#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5j n ASP 2 N 0.00 0.00 -0.13 1.61 8.00 -1.26 -1.16 116.55 123.62 3k5j n ASP 2 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3k5j n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3k5j n ASP 2 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3k5j h TYR 3 N 0.00 0.57 -0.77 1.24 3.20 -2.02 -1.48 116.97 117.72 3k5j h TYR 3 Ca 0.00 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.84 3k5j h TYR 3 Cb 0.00 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 3k5j h TYR 3 CO 0.00 0.50 0.51 -0.91 -1.64 0.00 0.00 178.16 176.62 3k5j h ASN 4 N 0.48 0.89 -0.19 -2.11 2.35 -1.51 -1.44 115.58 114.04 3k5j h ASN 4 Ca 0.13 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3k5j h ASN 4 Cb 0.16 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3k5j h ASN 4 CO -0.01 0.65 -0.23 -0.61 -1.65 0.00 0.00 177.43 175.58 3k5j h GLN 5 N 1.05 0.65 -0.81 0.81 5.75 -1.73 0.43 115.11 121.25 3k5j h GLN 5 Ca 0.28 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3k5j h GLN 5 Cb -0.11 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 3k5j h GLN 5 CO -0.06 0.82 0.53 1.79 -2.65 0.00 0.00 178.83 179.26 3k5j h THR 6 N 0.57 1.17 -0.06 2.39 1.35 -0.26 0.16 112.91 118.23 3k5j h THR 6 Ca 0.08 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 3k5j h THR 6 Cb 0.70 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 3k5j h THR 6 CO 0.05 0.19 0.02 0.58 -0.25 0.00 0.00 175.52 176.11 3k5j h VAL 7 N 1.06 1.18 -0.70 6.82 2.07 -0.95 -1.64 116.25 124.10 3k5j h VAL 7 Ca 0.31 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3k5j h VAL 7 Cb -0.07 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3k5j h VAL 7 CO -0.09 0.15 0.41 0.25 0.02 0.00 0.00 177.57 178.32 3k5j h LEU 8 N -0.10 0.63 -0.86 2.57 5.85 -0.73 -0.67 115.31 122.00 3k5j h LEU 8 Ca 0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3k5j h LEU 8 Cb 0.23 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3k5j h LEU 8 CO -0.00 0.42 0.35 0.28 -0.34 0.00 0.00 178.44 179.15 3k5j h SER 9 N 0.76 1.09 -0.31 1.25 0.02 -0.84 0.13 113.55 115.65 3k5j h SER 9 Ca 0.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3k5j h SER 9 Cb 0.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3k5j h SER 9 CO -0.16 0.94 0.20 -0.74 -1.14 0.00 0.00 176.83 175.93 3k5j h HIS 10 N 1.17 0.41 -0.48 3.45 -0.00 -0.60 -0.83 115.15 118.27 3k5j h HIS 10 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.52 3k5j h HIS 10 Cb 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3k5j h HIS 10 CO 0.02 0.28 -0.20 -0.07 -0.00 0.00 0.00 177.93 177.96 3k5j h LEU 11 N 0.41 1.01 -0.94 0.26 3.38 -0.75 -2.36 115.31 116.32 3k5j h LEU 11 Ca 0.11 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3k5j h LEU 11 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3k5j h LEU 11 CO -0.02 1.18 -0.11 -0.61 0.09 0.00 0.00 178.44 178.96 3k5j h GLN 12 N 0.84 0.66 -0.13 1.13 5.75 -0.57 -0.44 115.11 122.35 3k5j h GLN 12 Ca 0.11 -0.20 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 3k5j h GLN 12 Cb 0.78 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 3k5j h GLN 12 CO 0.06 0.75 -0.52 0.87 -2.65 0.00 0.00 178.83 177.35 3k5j h LYS 13 N 0.60 0.35 -0.16 1.69 1.57 -1.06 -2.07 116.57 117.50 3k5j h LYS 13 Ca 0.11 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 3k5j h LYS 13 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3k5j h LYS 13 CO 0.03 0.79 -0.36 0.35 -0.57 0.00 0.00 179.45 179.69 3k5j h PHE 14 N 0.28 0.67 -2.64 -1.35 3.57 -1.07 -3.32 116.94 113.07 3k5j h PHE 14 Ca 0.01 -0.25 -0.73 0.00 3.53 0.00 0.00 57.97 60.53 3k5j h PHE 14 Cb 1.01 -0.12 -0.34 0.00 2.79 0.00 0.00 35.95 39.29 3k5j h PHE 14 CO 0.03 0.99 0.23 0.91 -2.23 0.00 0.00 178.31 178.24 3k5j n TRP 15 N -4.32 2.84 0.02 0.41 8.01 -0.20 -4.91 117.44 119.29 3k5j n TRP 15 Ca -0.07 -3.23 0.11 0.00 -1.31 0.00 0.00 57.50 53.01 3k5j n TRP 15 Cb 0.51 -0.98 0.55 0.00 -2.01 0.00 0.00 31.31 29.39 3k5j n TRP 15 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 3k5j h LYS 16 N 4.95 0.26 -0.41 -0.99 6.56 -1.48 -2.22 116.57 123.23 3k5j h LYS 16 Ca 0.20 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.66 3k5j h LYS 16 Cb 0.63 -0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.17 3k5j h LYS 16 CO 1.13 0.17 0.05 0.72 -2.06 0.00 0.00 179.45 179.47 3k5j n HIS 17 N -4.47 1.37 -4.63 -1.35 8.25 -1.26 -4.96 115.22 108.18 3k5j n HIS 17 Ca 0.06 -1.20 -0.30 0.00 -0.26 0.00 0.00 57.72 56.02 3k5j n HIS 17 Cb 0.29 -0.47 -0.13 0.00 1.12 0.00 0.00 29.99 30.81 3k5j n HIS 17 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3k5j s HIS 18 N -3.01 2.47 0.32 4.41 4.02 -0.84 -4.96 115.29 117.71 3k5j s HIS 18 Ca 0.46 -0.31 -0.27 0.00 1.02 0.00 0.00 55.06 55.96 3k5j s HIS 18 Cb 0.39 -1.40 -0.09 0.00 -1.02 0.00 0.00 32.58 30.45 3k5j s HIS 18 CO 0.07 0.26 1.01 -0.51 1.02 0.00 0.00 174.74 176.58 3k5j s ASP 19 N -1.58 7.23 -0.07 1.40 1.01 -1.26 -4.95 116.67 118.45 3k5j s ASP 19 Ca 0.14 2.01 0.01 0.00 0.71 0.00 0.00 52.55 55.43 3k5j s ASP 19 Cb -0.10 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3k5j s ASP 19 CO 0.05 -0.15 -0.09 -0.63 0.21 0.00 0.00 175.17 174.56 3k5j s ILE 20 N -1.44 0.91 -0.07 0.77 1.01 -1.26 -1.29 121.20 119.83 3k5j s ILE 20 Ca 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3k5j s ILE 20 Cb -0.24 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3k5j s ILE 20 CO 0.30 0.32 -0.05 -0.54 0.00 0.00 0.00 174.94 174.97 3k5j s LYS 21 N 1.00 2.80 -0.01 2.79 1.02 -0.16 -4.93 119.74 122.26 3k5j s LYS 21 Ca -0.09 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.39 3k5j s LYS 21 Cb -0.15 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 3k5j s LYS 21 CO -0.00 0.67 0.02 0.20 -0.92 0.00 0.00 175.35 175.32 3k5j s GLY 22 N -0.86 1.91 0.09 -3.33 0.00 -1.26 -0.47 107.32 103.39 3k5j s GLY 22 Ca 0.13 -0.93 0.09 0.00 0.00 0.00 0.00 44.72 44.01 3k5j s GLY 22 CO 0.02 -0.79 -0.24 -1.36 0.00 0.00 0.00 173.10 170.73 3k5j s PHE 23 N -1.10 2.06 0.19 1.90 0.08 -0.11 -5.01 117.98 115.99 3k5j s PHE 23 Ca 0.20 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 3k5j s PHE 23 Cb -0.12 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 3k5j s PHE 23 CO 0.11 0.21 0.09 0.95 -0.10 0.00 0.00 175.22 176.48 3k5j s THR 24 N -0.98 0.20 -0.03 0.64 -4.23 -1.26 -2.85 115.64 107.14 3k5j s THR 24 Ca 0.10 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3k5j s THR 24 Cb -0.10 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3k5j s THR 24 CO 0.04 -0.15 -0.23 0.26 -0.54 0.00 0.00 174.62 174.00 3k5j s TRP 25 N -4.00 2.10 -0.52 3.99 0.51 -1.26 -5.00 118.94 114.76 3k5j s TRP 25 Ca 0.34 -0.46 0.06 0.00 -2.12 0.00 0.00 56.10 53.92 3k5j s TRP 25 Cb 0.07 -1.36 -0.01 0.00 -0.81 0.00 0.00 33.47 31.35 3k5j s TRP 25 CO 0.09 -0.08 0.45 0.25 -0.51 0.00 0.00 176.95 177.15 3k5j n THR 26 N 2.65 0.00 -3.81 2.01 -2.24 -1.26 -4.87 114.28 106.76 3k5j n THR 26 Ca -0.16 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3k5j n THR 26 Cb 0.52 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 3k5j n THR 26 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k5j s LEU 27 N -1.55 1.24 0.00 3.22 2.96 -1.26 -5.00 118.68 118.29 3k5j s LEU 27 Ca 0.05 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3k5j s LEU 27 Cb 0.05 0.79 0.00 0.00 0.50 0.00 0.00 46.19 47.53 3k5j s LEU 27 CO 0.18 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 3k5j n GLY 28 N 2.35 1.41 0.36 7.98 0.00 -1.26 -4.82 105.19 111.22 3k5j n GLY 28 Ca -0.16 -2.19 0.06 0.00 0.00 0.00 0.00 46.02 43.72 3k5j n GLY 28 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k5j h ARG 29 N 0.00 0.88 0.00 1.61 0.11 -2.01 -2.26 114.38 112.71 3k5j h ARG 29 Ca 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 3k5j h ARG 29 Cb 0.00 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 30.88 3k5j h ARG 29 CO 0.00 0.58 -0.01 -0.84 0.10 0.00 0.00 179.97 179.81 3k5j h ILE 30 N 0.91 0.01 -0.96 0.08 -0.00 -1.89 -1.16 117.51 114.50 3k5j h ILE 30 Ca 0.38 -0.75 0.05 0.00 -0.00 0.00 0.00 64.86 64.54 3k5j h ILE 30 Cb 0.31 1.74 -0.06 0.00 -0.00 0.00 0.00 36.82 38.81 3k5j h ILE 30 CO -0.15 0.01 0.63 0.58 -0.00 0.00 0.00 178.15 179.21 3k5j h VAL 31 N 0.00 1.12 0.15 0.16 2.07 -1.67 0.72 116.25 118.80 3k5j h VAL 31 Ca -0.00 -0.40 -0.35 0.00 0.82 0.00 0.00 66.70 66.78 3k5j h VAL 31 Cb 0.74 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3k5j h VAL 31 CO 0.00 0.21 -1.79 -0.33 0.02 0.00 0.00 177.57 175.69 3k5j h GLU 32 N 1.16 0.31 0.02 1.57 3.07 -1.66 -3.37 114.58 115.69 3k5j h GLU 32 Ca 0.40 -0.54 -0.29 0.00 -0.50 0.00 0.00 59.36 58.43 3k5j h GLU 32 Cb 0.09 0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 3k5j h GLU 32 CO -0.14 1.21 -1.66 0.93 -1.40 0.00 0.00 179.01 177.95 3k5j h GLU 33 N 0.09 0.04 -0.98 2.33 5.08 -1.03 -3.41 114.58 116.70 3k5j h GLU 33 Ca -0.35 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.60 3k5j h GLU 33 Cb 2.06 0.03 -0.24 0.00 0.50 0.00 0.00 28.75 31.10 3k5j h GLU 33 CO 0.14 0.65 -0.71 -0.11 -1.00 0.00 0.00 179.01 177.98 3k5j n LEU 34 N -3.14 -1.90 -4.62 1.33 7.94 0.21 -5.00 117.00 111.81 3k5j n LEU 34 Ca -0.17 -3.74 -0.44 0.00 -1.11 0.00 0.00 56.01 50.56 3k5j n LEU 34 Cb 1.04 0.74 -0.01 0.00 0.53 0.00 0.00 43.42 45.72 3k5j n LEU 34 CO 0.45 1.99 0.67 -2.65 -1.11 0.00 0.00 177.39 176.74 3k5j n PRO 35 N 1.94 1.58 -0.94 1.96 -0.02 -0.96 -1.93 135.00 136.63 3k5j n PRO 35 Ca 0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3k5j n PRO 35 Cb 0.57 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3k5j n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k5j n ASP 36 N 1.03 -2.36 -4.69 2.55 8.00 -1.26 -4.67 116.55 115.15 3k5j n ASP 36 Ca 0.08 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 3k5j n ASP 36 Cb 0.34 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.24 3k5j n ASP 36 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k5j n PHE 37 N -2.41 2.25 -4.36 1.24 7.35 -0.81 -4.84 117.46 115.88 3k5j n PHE 37 Ca 0.00 0.52 -0.19 0.00 -0.76 0.00 0.00 57.45 57.03 3k5j n PHE 37 Cb 0.10 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 37.40 3k5j n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3k5j s GLN 38 N -1.53 1.37 -0.04 -4.13 -0.21 -0.08 -4.40 119.66 110.64 3k5j s GLN 38 Ca 0.58 -1.64 0.07 0.00 0.02 0.00 0.00 55.36 54.40 3k5j s GLN 38 Cb -0.59 -1.07 -0.01 0.00 1.00 0.00 0.00 33.01 32.34 3k5j s GLN 38 CO 0.59 0.13 -0.25 0.08 -2.12 0.00 0.00 175.29 173.72 3k5j s VAL 39 N -3.03 2.02 -0.09 1.09 1.01 -1.13 -0.80 120.40 119.46 3k5j s VAL 39 Ca 0.24 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3k5j s VAL 39 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3k5j s VAL 39 CO 0.08 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.34 3k5j s PHE 40 N -0.38 3.03 -0.24 5.22 0.08 0.10 -0.93 117.98 124.86 3k5j s PHE 40 Ca 0.03 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.08 3k5j s PHE 40 Cb -0.12 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3k5j s PHE 40 CO 0.01 0.30 -0.06 -1.14 -0.10 0.00 0.00 175.22 174.24 3k5j s GLN 41 N -0.60 2.91 -0.32 0.44 0.74 0.38 -0.47 119.66 122.74 3k5j s GLN 41 Ca 0.09 -0.93 -0.21 0.00 0.05 0.00 0.00 55.36 54.36 3k5j s GLN 41 Cb -0.12 -2.98 -0.00 0.00 1.10 0.00 0.00 33.01 31.01 3k5j s GLN 41 CO 0.02 -0.37 0.67 0.08 -0.55 0.00 0.00 175.29 175.14 3k5j s VAL 42 N 1.35 4.88 -0.08 1.34 1.01 0.59 -0.99 120.40 128.50 3k5j s VAL 42 Ca 0.01 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.65 3k5j s VAL 42 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3k5j s VAL 42 CO -0.04 -0.23 0.53 -0.63 0.00 0.00 0.00 175.10 174.72 3k5j s ILE 43 N 2.74 5.11 0.59 2.22 1.01 -0.41 -2.39 121.20 130.06 3k5j s ILE 43 Ca 0.27 1.07 -0.19 0.00 0.00 0.00 0.00 60.65 61.80 3k5j s ILE 43 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3k5j s ILE 43 CO 0.13 0.35 1.23 -2.16 0.00 0.00 0.00 174.94 174.49 3k5j s PRO 44 N 0.41 2.99 0.26 2.79 0.04 -1.26 -4.34 135.00 135.89 3k5j s PRO 44 Ca 0.28 1.90 0.22 0.00 0.04 0.00 0.00 61.00 63.44 3k5j s PRO 44 Cb -0.16 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.48 3k5j s PRO 44 CO 0.13 -1.21 1.21 -0.91 0.04 0.00 0.00 177.00 176.26 3k5j h ASN 45 N 0.99 0.00 -5.34 6.66 2.35 -1.91 -3.49 115.58 114.85 3k5j h ASN 45 Ca -0.51 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.12 3k5j h ASN 45 Cb 1.30 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.55 3k5j h ASN 45 CO 0.55 0.09 -0.33 -1.38 -1.65 0.00 0.00 177.43 174.72 3k5j s HIS 46 N -3.25 0.59 0.31 1.19 -3.43 -1.26 -5.05 115.29 104.38 3k5j s HIS 46 Ca 0.02 -0.91 0.38 0.00 -0.80 0.00 0.00 55.06 53.74 3k5j s HIS 46 Cb 0.08 -0.10 1.76 0.00 -1.43 0.00 0.00 32.58 32.89 3k5j s HIS 46 CO 0.76 -0.80 2.13 1.05 -2.00 0.00 0.00 174.74 175.87 3k5j h GLU 47 N 2.46 0.00 -0.10 -0.38 9.09 -2.02 -2.55 114.58 121.08 3k5j h GLU 47 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3k5j h GLU 47 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3k5j h GLU 47 CO 0.45 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 179.26 3k5j n ASP 48 N -3.09 1.25 -4.33 3.06 8.00 -1.26 -4.85 116.55 115.32 3k5j n ASP 48 Ca -0.01 -1.59 -0.25 0.00 0.71 0.00 0.00 54.79 53.65 3k5j n ASP 48 Cb 0.22 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 3k5j n ASP 48 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3k5j s GLU 49 N -1.87 1.26 0.83 -1.24 -1.05 -0.96 -5.14 118.70 110.52 3k5j s GLU 49 Ca 0.33 -1.28 -0.09 0.00 -0.15 0.00 0.00 54.97 53.78 3k5j s GLU 49 Cb 0.17 -1.56 0.15 0.00 -0.44 0.00 0.00 34.13 32.45 3k5j s GLU 49 CO 0.27 0.36 1.16 -1.25 0.95 0.00 0.00 175.26 176.74 3k5j s PRO 50 N -2.15 1.27 -0.13 -4.83 0.04 -1.26 -4.78 135.00 123.16 3k5j s PRO 50 Ca 0.11 -0.63 -0.07 0.00 0.04 0.00 0.00 61.00 60.45 3k5j s PRO 50 Cb -0.09 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3k5j s PRO 50 CO 0.06 -1.87 0.10 -1.58 0.04 0.00 0.00 177.00 173.75 3k5j s TRP 51 N -3.52 3.45 -0.12 0.56 0.52 -0.04 -4.06 118.94 115.74 3k5j s TRP 51 Ca 0.69 0.39 0.03 0.00 0.02 0.00 0.00 56.10 57.22 3k5j s TRP 51 Cb -0.05 -1.96 -0.00 0.00 -1.15 0.00 0.00 33.47 30.31 3k5j s TRP 51 CO 0.49 0.56 -0.21 0.08 0.02 0.00 0.00 176.95 177.88 3k5j s VAL 52 N -0.65 2.27 -0.18 4.03 1.01 -1.01 -0.05 120.40 125.83 3k5j s VAL 52 Ca 0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3k5j s VAL 52 Cb -0.12 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3k5j s VAL 52 CO 0.02 0.55 -0.11 -0.31 0.00 0.00 0.00 175.10 175.25 3k5j s TYR 53 N 0.49 2.86 -0.06 5.22 1.51 -0.19 -0.30 117.35 126.88 3k5j s TYR 53 Ca -0.14 -0.98 0.03 0.00 -1.01 0.00 0.00 57.07 54.97 3k5j s TYR 53 Cb -0.17 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 3k5j s TYR 53 CO 0.05 -0.48 -0.16 0.08 -1.11 0.00 0.00 175.55 173.93 3k5j s VAL 54 N 1.02 1.40 0.64 0.71 1.01 0.39 -0.75 120.40 124.82 3k5j s VAL 54 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 3k5j s VAL 54 Cb -0.15 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3k5j s VAL 54 CO -0.02 0.41 1.07 -0.94 0.00 0.00 0.00 175.10 175.62 3k5j s SER 55 N 0.33 5.47 -0.23 3.32 1.04 -0.11 -0.72 113.70 122.80 3k5j s SER 55 Ca -0.10 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.10 3k5j s SER 55 Cb -0.14 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.57 3k5j s SER 55 CO 0.04 -1.38 0.30 -0.55 0.98 0.00 0.00 173.24 172.62 3k5j s SER 56 N -3.03 0.91 0.00 7.02 0.15 0.02 -4.59 113.70 114.18 3k5j s SER 56 Ca 0.63 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.19 3k5j s SER 56 Cb -0.16 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3k5j s SER 56 CO 0.43 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3k5j n GLY 57 N 5.34 1.28 0.25 9.45 0.00 -1.26 -0.91 105.19 119.34 3k5j n GLY 57 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 3k5j n GLY 57 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k5j h ILE 58 N 0.00 1.18 0.00 -0.61 2.04 -1.91 -3.01 117.51 115.20 3k5j h ILE 58 Ca 0.00 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3k5j h ILE 58 Cb 0.00 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3k5j h ILE 58 CO 0.00 0.25 -0.01 1.23 0.00 0.00 0.00 178.15 179.63 3k5j h GLY 59 N 0.77 0.00 2.00 5.37 0.00 -1.88 -0.39 103.07 108.94 3k5j h GLY 59 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3k5j h GLY 59 CO 0.02 0.00 -0.16 1.46 0.00 0.00 0.00 176.54 177.86 3k5j h GLN 60 N 0.00 0.00 0.00 4.80 4.20 -1.85 -1.65 115.11 120.61 3k5j h GLN 60 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 3k5j h GLN 60 Cb 0.39 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3k5j h GLN 60 CO 0.00 0.16 -1.74 1.19 -0.67 0.00 0.00 178.83 177.77 3k5j n PHE 61 N -3.54 0.00 -0.04 2.96 3.72 -0.77 -4.79 117.46 114.99 3k5j n PHE 61 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3k5j n PHE 61 Cb 0.31 -0.52 -0.16 0.00 -0.94 0.00 0.00 39.48 38.17 3k5j n PHE 61 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3k5j n LEU 62 N -2.64 0.00 0.00 4.37 7.94 -0.23 -5.00 117.00 121.44 3k5j n LEU 62 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3k5j n LEU 62 Cb 0.80 0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.92 3k5j n LEU 62 CO 0.18 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 3k5j n GLY 63 N 1.45 0.77 3.26 -3.96 0.00 -0.62 -5.00 105.19 101.08 3k5j n GLY 63 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3k5j n GLY 63 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k5j s GLN 64 N -0.40 0.81 0.45 1.61 0.00 -1.26 -1.42 119.66 119.44 3k5j s GLN 64 Ca 0.00 -0.47 0.06 0.00 -0.00 0.00 0.00 55.36 54.96 3k5j s GLN 64 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 33.01 33.33 3k5j s GLN 64 CO 0.00 -0.26 0.22 -1.21 0.00 0.00 0.00 175.29 174.04 3k5j s GLU 65 N -2.44 2.25 0.06 9.60 0.41 0.09 -2.73 118.70 125.94 3k5j s GLU 65 Ca -0.06 -1.90 0.04 0.00 -0.41 0.00 0.00 54.97 52.64 3k5j s GLU 65 Cb -0.01 -1.99 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 3k5j s GLU 65 CO -0.03 -0.24 -0.12 -0.06 -0.49 0.00 0.00 175.26 174.33 3k5j s PHE 66 N -2.65 1.04 0.04 1.61 0.08 -1.26 -1.09 117.98 115.75 3k5j s PHE 66 Ca 0.37 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.96 3k5j s PHE 66 Cb 0.02 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 3k5j s PHE 66 CO 0.21 0.01 -0.03 -0.59 -0.10 0.00 0.00 175.22 174.72 3k5j s PHE 67 N -1.27 0.40 -0.09 0.36 -0.12 -0.35 -0.93 117.98 115.98 3k5j s PHE 67 Ca -0.04 -0.77 0.05 0.00 -0.05 0.00 0.00 56.93 56.11 3k5j s PHE 67 Cb -0.10 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 3k5j s PHE 67 CO 0.02 -0.27 -0.24 0.42 -0.05 0.00 0.00 175.22 175.10 3k5j s ILE 68 N -2.57 2.12 -0.30 -4.49 1.01 0.08 -0.76 121.20 116.29 3k5j s ILE 68 Ca -0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 3k5j s ILE 68 Cb -0.02 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3k5j s ILE 68 CO -0.05 0.56 0.17 -0.63 0.00 0.00 0.00 174.94 