#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbr s HIS 2 N 0.00 3.54 -0.20 1.45 5.65 -1.26 -5.08 115.29 119.39 1hbr s HIS 2 Ca 0.00 -2.33 -0.16 0.00 0.25 0.00 0.00 55.06 52.81 1hbr s HIS 2 Cb 0.00 -3.03 -0.04 0.00 -1.18 0.00 0.00 32.58 28.33 1hbr s HIS 2 CO 0.00 -0.94 0.42 -1.58 -0.65 0.00 0.00 174.74 171.99 1hbr s TRP 3 N 1.15 3.37 0.42 3.88 0.52 -1.26 -5.08 118.94 121.95 1hbr s TRP 3 Ca 0.06 0.64 -0.06 0.00 0.02 0.00 0.00 56.10 56.76 1hbr s TRP 3 Cb -0.22 -2.55 -0.05 0.00 -1.15 0.00 0.00 33.47 29.50 1hbr s TRP 3 CO -0.04 -0.03 0.74 0.95 0.02 0.00 0.00 176.95 178.59 1hbr s THR 4 N 1.37 4.90 0.24 2.01 -4.23 -1.26 -4.94 115.64 113.74 1hbr s THR 4 Ca 0.20 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1hbr s THR 4 Cb -0.15 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 70.10 1hbr s THR 4 CO 0.08 -0.66 1.83 0.00 -0.54 0.00 0.00 174.62 175.33 1hbr h ALA 5 N 0.77 1.19 -0.23 3.99 0.00 -1.99 -1.38 119.26 121.60 1hbr h ALA 5 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1hbr h ALA 5 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1hbr h ALA 5 CO 0.63 0.19 0.15 0.93 0.00 0.00 0.00 179.25 181.15 1hbr h GLU 6 N 0.89 0.31 0.60 0.00 3.07 -1.99 -1.24 114.58 116.22 1hbr h GLU 6 Ca 0.39 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 1hbr h GLU 6 Cb 0.27 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1hbr h GLU 6 CO -0.21 0.21 -0.29 0.93 -1.40 0.00 0.00 179.01 178.25 1hbr h GLU 7 N 0.31 -0.78 -0.99 2.33 5.08 -1.78 0.28 114.58 119.04 1hbr h GLU 7 Ca 0.09 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.66 1hbr h GLU 7 Cb -0.03 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 1hbr h GLU 7 CO -0.02 -0.51 0.62 0.87 -1.00 0.00 0.00 179.01 178.97 1hbr h LYS 8 N -0.83 0.81 0.77 2.33 1.57 -1.21 0.85 116.57 120.87 1hbr h LYS 8 Ca -0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1hbr h LYS 8 Cb 0.63 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1hbr h LYS 8 CO 0.14 0.54 -0.37 0.37 -0.57 0.00 0.00 179.45 179.55 1hbr h GLN 9 N 0.84 -1.00 -0.76 3.15 -0.00 -0.89 -0.31 115.11 116.13 1hbr h GLN 9 Ca 0.53 0.07 0.12 0.00 -0.00 0.00 0.00 58.65 59.37 1hbr h GLN 9 Cb 0.74 0.23 -0.05 0.00 0.00 0.00 0.00 27.48 28.39 1hbr h GLN 9 CO -0.31 -0.65 0.50 -0.07 0.00 0.00 0.00 178.83 178.30 1hbr h LEU 10 N -1.14 0.52 0.27 -2.39 4.07 0.40 0.89 115.31 117.94 1hbr h LEU 10 Ca -0.11 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1hbr h LEU 10 Cb 0.81 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1hbr h LEU 10 CO 0.17 0.29 -0.13 0.40 -1.08 0.00 0.00 178.44 178.10 1hbr h ILE 11 N 0.56 0.53 0.02 1.22 2.04 -0.78 -3.05 117.51 118.05 1hbr h ILE 11 Ca 0.36 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1hbr h ILE 11 Cb 0.64 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1hbr h ILE 11 CO -0.13 0.13 -0.06 0.74 0.00 0.00 0.00 178.15 178.83 1hbr h THR 12 N -0.95 0.86 -0.12 -0.27 2.02 -0.62 -1.21 112.91 112.62 1hbr h THR 12 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1hbr h THR 12 Cb 0.49 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1hbr h THR 12 CO 0.06 0.00 -0.36 1.23 0.37 0.00 0.00 175.52 176.82 1hbr h GLY 13 N -0.11 -0.55 1.02 2.16 0.00 -0.97 -2.23 103.07 102.40 1hbr h GLY 13 Ca 0.02 0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1hbr h GLY 13 CO -0.05 -0.23 0.43 -2.00 0.00 0.00 0.00 176.54 174.70 1hbr h LEU 14 N -0.44 1.00 -0.72 3.11 6.46 -1.46 -2.76 115.31 120.50 1hbr h LEU 14 Ca 0.09 -0.10 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 1hbr h LEU 14 Cb 0.58 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 1hbr h LEU 14 CO -0.37 0.81 0.32 -0.25 -0.62 0.00 0.00 178.44 178.34 1hbr h TRP 15 N 1.11 0.56 -0.08 1.25 2.91 -0.67 -1.44 115.95 119.58 1hbr h TRP 15 Ca 0.28 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.36 1hbr h TRP 15 Cb 0.04 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.55 1hbr h TRP 15 CO 0.00 0.14 0.27 0.78 -1.03 0.00 0.00 178.44 178.60 1hbr h GLY 16 N 0.51 0.00 -1.82 2.65 0.00 -1.10 0.08 103.07 103.39 1hbr h GLY 16 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1hbr h GLY 16 CO -0.33 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.49 1hbr n LYS 17 N -3.18 2.10 -2.66 4.80 5.02 -0.55 -4.99 118.16 118.71 1hbr n LYS 17 Ca -0.00 -1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 53.92 1hbr n LYS 17 Cb 0.35 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1hbr n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hbr s VAL 18 N -1.42 4.38 -0.99 -0.18 1.01 0.01 -4.98 120.40 118.22 1hbr s VAL 18 Ca 0.29 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 64.03 1hbr s VAL 18 Cb 0.18 -4.23 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1hbr s VAL 18 CO 0.26 0.27 1.16 0.21 0.00 0.00 0.00 175.10 177.01 1hbr s ASN 19 N 0.18 6.76 0.25 3.32 3.84 -1.26 -4.91 114.94 123.13 1hbr s ASN 19 Ca 0.49 -2.37 -0.13 0.00 0.21 0.00 0.00 52.86 51.06 1hbr s ASN 19 Cb -0.25 -2.38 0.35 0.00 -0.55 0.00 0.00 41.25 