 0.15 -0.53 0.00 0.00 176.83 177.41 1ibe h PHE 71 N 0.71 0.46 -0.79 2.24 3.04 -0.85 -2.13 116.94 119.62 1ibe h PHE 71 Ca 0.13 -0.04 0.16 0.00 3.98 0.00 0.00 57.97 62.20 1ibe h PHE 71 Cb 0.52 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 1ibe h PHE 71 CO 0.03 0.45 0.53 0.78 -2.02 0.00 0.00 178.31 178.07 1ibe h GLY 72 N 0.33 0.75 0.93 2.40 0.00 -0.72 0.12 103.07 106.89 1ibe h GLY 72 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1ibe h GLY 72 CO -0.01 0.05 -0.06 -2.09 0.00 0.00 0.00 176.54 174.43 1ibe h GLU 73 N 0.42 0.66 -0.29 4.80 4.81 -0.79 -1.62 114.58 122.58 1ibe h GLU 73 Ca 0.39 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1ibe h GLU 73 Cb 0.90 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1ibe h GLU 73 CO -0.13 0.82 -0.08 0.78 -0.73 0.00 0.00 179.01 179.66 1ibe h GLY 74 N 0.46 0.51 1.60 1.92 0.00 -0.28 -2.37 103.07 104.91 1ibe h GLY 74 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1ibe h GLY 74 CO 0.03 0.31 0.06 -2.08 0.00 0.00 0.00 176.54 174.86 1ibe h VAL 75 N 0.45 1.17 -0.01 4.60 2.07 -0.90 -2.02 116.25 121.61 1ibe h VAL 75 Ca 0.09 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ibe h VAL 75 Cb 0.42 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1ibe h VAL 75 CO 0.02 0.22 -0.03 1.41 0.02 0.00 0.00 177.57 179.22 1ibe n HIS 76 N -4.33 0.00 -2.67 1.57 -0.00 -0.64 -4.16 115.22 104.99 1ibe n HIS 76 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.65 1ibe n HIS 76 Cb 0.20 -0.03 0.03 0.00 -0.00 0.00 0.00 29.99 30.19 1ibe n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ibe n HIS 77 N -0.32 1.18 0.27 4.41 -0.00 -0.78 -4.95 115.22 115.03 1ibe n HIS 77 Ca 0.20 -2.75 0.14 0.00 -0.00 0.00 0.00 57.72 55.31 1ibe n HIS 77 Cb 0.28 -0.37 0.79 0.00 -0.00 0.00 0.00 29.99 30.69 1ibe n HIS 77 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1ibe h LEU 78 N 2.97 0.00 -0.42 2.41 3.38 -1.66 0.19 115.31 122.18 1ibe h LEU 78 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ibe h LEU 78 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ibe h LEU 78 CO 0.48 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 178.20 1ibe n ASP 79 N -3.56 0.61 -2.71 -0.43 5.68 -1.26 -4.19 116.55 110.70 1ibe n ASP 79 Ca -0.02 -1.99 -0.07 0.00 -0.50 0.00 0.00 54.79 52.21 1ibe n ASP 79 Cb 0.21 -0.08 0.09 0.00 -1.14 0.00 0.00 41.12 40.21 1ibe n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1ibe n ASN 80 N -0.17 -1.96 -0.09 -1.12 5.15 0.66 -4.98 115.26 112.75 1ibe n ASN 80 Ca 0.04 -2.93 -0.12 0.00 -0.60 0.00 0.00 54.58 50.98 1ibe n ASN 80 Cb 0.10 1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 40.81 1ibe n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ibe h LEU 81 N 2.46 0.52 -0.59 1.20 3.38 -1.70 -1.19 115.31 119.38 1ibe h LEU 81 Ca -0.22 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.51 1ibe h LEU 81 Cb 1.18 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1ibe h LEU 81 CO 0.03 0.75 0.05 0.11 0.09 0.00 0.00 178.44 179.47 1ibe h LYS 82 N 0.27 0.16 0.05 1.13 6.56 -1.90 0.88 116.57 123.72 1ibe h LYS 82 Ca 0.07 -0.01 -0.26 0.00 -1.06 0.00 0.00 60.65 59.40 1ibe h LYS 82 Cb 0.52 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1ibe h LYS 82 CO 0.02 0.11 -1.27 0.78 -2.06 0.00 0.00 179.45 177.03 1ibe h GLY 83 N 0.16 0.12 0.94 3.86 0.00 -1.96 -2.63 103.07 103.57 1ibe h GLY 83 Ca 0.31 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1ibe h GLY 83 CO -0.47 0.26 0.60 -0.84 0.00 0.00 