175.00 3k5j s ILE 69 N 0.14 4.96 -0.05 2.92 1.01 -1.26 -1.02 121.20 127.89 3k5j s ILE 69 Ca -0.13 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3k5j s ILE 69 Cb -0.16 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3k5j s ILE 69 CO 0.07 0.15 -0.21 -0.55 0.00 0.00 0.00 174.94 174.39 3k5j s SER 70 N 1.69 3.42 0.55 3.58 0.15 0.93 -4.86 113.70 119.16 3k5j s SER 70 Ca 0.06 -0.39 0.33 0.00 0.70 0.00 0.00 55.95 56.65 3k5j s SER 70 Cb -0.17 -0.75 1.53 0.00 -1.71 0.00 0.00 66.02 64.92 3k5j s SER 70 CO 0.08 0.29 2.05 1.55 1.20 0.00 0.00 173.24 178.42 3k5j h PRO 71 N 5.73 0.00 -4.02 5.44 0.13 -1.85 -0.06 132.00 137.36 3k5j h PRO 71 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 3k5j h PRO 71 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3k5j h PRO 71 CO 0.49 0.05 -0.46 -0.59 -0.23 0.00 0.00 178.00 177.25 3k5j s PHE 72 N -3.85 0.42 0.16 1.56 -0.12 -1.26 -4.76 117.98 110.13 3k5j s PHE 72 Ca -0.01 -0.84 -0.31 0.00 -0.05 0.00 0.00 56.93 55.72 3k5j s PHE 72 Cb 0.11 -0.20 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 3k5j s PHE 72 CO 0.54 -0.56 1.34 -2.00 -0.05 0.00 0.00 175.22 174.49 3k5j s GLU 73 N -3.94 4.36 -0.28 1.99 2.12 -1.26 -4.80 118.70 116.89 3k5j s GLU 73 Ca 0.12 2.06 -0.20 0.00 0.36 0.00 0.00 54.97 57.31 3k5j s GLU 73 Cb 0.05 -3.22 0.09 0.00 0.26 0.00 0.00 34.13 31.31 3k5j s GLU 73 CO -0.05 -0.34 0.78 -0.08 -0.54 0.00 0.00 175.26 175.03 3k5j s THR 74 N 0.60 0.00 -1.32 -1.70 -1.32 -1.26 -5.01 115.64 105.63 3k5j s THR 74 Ca 0.60 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.24 3k5j s THR 74 Cb -0.36 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 69.86 3k5j s THR 74 CO 0.34 0.00 1.45 -0.81 -2.21 0.00 0.00 174.62 173.40 3k5j n PRO 75 N 3.43 0.16 -0.33 7.08 -0.04 -1.26 -2.88 135.00 141.17 3k5j n PRO 75 Ca -0.17 0.16 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 3k5j n PRO 75 Cb 0.57 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.93 3k5j n PRO 75 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k5j h GLU 76 N 0.00 0.60 -0.00 0.54 5.08 -1.95 -1.27 114.58 117.59 3k5j h GLU 76 Ca 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3k5j h GLU 76 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3k5j h GLU 76 CO 0.00 0.40 -0.67 0.45 -1.00 0.00 0.00 179.01 178.19 3k5j h HIS 77 N 0.62 0.00 -0.37 4.33 3.86 -1.82 -0.39 115.15 121.38 3k5j h HIS 77 Ca 0.57 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.74 3k5j h HIS 77 Cb 1.08 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 3k5j h HIS 77 CO -0.00 0.67 0.08 0.82 0.86 0.00 0.00 177.93 180.36 3k5j h ILE 78 N 0.00 1.23 -0.40 2.45 2.04 -1.47 -1.36 117.51 120.00 3k5j h ILE 78 Ca -0.01 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3k5j h ILE 78 Cb 1.19 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3k5j h ILE 78 CO 0.09 0.27 0.14 -0.33 0.00 0.00 0.00 178.15 178.32 3k5j h GLU 79 N 0.45 0.61 -0.46 2.37 5.08 -1.14 -1.95 114.58 119.54 3k5j h GLU 79 Ca 0.11 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k5j h GLU 79 Cb 0.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3k5j h GLU 79 CO 0.00 0.59 0.27 1.15 -1.00 0.00 0.00 179.01 180.02 3k5j h THR 80 N 0.50 1.15 -0.21 1.13 2.02 -1.02 -2.89 112.91 113.59 3k5j h THR 80 Ca 0.13 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3k5j h THR 80 Cb 0.22 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3k5j h THR 80 CO -0.01 0.15 -0.33 -0.07 0.37 0.00 0.00 175.52 175.63 3k5j h LEU 81 N 0.60 0.45 -1.59 2.58 3.38 -1.05 -0.34 115.31 119.35 3k5j h LEU 81 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k5j h LEU 81 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3k5j h LEU 81 CO -0.03 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3k5j n ALA 82 N -2.49 1.42 0.00 1.53 0.00 -0.75 -0.88 120.51 119.35 3k5j n ALA 82 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3k5j n ALA 82 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3k5j n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k5j n LEU 84 N 0.74 0.00 0.00 0.00 4.77 -0.14 -2.23 117.00 120.15 3k5j n LEU 84 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3k5j n LEU 84 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3k5j n LEU 84 CO 0.00 0.00 0.89 0.00 -1.33 0.00 0.00 177.39 176.95 3k5j h ALA 85 N 0.00 0.10 -0.09 -1.18 0.00 -1.27 0.14 119.26 116.96 3k5j h ALA 85 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k5j h ALA 85 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3k5j h ALA 85 CO 0.00 -0.42 0.02 1.03 0.00 0.00 0.00 179.25 179.88 3k5j h SER 86 N 0.09 0.02 -0.90 0.00 0.87 -1.72 -3.09 113.55 108.82 3k5j h SER 86 Ca 0.04 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3k5j h SER 86 Cb 0.01 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 3k5j h SER 86 CO -0.03 0.02 0.49 0.00 -0.53 0.00 0.00 176.83 176.79 3k5j h ALA 87 N 1.06 1.17 0.00 6.23 0.00 -1.79 -2.82 119.26 123.10 3k5j h ALA 87 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k5j h ALA 87 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3k5j h ALA 87 CO -0.05 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.74 3k5j n SER 88 N -4.33 2.37 0.00 0.00 3.41 0.47 -0.31 113.62 115.23 3k5j n SER 88 Ca 0.10 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 3k5j n SER 88 Cb 0.10 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3k5j n SER 88 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3k5j n HIS 90 N 1.31 0.00 -3.01 7.33 8.25 -1.07 -2.48 115.22 125.55 3k5j n HIS 90 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3k5j n HIS 90 Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 3k5j n HIS 90 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3k5j n TYR 91 N 0.00 1.69 0.01 4.41 4.01 0.57 -4.96 117.16 122.89 3k5j n TYR 91 Ca 0.00 -3.73 0.14 0.00 -0.16 0.00 0.00 57.90 54.15 3k5j n TYR 91 Cb 0.00 -0.42 0.58 0.00 -0.31 0.00 0.00 39.34 39.20 3k5j n TYR 91 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3k5j h PRO 92 N 2.97 0.20 0.00 -0.72 0.13 -1.70 -0.55 132.00 132.34 3k5j h PRO 92 Ca 0.10 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3k5j h PRO 92 Cb 0.84 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3k5j h PRO 92 CO 0.62 0.14 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.06 