#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkm s GLN 4 N 0.00 4.39 0.08 3.44 -2.07 -1.26 -4.99 119.66 119.26 2bkm s GLN 4 Ca 0.00 1.97 -0.31 0.00 -1.82 0.00 0.00 55.36 55.20 2bkm s GLN 4 Cb 0.00 -3.25 -0.08 0.00 -1.09 0.00 0.00 33.01 28.59 2bkm s GLN 4 CO 0.00 -0.28 1.47 -0.46 -1.32 0.00 0.00 175.29 174.70 2bkm s TRP 5 N 0.61 2.95 0.00 9.60 -0.11 -1.26 -5.02 118.94 125.71 2bkm s TRP 5 Ca 0.59 0.75 -0.17 0.00 1.22 0.00 0.00 56.10 58.49 2bkm s TRP 5 Cb -0.34 -3.77 0.03 0.00 -1.50 0.00 0.00 33.47 27.89 2bkm s TRP 5 CO 0.33 -2.83 0.36 1.14 -4.62 0.00 0.00 176.95 171.33 2bkm s GLN 6 N 1.77 0.77 0.66 5.86 -2.07 -1.26 -5.15 119.66 120.23 2bkm s GLN 6 Ca 0.67 -0.24 -0.15 0.00 -1.82 0.00 0.00 55.36 53.82 2bkm s GLN 6 Cb -0.37 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 31.89 2bkm s GLN 6 CO 0.30 -0.23 1.11 0.95 -1.32 0.00 0.00 175.29 176.10 2bkm s THR 7 N -1.73 3.22 0.36 3.63 -4.23 -1.26 -4.86 115.64 110.78 2bkm s THR 7 Ca -0.10 0.57 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 2bkm s THR 7 Cb -0.03 -3.09 0.17 0.00 1.34 0.00 0.00 72.50 70.89 2bkm s THR 7 CO 0.02 -0.35 1.91 0.25 -0.54 0.00 0.00 174.62 175.92 2bkm h LEU 8 N 0.04 0.39 -0.08 4.79 5.85 -1.88 0.73 115.31 125.16 2bkm h LEU 8 Ca -0.47 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.23 2bkm h LEU 8 Cb 1.25 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2bkm h LEU 8 CO 0.54 0.47 -0.24 0.22 -0.34 0.00 0.00 178.44 179.09 2bkm h TYR 9 N 0.40 -0.64 -0.69 1.25 5.03 -1.37 -1.42 116.97 119.54 2bkm h TYR 9 Ca 0.09 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 2bkm h TYR 9 Cb 0.30 0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 2bkm h TYR 9 CO 0.01 -0.32 0.21 1.49 -1.32 0.00 0.00 178.16 178.22 2bkm h GLU 10 N -0.33 1.07 -0.75 1.82 4.81 -1.71 0.31 114.58 119.80 2bkm h GLU 10 Ca 0.08 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2bkm h GLU 10 Cb 0.45 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2bkm h GLU 10 CO -0.27 0.93 0.49 0.00 -0.73 0.00 0.00 179.01 179.43 2bkm h ALA 11 N 1.09 1.53 -0.01 2.92 0.00 -0.30 -1.02 119.26 123.48 2bkm h ALA 11 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bkm h ALA 11 Cb 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bkm h ALA 11 CO -0.01 0.41 -0.00 0.44 0.00 0.00 0.00 179.25 180.09 2bkm n ILE 12 N -4.44 0.00 0.00 0.00 -5.35 -0.59 -4.89 119.36 104.08 2bkm n ILE 12 Ca 0.09 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2bkm n ILE 12 Cb 0.09 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2bkm n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkm n GLY 13 N 1.14 1.08 7.00 3.28 0.00 -0.38 -4.72 105.19 112.59 2bkm n GLY 13 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2bkm n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkm n GLY 14 N -1.74 2.26 0.25 -0.02 0.00 0.11 -3.67 105.19 102.37 2bkm n GLY 14 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.60 2bkm n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bkm h GLU 15 N 0.00 0.36 -0.66 1.61 4.22 -1.97 -0.72 114.58 117.42 2bkm h GLU 15 Ca 0.00 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.43 2bkm h GLU 15 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2bkm h GLU 15 CO 0.00 0.24 0.44 1.49 -2.18 0.00 0.00 179.01 179.00 2bkm h GLU 16 N 0.37 0.87 -0.23 1.92 4.81 -1.98 0.18 114.58 120.53 2bkm h GLU 16 Ca 0.34 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2bkm h GLU 16 Cb 0.49 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2bkm h GLU 16 CO -0.37 0.58 -0.07 1.15 -0.73 0.00 0.00 179.01 179.57 2bkm h THR 17 N 0.90 1.29 -0.52 0.32 2.02 -1.26 -1.51 112.91 114.15 2bkm h THR 17 Ca 0.24 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2bkm h THR 17 Cb -0.10 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2bkm h THR 17 CO -0.06 0.33 0.28 0.58 0.37 0.00 0.00 175.52 177.03 2bkm h VAL 18 N 0.18 1.18 -0.26 3.16 2.07 -0.73 0.82 116.25 122.67 2bkm h VAL 18 Ca 0.06 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2bkm h VAL 18 Cb 0.53 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2bkm h VAL 18 CO 0.02 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.93 2bkm h ALA 19 N 1.12 0.33 -0.80 1.67 0.00 -0.56 -0.46 119.26 120.56 2bkm h ALA 19 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bkm h ALA 19 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2bkm h ALA 19 CO -0.03 -0.10 0.43 0.87 0.00 0.00 0.00 179.25 