#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrw s HIS 2 N 0.00 1.74 0.10 1.45 0.00 -1.26 -4.96 115.29 112.37 3hrw s HIS 2 Ca 0.00 0.67 -0.14 0.00 -3.00 0.00 0.00 55.06 52.59 3hrw s HIS 2 Cb 0.00 -3.52 0.02 0.00 -4.00 0.00 0.00 32.58 25.08 3hrw s HIS 2 CO 0.00 -2.90 0.33 -1.17 -1.00 0.00 0.00 174.74 170.00 3hrw s LEU 3 N -6.31 0.72 0.30 5.38 2.96 -1.26 -5.10 118.68 115.37 3hrw s LEU 3 Ca 0.68 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 3hrw s LEU 3 Cb -0.12 1.57 -0.11 0.00 0.50 0.00 0.00 46.19 48.03 3hrw s LEU 3 CO 0.54 -0.79 1.56 0.42 -1.32 0.00 0.00 176.35 176.77 3hrw s THR 4 N -3.63 2.16 0.51 3.68 -4.23 -1.26 -4.67 115.64 108.19 3hrw s THR 4 Ca 0.02 0.14 0.42 0.00 -1.18 0.00 0.00 61.69 61.08 3hrw s THR 4 Cb 0.02 -3.09 0.63 0.00 1.34 0.00 0.00 72.50 71.40 3hrw s THR 4 CO -0.10 0.02 1.59 0.44 -0.54 0.00 0.00 174.62 176.03 3hrw h ASP 5 N 4.67 0.10 -0.88 3.99 3.32 -2.00 -0.79 116.42 124.83 3hrw h ASP 5 Ca -0.47 0.07 0.25 0.00 0.02 0.00 0.00 57.03 56.90 3hrw h ASP 5 Cb 1.22 0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.68 3hrw h ASP 5 CO 0.77 -0.11 0.05 0.00 -1.72 0.00 0.00 179.24 178.24 3hrw n ALA 6 N -2.74 0.48 -0.02 3.45 0.00 -1.26 -0.61 120.51 119.82 3hrw n ALA 6 Ca 0.42 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.79 3hrw n ALA 6 Cb 1.77 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 20.47 3hrw n ALA 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hrw n GLU 7 N -5.25 1.58 0.26 0.00 -0.58 -0.35 -4.34 120.64 111.96 3hrw n GLU 7 Ca 0.22 -0.03 0.17 0.00 -0.42 0.00 0.00 57.16 57.09 3hrw n GLU 7 Cb 0.71 -1.17 0.75 0.00 -0.57 0.00 0.00 31.44 31.16 3hrw n GLU 7 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hrw h LYS 8 N 0.00 0.00 0.00 3.49 3.64 -0.86 -2.60 116.57 120.23 3hrw h LYS 8 Ca -0.09 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.04 3hrw h LYS 8 Cb 0.87 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 3hrw h LYS 8 CO 0.00 0.00 -2.21 0.00 -2.27 0.00 0.00 179.45 174.98 3hrw n ALA 9 N -2.01 1.90 -0.31 5.00 0.00 0.22 -4.03 120.51 121.29 3hrw n ALA 9 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 53.44 52.44 3hrw n ALA 9 Cb 0.23 -0.40 0.20 0.00 0.00 0.00 0.00 19.45 19.48 3hrw n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrw h ALA 10 N 1.31 1.29 0.98 0.00 0.00 -1.60 0.52 119.26 121.76 3hrw h ALA 10 Ca -0.36 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3hrw h ALA 10 Cb 1.85 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.52 3hrw h ALA 10 CO 0.02 0.10 -0.47 0.28 0.00 0.00 0.00 179.25 179.18 3hrw h VAL 11 N 0.81 0.00 -0.99 0.00 2.07 -1.73 2.15 116.25 118.57 3hrw h VAL 11 Ca 0.44 -0.02 0.18 0.00 0.82 0.00 0.00 66.70 68.12 3hrw h VAL 11 Cb 0.46 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 3hrw h VAL 11 CO -0.28 0.00 0.61 -1.28 0.02 0.00 0.00 177.57 176.65 3hrw h SER 12 N -1.33 0.74 -0.14 0.57 0.87 -1.57 0.39 113.55 113.08 3hrw h SER 12 Ca -0.13 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 3hrw h SER 12 Cb 1.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hrw h SER 12 CO 0.22 0.29 -0.21 0.00 -0.53 0.00 0.00 176.83 176.60 3hrw h LEU 14 N -0.00 0.04 -0.93 0.00 5.85 0.57 -2.85 115.31 117.98 3hrw h LEU 14 Ca 0.01 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3hrw h LEU 14 Cb 0.78 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3hrw h LEU 14 CO 0.05 0.74 -0.47 -0.25 -0.34 0.00 0.00 178.44 178.17 3hrw h TRP 15 N 0.02 0.00 -0.81 1.25 2.91 -0.49 -3.03 115.95 115.80 3hrw h TRP 15 Ca -0.01 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.03 3hrw h TRP 15 Cb 1.26 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.86 3hrw h TRP 15 CO 0.00 0.47 0.53 0.78 -1.03 0.00 0.00 178.44 179.19 3hrw h GLY 16 N 1.82 1.15 0.68 2.65 0.00 -1.53 -2.85 103.07 105.00 3hrw h GLY 16 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hrw h GLY 16 CO 0.06 0.38 -0.33 0.50 0.00 0.00 0.00 176.54 177.15 3hrw h LYS 17 N 1.06 -0.68 -6.93 4.80 1.57 -1.51 -3.45 116.57 111.43 3hrw h LYS 17 Ca 0.31 0.05 -0.48 0.00 -1.87 0.00 0.00 60.65 58.65 3hrw h LYS 17 Cb -0.07 0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3hrw h LYS 17 CO -0.09 -0.45 0.41 0.14 -0.57 0.00 0.00 179.45 178.89 3hrw s VAL 18 N -6.02 3.77 0.15 0.50 -7.23 -1.08 -4.99 120.40 105.51 3hrw s VAL 18 Ca -0.17 1.42 -0.31 0.00 -1.81 0.00 0.00 61.98 61.11 3hrw s VAL 18 Cb 0.06 -3.77 -0.10 0.00 0.56 0.00 0.00 36.38 33.13 3hrw s VAL 18 CO 0.63 0.07 1.67 0.21 -0.31 0.00 0.00 175.10 177.38 3hrw s ASN 19 N -1.48 6.50 -1.47 4.85 3.84 -1.26 -4.87 114.94 121.05 3hrw s ASN 19 Ca 0.55 2.69 -0.09 0.00 0.21 0.00 0.00 52.86 56.22 3hrw s ASN 19 Cb -0.23 -2.59 0.02 0.00 -0.55 0.00 0.00 41.25 37.91 3hrw s ASN 19 CO 0.29 -0.91 2.56 -1.20 -2.79 0.00 0.00 177.10 175.05 3hrw n SER 20 N 4.56 7.53 0.10 -4.21 7.64 -1.26 -4.03 113.62 123.94 3hrw n SER 20 Ca 0.15 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.18 3hrw n SER 20 Cb 0.38 