3k5j h ASP 93 N 0.21 0.00 0.55 1.44 3.32 -1.93 -1.41 116.42 118.61 3k5j h ASP 93 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3k5j h ASP 93 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3k5j h ASP 93 CO -0.04 0.03 -0.11 0.00 -1.72 0.00 0.00 179.24 177.40 3k5j n GLN 94 N -3.44 0.41 -2.49 3.56 6.02 -0.21 -4.17 117.38 117.06 3k5j n GLN 94 Ca -0.02 -0.11 -0.28 0.00 -0.01 0.00 0.00 57.00 56.58 3k5j n GLN 94 Cb 0.14 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.90 3k5j n GLN 94 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3k5j n PHE 95 N -1.20 3.45 -4.44 1.08 3.01 -0.53 -4.73 117.46 114.10 3k5j n PHE 95 Ca 0.12 -3.15 -0.24 0.00 1.01 0.00 0.00 57.45 55.18 3k5j n PHE 95 Cb 0.29 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.42 3k5j n PHE 95 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3k5j s GLN 96 N -3.59 1.74 0.20 -1.08 -1.52 -1.26 -5.03 119.66 109.12 3k5j s GLN 96 Ca 0.48 -1.68 -0.32 0.00 -1.95 0.00 0.00 55.36 51.90 3k5j s GLN 96 Cb 0.39 -1.84 -0.15 0.00 -0.22 0.00 0.00 33.01 31.18 3k5j s GLN 96 CO -0.20 0.35 1.11 1.28 -0.25 0.00 0.00 175.29 177.58 3k5j n LEU 97 N -0.50 1.50 0.00 2.90 4.77 -1.26 -1.61 117.00 122.79 3k5j n LEU 97 Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 3k5j n LEU 97 Cb 0.59 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3k5j n LEU 97 CO 0.37 -1.37 0.00 0.61 -1.33 0.00 0.00 177.39 175.67 3k5j n GLY 98 N 1.86 1.48 3.86 -0.72 0.00 -0.50 -5.03 105.19 106.14 3k5j n GLY 98 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3k5j n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k5j s LYS 99 N -0.28 3.91 0.11 1.61 -0.14 -0.63 -4.84 119.74 119.48 3k5j s LYS 99 Ca 0.00 0.65 -0.03 0.00 -1.36 0.00 0.00 55.97 55.23 3k5j s LYS 99 Cb 0.00 -2.35 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 3k5j s LYS 99 CO 0.00 -0.01 0.31 0.95 -0.76 0.00 0.00 175.35 175.85 3k5j s THR 100 N -2.27 5.26 -0.19 2.17 -4.23 -1.26 -1.18 115.64 113.94 3k5j s THR 100 Ca 0.54 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3k5j s THR 100 Cb -0.10 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.12 3k5j s THR 100 CO 0.25 0.06 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.53 3k5j s VAL 101 N -1.61 2.24 -0.36 2.29 1.01 0.33 -4.98 120.40 119.32 3k5j s VAL 101 Ca 0.39 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 3k5j s VAL 101 Cb -0.12 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3k5j s VAL 101 CO 0.26 0.52 0.95 0.21 0.00 0.00 0.00 175.10 177.04 3k5j s ASN 102 N 1.31 6.73 0.41 3.32 3.84 -1.26 -1.29 114.94 128.00 3k5j s ASN 102 Ca 0.05 0.67 0.22 0.00 0.21 0.00 0.00 52.86 54.02 3k5j s ASN 102 Cb -0.13 -2.48 0.71 0.00 -0.55 0.00 0.00 41.25 38.80 3k5j s ASN 102 CO -0.12 -0.86 1.73 0.40 -2.79 0.00 0.00 177.10 175.47 3k5j h ILE 103 N 5.80 0.55 0.00 -5.21 2.04 -1.43 -3.47 117.51 115.80 3k5j h ILE 103 Ca -0.23 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3k5j h ILE 103 Cb 1.08 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3k5j h ILE 103 CO 0.99 0.25 0.00 0.61 0.00 0.00 0.00 178.15 180.00 3k5j n GLY 104 N 0.45 0.67 3.63 5.37 0.00 -1.26 -4.95 105.19 109.10 3k5j n GLY 104 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k5j n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k5j s ARG 105 N -0.12 0.49 0.51 1.61 1.70 -1.26 -5.15 118.95 116.72 3k5j s ARG 105 Ca 0.00 -0.25 -0.23 0.00 -0.47 0.00 0.00 55.73 54.78 3k5j s ARG 105 Cb 0.00 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3k5j s ARG 105 CO 0.00 -0.22 1.38 -2.14 -1.08 0.00 0.00 175.30 173.24 3k5j s PRO 106 N -2.54 3.33 0.28 3.89 0.02 -1.26 -4.44 135.00 134.28 3k5j s PRO 106 Ca 0.13 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 3k5j s PRO 106 Cb 0.03 -2.39 0.41 0.00 0.02 0.00 0.00 34.50 32.56 3k5j s PRO 106 CO -0.03 -1.06 1.89 0.11 -0.33 0.00 0.00 177.00 177.57 3k5j h TRP 107 N 1.75 0.97 -3.97 6.54 5.08 -1.26 -3.40 115.95 121.67 3k5j h TRP 107 Ca -0.51 -0.03 -0.41 0.00 1.08 0.00 0.00 58.89 59.02 3k5j h TRP 107 Cb 1.29 -0.30 -0.22 0.00 -3.00 0.00 0.00 29.16 26.92 3k5j h TRP 107 CO 0.47 0.70 -0.78 0.14 -1.28 0.00 0.00 178.44 177.70 3k5j s VAL 108 N -5.57 1.06 0.25 0.12 -7.23 -1.26 -4.76 120.40 103.01 3k5j s VAL 108 Ca -0.11 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 3k5j s VAL 108 Cb 0.17 -1.01 0.35 0.00 0.56 0.00 0.00 36.38 36.44 3k5j s VAL 108 CO 0.80 -0.18 1.60 -0.08 -0.31 0.00 0.00 175.10 176.93 3k5j h GLU 109 N 4.48 0.02 -0.00 4.82 4.81 -1.99 -1.16 114.58 125.56 3k5j h GLU 109 Ca -0.40 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3k5j h GLU 109 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3k5j h GLU 109 CO 0.41 0.01 -0.15 1.04 -0.73 0.00 0.00 179.01 179.60 3k5j n GLN 110 N -5.50 0.72 -2.12 1.92 1.13 -1.26 -4.85 117.38 107.42 3k5j n GLN 110 Ca 0.13 -0.30 -0.30 0.00 -1.94 0.00 0.00 57.00 54.60 3k5j n GLN 110 Cb 0.46 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.32 3k5j n GLN 110 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3k5j s SER 111 N -2.48 6.25 0.00 1.08 0.15 -0.44 -4.97 113.70 113.28 3k5j s SER 111 Ca 0.28 1.27 0.24 0.00 0.70 0.00 0.00 55.95 58.43 3k5j s SER 111 Cb 0.20 -2.40 0.32 0.00 -1.71 0.00 0.00 66.02 62.43 3k5j s SER 111 CO 0.49 -0.77 1.30 -1.54 1.20 0.00 0.00 173.24 173.91 3k5j n SER 112 N -2.58 1.75 -4.67 5.45 3.41 -1.26 -4.71 113.62 111.01 3k5j n SER 112 Ca 0.04 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 3k5j n SER 112 Cb 0.54 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3k5j n SER 112 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3k5j s PHE 113 N -2.42 3.42 -0.17 7.33 0.08 -1.26 -4.66 117.98 120.30 3k5j s PHE 113 Ca 0.22 1.36 0.02 0.00 0.12 0.00 0.00 56.93 58.65 3k5j s PHE 113 Cb 0.19 -3.10 0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3k5j s PHE 113 CO 0.52 -0.30 0.93 0.54 -0.10 0.00 0.00 175.22 176.81 3k5j n ARG 114 N 5.45 2.13 -4.12 0.44 1.74 -1.26 -0.78 116.66 120.26 3k5j n ARG 114 Ca 0.07 -1.37 -0.14 0.00 -0.77 0.00 0.00 57.85 55.64 3k5j n ARG 114 Cb 0.48 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 3k5j n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3k5j s HIS 115 N -0.81 0.92 0.08 -1.55 3.76 -1.26 -0.96 115.29 115.47 3k5j s HIS 115 Ca 0.03 -0.56 0.06 