180.42 2bkm h LYS 20 N 0.28 1.13 -0.12 0.00 1.57 -1.08 -1.81 116.57 116.54 2bkm h LYS 20 Ca 0.09 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2bkm h LYS 20 Cb 0.13 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2bkm h LYS 20 CO -0.01 0.84 0.05 1.25 -0.57 0.00 0.00 179.45 181.01 2bkm h LEU 21 N 1.12 0.17 -0.50 2.94 5.85 -0.60 -1.60 115.31 122.69 2bkm h LEU 21 Ca 0.28 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bkm h LEU 21 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2bkm h LEU 21 CO -0.04 0.28 0.28 0.58 -0.34 0.00 0.00 178.44 179.20 2bkm h VAL 22 N 0.04 1.17 -0.55 1.05 2.07 -0.94 0.14 116.25 119.22 2bkm h VAL 22 Ca 0.04 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2bkm h VAL 22 Cb 0.17 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2bkm h VAL 22 CO -0.00 0.18 0.31 -0.08 0.02 0.00 0.00 177.57 177.99 2bkm h GLU 23 N 0.67 0.59 -0.24 1.57 4.81 -1.18 -0.83 114.58 119.97 2bkm h GLU 23 Ca 0.18 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 2bkm h GLU 23 Cb 0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2bkm h GLU 23 CO -0.03 0.39 -0.49 0.00 -0.73 0.00 0.00 179.01 178.15 2bkm h ALA 24 N 1.27 0.68 -0.19 2.92 0.00 -0.94 -2.63 119.26 120.36 2bkm h ALA 24 Ca 0.23 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2bkm h ALA 24 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bkm h ALA 24 CO -0.13 0.68 0.10 0.35 0.00 0.00 0.00 179.25 180.25 2bkm h PHE 25 N 0.52 0.27 0.00 0.00 3.04 -0.30 -2.45 116.94 118.02 2bkm h PHE 25 Ca 0.02 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 2bkm h PHE 25 Cb 1.04 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2bkm h PHE 25 CO 0.05 0.26 -0.19 1.88 -2.02 0.00 0.00 178.31 178.29 2bkm h TYR 26 N 0.20 0.00 -0.78 0.41 -1.99 -1.13 0.34 116.97 114.02 2bkm h TYR 26 Ca 0.07 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 2bkm h TYR 26 Cb 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 2bkm h TYR 26 CO -0.03 0.19 0.33 0.00 -0.00 0.00 0.00 178.16 178.64 2bkm h ARG 27 N 0.00 1.16 -0.24 4.88 3.08 -1.24 -1.51 114.38 120.51 2bkm h ARG 27 Ca -0.00 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 2bkm h ARG 27 Cb 0.82 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 2bkm h ARG 27 CO 0.02 0.93 -0.31 0.00 -1.07 0.00 0.00 179.97 179.54 2bkm h ARG 28 N 1.13 0.64 -0.75 0.04 2.47 -0.79 -3.11 114.38 114.01 2bkm h ARG 28 Ca 0.26 -0.36 0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2bkm h ARG 28 Cb 0.19 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 2bkm h ARG 28 CO -0.02 0.97 0.46 0.28 0.56 0.00 0.00 179.97 182.22 2bkm h VAL 29 N 0.35 1.07 0.00 2.04 2.07 -0.84 -1.73 116.25 119.21 2bkm h VAL 29 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2bkm h VAL 29 Cb 0.89 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2bkm h VAL 29 CO 0.07 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.71 2bkm h ALA 30 N 1.33 1.21 -0.01 1.67 0.00 -1.25 -1.45 119.26 120.77 2bkm h ALA 30 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2bkm h ALA 30 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bkm h ALA 30 CO -0.13 0.14 -0.52 0.00 0.00 0.00 0.00 179.25 178.74 2bkm n ALA 31 N -2.24 3.65 -2.63 0.00 0.00 -0.74 -4.74 120.51 113.81 2bkm n ALA 31 Ca -0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 2bkm n ALA 31 Cb 0.26 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 2bkm n ALA 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bkm s HIS 32 N -2.72 3.28 0.44 0.00 2.46 -0.55 -4.93 115.29 113.27 2bkm s HIS 32 Ca 0.16 0.79 0.35 0.00 0.47 0.00 0.00 55.06 56.83 2bkm s HIS 32 Cb 0.18 -2.81 1.82 0.00 -0.13 0.00 0.00 32.58 31.64 2bkm s HIS 32 CO 0.65 -0.31 2.18 -1.00 -2.47 0.00 0.00 174.74 173.79 2bkm h PRO 33 N 7.89 0.00 0.00 2.88 0.13 -1.92 0.42 132.00 141.41 2bkm h PRO 33 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2bkm h PRO 33 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2bkm h PRO 33 CO 0.76 0.04 -0.34 -0.25 -0.23 0.00 0.00 178.00 177.98 2bkm n ASP 34 N -3.32 0.69 -0.04 1.44 8.00 -1.26 -4.41 116.55 117.65 2bkm n ASP 34 Ca -0.02 0.30 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 2bkm n ASP 34 Cb 0.18 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2bkm n ASP 34 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bkm n LEU 35 N -2.10 2.25 -0.32 0.64 4.77 -0.33 -4.72 117.00 117.20 2bkm n LEU 35 Ca 0.05 