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 3hrw n SER 20 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hrw n ASP 21 N 3.30 -1.74 0.11 6.43 5.75 -1.26 -4.86 116.55 124.28 3hrw n ASP 21 Ca 0.66 0.52 0.10 0.00 -0.01 0.00 0.00 54.79 56.06 3hrw n ASP 21 Cb 0.27 1.85 0.45 0.00 -1.03 0.00 0.00 41.12 42.66 3hrw n ASP 21 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3hrw n GLU 22 N -2.97 0.13 0.08 0.11 2.13 -1.26 -0.79 120.64 118.07 3hrw n GLU 22 Ca 0.00 0.50 -0.23 0.00 0.66 0.00 0.00 57.16 58.08 3hrw n GLU 22 Cb 0.00 -1.82 -0.15 0.00 0.27 0.00 0.00 31.44 29.74 3hrw n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hrw h VAL 23 N 0.00 1.06 0.68 6.31 2.07 -1.91 -3.13 116.25 121.32 3hrw h VAL 23 Ca 0.00 -2.54 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 3hrw h VAL 23 Cb 0.17 2.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3hrw h VAL 23 CO 0.00 0.82 -0.32 1.23 0.02 0.00 0.00 177.57 179.32 3hrw h GLY 24 N 0.40 -0.95 1.80 2.17 0.00 -1.22 0.44 103.07 105.72 3hrw h GLY 24 Ca -0.31 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hrw h GLY 24 CO 0.18 -0.34 0.07 0.61 0.00 0.00 0.00 176.54 177.06 3hrw n GLY 25 N -0.65 -0.69 0.12 4.60 0.00 -0.88 -0.42 105.19 107.27 3hrw n GLY 25 Ca -0.11 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3hrw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hrw h GLU 26 N 0.00 0.18 0.00 1.61 4.22 -1.38 -3.19 114.58 116.03 3hrw h GLU 26 Ca 0.00 -0.31 -0.13 0.00 0.08 0.00 0.00 59.36 59.00 3hrw h GLU 26 Cb 0.14 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3hrw h GLU 26 CO 0.00 1.15 -0.60 0.00 -2.18 0.00 0.00 179.01 177.38 3hrw h ALA 27 N -0.12 0.71 0.10 2.92 0.00 0.15 -2.83 119.26 120.20 3hrw h ALA 27 Ca -0.30 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 53.93 3hrw h ALA 27 Cb 1.64 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.35 3hrw h ALA 27 CO 0.01 0.75 -0.59 1.25 0.00 0.00 0.00 179.25 180.67 3hrw h LEU 28 N 0.00 0.35 -0.79 0.00 5.85 -0.91 -1.70 115.31 118.10 3hrw h LEU 28 Ca -0.01 -0.95 0.15 0.00 0.84 0.00 0.00 57.88 57.91 3hrw h LEU 28 Cb 1.32 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 3hrw h LEU 28 CO 0.08 1.27 0.34 1.23 -0.34 0.00 0.00 178.44 181.03 3hrw h GLY 29 N -0.52 1.24 1.16 3.75 0.00 -1.64 -1.73 103.07 105.34 3hrw h GLY 29 Ca -0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3hrw h GLY 29 CO 0.11 -0.10 -0.12 3.21 0.00 0.00 0.00 176.54 179.64 3hrw h ARG 30 N 0.49 0.98 -0.65 4.80 3.08 -1.49 0.34 114.38 121.92 3hrw h ARG 30 Ca 0.44 -0.36 0.10 0.00 0.07 0.00 0.00 59.98 60.23 3hrw h ARG 30 Cb 0.67 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3hrw h ARG 30 CO -0.40 1.03 0.27 1.25 -1.07 0.00 0.00 179.97 181.05 3hrw h LEU 31 N 0.87 0.29 -0.71 3.04 5.85 -0.50 0.22 115.31 124.37 3hrw h LEU 31 Ca 0.13 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 3hrw h LEU 31 Cb 0.68 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3hrw h LEU 31 CO 0.05 0.16 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.62 3hrw h LEU 32 N 0.46 0.10 0.03 2.25 4.07 -0.80 -2.56 115.31 118.85 3hrw h LEU 32 Ca 0.33 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 3hrw h LEU 32 Cb 0.41 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3hrw h LEU 32 CO -0.31 0.70 -0.01 0.58 -1.08 0.00 0.00 178.44 178.31 3hrw h VAL 33 N 0.06 1.43 0.00 1.22 2.07 0.11 -3.29 116.25 117.85 3hrw h VAL 33 Ca -0.01 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 65.73 3hrw h VAL 33 Cb 1.11 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 3hrw h VAL 33 CO 0.09 0.42 -0.45 -0.37 0.02 0.00 0.00 177.57 177.27 3hrw h VAL 34 N -0.81 0.94 -3.26 2.57 -1.51 -0.76 -3.37 116.25 110.05 3hrw h VAL 34 Ca -0.00 -1.85 -0.60 0.00 -1.23 0.00 0.00 66.70 63.02 3hrw h VAL 34 Cb 0.71 2.13 -0.40 0.00 -2.13 0.00 0.00 31.29 31.60 3hrw h VAL 34 CO 0.01 0.45 -0.75 -0.31 -1.23 0.00 0.00 177.57 175.73 3hrw s TYR 35 N -3.37 2.11 -1.15 5.19 2.02 -0.97 -5.00 117.35 116.19 3hrw s TYR 35 Ca 0.01 -1.99 0.25 0.00 -0.37 0.00 0.00 57.07 54.98 3hrw s TYR 35 Cb 0.10 -1.95 0.53 0.00 -0.40 0.00 0.00 41.96 40.24 3hrw s TYR 35 CO 0.71 -0.89 1.43 -2.30 -1.57 0.00 0.00 175.55 172.93 3hrw n PRO 36 N 4.73 0.17 0.00 -1.71 -0.02 -1.24 -3.12 135.00 133.80 3hrw n PRO 36 Ca -0.01 -0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 3hrw n PRO 36 Cb 0.42 -1.50 0.73 0.00 -0.02 0.00 0.00 33.50 33.14 3hrw n PRO 36 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3hrw n TRP 37 N -1.33 0.00 0.59 6.00 2.14 -1.26 -3.14 117.44 120.44 3hrw n TRP 37 Ca 0.07 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.76 3hrw n TRP 37 Cb 0.34 -0.02 0.32 0.00 -0.81 0.00 0.00 31.31 31.13 3hrw n TRP 37 CO 0.00 0.00 0.00 1.15 2.07 0.00 0.00 177.69 180.91 3hrw h THR 38 N 0.00 0.00 0.00 -1.67 2.02 -1.86 -3.26 112.91 108.13 3hrw h THR 38 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hrw h THR 38 Cb 0.01 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3hrw