38.42 1hbr s ASN 19 CO 0.31 -0.92 1.56 0.58 -2.79 0.00 0.00 177.10 175.83 1hbr h VAL 20 N 5.40 0.01 -0.56 -5.21 2.07 -1.95 -0.18 116.25 115.84 1hbr h VAL 20 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 1hbr h VAL 20 Cb 0.99 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1hbr h VAL 20 CO 1.10 0.00 0.10 0.00 0.02 0.00 0.00 177.57 178.80 1hbr h ALA 21 N 1.68 0.74 0.03 1.67 0.00 -1.90 0.16 119.26 121.65 1hbr h ALA 21 Ca 0.41 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1hbr h ALA 21 Cb 0.66 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1hbr h ALA 21 CO -1.00 0.48 -0.76 1.49 0.00 0.00 0.00 179.25 179.46 1hbr h GLU 22 N 0.82 0.45 -0.43 0.00 4.57 -1.77 -2.62 114.58 115.60 1hbr h GLU 22 Ca 0.17 -0.53 -0.14 0.00 -1.18 0.00 0.00 59.36 57.68 1hbr h GLU 22 Cb 0.39 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1hbr h GLU 22 CO 0.01 1.18 -0.30 0.00 -1.18 0.00 0.00 179.01 178.73 1hbr h GLY 24 N 0.79 0.95 1.38 0.00 0.00 -1.04 0.13 103.07 105.29 1hbr h GLY 24 Ca 0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1hbr h GLY 24 CO 0.08 0.36 -0.15 0.00 0.00 0.00 0.00 176.54 176.84 1hbr h ALA 25 N 1.23 1.00 -0.28 3.60 0.00 -1.52 -2.09 119.26 121.19 1hbr h ALA 25 Ca 0.24 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1hbr h ALA 25 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1hbr h ALA 25 CO -0.05 0.60 -0.56 0.93 0.00 0.00 0.00 179.25 180.17 1hbr h GLU 26 N 0.65 0.88 0.82 0.00 4.39 -1.03 -0.86 114.58 119.43 1hbr h GLU 26 Ca 0.11 -0.57 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1hbr h GLU 26 Cb 0.62 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1hbr h GLU 26 CO 0.04 1.20 -0.39 0.00 -1.16 0.00 0.00 179.01 178.70 1hbr h ALA 27 N 0.68 -1.10 -0.80 3.43 0.00 -0.62 -0.11 119.26 120.74 1hbr h ALA 27 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1hbr h ALA 27 Cb 1.17 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1hbr h ALA 27 CO 0.12 -1.08 0.51 1.25 0.00 0.00 0.00 179.25 180.05 1hbr h LEU 28 N -1.18 0.84 -0.08 0.00 7.12 -1.45 -0.44 115.31 120.11 1hbr h LEU 28 Ca -0.11 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 1hbr h LEU 28 Cb 0.85 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1hbr h LEU 28 CO 0.18 0.57 0.05 0.00 -0.13 0.00 0.00 178.44 179.12 1hbr h ALA 29 N 1.34 0.11 -0.79 1.25 0.00 -1.09 -2.29 119.26 117.79 1hbr h ALA 29 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1hbr h ALA 29 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1hbr h ALA 29 CO -0.12 -0.38 0.49 0.00 0.00 0.00 0.00 179.25 179.24 1hbr h ARG 30 N 0.07 1.05 0.19 0.00 3.08 -0.45 -1.96 114.38 116.36 1hbr h ARG 30 Ca 0.03 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1hbr h ARG 30 Cb 0.04 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1hbr h ARG 30 CO -0.01 0.72 -0.26 1.25 -1.07 0.00 0.00 179.97 180.61 1hbr h LEU 31 N 1.08 -0.71 -1.81 3.04 5.85 -0.72 0.31 115.31 122.34 1hbr h LEU 31 Ca 0.28 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1hbr h LEU 31 Cb -0.07 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1hbr h LEU 31 CO -0.06 -0.36 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.50 1hbr h LEU 32 N -0.51 0.00 0.02 2.25 3.38 -0.99 -0.32 115.31 119.14 1hbr h LEU 32 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 1hbr h LEU 32 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1hbr h LEU 32 CO -0.10 0.11 -1.87 0.00 0.09 0.00 0.00 178.44 176.68 1hbr n ILE 33 N -4.32 1.60 0.04 1.22 3.06 -0.78 -3.53 119.36 116.65 1hbr n ILE 33 Ca -0.03 -0.78 -0.06 0.00 -2.50 0.00 0.00 62.75 59.38 1hbr n ILE 33 Cb 0.19 -1.05 -0.11 0.00 0.54 0.00 0.00 39.64 39.21 1hbr n ILE 33 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1hbr h VAL 34 N 0.01 1.32 -2.56 9.51 2.07 -0.29 -3.38 116.25 122.92 1hbr h VAL 34 Ca -0.35 -3.02 -0.60 0.00 0.82 0.00 0.00 66.70 63.55 1hbr h VAL 34 Cb 2.05 2.64 -0.40 0.00 -1.52 0.00 0.00 31.29 34.06 1hbr h VAL 34 CO 0.07 0.75 -0.78 -1.22 0.02 0.00 0.00 177.57 176.41 1hbr n TYR 35 N -3.22 1.48 -0.34 1.57 4.01 -0.14 -5.00 117.16 115.51 1hbr n TYR 35 Ca -0.05 -3.86 0.21 0.00 -0.16 0.00 0.00 57.90 54.04 1hbr n TYR 35 Cb 0.95 -0.29 0.45 0.00 -0.31 0.00 0.00 39.34 40.13 1hbr n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1hbr h PRO 36 N 5.08 0.44 -0.19 -0.72 0.11 -1.75 -1.30 132.00 133.68 1hbr h PRO 36 Ca 0.19 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1hbr h PRO 36 Cb 0.81 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1hbr h PRO 36 CO 0.59 0.29 0.34 0.11 -0.21 0.00 0.00 178.00 179.12 1hbr h TRP 37 N 0.45 0.00 0.00 0.65 0.09 -1.93 0.95 115.95 116.16 1hbr h TRP 37 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.64 1hbr h TRP 37 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.71 1hbr h TRP 37 CO -0.01 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.31 1hbr h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.56 -2.98 112.91 109.84 1hbr h THR 38 Ca 0.09 