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 2bkm n LEU 35 Cb 0.42 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.61 2bkm n LEU 35 CO 0.33 0.50 1.05 -0.09 -1.33 0.00 0.00 177.39 177.86 2bkm h ARG 36 N -0.10 0.30 -0.92 3.23 2.43 -0.28 -1.09 114.38 117.95 2bkm h ARG 36 Ca -0.20 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2bkm h ARG 36 Cb 1.27 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.66 2bkm h ARG 36 CO -0.06 0.20 0.55 -1.35 -1.51 0.00 0.00 179.97 177.79 2bkm h PRO 37 N 0.31 0.82 0.00 0.20 0.11 -1.81 -3.07 132.00 128.56 2bkm h PRO 37 Ca 0.65 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.71 2bkm h PRO 37 Cb 1.37 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bkm h PRO 37 CO -0.61 0.54 -0.86 0.44 -0.21 0.00 0.00 178.00 177.31 2bkm n ILE 38 N -4.72 0.01 -2.98 4.15 -5.35 -0.43 -4.90 119.36 105.14 2bkm n ILE 38 Ca 0.18 -0.02 -0.30 0.00 -0.27 0.00 0.00 62.75 62.33 2bkm n ILE 38 Cb 0.37 0.69 -0.04 0.00 -1.74 0.00 0.00 39.64 38.93 2bkm n ILE 38 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2bkm s PHE 39 N -3.02 3.46 0.63 4.28 0.08 -1.11 -5.05 117.98 117.25 2bkm s PHE 39 Ca 0.08 0.99 -0.18 0.00 0.12 0.00 0.00 56.93 57.94 2bkm s PHE 39 Cb 0.16 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2bkm s PHE 39 CO 0.81 -0.03 1.24 -2.14 -0.10 0.00 0.00 175.22 175.00 2bkm s PRO 40 N -3.68 2.74 0.23 0.24 0.02 -1.26 -4.90 135.00 128.40 2bkm s PRO 40 Ca 0.50 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 2bkm s PRO 40 Cb -0.10 -1.89 0.40 0.00 0.02 0.00 0.00 34.50 32.93 2bkm s PRO 40 CO 0.29 -1.41 1.73 -0.44 -0.33 0.00 0.00 177.00 176.85 2bkm h ASP 41 N 0.65 0.27 -3.64 2.53 3.45 -1.96 -3.37 116.42 114.35 2bkm h ASP 41 Ca -0.50 0.10 -0.65 0.00 0.43 0.00 0.00 57.03 56.40 2bkm h ASP 41 Cb 1.31 0.08 -0.23 0.00 -0.56 0.00 0.00 39.33 39.93 2bkm h ASP 41 CO 0.54 0.12 -0.62 -0.62 -1.57 0.00 0.00 179.24 177.08 2bkm s ASP 42 N -5.36 5.13 -0.04 6.45 2.15 -1.26 -4.98 116.67 118.76 2bkm s ASP 42 Ca -0.13 -0.24 0.13 0.00 0.43 0.00 0.00 52.55 52.74 2bkm s ASP 42 Cb 0.19 -1.92 0.43 0.00 -0.30 0.00 0.00 42.92 41.32 2bkm s ASP 42 CO 0.76 -0.05 1.32 0.18 -0.17 0.00 0.00 175.17 177.21 2bkm n LEU 43 N 4.92 2.85 0.27 -1.34 4.77 -1.26 -4.52 117.00 122.69 2bkm n LEU 43 Ca -0.16 -1.43 -0.16 0.00 -0.03 0.00 0.00 56.01 54.23 2bkm n LEU 43 Cb 0.51 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2bkm n LEU 43 CO 0.31 0.57 0.69 0.74 -1.33 0.00 0.00 177.39 178.37 2bkm h THR 44 N 2.61 0.44 -0.53 -5.08 2.02 -1.95 -0.79 112.91 109.62 2bkm h THR 44 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2bkm h THR 44 Cb 0.83 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2bkm h THR 44 CO 0.08 0.00 0.08 -0.08 0.37 0.00 0.00 175.52 175.98 2bkm h GLU 45 N -0.69 0.88 -0.46 6.66 4.81 -2.00 -1.92 114.58 121.85 2bkm h GLU 45 Ca -0.05 -0.24 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 2bkm h GLU 45 Cb 0.56 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 2bkm h GLU 45 CO 0.06 0.86 0.03 1.15 -0.73 0.00 0.00 179.01 180.38 2bkm h THR 46 N 0.77 0.67 -0.37 0.32 2.02 -1.81 -1.12 112.91 113.38 2bkm h THR 46 Ca 0.16 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 2bkm h THR 46 Cb 0.41 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2bkm h THR 46 CO 0.01 0.03 -0.29 0.00 0.37 0.00 0.00 175.52 175.64 2bkm h ALA 47 N 1.40 0.79 -0.30 6.16 0.00 -0.89 -0.50 119.26 125.91 2bkm h ALA 47 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bkm h ALA 47 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bkm h ALA 47 CO -0.36 0.65 0.20 1.25 0.00 0.00 0.00 179.25 180.98 2bkm h HIS 48 N 0.68 0.37 -0.31 0.00 6.17 -0.95 -0.28 115.15 120.82 2bkm h HIS 48 Ca 0.08 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.07 2bkm h HIS 48 Cb 0.82 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 2bkm h HIS 48 CO 0.04 0.23 -0.22 0.87 0.71 0.00 0.00 177.93 179.57 2bkm h LYS 49 N 0.40 0.60 -0.34 5.26 1.57 -0.85 -2.30 116.57 120.92 2bkm h LYS 49 Ca 0.11 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 2bkm h LYS 49 Cb -0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2bkm h LYS 49 CO -0.03 0.77 -0.38 0.37 -0.57 0.00 0.00 179.45 179.61 2bkm h GLN 50 N 0.53 0.81 -0.83 3.15 5.75 -0.72 0.22 115.11 124.02 2bkm h GLN 50 Ca 0.08 -0.42 -0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2bkm h GLN 50 Cb 0.66 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 2bkm h GLN 50 CO 