h THR 38 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3hrw n GLN 39 N -2.24 0.16 -1.66 6.66 6.02 -1.19 -4.63 117.38 120.52 3hrw n GLN 39 Ca 0.05 0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.77 3hrw n GLN 39 Cb 0.44 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.26 3hrw n GLN 39 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3hrw s ARG 40 N -2.80 2.63 -0.80 -1.09 3.52 -1.23 -1.18 118.95 117.99 3hrw s ARG 40 Ca 0.17 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.22 3hrw s ARG 40 Cb 0.16 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 3hrw s ARG 40 CO 0.42 -1.40 0.00 2.48 -0.81 0.00 0.00 175.30 175.99 3hrw n TYR 41 N -2.56 -0.13 -3.48 5.12 0.18 -1.26 -4.89 117.16 110.14 3hrw n TYR 41 Ca 0.11 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.62 3hrw n TYR 41 Cb 0.52 -2.20 -0.09 0.00 -0.38 0.00 0.00 39.34 37.19 3hrw n TYR 41 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3hrw n PHE 42 N -1.73 2.00 -0.03 -3.48 3.72 -0.33 -4.84 117.46 112.77 3hrw n PHE 42 Ca -0.07 -3.94 0.00 0.00 -0.05 0.00 0.00 57.45 53.38 3hrw n PHE 42 Cb 0.43 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3hrw n PHE 42 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hrw n ASP 43 N 1.54 0.05 -0.64 4.37 8.00 -1.26 -4.22 116.55 124.39 3hrw n ASP 43 Ca 0.25 -0.38 0.05 0.00 0.71 0.00 0.00 54.79 55.42 3hrw n ASP 43 Cb 0.43 0.61 0.14 0.00 -0.02 0.00 0.00 41.12 42.28 3hrw n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hrw n SER 44 N -0.61 1.83 -0.01 -2.24 3.41 -1.26 -4.34 113.62 110.40 3hrw n SER 44 Ca 0.00 -2.05 0.06 0.00 -0.26 0.00 0.00 58.87 56.61 3hrw n SER 44 Cb 0.01 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 3hrw n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hrw n PHE 45 N 0.39 0.00 -3.78 7.33 3.72 -1.26 -5.12 117.46 118.74 3hrw n PHE 45 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3hrw n PHE 45 Cb 0.31 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3hrw n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrw n GLY 46 N 1.74 -0.73 3.63 1.37 0.00 -1.26 -4.84 105.19 105.09 3hrw n GLY 46 Ca -0.05 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3hrw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrw s ASP 47 N -4.00 6.01 -0.04 1.61 2.15 -1.26 -4.85 116.67 116.29 3hrw s ASP 47 Ca 0.00 2.07 0.06 0.00 0.43 0.00 0.00 52.55 55.12 3hrw s ASP 47 Cb 0.00 -2.52 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 3hrw s ASP 47 CO 0.00 -1.49 1.05 0.18 -0.17 0.00 0.00 175.17 174.74 3hrw n LEU 48 N 9.52 2.10 0.02 -1.34 4.77 -1.26 -4.35 117.00 126.45 3hrw n LEU 48 Ca 0.24 -2.34 -0.02 0.00 -0.03 0.00 0.00 56.01 53.86 3hrw n LEU 48 Cb 0.44 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3hrw n LEU 48 CO 0.66 0.56 0.50 0.28 -1.33 0.00 0.00 177.39 178.07 3hrw h SER 49 N 0.00 -0.16 -2.84 -1.43 0.02 -1.92 -3.38 113.55 103.84 3hrw h SER 49 Ca 0.00 0.01 -0.63 0.00 -0.84 0.00 0.00 61.79 60.33 3hrw h SER 49 Cb 0.67 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3hrw h SER 49 CO 0.00 -0.07 -0.44 -0.94 -1.14 0.00 0.00 176.83 174.25 3hrw s SER 50 N -2.58 6.43 0.47 3.07 1.04 -1.26 -4.90 113.70 115.98 3hrw s SER 50 Ca -0.02 0.46 0.36 0.00 0.48 0.00 0.00 55.95 57.23 3hrw s SER 50 Cb 0.01 -2.05 1.52 0.00 0.10 0.00 0.00 66.02 65.59 3hrw s SER 50 CO 0.06 0.27 1.61 0.00 0.98 0.00 0.00 173.24 176.16 3hrw h ALA 51 N 3.99 3.03 -0.08 5.32 0.00 -1.98 3.69 119.26 133.23 3hrw h ALA 51 Ca -0.50 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3hrw h ALA 51 Cb 1.20 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3hrw h ALA 51 CO 0.67 -1.65 -0.50 0.66 0.00 0.00 0.00 179.25 178.42 3hrw h SER 52 N 0.04 0.24 0.79 0.00 4.64 -1.95 0.26 113.55 117.58 3hrw h SER 52 Ca 0.85 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 62.02 3hrw h SER 52 Cb 2.90 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 64.93 3hrw h SER 52 CO -0.32 0.71 -0.38 0.00 -0.87 0.00 0.00 176.83 175.96 3hrw h ALA 53 N 1.30 -1.16 -0.35 5.18 0.00 0.66 -1.80 119.26 123.09 3hrw h ALA 53 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3hrw h ALA 53 Cb 0.95 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3hrw h ALA 53 CO 0.08 -1.09 -0.06 0.82 0.00 0.00 0.00 179.25 179.00 3hrw h ILE 54 N -1.16 0.67 -0.60 0.00 2.04 -0.98 -1.56 117.51 115.92 3hrw h ILE 54 Ca -0.11 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hrw h ILE 54 Cb 0.81 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3hrw h ILE 54 CO 0.18 0.00 0.38 0.24 0.00 0.00 0.00 178.15 178.95 3hrw h MET 55 N 0.03 0.73 -2.83 2.37 2.86 -0.54 -3.00 114.93 114.55 3hrw h MET 55 Ca 0.17 -0.04 -0.80 0.00 -2.06 0.00 0.00 59.70 56.96 3hrw h MET 55 Cb 0.25 -0.17 -0.27 0.00 0.06 0.00 0.00 31.60 31.48 3hrw h MET 55 CO -0.34 0.48 0.95 0.41 1.06 0.00 0.00 176.91 179.48 3hrw n GLY 56 N -1.26 5.33 2.75 8.32 0.00 -0.61 -4.84 105.19 114.87 3hrw n GLY 56 Ca 0.05 -2.60 -0.27 0.00 0.00 0.00 0.00 46.02 43.20 