0.00 -0.15 0.00 0.00 55.06 54.45 3k5j s HIS 115 Cb 0.02 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 3k5j s HIS 115 CO 0.02 -0.03 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.73 3k5j s PHE 116 N -1.77 2.77 -0.26 1.40 0.08 -0.41 -1.41 117.98 118.38 3k5j s PHE 116 Ca -0.03 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 56.80 3k5j s PHE 116 Cb -0.07 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3k5j s PHE 116 CO 0.00 0.41 0.14 -1.17 -0.10 0.00 0.00 175.22 174.50 3k5j s LEU 117 N -2.00 3.78 -0.24 -0.37 2.96 0.11 -0.52 118.68 122.41 3k5j s LEU 117 Ca 0.20 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 3k5j s LEU 117 Cb -0.11 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3k5j s LEU 117 CO 0.12 -0.03 1.49 -0.63 -1.32 0.00 0.00 176.35 175.98 3k5j s ILE 118 N 1.65 3.87 0.17 6.68 1.01 -0.33 -2.07 121.20 132.18 3k5j s ILE 118 Ca 0.07 0.98 0.07 0.00 0.00 0.00 0.00 60.65 61.77 3k5j s ILE 118 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3k5j s ILE 118 CO 0.08 -0.35 -0.14 -0.55 0.00 0.00 0.00 174.94 173.98 3k5j s SER 119 N 3.64 2.30 0.71 3.58 0.15 0.10 -1.41 113.70 122.77 3k5j s SER 119 Ca 0.66 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 3k5j s SER 119 Cb -0.22 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3k5j s SER 119 CO 0.27 -0.19 1.17 -0.76 1.20 0.00 0.00 173.24 174.92 3k5j s LEU 120 N -3.10 3.33 -1.41 3.45 1.43 -1.26 -0.52 118.68 120.60 3k5j s LEU 120 Ca 0.18 2.22 -0.10 0.00 -1.03 0.00 0.00 54.13 55.41 3k5j s LEU 120 Cb -0.01 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.71 3k5j s LEU 120 CO 0.05 -2.06 2.32 -0.81 0.23 0.00 0.00 176.35 176.08 3k5j n PRO 121 N -2.66 3.71 -0.20 1.29 -0.04 -1.26 -4.53 135.00 131.30 3k5j n PRO 121 Ca 0.12 -3.01 0.15 0.00 -0.04 0.00 0.00 63.50 60.73 3k5j n PRO 121 Cb 0.51 -2.91 0.48 0.00 -0.04 0.00 0.00 33.50 31.54 3k5j n PRO 121 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3k5j h TYR 122 N 5.35 0.57 0.00 0.54 0.05 -1.93 -0.38 116.97 121.17 3k5j h TYR 122 Ca 0.62 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.41 3k5j h TYR 122 Cb 0.47 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 3k5j h TYR 122 CO 1.53 0.21 -0.00 -1.35 -1.05 0.00 0.00 178.16 177.49 3k5j h PRO 123 N 0.48 0.00 0.00 4.88 0.11 -2.02 -3.35 132.00 132.10 3k5j h PRO 123 Ca 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 3k5j h PRO 123 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3k5j h PRO 123 CO -0.15 0.00 -1.05 0.66 -0.21 0.00 0.00 178.00 177.26 3k5j n TYR 124 N -3.10 0.00 -1.92 0.65 4.01 -0.48 -5.15 117.16 111.17 3k5j n TYR 124 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3k5j n TYR 124 Cb 0.23 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3k5j n TYR 124 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k5j n GLY 125 N 3.09 -2.24 0.22 2.72 0.00 -0.28 -4.54 105.19 104.16 3k5j n GLY 125 Ca -0.01 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.40 3k5j n GLY 125 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k5j h GLN 126 N 0.00 0.00 -0.03 1.61 4.15 -1.97 -1.54 115.11 117.33 3k5j h GLN 126 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3k5j h GLN 126 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3k5j h GLN 126 CO 0.00 0.24 -0.16 0.93 -1.93 0.00 0.00 178.83 177.91 3k5j h GLU 127 N 0.00 0.05 0.20 1.69 5.08 -1.90 -2.30 114.58 117.40 3k5j h GLU 127 Ca -0.00 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 3k5j h GLU 127 Cb 0.48 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3k5j h GLU 127 CO 0.03 0.22 -1.70 1.25 -1.00 0.00 0.00 179.01 177.81 3k5j h LEU 128 N 0.05 0.66 -0.59 1.33 5.85 -1.63 -3.40 115.31 117.59 3k5j h LEU 128 Ca 0.01 -0.93 0.11 0.00 0.84 0.00 0.00 57.88 57.92 3k5j h LEU 128 Cb 0.32 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3k5j h LEU 128 CO 0.02 1.77 0.08 -0.08 -0.34 0.00 0.00 178.44 179.89 3k5j h GLU 129 N 0.12 0.19 -5.89 1.25 4.81 -0.75 -3.39 114.58 110.92 3k5j h GLU 129 Ca -0.33 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.32 3k5j h GLU 129 Cb 2.12 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 31.36 3k5j h GLU 129 CO 0.20 0.13 -0.51 0.71 -0.73 0.00 0.00 179.01 178.80 3k5j s TYR 130 N -6.13 2.60 0.00 0.92 1.51 -1.03 -0.53 117.35 114.70 3k5j s TYR 130 Ca -0.13 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 3k5j s TYR 130 Cb 0.18 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 3k5j s TYR 130 CO 0.74 0.22 0.00 -0.25 -1.11 0.00 0.00 175.55 175.15 3k5j n ASP 132 N -1.20 0.00 -1.31 2.29 8.00 -1.26 -4.87 116.55 118.20 3k5j n ASP 132 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 3k5j n ASP 132 Cb 0.65 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.92 3k5j n ASP 132 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k5j n ASN 133 N 0.00 3.37 -3.84 -2.24 3.02 -1.26 -4.91 115.26 109.40 3k5j n ASN 133 Ca 0.00 -2.55 -0.12 0.00 -0.03 0.00 0.00 54.58 51.87 3k5j n ASN 133 Cb 0.00 -0.61 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 3k5j n ASN 133 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k5j s VAL 134 N -1.81 -0.00 0.25 2.41 1.01 -1.26 -4.78 120.40 116.21 3k5j s VAL 134 Ca 0.27 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.35 3k5j s VAL 134 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.44 3k5j s VAL 134 CO 0.07 0.00 0.05 -0.13 0.00 0.00 0.00 175.10 175.09 3k5j s ARG 135 N 0.10 2.47 -0.26 2.72 0.52 -0.51 -4.46 118.95 119.54 3k5j s ARG 135 Ca -0.01 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 3k5j s ARG 135 Cb -0.01 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.22 3k5j s ARG 135 CO -0.00 0.39 -0.10 -0.06 0.02 0.00 0.00 175.30 175.54 3k5j s PHE 136 N -2.20 3.20 0.05 -0.53 0.40 0.31 -0.74 117.98 118.47 3k5j s PHE 136 Ca 0.31 -2.12 0.01 0.00 -0.60 0.00 0.00 56.93 54.53 3k5j s PHE 136 Cb -0.07 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3k5j s PHE 136 CO 0.21 -0.85 0.11 -0.06 0.70 0.00 0.00 175.22 175.33 3k5j s PHE 137 N 1.16 3.29 -0.20 0.36 0.08 -0.25 -4.38 117.98 118.04 3k5j s PHE 137 Ca -0.06 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.98 3k5j s PHE 137 Cb -0.19 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3k5j s PHE 137 CO -0.05 0.55 0.43 -0.46 -0.10 0.00 0.00 