#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj s SER 2 N 0.00 -0.28 0.06 6.43 0.15 -1.26 -5.18 113.70 113.62 1lkj s SER 2 Ca 0.00 -0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.05 1lkj s SER 2 Cb 0.00 0.57 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 1lkj s SER 2 CO 0.00 -1.03 0.52 0.21 1.20 0.00 0.00 173.24 174.14 1lkj s ASN 3 N -2.86 -0.44 0.18 5.45 3.84 -1.26 -5.13 114.94 114.73 1lkj s ASN 3 Ca 0.10 0.13 -0.32 0.00 0.21 0.00 0.00 52.86 52.98 1lkj s ASN 3 Cb -0.03 0.50 -0.11 0.00 -0.55 0.00 0.00 41.25 41.06 1lkj s ASN 3 CO 0.01 -0.75 1.73 -0.76 -2.79 0.00 0.00 177.10 174.54 1lkj s LEU 4 N -2.08 4.38 0.91 3.21 1.43 -1.26 -4.97 118.68 120.30 1lkj s LEU 4 Ca -0.04 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.76 1lkj s LEU 4 Cb -0.00 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.76 1lkj s LEU 4 CO -0.03 -0.96 1.10 0.42 0.23 0.00 0.00 176.35 177.10 1lkj s THR 5 N 1.51 2.48 0.41 5.49 -4.23 -1.26 -4.73 115.64 115.31 1lkj s THR 5 Ca 0.76 0.16 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 1lkj s THR 5 Cb -0.48 -2.71 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1lkj s THR 5 CO 0.33 -0.20 2.04 -0.33 -0.54 0.00 0.00 174.62 175.91 1lkj h GLU 6 N -1.57 0.55 0.00 3.99 5.08 -1.98 -0.76 114.58 119.89 1lkj h GLU 6 Ca -0.51 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1lkj h GLU 6 Cb 1.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lkj h GLU 6 CO 0.57 0.37 -0.00 0.93 -1.00 0.00 0.00 179.01 179.87 1lkj h GLU 7 N 0.57 -0.00 -0.63 2.33 5.08 -1.99 -0.43 114.58 119.50 1lkj h GLU 7 Ca 0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1lkj h GLU 7 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1lkj h GLU 7 CO -0.05 0.26 0.18 1.96 -1.00 0.00 0.00 179.01 180.37 1lkj h GLN 8 N -0.27 0.99 -0.16 2.33 4.20 -1.81 -2.39 115.11 118.00 1lkj h GLN 8 Ca -0.00 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1lkj h GLN 8 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1lkj h GLN 8 CO 0.00 0.89 -0.19 0.82 -0.67 0.00 0.00 178.83 179.68 1lkj h ILE 9 N 0.92 1.21 -0.24 2.54 2.04 -1.08 -2.52 117.51 120.38 1lkj h ILE 9 Ca 0.20 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 1lkj h ILE 9 Cb 0.32 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1lkj h ILE 9 CO -0.00 0.30 -0.38 0.00 0.00 0.00 0.00 178.15 178.07 1lkj h ALA 10 N 1.56 0.89 -0.02 1.87 0.00 -0.63 -2.10 119.26 120.85 1lkj h ALA 10 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1lkj h ALA 10 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lkj h ALA 10 CO 0.03 0.63 -0.00 1.49 0.00 0.00 0.00 179.25 181.40 1lkj h GLU 11 N 0.46 0.03 -0.40 0.00 4.81 -1.03 -2.53 114.58 115.92 1lkj h GLU 11 Ca 0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1lkj h GLU 11 Cb 0.86 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1lkj h GLU 11 CO 0.07 0.38 0.16 0.74 -0.73 0.00 0.00 179.01 179.64 1lkj h PHE 12 N -0.32 0.55 -0.63 0.92 0.04 -1.47 -2.36 116.94 113.67 1lkj h PHE 12 Ca 0.00 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1lkj h PHE 12 Cb 0.37 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1lkj h PHE 12 CO 0.05 0.43 0.22 -0.22 -0.60 0.00 0.00 178.31 178.19 1lkj h LYS 13 N 0.56 0.96 -0.15 1.51 3.64 -1.24 0.38 116.57 122.22 1lkj h LYS 13 Ca 0.14 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lkj h LYS 13 Cb 