3hrw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hrw s ASN 57 N -1.50 2.76 0.00 1.61 2.47 -1.07 -4.77 114.94 114.44 3hrw s ASN 57 Ca 0.33 -0.73 0.21 0.00 0.42 0.00 0.00 52.86 53.09 3hrw s ASN 57 Cb 0.08 -0.60 1.22 0.00 -1.45 0.00 0.00 41.25 40.50 3hrw s ASN 57 CO 0.06 -0.29 1.64 0.00 -3.72 0.00 0.00 177.10 174.78 3hrw n ALA 58 N 5.05 2.25 -0.02 1.71 0.00 -1.26 -1.42 120.51 126.82 3hrw n ALA 58 Ca -0.09 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 3hrw n ALA 58 Cb 0.47 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 3hrw n ALA 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hrw h LYS 59 N 0.00 0.15 -0.22 0.00 1.79 -1.96 -1.93 116.57 114.40 3hrw h LYS 59 Ca 0.00 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3hrw h LYS 59 Cb 0.03 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3hrw h LYS 59 CO 0.00 1.12 0.13 0.28 -1.08 0.00 0.00 179.45 179.90 3hrw h VAL 60 N -0.66 1.10 -0.68 0.50 2.07 -1.68 0.88 116.25 117.79 3hrw h VAL 60 Ca -0.15 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3hrw h VAL 60 Cb 1.40 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3hrw h VAL 60 CO 0.03 0.10 0.43 0.50 0.02 0.00 0.00 177.57 178.65 3hrw h LYS 61 N 0.26 0.81 0.05 1.57 3.64 -1.38 0.22 116.57 121.74 3hrw h LYS 61 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hrw h LYS 61 Cb 0.05 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3hrw h LYS 61 CO -0.01 0.54 -0.03 0.00 -2.27 0.00 0.00 179.45 177.68 3hrw h ALA 62 N 1.29 -0.07 0.00 5.00 0.00 -0.65 -2.59 119.26 122.24 3hrw h ALA 62 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrw h ALA 62 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hrw h ALA 62 CO -0.10 -0.52 0.00 1.25 0.00 0.00 0.00 179.25 179.88 3hrw h HIS 63 N -0.11 0.00 -0.09 0.00 -0.00 0.11 -3.13 115.15 111.92 3hrw h HIS 63 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 3hrw h HIS 63 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.46 3hrw h HIS 63 CO -0.06 0.00 -0.19 0.78 -0.00 0.00 0.00 177.93 178.46 3hrw h GLY 64 N 1.75 -0.18 1.21 5.26 0.00 -0.54 -2.59 103.07 107.98 3hrw h GLY 64 Ca 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3hrw h GLY 64 CO 0.00 -0.17 0.09 0.50 0.00 0.00 0.00 176.54 176.95 3hrw h LYS 65 N -0.26 0.97 0.88 4.80 1.57 -1.63 -2.27 116.57 120.62 3hrw h LYS 65 Ca 0.08 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3hrw h LYS 65 Cb 0.38 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.58 3hrw h LYS 65 CO -0.24 0.90 -0.42 0.87 -0.57 0.00 0.00 179.45 179.99 3hrw h LYS 66 N 0.91 -1.14 -0.82 3.15 1.57 -1.64 0.57 116.57 119.17 3hrw h LYS 66 Ca 0.18 0.08 0.24 0.00 -1.87 0.00 0.00 60.65 59.28 3hrw h LYS 66 Cb 0.41 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3hrw h LYS 66 CO 0.01 -0.76 0.60 0.28 -0.57 0.00 0.00 179.45 179.01 3hrw h VAL 67 N -1.23 0.56 0.10 0.50 2.07 -1.44 0.29 116.25 117.10 3hrw h VAL 67 Ca -0.12 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 3hrw h VAL 67 Cb 0.91 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3hrw h VAL 67 CO 0.20 0.00 -0.85 0.40 0.02 0.00 0.00 177.57 177.34 3hrw h ILE 68 N 0.00 1.44 -0.89 4.57 2.04 -1.03 -2.28 117.51 121.36 3hrw h ILE 68 Ca 0.39 -2.40 0.11 0.00 1.00 0.00 0.00 64.86 63.96 3hrw h ILE 68 Cb 1.58 2.95 -0.08 0.00 -0.74 0.00 0.00 36.82 40.53 3hrw h ILE 68 CO -0.00 0.69 0.52 0.71 0.00 0.00 0.00 178.15 180.07 3hrw h THR 69 N -0.18 0.88 -0.31 -0.27 1.35 0.38 1.09 112.91 115.85 3hrw h THR 69 Ca -0.14 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 3hrw h THR 69 Cb 1.61 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3hrw h THR 69 CO 0.16 0.15 0.15 0.00 -0.25 0.00 0.00 175.52 175.74 3hrw h ALA 70 N 1.50 0.40 -0.62 6.62 0.00 -1.35 0.10 119.26 125.92 3hrw h ALA 70 Ca 0.44 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3hrw h ALA 70 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hrw h ALA 70 CO -0.27 -0.04 0.41 0.35 0.00 0.00 0.00 179.25 179.69 3hrw h PHE 71 N 0.37 0.77 -0.13 0.00 3.57 0.84 0.17 116.94 122.53 3hrw h PHE 71 Ca 0.11 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3hrw h PHE 71 Cb 0.11 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3hrw h PHE 71 CO -0.02 0.48 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.48 3hrw h ASN 72 N 0.83 -0.48 -0.85 0.41 2.35 0.11 -0.35 115.58 117.59 3hrw h ASN 72 Ca 0.23 0.09 0.22 0.00 -0.55 0.00 0.00 56.30 56.29 3hrw h ASN 72 Cb -0.08 0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 3hrw h ASN 72 CO -0.06 -0.20 0.59 -0.78 -1.65 0.00 0.00 177.43 175.33 3hrw h ASP 73 N -0.19 0.18 0.29 5.81 -0.00 0.19 2.07 116.42 124.76 3hrw h ASP 73 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.13 3hrw h ASP 73 Cb 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3hrw h ASP 73 CO -0.25 0.07 -0.14 1.23 -0.00 0.00 0.00 179.24 180.15 3hrw h GLY 74 N 0.17 -0.40 -0.09 -0.78 0.00 -0.40 -2.99 103.07 98.58 3hrw h GLY 74 Ca 0.42 0.15 0.28 0.00 0.00 0.00 0.00 47.33 48.18 