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1hbr h THR 38 Cb 0.76 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1hbr h THR 38 CO -0.00 0.00 -0.15 1.56 -0.25 0.00 0.00 175.52 176.68 1hbr h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.01 -2.53 115.11 120.49 1hbr h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hbr h GLN 39 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1hbr h GLN 39 CO 0.00 0.15 0.00 0.07 -0.67 0.00 0.00 178.83 178.38 1hbr h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.71 0.15 114.38 114.38 1hbr h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hbr h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1hbr h ARG 40 CO 0.02 0.00 -0.39 1.19 0.10 0.00 0.00 179.97 180.89 1hbr n PHE 41 N -3.07 0.17 -1.72 4.08 3.01 -0.95 -4.08 117.46 114.89 1hbr n PHE 41 Ca -0.03 0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 1hbr n PHE 41 Cb 0.08 -0.43 0.15 0.00 -0.01 0.00 0.00 39.48 39.26 1hbr n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hbr n PHE 42 N -1.68 0.84 -0.10 1.38 3.72 0.50 -4.79 117.46 117.33 1hbr n PHE 42 Ca 0.05 -1.72 0.02 0.00 -0.05 0.00 0.00 57.45 55.75 1hbr n PHE 42 Cb 0.36 -0.28 0.33 0.00 -0.94 0.00 0.00 39.48 38.95 1hbr n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hbr h ALA 43 N 1.36 1.56 0.00 4.37 0.00 -1.69 -1.46 119.26 123.40 1hbr h ALA 43 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hbr h ALA 43 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1hbr h ALA 43 CO 0.23 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 1hbr n SER 44 N -4.43 0.00 0.08 0.00 3.41 -1.26 -2.26 113.62 109.15 1hbr n SER 44 Ca 0.05 -0.45 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 1hbr n SER 44 Cb 0.06 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 1hbr n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1hbr h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.66 -3.50 116.94 118.11 1hbr h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1hbr h PHE 45 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1hbr h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1hbr n GLY 46 N 1.27 0.83 3.62 -1.45 0.00 -0.96 -4.78 105.19 103.72 1hbr n GLY 46 Ca 0.02 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1hbr n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbr s ASN 47 N -4.00 6.72 -0.22 1.61 3.04 -1.26 -4.84 114.94 115.99 1hbr s ASN 47 Ca 0.00 0.73 0.23 0.00 0.04 0.00 0.00 52.86 53.86 1hbr s ASN 47 Cb 0.00 -2.44 0.49 0.00 -1.54 0.00 0.00 41.25 37.76 1hbr s ASN 47 CO 0.00 -0.68 1.14 0.18 -3.04 0.00 0.00 177.10 174.70 1hbr n LEU 48 N 6.36 1.31 0.16 3.21 4.77 -1.26 -4.19 117.00 127.36 1hbr n LEU 48 Ca 0.05 -2.85 0.12 0.00 -0.03 0.00 0.00 56.01 53.31 1hbr n LEU 48 Cb 0.48 0.38 0.15 0.00 -2.33 0.00 0.00 43.42 42.10 1hbr n LEU 48 CO 0.52 0.97 0.58 0.77 -1.33 0.00 0.00 177.39 178.91 1hbr h SER 49 N 2.24 0.00 -5.12 -1.43 4.64 -1.92 -3.47 113.55 108.49 1hbr h SER 49 Ca -0.17 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 1hbr h SER 49 Cb 1.38 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.33 1hbr h SER 49 CO 0.15 0.01 -0.26 -0.94 -0.87 0.00 0.00 176.83 174.92 1hbr s SER 50 N -5.64 -0.02 0.50 4.97 1.04 -1.26 -5.00 113.70 108.29 1hbr s SER 50 Ca 0.05 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.13 1hbr s SER 50 Cb 0.08 0.39 1.20 0.00 0.10 0.00 0.00 66.02 67.79 1hbr s SER 50 CO 0.70 -0.77 2.09 1.55 0.98 0.00 0.00 173.24 177.78 1hbr h PRO 51 N 2.62 0.13 0.19 4.02 0.13 -1.98 0.13 132.00 137.22 1hbr h PRO 51 Ca -0.34 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1hbr h PRO 51 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hbr h PRO 51 CO 0.53 0.08 -0.09 1.15 -0.23 0.00 0.00 178.00 179.44 1hbr h THR 52 N 0.13 0.92 -0.96 1.56 2.02 -1.98 0.13 112.91 114.72 1hbr h THR 52 Ca 0.10 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1hbr h THR 52 Cb 0.23 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1hbr h THR 52 CO -0.01 0.13 0.59 0.00 0.37 0.00 0.00 175.52 176.60 1hbr h ALA 53 N 0.20 1.23 -0.26 6.16 0.00 -1.64 -1.04 119.26 123.91 1hbr h ALA 53 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1hbr h ALA 53 Cb 0.41 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1hbr h ALA 53 CO 0.04 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.75 1hbr h ILE 54 N 1.32 1.27 -0.60 0.00 2.04 -0.67 0.78 117.51 121.65 1hbr h ILE 54 Ca 0.34 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1hbr h ILE 54 Cb -0.07 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1hbr h ILE 54 CO -0.07 0.31 0.20 -0.07 0.00 0.00 0.00 178.15 178.53 1hbr h LEU 55 N 0.25 0.82 0.00 1.44 -0.00 -0.38 -2.68 115.31 114.76 1hbr h LEU 55 Ca 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1hbr h LEU 55 Cb 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1hbr h LEU 55 CO 0.02 0.77 -0.47 1.23 -0.00 0.00 0.00 178.44 179.98 1hbr h GLY 56 N 0.99 0.00 -5.79 0.83 0.00 -1.12 -3.46 103.07 94.52 1hbr h GLY 56 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.96 