0.00 176.54 176.09 1ibe h THR 84 N 0.03 1.13 -0.36 4.70 2.02 0.09 -3.26 112.91 117.25 1ibe h THR 84 Ca -0.13 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1ibe h THR 84 Cb 1.90 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1ibe h THR 84 CO 0.14 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.72 1ibe n PHE 85 N -4.46 0.47 -0.09 3.16 3.72 0.18 -4.74 117.46 115.69 1ibe n PHE 85 Ca 0.13 -0.35 -0.06 0.00 -0.05 0.00 0.00 57.45 57.11 1ibe n PHE 85 Cb 0.13 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1ibe n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ibe h ALA 86 N 3.00 0.04 -0.67 4.37 0.00 -1.51 0.33 119.26 124.82 1ibe h ALA 86 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ibe h ALA 86 Cb 0.79 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1ibe h ALA 86 CO 0.00 -0.58 0.21 0.00 0.00 0.00 0.00 179.25 178.87 1ibe h ALA 87 N 1.05 1.10 -0.06 0.00 0.00 -1.85 -1.06 119.26 118.45 1ibe h ALA 87 Ca 0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ibe h ALA 87 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ibe h ALA 87 CO -0.43 0.61 -0.39 1.25 0.00 0.00 0.00 179.25 180.30 1ibe h LEU 88 N 0.99 0.13 -0.70 0.00 5.85 -1.69 -2.51 115.31 117.38 1ibe h LEU 88 Ca 0.22 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1ibe h LEU 88 Cb 0.28 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ibe h LEU 88 CO -0.01 0.51 0.18 -1.28 -0.34 0.00 0.00 178.44 177.50 1ibe h SER 89 N 0.11 1.06 0.17 1.25 0.87 0.82 -1.73 113.55 116.11 1ibe h SER 89 Ca 0.01 -0.23 -0.19 0.00 -1.23 0.00 0.00 61.79 60.15 1ibe h SER 89 Cb 0.74 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ibe h SER 89 CO 0.06 1.02 -0.71 -0.33 -0.53 0.00 0.00 176.83 176.33 1ibe h GLU 90 N 1.06 0.48 0.24 2.24 5.08 -1.08 -2.40 114.58 120.20 1ibe h GLU 90 Ca 0.22 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ibe h GLU 90 Cb 0.37 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ibe h GLU 90 CO 0.00 1.01 -0.17 1.25 -1.00 0.00 0.00 179.01 180.10 1ibe h LEU 91 N 0.33 -0.43 -0.77 1.33 6.46 -1.14 0.92 115.31 122.01 1ibe h LEU 91 Ca -0.03 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1ibe h LEU 91 Cb 1.29 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.32 1ibe h LEU 91 CO 0.13 -0.27 0.29 0.45 -0.62 0.00 0.00 178.44 178.42 1ibe h HIS 92 N -0.41 1.19 0.20 1.25 3.86 -1.36 0.67 115.15 120.54 1ibe h HIS 92 Ca -0.02 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1ibe h HIS 92 Cb 0.36 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ibe h HIS 92 CO -0.11 0.91 -0.09 0.00 0.86 0.00 0.00 177.93 179.50 1ibe h ASP 94 N -0.85 -0.03 0.05 0.00 3.32 -0.87 -2.76 116.42 115.28 1ibe h ASP 94 Ca -0.03 -0.53 -0.37 0.00 0.02 0.00 0.00 57.03 56.12 1ibe h ASP 94 Cb 0.52 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1ibe h ASP 94 CO 0.04 0.52 -2.18 1.17 -1.72 0.00 0.00 179.24 177.07 1ibe n LYS 95 N -4.84 0.68 0.03 3.56 4.81 -0.07 -4.53 118.16 117.81 1ibe n LYS 95 Ca -0.09 0.24 -0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ibe n LYS 95 Cb 0.28 -1.62 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 1ibe n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ibe h LEU 96 N -0.15 0.00 -0.33 3.14 3.38 -0.90 -3.49 115.31 116.96 1ibe h LEU 96 Ca -0.51 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.05 1ibe h LEU 96 Cb 1.88 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.71 1ibe h LEU 96 CO -0.06 0.60 -0.67 1.41 0.09 0.00 