175.22 175.59 3k5j s TRP 138 N -1.35 3.38 -0.83 0.36 -0.00 0.32 -1.21 118.94 119.61 3k5j s TRP 138 Ca 0.28 0.67 -0.22 0.00 -0.00 0.00 0.00 56.10 56.83 3k5j s TRP 138 Cb -0.12 -2.57 0.07 0.00 -0.00 0.00 0.00 33.47 30.85 3k5j s TRP 138 CO 0.21 -0.03 1.17 -0.51 -0.00 0.00 0.00 176.95 177.79 3k5j s LEU 139 N 1.39 4.14 -0.30 5.86 1.43 0.06 -0.73 118.68 130.54 3k5j s LEU 139 Ca 0.21 -1.28 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 3k5j s LEU 139 Cb -0.15 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3k5j s LEU 139 CO 0.09 -1.43 0.58 -0.22 0.23 0.00 0.00 176.35 175.59 3k5j s LEU 140 N 4.21 4.15 0.26 1.79 2.96 -0.88 -4.65 118.68 126.52 3k5j s LEU 140 Ca 0.33 0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 54.33 3k5j s LEU 140 Cb -0.08 -2.73 -0.10 0.00 0.50 0.00 0.00 46.19 43.77 3k5j s LEU 140 CO 0.01 -0.42 1.45 -2.84 -1.32 0.00 0.00 176.35 173.23 3k5j s PRO 141 N 2.48 4.25 0.16 0.98 0.02 -1.26 -0.71 135.00 140.93 3k5j s PRO 141 Ca 0.23 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.66 3k5j s PRO 141 Cb -0.15 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3k5j s PRO 141 CO 0.11 -0.43 -0.18 0.96 -0.33 0.00 0.00 177.00 177.13 3k5j s ILE 142 N -0.13 1.80 0.84 2.83 -4.36 -0.50 -4.88 121.20 116.80 3k5j s ILE 142 Ca 0.59 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.96 3k5j s ILE 142 Cb -0.42 -1.83 0.10 0.00 1.25 0.00 0.00 42.46 41.56 3k5j s ILE 142 CO 0.45 -0.31 1.11 0.42 0.24 0.00 0.00 174.94 176.85 3k5j s THR 143 N -2.04 2.63 0.25 8.37 -4.23 -1.26 -4.17 115.64 115.19 3k5j s THR 143 Ca 0.15 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3k5j s THR 143 Cb -0.06 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.90 3k5j s THR 143 CO 0.06 -0.27 1.71 1.56 -0.54 0.00 0.00 174.62 177.14 3k5j h GLN 144 N -1.25 0.68 -0.05 3.99 4.20 -1.98 -1.07 115.11 119.63 3k5j h GLN 144 Ca -0.48 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 57.83 3k5j h GLN 144 Cb 1.29 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3k5j h GLN 144 CO 0.61 0.80 -0.67 1.79 -0.67 0.00 0.00 178.83 180.69 3k5j h THR 145 N 0.61 1.41 -0.74 -0.54 1.35 -1.95 -1.97 112.91 111.08 3k5j h THR 145 Ca 0.10 -2.13 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3k5j h THR 145 Cb 0.61 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.10 3k5j h THR 145 CO 0.04 0.63 0.45 -0.33 -0.25 0.00 0.00 175.52 176.06 3k5j h GLU 146 N 0.17 1.00 -0.55 4.72 5.08 -1.78 -1.05 114.58 122.17 3k5j h GLU 146 Ca -0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3k5j h GLU 146 Cb 1.20 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3k5j h GLU 146 CO 0.10 0.70 0.27 -0.09 -1.00 0.00 0.00 179.01 178.99 3k5j h ARG 147 N 1.01 0.79 -0.71 2.33 1.12 -0.99 -2.77 114.38 115.15 3k5j h ARG 147 Ca 0.26 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 3k5j h ARG 147 Cb -0.04 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 29.74 3k5j h ARG 147 CO -0.05 0.64 0.45 1.25 -3.11 0.00 0.00 179.97 179.15 3k5j h LEU 148 N 0.74 0.84 -1.32 3.80 5.85 -1.12 -1.99 115.31 122.10 3k5j h LEU 148 Ca 0.19 -0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.11 3k5j h LEU 148 Cb 0.11 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 3k5j h LEU 148 CO -0.02 0.63 0.65 0.15 -0.34 0.00 0.00 178.44 179.50 3k5j h PHE 149 N 0.97 0.71 0.00 1.25 3.04 -0.93 -0.91 116.94 121.08 3k5j h PHE 149 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3k5j h PHE 149 Cb -0.07 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.23 3k5j h PHE 149 CO -0.02 0.10 0.00 1.28 -2.02 0.00 0.00 178.31 177.65 3k5j n LEU 150 N -4.64 0.07 0.21 0.59 4.77 -0.75 -2.11 117.00 115.14 3k5j n LEU 150 Ca 0.24 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 3k5j n LEU 150 Cb 0.80 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.83 3k5j n LEU 150 CO 0.25 -0.25 0.77 0.78 -1.33 0.00 0.00 177.39 177.62 3k5j h ASN 151 N 0.00 0.00 0.00 -1.43 2.35 -1.24 -3.33 115.58 111.92 3k5j h ASN 151 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k5j h ASN 151 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3k5j h ASN 151 CO 0.00 0.30 -0.17 0.35 -1.65 0.00 0.00 177.43 176.25 3k5j n THR 152 N -3.65 0.64 -3.89 2.81 -2.24 -0.90 -5.06 114.28 101.99 3k5j n THR 152 Ca -0.01 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 3k5j n THR 152 Cb 0.41 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 3k5j n THR 152 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k5j s HIS 153 N -0.89 0.20 0.59 4.78 3.76 -0.96 -5.13 115.29 117.64 3k5j s HIS 153 Ca 0.08 -0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 54.24 3k5j s HIS 153 Cb 0.07 -0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.62 3k5j s HIS 153 CO 0.01 -0.52 0.99 -1.54 -0.85 0.00 0.00 174.74 172.82 3k5j s SER 154 N -2.86 6.26 0.24 1.40 1.04 -1.26 -4.52 113.70 114.00 3k5j s SER 154 Ca 0.05 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.77 3k5j s SER 154 Cb 0.05 -2.44 0.30 0.00 0.10 0.00 0.00 66.02 64.04 3k5j s SER 154 CO -0.11 -0.80 1.86 0.58 0.98 0.00 0.00 173.24 175.74 3k5j h VAL 155 N -0.15 1.07 -0.94 5.02 2.07 -1.91 -2.31 116.25 119.09 3k5j h VAL 155 Ca -0.45 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3k5j h VAL 155 Cb 1.19 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3k5j h VAL 155 CO 0.62 0.18 0.61 -0.08 0.02 0.00 0.00 177.57 178.92 3k5j h GLU 156 N 0.98 1.14 -0.61 1.57 4.22 -1.99 0.54 114.58 120.43 3k5j h GLU 156 Ca 0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.70 3k5j h GLU 156 Cb 0.12 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3k5j h GLU 156 CO -0.16 0.76 0.27 0.93 -2.18 0.00 0.00 179.01 178.63 3k5j h GLU 157 N 1.18 0.90 -0.51 1.92 5.08 -1.81 -0.73 114.58 120.61 3k5j h GLU 157 Ca 0.38 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3k5j h GLU 157 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3k5j h GLU 157 CO -0.13 0.74 0.12 1.25 -1.00 0.00 0.00 179.01 179.99 3k5j h LEU 158 N 0.84 0.77 -1.38 1.33 5.85 -0.89 -2.25 115.31 119.58 3k5j h LEU 158 Ca 0.21 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3k5j h LEU 158 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3k5j h LEU 158 CO -0.02 0.81 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.47 3k5j h GLU 159 N 