1hbr h GLY 56 CO -0.01 0.00 1.25 -2.01 0.00 0.00 0.00 176.54 175.77 1hbr n ASN 57 N -2.37 3.77 -0.35 0.19 2.85 0.26 -4.88 115.26 114.73 1hbr n ASN 57 Ca 0.03 0.78 0.06 0.00 -0.11 0.00 0.00 54.58 55.35 1hbr n ASN 57 Cb 0.47 -1.48 0.23 0.00 1.24 0.00 0.00 39.78 40.23 1hbr n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1hbr h PRO 58 N 11.09 0.91 -0.02 1.20 0.11 -1.89 -2.22 132.00 141.18 1hbr h PRO 58 Ca -0.47 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 1hbr h PRO 58 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1hbr h PRO 58 CO 0.95 0.60 -0.73 0.52 -0.21 0.00 0.00 178.00 179.13 1hbr h MET 59 N 0.94 0.15 0.40 1.05 2.86 -1.90 -0.81 114.93 117.62 1hbr h MET 59 Ca 0.48 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1hbr h MET 59 Cb 0.48 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1hbr h MET 59 CO -0.27 0.81 -0.19 0.28 1.06 0.00 0.00 176.91 178.60 1hbr h VAL 60 N 0.10 0.60 -0.56 -2.22 2.07 -1.76 0.26 116.25 114.73 1hbr h VAL 60 Ca -0.02 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1hbr h VAL 60 Cb 1.29 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1hbr h VAL 60 CO 0.11 0.06 0.23 0.03 0.02 0.00 0.00 177.57 178.01 1hbr h ARG 61 N -0.72 0.41 0.00 1.57 3.08 -1.41 0.22 114.38 117.53 1hbr h ARG 61 Ca -0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1hbr h ARG 61 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1hbr h ARG 61 CO 0.09 0.27 -0.41 0.00 -1.07 0.00 0.00 179.97 178.85 1hbr h ALA 62 N 1.37 1.01 0.03 0.04 0.00 -1.05 -2.82 119.26 117.84 1hbr h ALA 62 Ca 0.27 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1hbr h ALA 62 Cb 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1hbr h ALA 62 CO -0.26 0.51 -0.46 1.25 0.00 0.00 0.00 179.25 180.30 1hbr h HIS 63 N 0.00 0.40 -0.94 0.00 -0.00 0.85 -3.15 115.15 112.32 1hbr h HIS 63 Ca -0.00 -0.24 0.17 0.00 -0.00 0.00 0.00 60.37 60.29 1hbr h HIS 63 Cb 0.91 -0.04 -0.10 0.00 -0.00 0.00 0.00 27.41 28.18 1hbr h HIS 63 CO 0.00 1.09 0.53 0.78 -0.00 0.00 0.00 177.93 180.34 1hbr h GLY 64 N -0.40 1.61 1.12 5.26 0.00 -0.57 0.19 103.07 110.29 1hbr h GLY 64 Ca -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1hbr h GLY 64 CO 0.09 -0.05 0.42 1.70 0.00 0.00 0.00 176.54 178.70 1hbr h LYS 65 N 0.71 1.14 -0.61 4.80 3.64 -1.54 -0.84 116.57 123.87 1hbr h LYS 65 Ca 0.53 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1hbr h LYS 65 Cb 0.79 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1hbr h LYS 65 CO -0.38 0.86 0.05 0.87 -2.27 0.00 0.00 179.45 178.58 1hbr h LYS 66 N 1.14 1.02 0.06 1.90 1.57 -0.63 -1.31 116.57 120.32 1hbr h LYS 66 Ca 0.28 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1hbr h LYS 66 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1hbr h LYS 66 CO -0.04 0.97 -0.03 0.28 -0.57 0.00 0.00 179.45 180.06 1hbr h VAL 67 N 0.95 1.04 -0.07 0.50 2.07 -0.33 -2.54 116.25 117.88 1hbr h VAL 67 Ca 0.18 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1hbr h VAL 67 Cb 0.48 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1hbr h VAL 67 CO 0.02 0.08 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 1hbr h LEU 68 N -0.21 0.11 -1.00 2.57 3.38 -1.14 -2.37 115.31 116.65 1hbr h LEU 68 Ca -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1hbr h LEU 68 Cb 0.19 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1hbr h LEU 68 CO 0.01 0.39 0.43 0.74 0.09 0.00 0.00 178.44 180.10 1hbr h THR 69 N 0.11 1.24 -0.46 0.22 2.02 -1.02 -1.85 112.91 113.17 1hbr h THR 69 Ca 0.02 -0.62 -0.13 0.00 0.77 0.00 0.00 66.41 66.44 1hbr h THR 69 Cb 0.54 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1hbr h THR 69 CO 0.04 0.28 -0.24 -1.28 0.37 0.00 0.00 175.52 174.69 1hbr h SER 70 N 1.14 0.99 -0.90 4.18 0.87 -1.01 -1.81 113.55 117.00 1hbr h SER 70 Ca 0.28 -0.38 0.16 0.00 -1.23 0.00 0.00 61.79 60.62 1hbr h SER 70 Cb 0.05 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 61.66 1hbr h SER 70 CO -0.04 1.17 0.58 -0.26 -0.53 0.00 0.00 176.83 177.75 1hbr h PHE 71 N 0.82 0.80 -0.11 2.24 0.04 -1.12 0.94 116.94 120.55 1hbr h PHE 71 Ca 0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1hbr h PHE 71 Cb 0.81 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1hbr h PHE 71 CO 0.05 0.27 -0.00 0.78 -0.60 0.00 0.00 178.31 178.81 1hbr h GLY 72 N 0.66 0.16 1.86 -1.45 0.00 -0.55 0.90 103.07 104.64 1hbr h GLY 72 Ca 0.46 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 1hbr h GLY 72 CO -0.22 0.07 -0.40 -0.55 0.00 0.00 0.00 176.54 175.44 1hbr h ASP 73 N 0.15 0.17 -0.03 0.19 3.32 0.12 -2.66 116.42 117.68 1hbr h ASP 73 Ca 0.04 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 1hbr h ASP 73 Cb 0.