0.00 178.44 179.81 1ibe n HIS 97 N -2.91 -2.51 -2.60 1.13 8.25 0.30 -4.98 115.22 111.90 1ibe n HIS 97 Ca -0.10 0.85 -0.42 0.00 -0.26 0.00 0.00 57.72 57.79 1ibe n HIS 97 Cb 0.85 -4.64 -0.03 0.00 1.12 0.00 0.00 29.99 27.30 1ibe n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ibe s VAL 98 N -3.26 4.57 0.31 1.59 1.01 -0.93 -5.02 120.40 118.66 1ibe s VAL 98 Ca 0.52 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 64.08 1ibe s VAL 98 Cb -0.24 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 1ibe s VAL 98 CO 0.65 -0.02 1.35 -0.62 0.00 0.00 0.00 175.10 176.46 1ibe s ASP 99 N 1.27 6.72 0.60 3.32 -1.08 -1.26 -4.81 116.67 121.43 1ibe s ASP 99 Ca 0.51 2.69 0.29 0.00 -0.52 0.00 0.00 52.55 55.52 1ibe s ASP 99 Cb -0.20 -2.64 1.56 0.00 -1.46 0.00 0.00 42.92 40.18 1ibe s ASP 99 CO 0.18 -0.60 1.97 -0.65 0.52 0.00 0.00 175.17 176.59 1ibe h PRO 100 N 3.87 0.00 -0.41 4.34 0.11 -1.98 -0.66 132.00 137.27 1ibe h PRO 100 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1ibe h PRO 100 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1ibe h PRO 100 CO 0.69 0.00 0.28 1.49 -0.21 0.00 0.00 178.00 180.24 1ibe h GLU 101 N 0.00 0.36 0.00 1.05 4.57 -1.99 -1.51 114.58 117.06 1ibe h GLU 101 Ca 0.14 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1ibe h GLU 101 Cb 0.88 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1ibe h GLU 101 CO -0.00 0.24 -0.32 -0.91 -1.18 0.00 0.00 179.01 176.84 1ibe h ASN 102 N 0.37 0.00 -0.55 1.04 4.21 -1.48 -1.52 115.58 117.65 1ibe h ASN 102 Ca 0.17 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 1ibe h ASN 102 Cb 0.22 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.40 1ibe h ASN 102 CO -0.04 0.32 0.15 -0.26 -1.29 0.00 0.00 177.43 176.31 1ibe h PHE 103 N 0.00 0.95 -0.33 1.19 0.04 -1.41 -0.64 116.94 116.74 1ibe h PHE 103 Ca -0.00 -0.09 -0.15 0.00 2.80 0.00 0.00 57.97 60.53 1ibe h PHE 103 Cb 0.60 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ibe h PHE 103 CO 0.00 0.78 -0.39 0.00 -0.60 0.00 0.00 178.31 178.10 1ibe h ARG 104 N 0.88 0.79 -0.35 1.51 -0.00 -1.39 -1.99 114.38 113.83 1ibe h ARG 104 Ca 0.19 -0.41 -0.02 0.00 -0.50 0.00 0.00 59.98 59.24 1ibe h ARG 104 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 1ibe h ARG 104 CO -0.00 1.04 0.13 -0.07 0.00 0.00 0.00 179.97 181.06 1ibe h LEU 105 N 0.64 0.49 -0.76 3.04 3.38 -0.83 -1.92 115.31 119.35 1ibe h LEU 105 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ibe h LEU 105 Cb 0.95 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ibe h LEU 105 CO 0.09 0.54 0.49 0.25 0.09 0.00 0.00 178.44 179.90 1ibe h LEU 106 N 0.41 0.89 -0.95 1.67 5.85 -1.13 0.21 115.31 122.26 1ibe h LEU 106 Ca 0.11 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1ibe h LEU 106 Cb 0.21 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1ibe h LEU 106 CO -0.01 0.66 0.61 1.23 -0.34 0.00 0.00 178.44 180.59 1ibe h GLY 107 N 1.03 1.43 1.31 3.75 0.00 -1.16 0.19 103.07 109.63 1ibe h GLY 107 Ca 0.28 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.94 1ibe h GLY 107 CO -0.06 0.32 -0.79 3.43 0.00 0.00 0.00 176.54 179.44 1ibe h ASN 108 N 1.11 0.80 -0.74 0.19 -0.26 -0.89 -1.54 115.58 114.25 1ibe h ASN 108 Ca 0.41 -0.54 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1ibe h ASN 108 Cb 0.15 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.13 1ibe h ASN 108 CO -0.17 1.32 0.43 0.58 -1.06 0.00 0.00 177.43 178.54 1ibe h VAL 109 N 0.45 1.22 -0.82 2.81 2.07 0.04 -0.27 