3hrw h GLY 74 CO -0.08 -0.15 0.71 -2.00 0.00 0.00 0.00 176.54 175.03 3hrw h LEU 75 N -0.65 0.21 0.01 3.11 5.85 0.50 1.25 115.31 125.58 3hrw h LEU 75 Ca -0.04 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3hrw h LEU 75 Cb 0.46 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3hrw h LEU 75 CO 0.06 0.05 -0.26 0.78 -0.34 0.00 0.00 178.44 178.73 3hrw h ASN 76 N 0.19 0.21 -2.09 1.25 2.35 -1.39 -3.38 115.58 112.71 3hrw h ASN 76 Ca 0.54 -0.82 -0.78 0.00 -0.55 0.00 0.00 56.30 54.68 3hrw h ASN 76 Cb 1.75 -0.07 -0.27 0.00 0.05 0.00 0.00 38.32 39.79 3hrw h ASN 76 CO -0.13 1.01 1.04 1.41 -1.65 0.00 0.00 177.43 179.10 3hrw n HIS 77 N -4.49 2.91 0.28 1.19 8.25 0.42 -4.78 115.22 119.00 3hrw n HIS 77 Ca -0.10 -2.42 0.15 0.00 -0.26 0.00 0.00 57.72 55.08 3hrw n HIS 77 Cb 0.53 -1.18 0.88 0.00 1.12 0.00 0.00 29.99 31.34 3hrw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hrw h LEU 78 N 3.46 0.00 0.00 2.41 3.38 -1.53 -1.68 115.31 121.35 3hrw h LEU 78 Ca 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.52 3hrw h LEU 78 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hrw h LEU 78 CO 1.33 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 180.17 3hrw h ASP 79 N 0.00 0.00 -0.38 -0.43 3.32 -1.88 -3.40 116.42 113.65 3hrw h ASP 79 Ca 0.01 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.98 3hrw h ASP 79 Cb 0.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 3hrw h ASP 79 CO -0.00 0.63 -0.34 0.28 -1.72 0.00 0.00 179.24 178.09 3hrw h SER 80 N -1.00 -1.19 0.00 6.45 0.02 -1.85 -3.40 113.55 112.58 3hrw h SER 80 Ca -0.01 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hrw h SER 80 Cb 0.24 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3hrw h SER 80 CO -0.01 -0.20 0.00 -0.11 -1.14 0.00 0.00 176.83 175.37 3hrw n LEU 81 N -4.32 0.00 -0.10 5.07 7.94 -0.67 -3.15 117.00 121.77 3hrw n LEU 81 Ca -0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.77 3hrw n LEU 81 Cb 0.19 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.01 3hrw n LEU 81 CO -0.03 0.00 -1.14 0.29 -1.11 0.00 0.00 177.39 175.39 3hrw n LYS 82 N 0.00 0.88 -0.31 1.96 4.01 -1.26 -4.31 118.16 119.13 3hrw n LYS 82 Ca 0.00 0.05 0.06 0.00 -0.51 0.00 0.00 58.31 57.91 3hrw n LYS 82 Cb 0.00 -1.45 0.20 0.00 -0.51 0.00 0.00 35.03 33.27 3hrw n LYS 82 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hrw n GLY 83 N 2.13 1.42 0.00 0.72 0.00 -1.19 -3.63 105.19 104.64 3hrw n GLY 83 Ca -0.34 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 3hrw n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hrw n THR 84 N 0.61 0.05 0.66 2.61 -2.24 -1.26 -4.37 114.28 110.34 3hrw n THR 84 Ca 0.15 -0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 3hrw n THR 84 Cb 0.50 -0.96 0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3hrw n THR 84 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hrw n PHE 85 N -2.04 0.45 -0.25 4.78 3.72 -1.26 -4.43 117.46 118.43 3hrw n PHE 85 Ca -0.01 -0.16 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 3hrw n PHE 85 Cb 0.52 -0.17 0.11 0.00 -0.94 0.00 0.00 39.48 39.00 3hrw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hrw h ALA 86 N 2.56 0.98 -0.15 4.37 0.00 -1.76 -2.44 119.26 122.82 3hrw h ALA 86 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3hrw h ALA 86 Cb 0.77 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hrw h ALA 86 CO 0.10 0.11 -0.66 0.77 0.00 0.00 0.00 179.25 179.58 3hrw h SER 87 N 0.77 0.85 0.79 0.00 0.02 -1.92 -3.03 113.55 111.02 3hrw h SER 87 Ca 0.32 -0.62 -0.09 0.00 -0.84 0.00 0.00 61.79 60.56 3hrw h SER 87 Cb 0.18 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3hrw h SER 87 CO -0.18 1.33 -0.45 -0.07 -1.14 0.00 0.00 176.83 176.32 3hrw h LEU 88 N 0.42 0.00 -0.01 5.07 -0.00 -1.88 -3.02 115.31 115.89 3hrw h LEU 88 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3hrw h LEU 88 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 3hrw h LEU 88 CO 0.14 0.45 0.00 -1.28 -0.00 0.00 0.00 178.44 177.75 3hrw h SER 89 N 0.00 0.01 -0.24 -0.43 0.87 -1.31 0.63 113.55 113.08 3hrw h SER 89 Ca -0.00 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3hrw h SER 89 Cb 0.96 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3hrw h SER 89 CO 0.06 0.21 0.07 -0.33 -0.53 0.00 0.00 176.83 176.31 3hrw h GLU 90 N -0.19 0.45 0.00 2.24 5.08 -1.65 -2.87 114.58 117.64 3hrw h GLU 90 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3hrw h GLU 90 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hrw h GLU 90 CO -0.00 0.42 -0.70 1.25 -1.00 0.00 0.00 179.01 178.99 3hrw h LEU 91 N 0.45 0.00 -1.67 1.33 6.46 -1.28 0.33 115.31 120.93 3hrw h LEU 91 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3hrw h LEU 91 Cb 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3hrw h LEU 91 CO -0.00 0.70 0.00 1.41 -0.62 0.00 0.00 178.44 179.92 3hrw n HIS 92 N -3.71 0.68 0.03 1.25 8.25 0.22 -2.75 115.22 119.19 3hrw n HIS 92 Ca -0.01 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3hrw