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1hbr h ASP 73 CO 0.00 0.55 -0.73 0.00 -1.72 0.00 0.00 179.24 177.34 1hbr h ALA 74 N 1.46 0.43 -0.02 3.45 0.00 -0.29 -2.97 119.26 121.32 1hbr h ALA 74 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1hbr h ALA 74 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1hbr h ALA 74 CO 0.06 0.71 -0.02 0.28 0.00 0.00 0.00 179.25 180.28 1hbr h VAL 75 N 0.47 1.02 -0.30 0.00 2.07 -0.75 0.26 116.25 119.02 1hbr h VAL 75 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1hbr h VAL 75 Cb 1.34 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1hbr h VAL 75 CO 0.14 0.03 0.00 2.29 0.02 0.00 0.00 177.57 180.06 1hbr n LYS 76 N -4.50 3.13 -0.17 1.57 2.85 -1.08 -4.37 118.16 115.58 1hbr n LYS 76 Ca -0.03 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 1hbr n LYS 76 Cb 0.11 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 1hbr n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1hbr n ASN 77 N -0.32 0.00 -0.11 -5.58 4.13 -0.74 -4.98 115.26 107.66 1hbr n ASN 77 Ca 0.21 -1.28 0.06 0.00 1.68 0.00 0.00 54.58 55.26 1hbr n ASN 77 Cb 0.90 -0.06 0.12 0.00 -1.54 0.00 0.00 39.78 39.20 1hbr n ASN 77 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hbr n LEU 78 N 0.00 0.01 0.04 3.41 4.77 0.01 0.19 117.00 125.43 1hbr n LEU 78 Ca 0.00 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1hbr n LEU 78 Cb 0.56 -0.21 0.47 0.00 -2.33 0.00 0.00 43.42 41.90 1hbr n LEU 78 CO 0.00 -0.55 0.83 0.47 -1.33 0.00 0.00 177.39 176.81 1hbr n ASP 79 N -4.07 0.41 -2.48 -1.43 8.00 -1.26 -3.85 116.55 111.87 1hbr n ASP 79 Ca 0.09 0.43 -0.15 0.00 0.71 0.00 0.00 54.79 55.86 1hbr n ASP 79 Cb 0.29 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.94 1hbr n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hbr n ASN 80 N -1.84 3.27 -0.02 -2.24 5.15 0.50 -4.90 115.26 115.19 1hbr n ASN 80 Ca 0.06 -3.08 -0.13 0.00 -0.60 0.00 0.00 54.58 50.83 1hbr n ASN 80 Cb 0.38 -0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 39.10 1hbr n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hbr h ILE 81 N 3.33 1.34 -0.41 -1.44 2.04 -1.62 -2.96 117.51 117.78 1hbr h ILE 81 Ca 0.12 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.03 1hbr h ILE 81 Cb 1.24 1.95 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 1hbr h ILE 81 CO 0.58 0.28 -0.29 0.11 0.00 0.00 0.00 178.15 178.83 1hbr h LYS 82 N -0.32 -0.21 -0.97 2.37 1.79 -1.91 -0.28 116.57 117.03 1hbr h LYS 82 Ca 0.01 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1hbr h LYS 82 Cb 0.46 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 1hbr h LYS 82 CO 0.01 -0.14 0.64 -0.91 -1.08 0.00 0.00 179.45 177.96 1hbr h ASN 83 N -0.22 1.05 -0.27 0.86 2.35 -1.96 -2.34 115.58 115.05 1hbr h ASN 83 Ca 0.18 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1hbr h ASN 83 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1hbr h ASN 83 CO -0.53 0.72 0.02 0.74 -1.65 0.00 0.00 177.43 176.73 1hbr h THR 84 N 1.22 1.20 -0.49 2.81 2.02 -0.93 -3.19 112.91 115.55 1hbr h THR 84 Ca 0.39 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1hbr h THR 84 Cb 0.03 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1hbr h THR 84 CO -0.12 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1hbr n PHE 85 N -4.28 1.07 0.33 3.16 3.01 -0.40 -4.68 117.46 115.67 1hbr n PHE 85 Ca 0.02 -0.63 -0.18 0.00 1.01 0.00 0.00 57.45 57.67 1hbr n PHE 85 Cb 0.24 -0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.43 1hbr n PHE 85 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hbr h SER 86 N 3.05 -1.10 -0.50 4.37 4.64 -1.42 -0.88 113.55 121.72 1hbr h SER 86 Ca 0.00 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.48 1hbr h SER 86 Cb 1.23 0.34 -0.07 0.00 -0.31 0.00 0.00 62.40 63.60 1hbr h SER 86 CO 0.16 -0.62 0.11 1.56 -0.87 0.00 0.00 176.83 177.16 1hbr h GLN 87 N -0.97 0.24 0.00 4.77 7.50 -1.84 0.18 115.11 124.99 1hbr h GLN 87 Ca -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 1hbr h GLN 87 Cb 0.81 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.29 1hbr h GLN 87 CO 0.03 0.16 -0.03 -0.07 -1.50 0.00 0.00 178.83 177.42 1hbr h LEU 88 N 0.25 0.00 0.27 1.46 3.38 -1.84 -1.55 115.31 117.28 1hbr h LEU 88 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1hbr h LEU 88 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1hbr h LEU 88 CO -0.32 0.03 -0.13 -1.28 0.09 0.00 0.00 178.44 176.84 1hbr h SER 89 N 0.00 -0.30 -0.47 -0.43 0.87 0.80 -1.17 113.55 112.84 1hbr h SER 89 Ca -0.00 -0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.50 1hbr h SER 89 Cb 0.06 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.02 1hbr h SER 89 CO 0.00 -0.01 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.95 1hbr h GLU 90 N -0.61 0.09 0.32 2.24 5.08 -0.47 0.12 114.58 121.36 1hbr h GLU 90 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hbr h GLU 90 Cb 0.44 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1hbr h GLU 90 CO 0.06 0.06 -0.29 1.25 -1.00 0.00 0.00 179.01 179.09 1hbr h LEU 91 N 0.10 -0.78 -0.94 1.33 5.85 -1.23 0.53 115.31 120.16 1hbr h LEU 91 Ca 0.23 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1hbr h LEU 91 Cb 0.35 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1hbr h LEU 91 CO -0.40 -0.43 -0.32 0.45 -0.34 0.00 0.00 178.44 177.40 