116.25 121.74 1ibe h VAL 109 Ca -0.05 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1ibe h VAL 109 Cb 1.41 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1ibe h VAL 109 CO 0.16 0.24 0.52 0.25 0.02 0.00 0.00 177.57 178.75 1ibe h LEU 110 N 1.04 0.85 -0.64 2.57 5.85 -0.34 -0.99 115.31 123.67 1ibe h LEU 110 Ca 0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1ibe h LEU 110 Cb -0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1ibe h LEU 110 CO -0.05 0.58 0.29 0.58 -0.34 0.00 0.00 178.44 179.50 1ibe h VAL 111 N 1.00 1.22 -0.46 1.05 2.07 -0.53 0.31 116.25 120.91 1ibe h VAL 111 Ca 0.34 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1ibe h VAL 111 Cb 0.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ibe h VAL 111 CO -0.13 0.27 0.19 0.58 0.02 0.00 0.00 177.57 178.49 1ibe h VAL 112 N 0.88 1.17 -0.32 2.57 2.07 -0.19 -1.92 116.25 120.51 1ibe h VAL 112 Ca 0.22 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1ibe h VAL 112 Cb 0.15 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ibe h VAL 112 CO -0.02 0.21 -0.28 0.58 0.02 0.00 0.00 177.57 178.08 1ibe h VAL 113 N 0.66 1.29 -0.82 2.57 2.07 -0.46 -1.44 116.25 120.12 1ibe h VAL 113 Ca 0.16 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1ibe h VAL 113 Cb 0.13 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1ibe h VAL 113 CO -0.02 0.47 0.53 -0.07 0.02 0.00 0.00 177.57 178.50 1ibe h LEU 114 N 0.52 0.96 -0.44 2.57 3.38 -0.71 -0.57 115.31 121.02 1ibe h LEU 114 Ca 0.06 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ibe h LEU 114 Cb 0.85 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1ibe h LEU 114 CO 0.07 0.71 0.22 0.00 0.09 0.00 0.00 178.44 179.54 1ibe h ALA 115 N 1.29 0.56 -0.54 1.53 0.00 -1.18 0.13 119.26 121.05 1ibe h ALA 115 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ibe h ALA 115 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ibe h ALA 115 CO -0.06 -0.13 0.30 -0.09 0.00 0.00 0.00 179.25 179.27 1ibe h ARG 116 N 0.45 0.75 -0.02 0.00 2.43 -0.71 0.28 114.38 117.56 1ibe h ARG 116 Ca 0.19 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1ibe h ARG 116 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1ibe h ARG 116 CO -0.13 0.58 -0.82 0.45 -1.51 0.00 0.00 179.97 178.54 1ibe h HIS 117 N 0.73 0.38 -0.00 2.20 3.86 -0.96 -3.34 115.15 118.01 1ibe h HIS 117 Ca 0.19 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ibe h HIS 117 Cb 0.04 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1ibe h HIS 117 CO -0.02 0.97 -0.84 1.19 0.86 0.00 0.00 177.93 180.09 1ibe n PHE 118 N -3.73 0.00 -1.38 2.45 3.72 0.02 -5.04 117.46 113.50 1ibe n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1ibe n PHE 118 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1ibe n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ibe n GLY 119 N 1.43 3.26 0.02 1.37 0.00 0.98 -2.59 105.19 109.66 1ibe n GLY 119 Ca 0.04 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1ibe n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibe n LYS 120 N 14.00 0.02 0.18 1.61 5.02 -1.26 -0.73 118.16 137.00 1ibe n LYS 120 Ca 0.00 0.31 0.05 0.00 -2.02 0.00 0.00 58.31 56.66 1ibe n LYS 120 Cb 0.00 -1.55 0.29 0.00 -0.02 0.00 0.00 35.03 33.75 1ibe n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ibe h ASP 121 N 0.00 0.00 -0.91 4.39 3.32 -1.90 -3.30 116.42 118.02 1ibe h ASP 121 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 1ibe h ASP 121 Cb 0.