n HIS 92 Cb 0.68 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3hrw n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hrw n ASP 94 N -2.79 7.55 0.00 0.00 8.00 0.10 -2.81 116.55 126.59 3hrw n ASP 94 Ca 0.00 -3.82 0.00 0.00 0.71 0.00 0.00 54.79 51.68 3hrw n ASP 94 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3hrw n ASP 94 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3hrw n LYS 95 N -0.67 0.00 -0.00 -1.24 2.85 -1.25 -4.89 118.16 112.96 3hrw n LYS 95 Ca 0.57 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.83 3hrw n LYS 95 Cb 0.39 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.77 3hrw n LYS 95 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hrw n LEU 96 N 0.00 0.00 -0.40 -5.58 4.77 -1.11 -5.04 117.00 109.64 3hrw n LEU 96 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3hrw n LEU 96 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3hrw n LEU 96 CO 0.00 0.00 -0.05 1.41 -1.33 0.00 0.00 177.39 177.42 3hrw n HIS 97 N -1.97 -0.05 -1.65 -1.77 8.25 -1.12 -4.92 115.22 111.99 3hrw n HIS 97 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3hrw n HIS 97 Cb 0.47 -1.28 0.06 0.00 1.12 0.00 0.00 29.99 30.35 3hrw n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hrw n VAL 98 N -3.12 4.03 -3.34 1.59 0.31 -1.00 -4.93 118.33 111.87 3hrw n VAL 98 Ca -0.05 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.39 3hrw n VAL 98 Cb 0.24 -1.25 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 3hrw n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hrw s ASP 99 N -1.27 6.36 0.66 4.52 -1.08 -1.26 -4.76 116.67 119.83 3hrw s ASP 99 Ca 0.77 0.42 0.02 0.00 -0.52 0.00 0.00 52.55 53.25 3hrw s ASP 99 Cb -0.41 -2.24 0.11 0.00 -1.46 0.00 0.00 42.92 38.93 3hrw s ASP 99 CO 0.45 -0.19 1.06 -0.65 0.52 0.00 0.00 175.17 176.36 3hrw h PRO 100 N 7.92 0.00 0.00 4.34 0.11 -1.92 -2.08 132.00 140.37 3hrw h PRO 100 Ca -0.32 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 3hrw h PRO 100 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3hrw h PRO 100 CO 0.68 0.00 -0.58 0.93 -0.21 0.00 0.00 178.00 178.82 3hrw h GLU 101 N 0.00 0.00 0.00 1.05 4.39 -1.96 -3.28 114.58 114.78 3hrw h GLU 101 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3hrw h GLU 101 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 3hrw h GLU 101 CO -0.00 0.58 0.00 0.09 -1.16 0.00 0.00 179.01 178.52 3hrw n ASN 102 N -3.53 0.48 -0.11 1.42 4.13 -0.78 -2.48 115.26 114.39 3hrw n ASN 102 Ca -0.00 0.58 -0.09 0.00 1.68 0.00 0.00 54.58 56.75 3hrw n ASN 102 Cb 0.65 -0.70 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 3hrw n ASN 102 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3hrw h PHE 103 N 0.00 0.51 -0.40 3.10 0.04 -1.77 0.31 116.94 118.73 3hrw h PHE 103 Ca 0.00 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3hrw h PHE 103 Cb 0.47 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3hrw h PHE 103 CO 0.00 0.47 0.06 -0.09 -0.60 0.00 0.00 178.31 178.15 3hrw h ARG 104 N 0.41 0.62 -0.10 1.51 9.65 -1.69 0.34 114.38 125.12 3hrw h ARG 104 Ca 0.11 -0.12 -0.20 0.00 -1.10 0.00 0.00 59.98 58.68 3hrw h ARG 104 Cb 0.17 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3hrw h ARG 104 CO -0.01 0.60 -0.75 1.25 2.80 0.00 0.00 179.97 183.86 3hrw h LEU 105 N 0.60 0.63 0.19 3.80 5.85 -1.28 -0.64 115.31 124.46 3hrw h LEU 105 Ca 0.13 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3hrw h LEU 105 Cb 0.29 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hrw h LEU 105 CO 0.00 1.17 -0.09 0.25 -0.34 0.00 0.00 178.44 179.44 3hrw h LEU 106 N 0.36 -0.22 -0.87 2.25 6.46 -0.05 -2.97 115.31 120.28 3hrw h LEU 106 Ca -0.04 -0.24 0.16 0.00 -0.12 0.00 0.00 57.88 57.64 3hrw h LEU 106 Cb 1.34 0.06 -0.16 0.00 -0.73 0.00 0.00 40.66 41.17 3hrw h LEU 106 CO 0.14 0.15 -0.27 1.23 -0.62 0.00 0.00 178.44 179.07 3hrw h GLY 107 N -0.62 0.45 0.84 3.75 0.00 -0.21 0.68 103.07 107.97 3hrw h GLY 107 Ca -0.03 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.73 3hrw h GLY 107 CO 0.04 -0.30 0.57 3.43 0.00 0.00 0.00 176.54 180.28 3hrw h ASN 108 N -0.02 0.83 -0.12 0.19 -0.26 -1.15 0.20 115.58 115.25 3hrw h ASN 108 Ca 0.39 0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 56.08 3hrw h ASN 108 Cb 0.63 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 3hrw h ASN 108 CO -0.90 0.52 -0.09 0.24 -1.06 0.00 0.00 177.43 176.14 3hrw h MET 109 N 0.93 0.43 -0.51 0.81 2.86 0.46 0.21 114.93 120.12 3hrw h MET 109 Ca 0.38 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.83 3hrw h MET 109 Cb 0.28 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3hrw h MET 109 CO -0.15 0.53 -0.03 0.82 1.06 0.00 0.00 176.91 179.15 3hrw h ILE 110 N 0.41 1.27 0.01 -1.22 2.04 0.12 -1.09 117.51 119.04 3hrw h ILE 110 Ca 0.08 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3hrw h ILE 110 Cb 0.42 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3hrw h ILE 110 CO 0.02 0.40 -0.00 0.58 0.00 0.00 0.00 178.15 179.15 