0.05 1.05 0.51 -0.22 -2.65 0.00 0.00 178.83 177.56 2bkm h LYS 51 N 0.66 1.12 -0.21 1.69 3.64 -0.89 0.26 116.57 122.85 2bkm h LYS 51 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2bkm h LYS 51 Cb 0.95 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2bkm h LYS 51 CO 0.09 0.79 0.07 1.96 -2.27 0.00 0.00 179.45 180.09 2bkm h GLN 52 N 1.14 0.32 -0.12 1.90 4.20 -0.94 -1.68 115.11 119.93 2bkm h GLN 52 Ca 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2bkm h GLN 52 Cb -0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2bkm h GLN 52 CO -0.06 0.41 0.04 0.35 -0.67 0.00 0.00 178.83 178.91 2bkm h PHE 53 N 0.17 0.19 -0.76 2.96 3.57 -0.21 -2.35 116.94 120.50 2bkm h PHE 53 Ca 0.07 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2bkm h PHE 53 Cb 0.22 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2bkm h PHE 53 CO -0.00 0.29 0.33 -0.07 -2.23 0.00 0.00 178.31 176.63 2bkm h LEU 54 N 0.03 1.01 -0.39 0.59 3.38 -0.46 0.35 115.31 119.82 2bkm h LEU 54 Ca 0.04 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2bkm h LEU 54 Cb 0.19 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2bkm h LEU 54 CO -0.00 0.88 0.10 0.74 0.09 0.00 0.00 178.44 180.25 2bkm h THR 55 N 1.09 0.84 -0.29 0.22 2.02 -1.08 0.23 112.91 115.94 2bkm h THR 55 Ca 0.26 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.21 2bkm h THR 55 Cb 0.16 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2bkm h THR 55 CO -0.03 0.04 -0.38 -0.61 0.37 0.00 0.00 175.52 174.92 2bkm h GLN 56 N 0.24 0.77 -0.32 6.66 4.15 -0.86 0.82 115.11 126.57 2bkm h GLN 56 Ca 0.18 -0.44 0.01 0.00 0.77 0.00 0.00 58.65 59.18 2bkm h GLN 56 Cb 0.20 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2bkm h GLN 56 CO -0.22 1.07 0.21 -0.92 -1.93 0.00 0.00 178.83 177.04 2bkm h TYR 57 N 0.52 0.36 -0.00 3.99 5.03 0.05 -1.04 116.97 125.88 2bkm h TYR 57 Ca 0.04 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2bkm h TYR 57 Cb 0.97 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2bkm h TYR 57 CO 0.07 0.22 -0.01 1.28 -1.32 0.00 0.00 178.16 178.41 2bkm n LEU 58 N -4.49 0.13 0.00 2.82 4.77 0.04 -4.89 117.00 115.38 2bkm n LEU 58 Ca 0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2bkm n LEU 58 Cb 0.10 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2bkm n LEU 58 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2bkm n GLY 59 N 1.12 0.80 0.00 -0.72 0.00 -0.39 -0.93 105.19 105.06 2bkm n GLY 59 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2bkm n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkm n GLY 60 N -2.27 -1.34 3.66 -0.02 0.00 0.27 -4.87 105.19 100.62 2bkm n GLY 60 Ca 0.00 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2bkm n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bkm n PRO 61 N -0.95 1.35 -1.12 1.61 -0.02 -1.26 -4.49 135.00 130.10 2bkm n PRO 61 Ca 0.00 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 2bkm n PRO 61 Cb 0.00 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 2bkm n PRO 61 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bkm n PRO 62 N -0.69 3.11 0.13 0.52 -0.04 -1.26 -3.41 135.00 133.36 2bkm n PRO 62 Ca 0.11 -1.95 0.02 0.00 -0.04 0.00 0.00 63.50 61.64 2bkm n PRO 62 Cb 0.44 -2.69 0.37 0.00 -0.04 0.00 0.00 33.50 31.57 2bkm n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bkm h LEU 63 N 7.60 0.19 -0.01 1.53 3.38 -1.87 -1.14 115.31 124.99 2bkm h LEU 63 Ca 0.74 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.60 2bkm h LEU 63 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bkm h LEU 63 CO 1.68 0.41 -0.21 0.22 0.09 0.00 0.00 178.44 180.62 2bkm h TYR 64 N 0.19 0.24 -0.42 1.13 3.20 -1.82 -3.03 116.97 116.46 2bkm h TYR 64 Ca 0.03 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2bkm h TYR 64 Cb 0.46 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2bkm h TYR 64 CO 0.01 0.89 0.23 1.15 -1.64 0.00 0.00 178.16 178.79 2bkm h THR 65 N -0.47 1.13 -0.38 1.81 2.02 -1.64 0.24 112.91 115.62 2bkm h THR 65 Ca -0.02 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2bkm h THR 65 Cb 0.94 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2bkm h THR 65 CO 0.04 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.25 2bkm h ALA 66 N 1.67 1.60 0.01 6.16 0.00 -1.14 -0.55 119.26 127.01 2bkm h ALA 66 Ca 0.15 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.61 2bkm h ALA 66 Cb 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2bkm h ALA 66 CO -0.02 0.33 -2.28 -1.91 0.00 0.00 0.00 179.25 175.36 2bkm n GLU 67 N -4.41 0.68 0.00 0.00 2.13 -0.76 -4.73 120.64 113.55 2bkm n GLU 67 Ca 0.02 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2bkm n GLU 67 Cb 0.12 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2bkm n GLU 67 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2bkm n HIS 68 N -2.93 0.00 -4.72 4.31 8.25 0.76 -5.12 115.22 115.77 2bkm n HIS 68 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 2bkm n HIS 68 Cb 1.