1hbr h HIS 92 N -0.63 0.43 0.00 1.25 3.86 -0.75 0.23 115.15 119.54 1hbr h HIS 92 Ca -0.02 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1hbr h HIS 92 Cb 0.57 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1hbr h HIS 92 CO -0.17 0.66 -0.46 0.00 0.86 0.00 0.00 177.93 178.82 1hbr h ASP 94 N -0.95 -0.23 -0.50 0.00 5.19 -0.11 -2.69 116.42 117.13 1hbr h ASP 94 Ca 0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1hbr h ASP 94 Cb 0.46 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1hbr h ASP 94 CO 0.00 -0.02 0.19 0.11 -3.12 0.00 0.00 179.24 176.40 1hbr h LYS 95 N -0.57 0.75 0.00 3.56 6.56 -1.29 -3.36 116.57 122.22 1hbr h LYS 95 Ca -0.03 -0.14 -0.09 0.00 -1.06 0.00 0.00 60.65 59.33 1hbr h LYS 95 Cb 0.21 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1hbr h LYS 95 CO 0.05 0.67 -2.02 1.28 -2.06 0.00 0.00 179.45 177.37 1hbr n LEU 96 N -4.55 0.00 -3.35 2.94 4.77 0.80 -5.02 117.00 112.59 1hbr n LEU 96 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.77 1hbr n LEU 96 Cb 0.16 0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1hbr n LEU 96 CO 0.38 0.12 0.21 1.41 -1.33 0.00 0.00 177.39 178.18 1hbr n HIS 97 N -2.33 -2.64 -2.57 -1.77 8.25 -0.43 -4.95 115.22 108.79 1hbr n HIS 97 Ca -0.11 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 57.84 1hbr n HIS 97 Cb 0.68 -4.75 -0.02 0.00 1.12 0.00 0.00 29.99 27.02 1hbr n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hbr s VAL 98 N -3.29 4.43 0.29 1.59 1.01 0.76 -4.98 120.40 120.22 1hbr s VAL 98 Ca 0.53 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 1hbr s VAL 98 Cb -0.23 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 1hbr s VAL 98 CO 0.65 -0.39 1.62 -0.62 0.00 0.00 0.00 175.10 176.36 1hbr s ASP 99 N 1.86 6.34 0.52 3.32 -1.08 -1.26 -4.75 116.67 121.63 1hbr s ASP 99 Ca 0.49 2.98 0.24 0.00 -0.52 0.00 0.00 52.55 55.73 1hbr s ASP 99 Cb -0.15 -2.63 1.35 0.00 -1.46 0.00 0.00 42.92 40.03 1hbr s ASP 99 CO 0.15 -0.94 2.00 -0.65 0.52 0.00 0.00 175.17 176.26 1hbr h PRO 100 N 4.93 0.04 -0.36 4.34 0.11 -1.97 -0.74 132.00 138.34 1hbr h PRO 100 Ca -0.47 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1hbr h PRO 100 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1hbr h PRO 100 CO 0.80 0.03 0.27 1.49 -0.21 0.00 0.00 178.00 180.38 1hbr h GLU 101 N 0.04 0.00 -0.14 1.05 4.57 -2.00 0.29 114.58 118.39 1hbr h GLU 101 Ca 0.24 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.27 1hbr h GLU 101 Cb 0.92 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1hbr h GLU 101 CO -0.01 0.00 -0.57 -0.91 -1.18 0.00 0.00 179.01 176.34 1hbr h ASN 102 N 0.00 0.48 -0.33 1.04 4.21 -1.49 -2.21 115.58 117.28 1hbr h ASN 102 Ca 0.17 -0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.43 1hbr h ASN 102 Cb 0.72 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 1hbr h ASN 102 CO -0.00 0.94 0.21 -0.26 -1.29 0.00 0.00 177.43 177.03 1hbr h PHE 103 N 0.32 0.40 -0.63 1.19 0.04 -1.04 -1.30 116.94 115.92 1hbr h PHE 103 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1hbr h PHE 103 Cb 1.09 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1hbr h PHE 103 CO 0.04 0.25 0.27 -0.09 -0.60 0.00 0.00 178.31 178.18 1hbr h ARG 104 N 0.43 0.91 -0.62 1.51 2.43 -1.33 -1.82 114.38 115.90 1hbr h ARG 104 Ca 0.12 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1hbr h ARG 104 Cb -0.04 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1hbr h ARG 104 CO -0.03 0.73 0.20 -0.07 -1.51 0.00 0.00 179.97 179.28 1hbr h LEU 105 N 0.90 0.86 -0.45 3.80 3.38 -0.75 -1.36 115.31 121.70 1hbr h LEU 105 Ca 0.22 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1hbr h LEU 105 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1hbr h LEU 105 CO -0.02 0.81 -0.25 0.25 0.09 0.00 0.00 178.44 179.32 1hbr h LEU 106 N 0.90 0.99 -0.53 1.67 5.85 -0.53 -2.53 115.31 121.15 1hbr h LEU 106 Ca 0.20 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1hbr h LEU 106 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1hbr h LEU 106 CO -0.01 1.19 0.35 1.23 -0.34 0.00 0.00 178.44 180.85 1hbr h GLY 107 N 0.80 0.74 0.91 3.75 0.00 -0.87 0.83 103.07 109.24 1hbr h GLY 107 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1hbr h GLY 107 CO 0.07 0.26 0.51 -0.55 0.00 0.00 0.00 176.54 176.83 1hbr h ASP 108 N 0.70 0.85 -0.46 0.19 5.19 -1.19 -1.24 116.42 120.46 1hbr h ASP 108 Ca 0.19 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 1hbr h ASP 108 Cb -0.07 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1hbr h ASP 108 CO -0.05 0.60 0.08 0.40 -3.12 0.00 0.00 179.24 177.15 1hbr h ILE 109 N 1.01 1.24 -0.84 0.35 2.04 -0.94 -2.23 117.51 118.14 1hbr h ILE 109 Ca 0.31 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.35 1hbr h ILE 109 Cb -0.03 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1hbr h ILE 109 CO -0.10 0.31 0.51 0.25 0.00 0.00 0.00 178.15 179.12 1hbr h LEU 110 N 0.62 0.77 -0.65 1.44 5.85 -0.29 0.32 115.31 123.38 1hbr h LEU 110 Ca 0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1hbr