3hrw h VAL 111 N 0.78 1.33 -0.91 1.67 2.07 -0.93 0.17 116.25 120.44 3hrw h VAL 111 Ca 0.14 -1.03 0.12 0.00 0.82 0.00 0.00 66.70 66.76 3hrw h VAL 111 Cb 0.56 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 3hrw h VAL 111 CO 0.03 0.27 0.58 0.40 0.02 0.00 0.00 177.57 178.87 3hrw h ILE 112 N -0.45 0.90 -0.04 4.57 2.04 -0.99 -2.04 117.51 121.50 3hrw h ILE 112 Ca -0.00 -0.28 -0.20 0.00 1.00 0.00 0.00 64.86 65.38 3hrw h ILE 112 Cb 0.44 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3hrw h ILE 112 CO 0.00 0.15 -0.82 0.58 0.00 0.00 0.00 178.15 178.06 3hrw h VAL 113 N 0.81 1.41 0.00 1.67 2.07 -1.09 -2.94 116.25 118.18 3hrw h VAL 113 Ca 0.44 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 3hrw h VAL 113 Cb 0.57 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3hrw h VAL 113 CO -0.21 0.69 -0.07 -0.07 0.02 0.00 0.00 177.57 177.94 3hrw h LEU 114 N 0.22 0.00 -2.16 2.57 3.38 0.08 -0.25 115.31 119.14 3hrw h LEU 114 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hrw h LEU 114 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3hrw h LEU 114 CO 0.14 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3hrw n GLY 115 N -1.15 1.32 0.12 0.83 0.00 -1.09 -3.03 105.19 102.18 3hrw n GLY 115 Ca -0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 3hrw n GLY 115 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hrw h HIS 116 N 3.52 0.52 -0.18 1.61 6.17 -0.91 -1.85 115.15 124.02 3hrw h HIS 116 Ca 0.00 -0.38 -0.06 0.00 0.71 0.00 0.00 60.37 60.64 3hrw h HIS 116 Cb 0.82 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 3hrw h HIS 116 CO 0.16 1.41 -0.15 0.45 0.71 0.00 0.00 177.93 180.51 3hrw h HIS 117 N -0.34 0.31 -0.00 5.26 -0.00 -1.36 -3.37 115.15 115.65 3hrw h HIS 117 Ca -0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3hrw h HIS 117 Cb 1.70 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 29.03 3hrw h HIS 117 CO 0.17 0.44 -0.14 1.28 -0.00 0.00 0.00 177.93 179.69 3hrw n LEU 118 N -4.23 0.40 0.00 2.43 4.32 -1.17 -5.03 117.00 113.72 3hrw n LEU 118 Ca -0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 56.01 55.39 3hrw n LEU 118 Cb 0.30 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3hrw n LEU 118 CO 0.39 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 3hrw n GLY 119 N 0.91 1.03 0.14 -0.72 0.00 -0.70 -1.71 105.19 104.15 3hrw n GLY 119 Ca 0.01 0.70 -0.24 0.00 0.00 0.00 0.00 46.02 46.49 3hrw n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrw h LYS 120 N 0.00 0.46 -0.31 1.61 6.56 -1.96 -3.24 116.57 119.70 3hrw h LYS 120 Ca 0.00 -0.79 0.09 0.00 -1.06 0.00 0.00 60.65 58.88 3hrw h LYS 120 Cb 0.00 0.30 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 3hrw h LYS 120 CO 0.00 1.38 0.95 -0.44 -2.06 0.00 0.00 179.45 179.28 3hrw h ASP 121 N 0.13 0.00 -3.38 0.86 3.32 -1.76 -3.37 116.42 112.21 3hrw h ASP 121 Ca -0.29 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.14 3hrw h ASP 121 Cb 2.13 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 41.53 3hrw h ASP 121 CO 0.23 0.00 -0.54 0.12 -1.72 0.00 0.00 179.24 177.33 3hrw s PHE 122 N -4.16 3.28 0.05 4.55 5.36 -1.22 -5.02 117.98 120.81 3hrw s PHE 122 Ca -0.01 0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 56.01 3hrw s PHE 122 Cb 0.06 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.57 3hrw s PHE 122 CO 0.19 0.11 0.09 0.95 -1.46 0.00 0.00 175.22 175.10 3hrw s THR 123 N 0.63 0.15 0.18 0.12 -4.23 -1.26 -4.92 115.64 106.32 3hrw s THR 123 Ca 0.05 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 3hrw s THR 123 Cb -0.13 -1.06 0.19 0.00 1.34 0.00 0.00 72.50 72.84 3hrw s THR 123 CO 0.01 -0.68 1.25 -2.65 -0.54 0.00 0.00 174.62 172.02 3hrw n PRO 124 N 0.54 -0.19 -0.09 3.99 -0.02 -1.26 0.30 135.00 138.26 3hrw n PRO 124 Ca -0.18 1.24 0.16 0.00 -2.02 0.00 0.00 63.50 62.71 3hrw n PRO 124 Cb 0.59 -1.84 0.57 0.00 -0.02 0.00 0.00 33.50 32.80 3hrw n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrw h ALA 125 N 1.09 2.23 0.00 3.55 0.00 -1.99 0.24 119.26 124.39 3hrw h ALA 125 Ca 0.28 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.84 3hrw h ALA 125 Cb 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3hrw h ALA 125 CO -0.80 -0.41 -2.06 0.00 0.00 0.00 0.00 179.25 175.99 3hrw n ALA 126 N -2.56 1.48 0.27 0.00 0.00 0.66 -3.65 120.51 116.71 3hrw n ALA 126 Ca 0.12 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 3hrw n ALA 126 Cb 0.53 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 3hrw n ALA 126 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hrw h GLN 127 N 0.00 -0.65 -0.04 0.00 4.15 0.56 -3.03 115.11 116.09 3hrw h GLN 127 Ca -0.42 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3hrw h GLN 127 Cb 2.13 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 29.96 3hrw h GLN 127 CO 0.05 -0.44 0.03 0.00 -1.93 0.00 0.00 178.83 176.54 3hrw h ALA 128 N -1.66 1.97 -0.85 3.38 0.00 -1.21 -0.38 119.26 120.51 3hrw h ALA 128 Ca -0.07 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.04 