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.21 2bkm n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bkm n GLY 69 N 0.46 0.29 3.67 -1.41 0.00 -0.22 -4.82 105.19 103.15 2bkm n GLY 69 Ca 0.00 -0.95 -0.58 0.00 0.00 0.00 0.00 46.02 44.49 2bkm n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bkm n HIS 70 N 0.00 1.76 -0.31 1.61 8.25 -1.26 -3.87 115.22 121.40 2bkm n HIS 70 Ca 0.00 0.70 0.15 0.00 -0.26 0.00 0.00 57.72 58.30 2bkm n HIS 70 Cb 0.00 -2.36 0.33 0.00 1.12 0.00 0.00 29.99 29.08 2bkm n HIS 70 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2bkm h PRO 71 N 5.86 0.33 -6.84 -0.41 0.11 -1.93 -3.46 132.00 125.66 2bkm h PRO 71 Ca -0.47 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.22 2bkm h PRO 71 Cb 1.34 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 2bkm h PRO 71 CO 0.89 0.22 -0.66 0.00 -0.21 0.00 0.00 178.00 178.24 2bkm n MET 72 N -5.09 -0.67 -0.09 1.05 0.00 -1.26 -4.78 117.12 106.27 2bkm n MET 72 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 57.70 57.77 2bkm n MET 72 Cb 0.71 -1.69 -0.02 0.00 0.00 0.00 0.00 33.22 32.23 2bkm n MET 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2bkm h LEU 73 N -0.75 0.37 -0.58 3.17 3.38 -1.99 -1.36 115.31 117.55 2bkm h LEU 73 Ca -0.46 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.44 2bkm h LEU 73 Cb 0.92 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2bkm h LEU 73 CO 0.39 0.34 0.39 -0.09 0.09 0.00 0.00 178.44 179.56 2bkm h ARG 74 N 0.38 0.76 -0.60 1.13 2.43 -1.91 -1.08 114.38 115.50 2bkm h ARG 74 Ca 0.11 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2bkm h ARG 74 Cb 0.05 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2bkm h ARG 74 CO -0.02 0.51 0.39 0.00 -1.51 0.00 0.00 179.97 179.34 2bkm h ALA 75 N 1.21 0.76 -0.11 2.80 0.00 -1.79 -1.14 119.26 120.99 2bkm h ALA 75 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2bkm h ALA 75 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2bkm h ALA 75 CO -0.05 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 2bkm h ARG 76 N 0.80 0.17 -0.00 0.00 3.08 -0.77 -2.40 114.38 115.26 2bkm h ARG 76 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2bkm h ARG 76 Cb -0.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2bkm h ARG 76 CO -0.05 0.31 -0.08 0.72 -1.07 0.00 0.00 179.97 179.79 2bkm n HIS 77 N -4.30 0.00 0.43 3.04 8.25 -0.45 -2.95 115.22 119.24 2bkm n HIS 77 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 2bkm n HIS 77 Cb 0.25 -0.34 0.47 0.00 1.12 0.00 0.00 29.99 31.49 2bkm n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bkm n LEU 78 N -1.33 0.59 0.15 2.41 4.77 -0.89 -2.20 117.00 120.50 2bkm n LEU 78 Ca 0.10 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 2bkm n LEU 78 Cb 0.30 -0.55 0.54 0.00 -2.33 0.00 0.00 43.42 41.37 2bkm n LEU 78 CO 0.26 -0.50 0.85 -1.14 -1.33 0.00 0.00 177.39 175.53 2bkm n ARG 79 N -2.15 0.17 -4.19 3.23 3.00 -1.15 -4.80 116.66 110.78 2bkm n ARG 79 Ca 0.02 0.52 -0.15 0.00 -0.00 0.00 0.00 57.85 58.24 2bkm n ARG 79 Cb 0.23 -1.92 -0.11 0.00 0.00 0.00 0.00 32.46 30.67 2bkm n ARG 79 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2bkm s PHE 80 N -3.42 1.12 -0.36 -0.14 0.40 -0.93 -5.10 117.98 109.55 2bkm s PHE 80 Ca 0.01 -0.64 -0.29 0.00 -0.60 0.00 0.00 56.93 55.42 2bkm s PHE 80 Cb 0.08 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 43.02 2bkm s PHE 80 CO 0.31 0.03 1.15 -2.00 0.70 0.00 0.00 175.22 175.40 2bkm s GLU 81 N -2.78 3.93 -0.34 0.44 2.12 -1.26 -4.93 118.70 115.88 2bkm s GLU 81 Ca 0.06 0.96 0.03 0.00 0.36 0.00 0.00 54.97 56.39 2bkm s GLU 81 Cb -0.03 -3.82 0.10 0.00 0.26 0.00 0.00 34.13 30.64 2bkm s GLU 81 CO 0.01 -1.09 0.05 0.42 -0.54 0.00 0.00 175.26 174.10 2bkm s ILE 82 N 4.06 2.37 0.56 -3.70 1.01 -1.26 -5.00 121.20 119.24 2bkm s ILE 82 Ca 0.49 -2.25 -0.04 0.00 0.00 0.00 0.00 60.65 58.85 2bkm s ILE 82 Cb -0.12 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2bkm s ILE 