h LEU 110 Cb 0.37 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1hbr h LEU 110 CO 0.01 0.48 0.43 0.40 -0.34 0.00 0.00 178.44 179.42 1hbr h ILE 111 N 0.90 1.17 -0.04 4.05 1.08 -0.91 -0.37 117.51 123.40 1hbr h ILE 111 Ca 0.38 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1hbr h ILE 111 Cb 0.23 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1hbr h ILE 111 CO -0.20 0.16 -0.34 0.40 -0.69 0.00 0.00 178.15 177.49 1hbr h ILE 112 N 0.88 1.26 -0.01 -0.67 2.04 -0.64 -1.89 117.51 118.47 1hbr h ILE 112 Ca 0.24 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1hbr h ILE 112 Cb -0.10 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1hbr h ILE 112 CO -0.05 0.35 -0.01 0.58 0.00 0.00 0.00 178.15 179.02 1hbr h VAL 113 N 0.06 1.36 -0.75 1.67 2.07 0.07 -2.39 116.25 118.34 1hbr h VAL 113 Ca 0.01 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1hbr h VAL 113 Cb 0.63 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 1hbr h VAL 113 CO 0.05 0.28 0.49 -0.07 0.02 0.00 0.00 177.57 178.34 1hbr h LEU 114 N -0.42 0.70 -0.63 2.57 3.38 -0.96 -1.94 115.31 118.00 1hbr h LEU 114 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1hbr h LEU 114 Cb 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1hbr h LEU 114 CO 0.00 0.45 -0.35 0.00 0.09 0.00 0.00 178.44 178.64 1hbr h ALA 115 N 1.59 0.81 0.00 1.53 0.00 -1.27 -1.45 119.26 120.46 1hbr h ALA 115 Ca 0.32 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hbr h ALA 115 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1hbr h ALA 115 CO -0.11 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 1hbr h ALA 116 N 1.03 0.99 0.00 0.00 0.00 -0.86 -0.67 119.26 119.75 1hbr h ALA 116 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hbr h ALA 116 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hbr h ALA 116 CO 0.08 0.02 -0.97 0.72 0.00 0.00 0.00 179.25 179.10 1hbr n HIS 117 N -3.11 0.02 -0.19 0.00 -0.00 -0.79 -4.45 115.22 106.71 1hbr n HIS 117 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1hbr n HIS 117 Cb 0.42 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1hbr n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1hbr n PHE 118 N -1.59 0.00 -0.10 4.41 3.72 -0.57 -5.07 117.46 118.25 1hbr n PHE 118 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1hbr n PHE 118 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1hbr n PHE 118 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1hbr n SER 119 N -0.32 0.00 -0.22 4.37 7.64 -0.26 -1.12 113.62 123.71 1hbr n SER 119 Ca 0.00 0.00 0.31 0.00 1.01 0.00 0.00 58.87 60.19 1hbr n SER 119 Cb 0.05 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 63.96 1hbr n SER 119 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1hbr h LYS 120 N 0.00 0.00 0.00 1.43 1.79 -1.99 0.48 116.57 118.28 1hbr h LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hbr h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1hbr h LYS 120 CO 0.00 0.00 -0.01 -0.44 -1.08 0.00 0.00 179.45 177.92 1hbr h ASP 121 N 0.00 0.00 -1.74 0.86 5.19 -1.52 -3.29 116.42 115.91 1hbr h ASP 121 Ca 0.48 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 56.16 1hbr h ASP 121 Cb 2.08 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 41.45 1hbr h ASP 121 CO -0.01 0.01 1.66 0.33 -3.12 0.00 0.00 179.24 178.11 1hbr n PHE 122 N -3.12 4.71 -1.42 4.55 7.35 0.17 -4.94 117.46 124.76 1hbr n PHE 122 Ca -0.01 -3.19 -0.31 0.00 -0.76 0.00 0.00 57.45 53.19 1hbr n PHE 122 Cb 0.23 -2.29 0.08 0.00 0.35 0.00 0.00 39.48 37.86 1hbr n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hbr s THR 123 N 2.15 3.46 0.42 -2.13 -4.23 -1.24 -4.73 115.64 109.34 1hbr s THR 123 Ca 0.45 0.47 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 1hbr s THR 123 Cb 0.00 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 71.08 1hbr s THR 123 CO 0.02 -0.62 1.95 -0.65 -0.54 0.00 0.00 174.62 174.78 1hbr h PRO 124 N -1.02 0.44 -0.32 3.99 0.11 -1.94 0.43 132.00 133.68 1hbr h PRO 124 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1hbr h PRO 124 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1hbr h PRO 124 CO 0.55 0.29 -0.38 0.93 -0.21 0.00 0.00 178.00 179.18 1hbr h GLU 125 N 0.45 0.77 -0.21 1.05 3.07 -1.99 -0.91 114.58 116.81 1hbr h GLU 125 Ca 0.32 -0.39 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 1hbr h GLU 125 Cb 0.62 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1hbr h GLU 125 CO -0.10 1.01 -0.08 0.00 -1.40 0.00 0.00 179.01 178.45 1hbr h GLN 127 N 0.15 0.18 -0.94 0.00 4.15 -0.20 -1.09 115.11 117.35 1hbr h GLN 127 Ca 0.05 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.51 1hbr h GLN 127 Cb 0.55 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 1hbr h GLN 127 CO 0.03 0.12 0.62 0.00 -1.93 0.00 0.00 178.83 177.66 1hbr h ALA 128 N 1.16 1.44 -0.35 3.38 0.00 -1.09 0.18 119.26 123.97 1hbr h ALA 128 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1hbr h ALA 128 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hbr h ALA 128 CO -0.12 0.45 -0.41 0.00 0.00 0.00 0.00 179.25 179.16 1hbr h ALA 129 N 1.47 0.60 -0.22 0.00 0.00 -0.72 -2.49 119.26 117.91 1hbr h ALA 129 Ca 0.39 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1hbr h ALA 129 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hbr h ALA 129 CO -0.14 0.68 -0.47 -1.49 0.00 0.00 0.00 179.25 177.83 1hbr h TRP 130 N 0.71 0.89 -0.04 0.00 4.06 -0.60 -2.34 115.95 118.63 1hbr h TRP 130 Ca 0.05 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1hbr h TRP 130 Cb 1.