3hrw h ALA 128 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3hrw h ALA 128 CO 0.11 0.03 0.58 0.00 0.00 0.00 0.00 179.25 179.97 3hrw h ALA 129 N 1.97 2.35 0.11 0.00 0.00 -1.61 0.15 119.26 122.23 3hrw h ALA 129 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3hrw h ALA 129 Cb -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hrw h ALA 129 CO -0.00 -0.61 -1.20 0.74 0.00 0.00 0.00 179.25 178.18 3hrw h PHE 130 N 0.29 0.62 -0.13 0.00 0.04 -0.95 -3.38 116.94 113.43 3hrw h PHE 130 Ca 0.43 -0.42 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3hrw h PHE 130 Cb 1.23 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 3hrw h PHE 130 CO -0.00 1.30 -0.14 1.96 -0.60 0.00 0.00 178.31 180.83 3hrw h GLN 131 N 0.13 -0.16 -0.98 1.51 1.08 -0.48 0.26 115.11 116.48 3hrw h GLN 131 Ca -0.14 0.01 0.32 0.00 -1.45 0.00 0.00 58.65 57.39 3hrw h GLN 131 Cb 1.90 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 29.21 3hrw h GLN 131 CO 0.21 -0.11 0.48 0.87 -0.95 0.00 0.00 178.83 179.33 3hrw h LYS 132 N -0.17 0.24 0.21 1.46 1.57 -1.54 0.32 116.57 118.66 3hrw h LYS 132 Ca 0.09 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 3hrw h LYS 132 Cb 0.30 -0.05 0.04 0.00 0.08 0.00 0.00 32.23 32.60 3hrw h LYS 132 CO -0.23 0.16 -1.39 0.28 -0.57 0.00 0.00 179.45 177.70 3hrw h VAL 133 N 0.24 1.29 0.69 0.50 2.07 -0.78 -1.48 116.25 118.78 3hrw h VAL 133 Ca 0.71 -2.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.60 3hrw h VAL 133 Cb 1.64 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 34.33 3hrw h VAL 133 CO -0.65 0.79 -0.48 0.58 0.02 0.00 0.00 177.57 177.82 3hrw h VAL 134 N 0.18 0.05 -0.00 2.57 2.07 0.27 -2.14 116.25 119.26 3hrw h VAL 134 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3hrw h VAL 134 Cb 2.07 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3hrw h VAL 134 CO 0.26 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.89 3hrw h ALA 135 N -0.99 1.07 0.00 1.67 0.00 -0.45 0.85 119.26 121.41 3hrw h ALA 135 Ca -0.09 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hrw h ALA 135 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hrw h ALA 135 CO 0.06 -0.04 -0.50 0.78 0.00 0.00 0.00 179.25 179.54 3hrw h GLY 136 N 0.00 0.00 1.24 0.00 0.00 -1.12 -3.20 103.07 99.99 3hrw h GLY 136 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 3hrw h GLY 136 CO -0.00 0.00 -1.20 -2.08 0.00 0.00 0.00 176.54 173.26 3hrw h VAL 137 N 0.00 1.28 -0.65 4.60 2.07 0.14 -3.19 116.25 120.50 3hrw h VAL 137 Ca -0.02 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 3hrw h VAL 137 Cb 1.32 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 3hrw h VAL 137 CO 0.05 0.74 0.39 0.00 0.02 0.00 0.00 177.57 178.77 3hrw h ALA 138 N 0.33 1.46 -0.07 1.67 0.00 -1.49 -1.43 119.26 119.74 3hrw h ALA 138 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hrw h ALA 138 Cb 1.87 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3hrw h ALA 138 CO 0.23 0.47 0.00 2.41 0.00 0.00 0.00 179.25 182.36 3hrw n THR 139 N -4.40 0.09 -0.02 0.00 -1.04 -1.21 -3.11 114.28 104.59 3hrw n THR 139 Ca 0.06 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 3hrw n THR 139 Cb 0.07 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 3hrw n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hrw n ALA 140 N -0.37 1.90 1.10 2.41 0.00 -0.60 -4.41 120.51 120.54 3hrw n ALA 140 Ca 0.11 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3hrw n ALA 140 Cb 0.12 0.18 0.51 0.00 0.00 0.00 0.00 19.45 20.26 3hrw n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hrw n LEU 141 N -2.17 0.25 -0.55 0.00 4.77 -0.80 -4.02 117.00 114.48 3hrw n LEU 141 Ca -0.06 0.24 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3hrw n LEU 141 Cb 0.62 -0.35 0.16 0.00 -2.33 0.00 0.00 43.42 41.52 3hrw n LEU 141 CO 0.08 0.06 0.63 0.00 -1.33 0.00 0.00 177.39 176.82 3hrw n ALA 142 N -1.38 2.40 0.09 -1.18 0.00 -1.18 -4.50 120.51 114.77 3hrw n ALA 142 Ca 0.08 -1.62 -0.05 0.00 0.00 0.00 0.00 53.44 51.86 3hrw n ALA 142 Cb 0.32 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.32 3hrw n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hrw h HIS 143 N 1.42 0.00 -0.01 0.00 6.17 -1.77 -3.30 115.15 117.66 3hrw h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3hrw h HIS 143 Cb 0.94 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.87 3hrw h HIS 143 CO 0.25 0.84 -0.25 1.63 0.71 0.00 0.00 177.93 181.11 3hrw n LYS 144 N -3.51 0.95 0.32 5.26 4.76 -1.26 -4.16 118.16 120.51 3hrw n LYS 144 Ca -0.00 -0.58 0.17 0.00 -2.87 0.00 0.00 58.31 55.02 3hrw n LYS 144 Cb 0.81 -1.49 0.86 0.00 -1.84 0.00 0.00 35.03 33.38 3hrw n LYS 144 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3hrw h TYR 145 N 1.42 0.00 -0.00 2.13 0.05 -1.85 -3.47 116.97 115.26 3hrw h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hrw h TYR 145 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 3hrw h TYR 145 CO 0.00 0.00 0.00 -2.39 -1.05 0.00 0.00 178.16 174.72