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.65 1ibe h ASP 121 CO 0.00 0.40 2.45 0.33 -1.72 0.00 0.00 179.24 180.69 1ibe n PHE 122 N -3.47 3.06 -0.76 4.55 7.35 0.09 -4.94 117.46 123.33 1ibe n PHE 122 Ca 0.00 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 1ibe n PHE 122 Cb 0.55 -2.14 0.19 0.00 0.35 0.00 0.00 39.48 38.43 1ibe n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ibe s THR 123 N 1.16 2.22 0.30 -2.13 -4.23 -1.25 -4.73 115.64 106.99 1ibe s THR 123 Ca 0.44 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1ibe s THR 123 Cb 0.12 -2.22 0.28 0.00 1.34 0.00 0.00 72.50 72.02 1ibe s THR 123 CO -0.03 -0.09 1.90 -0.65 -0.54 0.00 0.00 174.62 175.21 1ibe h PRO 124 N -2.06 0.98 -0.52 3.99 0.11 -1.94 0.11 132.00 132.68 1ibe h PRO 124 Ca -0.51 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 1ibe h PRO 124 Cb 1.29 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1ibe h PRO 124 CO 0.48 0.65 -0.09 0.93 -0.21 0.00 0.00 178.00 179.76 1ibe h GLU 125 N 1.01 0.98 -0.55 1.05 3.07 -1.99 -0.58 114.58 117.57 1ibe h GLU 125 Ca 0.40 -0.36 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1ibe h GLU 125 Cb 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1ibe h GLU 125 CO -0.16 1.03 -0.03 1.25 -1.40 0.00 0.00 179.01 179.70 1ibe h LEU 126 N 0.85 0.95 -0.94 1.33 5.85 -1.69 -1.73 115.31 119.92 1ibe h LEU 126 Ca 0.14 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ibe h LEU 126 Cb 0.65 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1ibe h LEU 126 CO 0.04 1.02 0.62 -0.61 -0.34 0.00 0.00 178.44 179.18 1ibe h GLN 127 N 0.88 1.21 -0.77 1.25 4.15 -0.73 -0.01 115.11 121.09 1ibe h GLN 127 Ca 0.15 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1ibe h GLN 127 Cb 0.56 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1ibe h GLN 127 CO 0.03 0.80 0.37 0.00 -1.93 0.00 0.00 178.83 178.11 1ibe h ALA 128 N 1.36 1.00 -0.49 3.38 0.00 -0.67 0.62 119.26 124.45 1ibe h ALA 128 Ca 0.35 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ibe h ALA 128 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1ibe h ALA 128 CO -0.09 0.56 0.32 0.77 0.00 0.00 0.00 179.25 180.81 1ibe h SER 129 N 1.09 0.54 0.10 0.00 0.02 -0.82 -2.31 113.55 112.18 1ibe h SER 129 Ca 0.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1ibe h SER 129 Cb 0.11 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1ibe h SER 129 CO -0.03 0.39 -0.10 1.88 -1.14 0.00 0.00 176.83 177.82 1ibe h TYR 130 N 0.64 0.00 -0.31 3.45 0.05 -0.44 0.16 116.97 120.52 1ibe h TYR 130 Ca 0.19 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 1ibe h TYR 130 Cb -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1ibe h TYR 130 CO -0.05 0.10 -0.17 1.96 -1.05 0.00 0.00 178.16 178.96 1ibe h GLN 131 N 0.00 0.57 -0.44 4.88 1.08 -0.37 0.19 115.11 121.02 1ibe h GLN 131 Ca -0.00 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 56.91 1ibe h GLN 131 Cb 0.18 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1ibe h GLN 131 CO 0.01 0.71 -0.15 0.87 -0.95 0.00 0.00 178.83 179.32 1ibe h LYS 132 N 0.51 0.82 -0.19 1.46 1.57 -0.60 -1.12 116.57 119.03 1ibe h LYS 132 Ca 0.09 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1ibe h LYS 132 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1ibe h LYS 132 CO 0.04 0.93 0.02 0.28 -0.57 0.00 0.00 179.45 180.15 1ibe h VAL 133 N 0.73 1.23 -0.24 0.50 2.07 -0.21 0.89 116.25 121.22 1ibe h VAL 133 Ca 0.11 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1ibe