82 CO 0.22 -0.56 0.84 0.42 0.00 0.00 0.00 174.94 175.86 2bkm s THR 83 N 0.94 3.54 0.31 2.92 -4.23 -1.26 -0.20 115.64 117.66 2bkm s THR 83 Ca 0.09 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2bkm s THR 83 Cb -0.19 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.56 2bkm s THR 83 CO -0.07 -0.35 1.87 -0.65 -0.54 0.00 0.00 174.62 174.88 2bkm h PRO 84 N -0.04 0.90 -0.77 3.99 0.11 -1.89 -0.21 132.00 134.10 2bkm h PRO 84 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 2bkm h PRO 84 Cb 1.26 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2bkm h PRO 84 CO 0.59 0.60 0.48 -0.22 -0.21 0.00 0.00 178.00 179.24 2bkm h LYS 85 N 0.93 0.89 -0.36 1.05 3.64 -1.93 0.17 116.57 120.96 2bkm h LYS 85 Ca 0.45 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2bkm h LYS 85 Cb 0.46 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2bkm h LYS 85 CO -0.21 0.59 -0.34 0.00 -2.27 0.00 0.00 179.45 177.22 2bkm h ARG 86 N 0.92 0.81 -0.83 1.90 3.08 -1.61 0.70 114.38 119.35 2bkm h ARG 86 Ca 0.32 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2bkm h ARG 86 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2bkm h ARG 86 CO -0.13 1.02 0.43 0.00 -1.07 0.00 0.00 179.97 180.23 2bkm h ALA 87 N 0.94 1.07 -0.86 0.04 0.00 -0.33 0.11 119.26 120.21 2bkm h ALA 87 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2bkm h ALA 87 Cb 0.89 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2bkm h ALA 87 CO 0.08 0.60 0.45 0.93 0.00 0.00 0.00 179.25 181.31 2bkm h GLU 88 N 1.16 1.22 -0.61 0.00 4.39 -0.30 -0.03 114.58 120.42 2bkm h GLU 88 Ca 0.29 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2bkm h GLU 88 Cb 0.07 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2bkm h GLU 88 CO -0.04 0.91 0.12 0.00 -1.16 0.00 0.00 179.01 178.84 2bkm h ALA 89 N 1.24 0.80 -0.19 3.43 0.00 -0.06 0.19 119.26 124.67 2bkm h ALA 89 Ca 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bkm h ALA 89 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bkm h ALA 89 CO -0.04 0.54 0.10 2.35 0.00 0.00 0.00 179.25 182.19 2bkm h TRP 90 N 0.90 0.27 -0.56 0.00 7.01 -0.63 -0.13 115.95 122.81 2bkm h TRP 90 Ca 0.19 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 2bkm h TRP 90 Cb 0.39 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 2bkm h TRP 90 CO 0.03 0.26 0.16 -0.07 -2.79 0.00 0.00 178.44 176.04 2bkm h LEU 91 N 0.20 0.77 -0.64 0.65 3.38 -0.79 -0.19 115.31 118.70 2bkm h LEU 91 Ca 0.07 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2bkm h LEU 91 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bkm h LEU 91 CO -0.01 0.74 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 2bkm h ALA 92 N 1.37 0.85 -0.69 1.53 0.00 -0.26 0.75 119.26 122.81 2bkm h ALA 92 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2bkm h ALA 92 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bkm h ALA 92 CO -0.01 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2bkm h MET 94 N 0.99 0.58 -0.58 0.00 -1.53 -0.37 -0.14 114.93 113.88 2bkm h MET 94 Ca 0.23 -0.17 -0.02 0.00 -3.44 0.00 0.00 59.70 56.30 2bkm h MET 94 Cb 0.20 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 2bkm h MET 94 CO -0.02 0.69 0.30 0.00 0.14 0.00 0.00 176.91 178.02 2bkm h ARG 95 N 0.39 0.83 -0.83 0.39 3.08 -0.72 0.29 114.38 117.81 2bkm h ARG 95 Ca 0.10 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2bkm h ARG 95 Cb 0.42 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2bkm h ARG 95 CO 0.01 0.66 0.43 0.00 -1.07 0.00 0.00 179.97 180.00 2bkm h ALA 96 N 1.13 1.20 -0.43 0.04 0.00 -1.01 0.12 119.26 120.30 2bkm h ALA 96 Ca 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2bkm h ALA 96 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2bkm h ALA 96 CO -0.03 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 2bkm h ALA 97 N 1.30 0.59 -0.55 0.00 0.00 -0.52 0.99 119.26 121.07 2bkm h ALA 97 Ca 0.29 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2bkm h ALA 97 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2bkm h ALA 97 CO -0.04 0.43 0.36 0.52 0.00 0.00 0.00 179.25 180.51 2bkm h MET 98 N 0.63 0.70 -0.50 0.00 2.07 -0.60 -1.43 114.93 115.80 2bkm h MET 98 Ca 0.11 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 2bkm h MET 98 Cb 0.57 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 2bkm h MET 98 CO 0.03 0.47 0.27 -0.44 1.07 0.00 0.00 176.91 178.31 2bkm h ASP 99 N 0.73 0.63 -0.54 1.22 3.32 -0.79 -1.10 116.42 