0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1lkj h LYS 13 CO -0.02 0.83 0.08 0.93 -2.27 0.00 0.00 179.45 179.00 1lkj h GLU 14 N 0.89 0.21 -0.34 1.90 4.39 -0.99 0.16 114.58 120.79 1lkj h GLU 14 Ca 0.21 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1lkj h GLU 14 Cb 0.25 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1lkj h GLU 14 CO -0.01 0.24 -0.16 0.00 -1.16 0.00 0.00 179.01 177.92 1lkj h ALA 15 N 0.96 1.09 0.01 3.43 0.00 -1.34 -2.24 119.26 121.18 1lkj h ALA 15 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lkj h ALA 15 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1lkj h ALA 15 CO -0.01 0.56 -0.01 0.35 0.00 0.00 0.00 179.25 180.15 1lkj h PHE 16 N 0.56 -0.02 0.00 0.00 3.04 -0.61 -2.91 116.94 116.99 1lkj h PHE 16 Ca 0.09 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1lkj h PHE 16 Cb 0.59 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.10 1lkj h PHE 16 CO 0.02 0.35 -0.03 0.00 -2.02 0.00 0.00 178.31 176.63 1lkj h ALA 17 N 0.59 1.74 -0.55 2.41 0.00 -0.91 -1.77 119.26 120.76 1lkj h ALA 17 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1lkj h ALA 17 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1lkj h ALA 17 CO 0.00 0.04 0.25 -0.07 0.00 0.00 0.00 179.25 179.47 1lkj h LEU 18 N 0.00 0.71 -3.58 0.00 3.38 -1.20 -2.38 115.31 112.24 1lkj h LEU 18 Ca -0.00 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1lkj h LEU 18 Cb 0.07 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.49 1lkj h LEU 18 CO 0.00 0.62 0.19 0.49 0.09 0.00 0.00 178.44 179.83 1lkj n PHE 19 N -4.35 1.84 -3.61 1.13 3.01 -0.70 -4.77 117.46 110.01 1lkj n PHE 19 Ca 0.05 -1.47 -0.28 0.00 1.01 0.00 0.00 57.45 56.76 1lkj n PHE 19 Cb 0.14 -0.62 -0.11 0.00 -0.01 0.00 0.00 39.48 38.88 1lkj n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1lkj s ASP 20 N -1.83 2.96 -0.41 4.37 2.15 -0.90 -4.76 116.67 118.25 1lkj s ASP 20 Ca 0.50 -3.17 0.02 0.00 0.43 0.00 0.00 52.55 50.33 1lkj s ASP 20 Cb 0.42 -0.91 0.51 0.00 -0.30 0.00 0.00 42.92 42.65 1lkj s ASP 20 CO 0.07 -0.17 1.82 0.29 -0.17 0.00 0.00 175.17 177.01 1lkj n LYS 21 N 2.78 2.12 -0.21 4.34 4.01 -1.26 -4.22 118.16 125.72 1lkj n LYS 21 Ca 0.22 -2.54 0.08 0.00 -0.51 0.00 0.00 58.31 55.56 1lkj n LYS 21 Cb 0.41 -2.00 0.19 0.00 -0.51 0.00 0.00 35.03 33.12 1lkj n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1lkj n ASP 22 N -0.78 3.16 -2.94 4.39 9.92 -1.26 -4.96 116.55 124.08 1lkj n ASP 22 Ca 0.50 -1.94 -0.19 0.00 -0.53 0.00 0.00 54.79 52.64 1lkj n ASP 22 Cb 1.29 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 41.50 1lkj n ASP 22 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1lkj n ASN 23 N 0.98 -4.17 0.07 -2.24 3.02 -1.26 -4.78 115.26 106.89 1lkj n ASN 23 Ca 0.16 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1lkj n ASN 23 Cb 0.49 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1lkj n ASN 24 N -2.13 0.66 0.00 6.41 4.13 -1.26 -5.08 115.26 117.98 1lkj n ASN 24 Ca -0.08 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1lkj n ASN 24 Cb 0.58 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lkj n GLY 25 N 2.88 0.77 3.11 7.41 0.00 -1.26 -5.10 105.19 112.99 1lkj n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1lkj n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkj s SER 26 N -1.24 -0.26 0.26 1.61 1.04 -1.26 -3.64 113.70 110.22 1lkj s SER 26 Ca 