0.70 0.30 -0.41 1.25 5.08 -0.65 0.23 114.58 121.08 3k5j h GLU 159 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3k5j h GLU 159 Cb 0.34 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3k5j h GLU 159 CO 0.00 0.40 0.23 1.15 -1.00 0.00 0.00 179.01 179.80 3k5j h THR 160 N 0.29 1.14 -0.90 1.13 2.02 -0.84 -0.75 112.91 115.00 3k5j h THR 160 Ca 0.06 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.91 3k5j h THR 160 Cb 0.34 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3k5j h THR 160 CO 0.02 0.15 0.59 0.11 0.37 0.00 0.00 175.52 176.76 3k5j h LYS 161 N 0.53 1.14 -0.07 6.66 6.56 -0.66 -1.26 116.57 129.48 3k5j h LYS 161 Ca 0.15 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 3k5j h LYS 161 Cb 0.03 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 31.43 3k5j h LYS 161 CO -0.03 0.76 0.02 0.74 -2.06 0.00 0.00 179.45 178.88 3k5j h PHE 162 N 1.18 0.11 -0.70 -1.35 0.04 -0.38 -1.71 116.94 114.12 3k5j h PHE 162 Ca 0.34 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.17 3k5j h PHE 162 Cb -0.06 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 3k5j h PHE 162 CO -0.00 0.27 0.39 -0.44 -0.60 0.00 0.00 178.31 177.93 3k5j h ASP 163 N -0.08 0.58 0.01 2.17 3.32 -0.90 -1.30 116.42 120.22 3k5j h ASP 163 Ca 0.02 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3k5j h ASP 163 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3k5j h ASP 163 CO -0.00 0.37 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.19 3k5j h GLU 164 N 0.72 0.49 0.00 3.56 5.08 -1.06 -2.73 114.58 120.63 3k5j h GLU 164 Ca 0.32 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3k5j h GLU 164 Cb 0.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3k5j h GLU 164 CO -0.19 0.79 -0.37 0.00 -1.00 0.00 0.00 179.01 178.24 3k5j h ALA 165 N 1.19 0.78 -4.35 3.43 0.00 -1.16 -3.48 119.26 115.67 3k5j h ALA 165 Ca 0.04 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 3k5j h ALA 165 Cb 0.84 -0.06 0.11 0.00 0.00 0.00 0.00 17.79 18.68 3k5j h ALA 165 CO 0.07 0.46 -0.49 0.41 0.00 0.00 0.00 179.25 179.70 3k5j n GLY 166 N 1.06 -0.07 3.64 0.00 0.00 -0.51 -4.89 105.19 104.43 3k5j n GLY 166 Ca 0.02 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 3k5j n GLY 166 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k5j n ILE 167 N -3.11 1.45 -3.07 -0.61 -5.35 -1.11 -4.90 119.36 102.67 3k5j n ILE 167 Ca -0.17 -0.36 -0.45 0.00 -0.27 0.00 0.00 62.75 61.50 3k5j n ILE 167 Cb 0.60 -1.27 -0.04 0.00 -1.74 0.00 0.00 39.64 37.20 3k5j n ILE 167 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3k5j s ASP 168 N -0.12 6.32 0.01 7.28 -1.08 -1.26 -4.88 116.67 122.94 3k5j s ASP 168 Ca 0.64 -1.61 0.17 0.00 -0.52 0.00 0.00 52.55 51.23 3k5j s ASP 168 Cb -0.68 -2.32 0.74 0.00 -1.46 0.00 0.00 42.92 39.19 3k5j s ASP 168 CO 0.56 -1.10 1.55 0.00 0.52 0.00 0.00 175.17 176.70 3k5j n TYR 169 N 6.31 0.04 1.25 -5.34 0.18 -1.26 -1.85 117.16 116.49 3k5j n TYR 169 Ca -0.01 0.01 0.13 0.00 1.88 0.00 0.00 57.90 59.92 3k5j n TYR 169 Cb 0.44 -0.52 0.42 0.00 -0.38 0.00 0.00 39.34 39.30 3k5j n TYR 169 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3k5j n LEU 170 N -1.54 0.85 -4.53 -3.48 4.77 -1.26 -4.81 117.00 107.01 3k5j n LEU 170 Ca 0.04 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 3k5j n LEU 170 Cb 0.20 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3k5j n LEU 170 CO 0.16 0.16 0.30 -0.62 -1.33 0.00 0.00 177.39 176.06 3k5j s ASP 171 N -2.55 6.31 0.23 -1.43 2.15 -0.77 -4.59 116.67 116.03 3k5j s ASP 171 Ca 0.24 -0.27 0.19 0.00 0.43 0.00 0.00 52.55 53.14 3k5j s ASP 171 Cb 0.19 -2.29 0.92 0.00 -0.30 0.00 0.00 42.92 41.44 3k5j s ASP 171 CO 0.53 -0.66 1.59 2.30 -0.17 0.00 0.00 175.17 178.76 3k5j n ILE 172 N 5.66 1.05 -1.69 4.11 -5.35 -1.26 -2.32 119.36 119.56 3k5j n ILE 172 Ca -0.03 0.47 0.06 0.00 -0.27 0.00 0.00 62.75 62.97 3k5j n ILE 172 Cb 0.48 -1.42 0.15 0.00 -1.74 0.00 0.00 39.64 37.12 3k5j n ILE 172 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3k5j n ASN 173 N -2.10 1.60 -4.68 7.28 5.15 -1.26 -4.19 115.26 117.06 3k5j n ASN 173 Ca 0.01 -3.32 -0.35 0.00 -0.60 0.00 0.00 54.58 50.31 3k5j n ASN 173 Cb 0.12 -0.45 0.09 0.00 -0.53 0.00 0.00 39.78 39.01 3k5j n ASN 173 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3k5j n ARG 174 N -0.82 0.60 -2.09 1.20 1.85 -0.98 -4.93 116.66 111.50 3k5j n ARG 174 Ca 0.15 0.27 -0.38 0.00 -1.00 0.00 0.00 57.85 56.89 3k5j n ARG 174 Cb 0.77 -2.39 0.01 0.00 -1.05 0.00 0.00 32.46 29.79 3k5j n ARG 174 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3k5j s ALA 175 N -1.77 2.92 0.66 2.89 0.00 -1.26 -5.00 121.76 120.19 3k5j s ALA 175 Ca 0.76 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.63 3k5j s ALA 175 Cb -0.34 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 3k5j s ALA 175 CO 0.47 -0.92 1.25 0.45 0.00 0.00 0.00 175.76 177.01 3k5j s SER 176 N -1.21 4.64 0.00 0.00 0.15 -1.26 -4.95 113.70 111.06 3k5j s SER 176 Ca 0.66 2.48 0.24 0.00 0.70 0.00 0.00 55.95 60.04 3k5j s SER 176 Cb -0.33 -2.60 0.25 0.00 -1.71 0.00 0.00 66.02 61.63 3k5j s SER 176 CO 0.39 -1.97 1.27 0.35 1.20 0.00 0.00 173.24 174.48 3k5j n THR 177 N -2.06 0.00 -4.10 6.45 -2.24 -1.26 -4.96 114.28 106.10 3k5j n THR 177 Ca 0.15 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 3k5j n THR 177 Cb 0.49 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 3k5j n THR 177 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3k5j s VAL 178 N -2.23 0.46 -0.03 2.28 -7.23 -1.26 -4.98 120.40 107.40 3k5j s VAL 178 Ca 0.25 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3k5j s VAL 178 Cb 0.19 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.89 3k5j s VAL 178 CO 0.43 -0.77 0.07 0.86 -0.31 0.00 0.00 175.10 175.37 3k5j s TRP 179 N -3.03 -0.06 0.03 2.82 -0.00 -1.26 -4.84 118.94 112.60 3k5j s TRP 179 Ca 0.03 0.22 0.06 0.00 -0.00 0.00 0.00 56.10 56.41 3k5j s TRP 179 Cb 0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 33.47 33.37 3k5j s TRP 179 CO -0.05 -0.08 -0.19 -0.65 -0.00 0.00 0.00 176.95 175.98 3k5j s GLN 180 N 0.63 1.35 0.00 5.86 -0.21 -1.26 -5.15 119.66 120.89 3k5j s GLN 180 Ca -0.05 -0.83 0.10 0.00 0.02 0.00 0.00 55.36 54.60 3k5j s GLN 180 Cb -0.07 -1.40 0.59 0.00 1.00 0.00 0.00 33.01 33.13 3k5j s GLN 180 CO -0.02 0.36 1.04 0.00 -2.12 0.00 0.00 175.29 174.55