h VAL 133 Cb 0.66 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1ibe h VAL 133 CO 0.05 0.24 -0.16 -0.37 0.02 0.00 0.00 177.57 177.34 1ibe h VAL 134 N 0.11 1.23 -0.36 2.57 -1.51 -0.62 0.49 116.25 118.15 1ibe h VAL 134 Ca 0.06 -1.02 -0.14 0.00 -1.23 0.00 0.00 66.70 64.37 1ibe h VAL 134 Cb 0.33 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1ibe h VAL 134 CO 0.01 0.33 -0.34 0.00 -1.23 0.00 0.00 177.57 176.33 1ibe h ALA 135 N 1.46 0.72 -0.78 5.19 0.00 -1.01 -0.23 119.26 124.61 1ibe h ALA 135 Ca 0.07 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1ibe h ALA 135 Cb 0.50 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ibe h ALA 135 CO 0.03 0.66 0.48 0.78 0.00 0.00 0.00 179.25 181.21 1ibe h GLY 136 N 0.91 1.16 0.85 0.00 0.00 0.18 0.19 103.07 106.35 1ibe h GLY 136 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1ibe h GLY 136 CO 0.08 0.27 -0.27 -2.08 0.00 0.00 0.00 176.54 174.54 1ibe h VAL 137 N 0.91 1.34 -0.51 4.60 2.07 -0.76 -2.16 116.25 121.75 1ibe h VAL 137 Ca 0.33 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1ibe h VAL 137 Cb 0.10 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1ibe h VAL 137 CO -0.15 0.45 0.32 0.00 0.02 0.00 0.00 177.57 178.21 1ibe h ALA 138 N 0.61 0.65 -0.43 1.67 0.00 -0.82 -1.94 119.26 119.00 1ibe h ALA 138 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ibe h ALA 138 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ibe h ALA 138 CO 0.06 0.05 -0.23 -0.91 0.00 0.00 0.00 179.25 178.22 1ibe h ASN 139 N 0.65 0.91 0.41 0.00 2.35 -0.96 -2.25 115.58 116.69 1ibe h ASN 139 Ca 0.20 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1ibe h ASN 139 Cb -0.03 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 1ibe h ASN 139 CO -0.07 1.10 -0.11 0.00 -1.65 0.00 0.00 177.43 176.70 1ibe h ALA 140 N 0.96 1.24 0.00 -0.83 0.00 -1.07 -0.73 119.26 118.84 1ibe h ALA 140 Ca 0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ibe h ALA 140 Cb 0.78 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1ibe h ALA 140 CO 0.06 0.14 -1.06 -0.07 0.00 0.00 0.00 179.25 178.32 1ibe h LEU 141 N 0.00 0.00 -0.20 0.00 3.38 -1.10 -3.03 115.31 114.36 1ibe h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ibe h LEU 141 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ibe h LEU 141 CO 0.01 0.87 -0.04 0.00 0.09 0.00 0.00 178.44 179.37 1ibe n ALA 142 N -2.36 2.66 0.25 1.53 0.00 -0.87 -4.28 120.51 117.44 1ibe n ALA 142 Ca -0.03 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1ibe n ALA 142 Cb 0.91 -1.40 0.67 0.00 0.00 0.00 0.00 19.45 19.62 1ibe n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ibe h HIS 143 N 0.50 0.00 -0.24 0.00 2.07 -1.00 -3.24 115.15 113.24 1ibe h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ibe h HIS 143 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 1ibe h HIS 143 CO 0.00 0.15 0.00 1.63 -3.07 0.00 0.00 177.93 176.64 1ibe n LYS 144 N -3.67 2.15 -0.03 5.12 4.76 -1.26 -4.00 118.16 121.23 1ibe n LYS 144 Ca -0.02 -1.73 -0.04 0.00 -2.87 0.00 0.00 58.31 53.66 1ibe n LYS 144 Cb 0.27 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.86 1ibe n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ibe n TYR 145 N 0.97 0.59 1.52 2.13 4.02 -1.22 -4.96 117.16 120.21 1ibe n TYR 145 Ca 0.17 0.20 0.14 0.00 -0.01 0.00 0.00 57.90 58.41 1ibe n TYR 145 Cb 0.49 -1.03 0.55 0.00 -0.02 0.00 0.00 39.34 39.33 1ibe n TYR 145 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43