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1hbr h TRP 130 CO 0.06 1.11 0.02 0.37 -3.56 0.00 0.00 178.44 176.45 1hbr h GLN 131 N 0.41 0.04 -0.08 0.49 5.75 -0.68 0.80 115.11 121.84 1hbr h GLN 131 Ca 0.00 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1hbr h GLN 131 Cb 1.08 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1hbr h GLN 131 CO 0.10 0.03 -0.20 -0.22 -2.65 0.00 0.00 178.83 175.89 1hbr h LYS 132 N 0.04 0.28 -0.44 1.69 3.64 -1.28 -2.18 116.57 118.32 1hbr h LYS 132 Ca 0.01 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1hbr h LYS 132 Cb 0.00 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1hbr h LYS 132 CO -0.00 0.80 0.17 1.25 -2.27 0.00 0.00 179.45 179.39 1hbr h LEU 133 N -0.20 0.19 -0.47 5.20 5.85 -0.60 -0.58 115.31 124.68 1hbr h LEU 133 Ca -0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1hbr h LEU 133 Cb 0.81 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1hbr h LEU 133 CO 0.04 0.14 0.25 0.58 -0.34 0.00 0.00 178.44 179.12 1hbr h VAL 134 N 0.34 0.98 -0.73 1.05 2.07 -0.92 -0.41 116.25 118.64 1hbr h VAL 134 Ca 0.20 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1hbr h VAL 134 Cb 0.18 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1hbr h VAL 134 CO -0.20 0.09 0.47 -0.09 0.02 0.00 0.00 177.57 177.86 1hbr h ARG 135 N 0.49 0.97 -0.58 1.57 2.43 -0.84 -1.00 114.38 117.44 1hbr h ARG 135 Ca 0.20 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1hbr h ARG 135 Cb 0.09 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1hbr h ARG 135 CO -0.13 0.66 -0.03 0.28 -1.51 0.00 0.00 179.97 179.25 1hbr h VAL 136 N 0.99 1.27 -0.25 0.20 2.07 -0.53 -1.92 116.25 118.09 1hbr h VAL 136 Ca 0.27 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1hbr h VAL 136 Cb -0.08 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1hbr h VAL 136 CO -0.05 0.42 -0.29 0.58 0.02 0.00 0.00 177.57 178.25 1hbr h VAL 137 N 0.93 1.27 -0.51 2.57 2.07 -0.77 -1.15 116.25 120.66 1hbr h VAL 137 Ca 0.16 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 1hbr h VAL 137 Cb 0.59 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1hbr h VAL 137 CO 0.04 0.42 -0.11 0.00 0.02 0.00 0.00 177.57 177.94 1hbr h ALA 138 N 1.26 0.85 -0.01 1.67 0.00 -1.01 -1.66 119.26 120.37 1hbr h ALA 138 Ca 0.06 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1hbr h ALA 138 Cb 0.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hbr h ALA 138 CO 0.06 0.65 -0.66 1.25 0.00 0.00 0.00 179.25 180.55 1hbr h HIS 139 N 0.85 0.06 -0.02 0.00 6.17 -1.08 -2.29 115.15 118.83 1hbr h HIS 139 Ca 0.14 -0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.07 1hbr h HIS 139 Cb 0.65 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 1hbr h HIS 139 CO 0.04 0.69 -0.53 0.00 0.71 0.00 0.00 177.93 178.84 1hbr h ALA 140 N 1.31 1.07 0.00 5.26 0.00 -0.79 -2.97 119.26 123.14 1hbr h ALA 140 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1hbr h ALA 140 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hbr h ALA 140 CO 0.09 0.67 -0.30 -0.07 0.00 0.00 0.00 179.25 179.64 1hbr h LEU 141 N 0.05 0.00 -4.21 0.00 3.38 -1.11 -3.31 115.31 110.12 1hbr h LEU 141 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1hbr h LEU 141 Cb 0.96 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.43 1hbr h LEU 141 CO 0.07 0.13 0.90 0.00 0.09 0.00 0.00 178.44 179.64 1hbr n ALA 142 N -2.15 6.35 0.07 1.53 0.00 -0.88 -4.44 120.51 120.99 1hbr n ALA 142 Ca 0.03 -3.56 0.04 0.00 0.00 0.00 0.00 53.44 49.95 1hbr n ALA 142 Cb 0.59 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1hbr n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1hbr h ARG 143 N 2.21 0.00 -0.28 0.00 -0.00 -1.68 -3.38 114.38 111.25 1hbr h ARG 143 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.57 1hbr h ARG 143 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1hbr h ARG 143 CO 1.53 0.21 0.00 0.36 -0.00 0.00 0.00 179.97 182.07 1hbr n LYS 144 N -2.86 1.46 -0.02 0.08 -0.00 -1.26 -2.69 118.16 112.86 1hbr n LYS 144 Ca -0.05 -0.61 0.04 0.00 -0.00 0.00 0.00 58.31 57.69 1hbr n LYS 144 Cb 0.73 -1.21 -0.11 0.00 -0.00 0.00 0.00 35.03 34.43 1hbr n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1hbr n TYR 145 N 0.01 0.00 0.00 5.58 0.53 -1.26 -4.75 117.16 117.27 1hbr n TYR 145 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 1hbr n TYR 145 Cb 0.19 -0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.09 1hbr n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45