119.88 2bkm h ASP 99 Ca 0.20 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2bkm h ASP 99 Cb -0.07 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2bkm h ASP 99 CO -0.05 0.54 0.21 -0.08 -1.72 0.00 0.00 179.24 178.13 2bkm h GLU 100 N 0.67 0.87 -0.01 3.56 4.81 -0.26 -1.19 114.58 123.02 2bkm h GLU 100 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2bkm h GLU 100 Cb 0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2bkm h GLU 100 CO -0.03 0.73 -0.05 0.44 -0.73 0.00 0.00 179.01 179.37 2bkm n ILE 101 N -4.31 0.00 -1.39 2.32 -5.35 -0.59 -4.90 119.36 105.15 2bkm n ILE 101 Ca 0.05 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2bkm n ILE 101 Cb 0.18 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2bkm n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkm n GLY 102 N 1.17 0.42 3.71 3.28 0.00 -0.45 -5.02 105.19 108.30 2bkm n GLY 102 Ca 0.19 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 2bkm n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bkm s LEU 103 N 0.00 4.28 0.05 0.99 2.96 -0.45 -5.02 118.68 121.48 2bkm s LEU 103 Ca 0.00 1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 54.88 2bkm s LEU 103 Cb 0.00 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.69 2bkm s LEU 103 CO 0.00 -0.14 0.29 -0.94 -1.32 0.00 0.00 176.35 174.24 2bkm s SER 104 N 0.84 -0.10 0.00 3.68 1.04 -1.26 -4.44 113.70 113.46 2bkm s SER 104 Ca 0.35 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2bkm s SER 104 Cb -0.17 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2bkm s SER 104 CO 0.16 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2bkm n GLY 105 N 0.53 -1.20 0.15 7.32 0.00 -1.26 -4.52 105.19 106.20 2bkm n GLY 105 Ca -0.18 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.59 2bkm n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkm h PRO 106 N 5.29 0.02 -0.44 1.61 0.13 -2.00 -0.36 132.00 136.25 2bkm h PRO 106 Ca 0.00 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.97 2bkm h PRO 106 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2bkm h PRO 106 CO 0.00 0.60 -0.29 0.00 -0.23 0.00 0.00 178.00 178.08 2bkm h ALA 107 N 1.39 0.64 -0.48 -0.56 0.00 -1.92 -0.33 119.26 118.01 2bkm h ALA 107 Ca -0.01 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.55 2bkm h ALA 107 Cb 1.04 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2bkm h ALA 107 CO 0.08 0.68 0.16 -0.09 0.00 0.00 0.00 179.25 180.08 2bkm h ARG 108 N 0.82 0.32 -0.12 0.00 2.43 -1.60 -0.93 114.38 115.30 2bkm h ARG 108 Ca 0.09 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 2bkm h ARG 108 Cb 0.88 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2bkm h ARG 108 CO 0.08 0.21 -0.49 0.93 -1.51 0.00 0.00 179.97 179.19 2bkm h GLU 109 N 0.33 0.32 -0.42 0.20 4.39 -0.68 0.22 114.58 118.95 2bkm h GLU 109 Ca 0.23 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2bkm h GLU 109 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2bkm h GLU 109 CO -0.24 0.75 0.19 1.96 -1.16 0.00 0.00 179.01 180.50 2bkm h GLN 110 N 0.26 0.62 -0.14 2.33 4.20 -0.73 0.17 115.11 121.82 2bkm h GLN 110 Ca 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2bkm h GLN 110 Cb 0.96 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2bkm h GLN 110 CO 0.08 0.56 0.06 0.35 -0.67 0.00 0.00 178.83 179.22 2bkm h PHE 111 N 0.54 0.21 -0.77 2.96 -0.00 -0.79 -1.68 116.94 117.41 2bkm h PHE 111 Ca 0.14 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.14 2bkm h PHE 111 Cb 0.16 -0.06 -0.05 0.00 -0.00 0.00 0.00 35.95 35.99 2bkm h PHE 111 CO -0.00 0.28 0.48 -0.92 -0.00 0.00 0.00 178.31 178.14 2bkm h TYR 112 N 0.09 0.90 -0.44 0.41 5.03 -0.25 -0.96 116.97 121.74 2bkm h TYR 112 Ca 0.05 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 2bkm h TYR 112 Cb 0.15 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 2bkm h TYR 112 CO -0.02 0.50 0.08 0.45 -1.32 0.00 0.00 178.16 177.85 2bkm h HIS 113 N 0.92 0.69 -0.58 -3.82 3.86 -0.40 0.18 115.15 116.00 2bkm h HIS 113 Ca 0.32 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 2bkm h HIS 113 Cb 0.06 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2bkm h HIS 113 CO -0.04 0.61 0.28 0.00 0.86 0.00 0.00 177.93 179.64 2bkm h ARG 114 N 0.65 0.84 -0.44 2.45 3.08 -0.29 -2.06 114.38 118.61 2bkm h ARG 114 Ca 0.14 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2bkm h ARG 114 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2bkm h ARG 114 CO 0.00 0.68 0.03 -0.07 -1.07 0.00 0.00 179.97 179.54 2bkm h LEU 115 N 0.79 0.66 -0.52 3.04 3.38 0.04 -0.73 115.31 121.97 2bkm h LEU 115 Ca 0.20 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2bkm h LEU 115 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2bkm h LEU 115 CO -0.02 0.71 0.25 0.58 0.09 0.00 0.00 178.44 180.05 2bkm h VAL 116 N 0.66 0.93 -0.18 1.22 2.07 -0.28 0.25 116.25 120.92 2bkm h VAL 116 Ca 0.14 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2bkm h VAL 116 Cb 0.37 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2bkm h VAL 116 CO 0.01 0.09 0.02 -0.07 0.02 0.00 0.00 177.57 177.64 2bkm h LEU 117 N 0.49 0.30 -0.63 2.57 4.07 -0.85 -0.87 115.31 120.38 2bkm h LEU 117 Ca 0.23 -0.27 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2bkm h LEU 117 Cb 0.16 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 2bkm h LEU 117 CO -0.17 0.50 0.13 0.74 -1.08 0.00 0.00 178.44 178.55 2bkm h THR 118 N 0.09 1.26 -0.84 0.22 2.02 -0.91 -0.70 112.91 114.05 2bkm h THR 118 Ca 0.06 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2bkm h THR 118 Cb 0.33 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 2bkm h THR 118 CO 0.00 0.36 0.45 0.00 0.37 0.00 0.00 175.52 176.71 2bkm h ALA 119 N 1.04 1.08 -0.85 6.16 0.00 -0.41 -0.96 119.26 125.33 2bkm h ALA 119 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2bkm h ALA 119 Cb 0.39 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2bkm h ALA 119 CO 0.01 0.60 0.56 1.25 0.00 0.00 0.00 179.25 181.67 2bkm h HIS 120 N 1.18 1.05 0.00 0.00 6.17 -0.65 -0.98 115.15 121.93 2bkm h HIS 120 Ca 0.29 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.37 2bkm h HIS 120 Cb 0.05 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 29.62 2bkm h HIS 120 CO 0.01 0.65 -0.12 0.45 0.71 0.00 0.00 177.93 179.62 2bkm h HIS 121 N 1.12 0.00 0.00 5.26 3.86 0.11 -2.73 115.15 122.77 2bkm h HIS 121 Ca 0.32 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.39 2bkm h HIS 121 Cb -0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2bkm h HIS 121 CO -0.02 0.12 -0.83 0.52 0.86 0.00 0.00 177.93 178.59 2bkm h MET 122 N 0.00 0.00 -6.55 2.45 2.86 0.00 -3.46 114.93 110.22 2bkm h MET 122 Ca -0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 2bkm h MET 122 Cb 0.33 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.07 2bkm h MET 122 CO 0.02 0.54 0.61 0.28 1.06 0.00 0.00 176.91 179.42 2bkm n VAL 123 N -3.17 0.80 -1.16 -2.22 0.31 -0.93 -4.79 118.33 107.17 2bkm n VAL 123 Ca -0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2bkm n VAL 123 Cb 0.81 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 2bkm n VAL 123 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2bkm n ASN 124 N 2.32 0.00 -3.76 4.52 0.23 0.72 -5.02 115.26 114.28 2bkm n ASN 124 Ca 0.13 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.05 2bkm n ASN 124 Cb 0.30 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 2bkm n ASN 124 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2bkm s THR 125 N 0.00 -0.00 0.71 5.53 2.01 -0.94 -4.87 115.64 118.08 2bkm s THR 125 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 2bkm s THR 125 Cb 0.00 -0.46 0.03 0.00 0.01 0.00 0.00 72.50 72.07 2bkm s THR 125 CO 0.00 0.00 1.24 -2.84 -0.69 0.00 0.00 174.62 172.34 2bkm s PRO 126 N 0.22 2.21 0.75 4.92 0.02 -1.26 -4.06 135.00 137.79 2bkm s PRO 126 Ca -0.00 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.76 2bkm s PRO 126 Cb -0.03 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.72 2bkm s PRO 126 CO -0.00 -1.82 1.21 -0.51 -0.33 0.00 0.00 177.00 175.55 2bkm s ASP 127 N -1.78 4.05 -0.32 2.53 -0.00 -1.26 -4.84 116.67 115.05 2bkm s ASP 127 Ca 0.78 2.36 -0.22 0.00 -0.00 0.00 0.00 52.55 55.47 2bkm s ASP 127 Cb -0.33 -2.59 -0.00 0.00 -0.00 0.00 0.00 42.92 40.00 2bkm s ASP 127 CO 0.44 -2.36 0.73 -1.00 -0.00 0.00 0.00 175.17 172.98 2bkm s HIS 128 N -2.01 3.19 0.18 4.23 3.76 -1.26 -5.04 115.29 118.34 2bkm s HIS 128 Ca 0.74 0.68 0.09 0.00 -0.15 0.00 0.00 55.06 56.42 2bkm s HIS 128 Cb -0.29 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 2bkm s HIS 128 CO 0.47 -0.57 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.08 2bkm s LEU 129 N 2.87 2.46 0.00 0.89 1.43 -1.26 -5.14 118.68 119.93 2bkm s LEU 129 Ca 0.30 -0.89 0.26 0.00 -1.03 0.00 0.00 54.13 52.77 2bkm s LEU 129 Cb -0.14 -0.92 0.61 0.00 0.03 0.00 0.00 46.19 45.77 2bkm s LEU 129 CO 0.13 -0.00 1.50 0.47 0.23 0.00 0.00 176.35 178.68