0.00 0.50 0.11 0.00 0.48 0.00 0.00 55.95 57.04 1lkj s SER 26 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1lkj s SER 26 CO 0.00 -0.11 -0.19 0.27 0.98 0.00 0.00 173.24 174.19 1lkj s ILE 27 N 0.47 2.37 0.55 -1.02 -4.36 -0.65 -4.82 121.20 113.74 1lkj s ILE 27 Ca -0.03 -2.36 -0.08 0.00 -0.26 0.00 0.00 60.65 57.92 1lkj s ILE 27 Cb -0.04 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 1lkj s ILE 27 CO -0.02 -0.41 0.90 -0.44 0.24 0.00 0.00 174.94 175.21 1lkj s SER 28 N -3.43 6.24 0.47 4.36 0.01 -1.26 0.08 113.70 120.17 1lkj s SER 28 Ca 0.28 1.16 0.18 0.00 1.31 0.00 0.00 55.95 58.88 1lkj s SER 28 Cb -0.05 -2.35 1.15 0.00 0.21 0.00 0.00 66.02 64.99 1lkj s SER 28 CO 0.14 -0.72 2.03 0.28 0.41 0.00 0.00 173.24 175.38 1lkj h SER 29 N -0.04 0.00 0.10 2.44 0.02 -1.98 -1.84 113.55 112.25 1lkj h SER 29 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1lkj h SER 29 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1lkj h SER 29 CO 0.62 0.15 -0.07 0.28 -1.14 0.00 0.00 176.83 176.66 1lkj h SER 30 N 0.00 0.00 0.25 3.07 0.02 -1.92 -1.76 113.55 113.20 1lkj h SER 30 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lkj h SER 30 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1lkj h SER 30 CO 0.02 0.07 -0.96 -0.62 -1.14 0.00 0.00 176.83 174.20 1lkj n GLU 31 N -4.26 0.14 0.18 3.45 1.02 -0.73 -4.41 120.64 116.03 1lkj n GLU 31 Ca -0.03 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 1lkj n GLU 31 Cb 0.16 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 1lkj n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1lkj h LEU 32 N 0.00 -0.83 -1.59 -4.62 5.85 -0.93 0.16 115.31 113.36 1lkj h LEU 32 Ca 0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1lkj h LEU 32 Cb 0.61 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1lkj h LEU 32 CO 0.00 -0.42 0.34 0.00 -0.34 0.00 0.00 178.44 178.02 1lkj h ALA 33 N -0.01 1.81 -0.30 1.25 0.00 -1.77 -1.71 119.26 118.52 1lkj h ALA 33 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1lkj h ALA 33 Cb 0.57 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1lkj h ALA 33 CO -0.09 0.12 -0.48 1.15 0.00 0.00 0.00 179.25 179.95 1lkj h THR 34 N 0.53 1.28 -0.54 0.00 2.02 -1.55 -2.47 112.91 112.18 1lkj h THR 34 Ca 0.21 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1lkj h THR 34 Cb 0.17 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1lkj h THR 34 CO -0.05 0.54 0.23 0.58 0.37 0.00 0.00 175.52 177.19 1lkj h VAL 35 N 0.64 1.19 -0.11 3.16 2.07 0.20 -2.09 116.25 121.31 1lkj h VAL 35 Ca 0.03 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 66.81 1lkj h VAL 35 Cb 1.06 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1lkj h VAL 35 CO 0.11 0.23 -0.65 0.24 0.02 0.00 0.00 177.57 177.52 1lkj h MET 36 N 0.77 0.41 -0.21 1.57 2.86 -1.33 -2.28 114.93 116.71 1lkj h MET 36 Ca 0.19 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1lkj h MET 36 Cb 0.12 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1lkj h MET 36 CO -0.02 0.92 -0.21 0.00 1.06 0.00 0.00 176.91 178.65 1lkj h ARG 37 N 0.30 0.38 0.03 1.72 3.08 -0.93 -0.45 114.38 118.51 1lkj h ARG 37 Ca -0.01 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 59.69 1lkj h ARG 37 Cb 1.20 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1lkj h ARG 37 CO 0.11 0.58 -1.02 0.77 -1.07 0.00 0.00 179.97 179.35 1lkj h SER 38 N 0.35 0.12 0.79 7.04 0.02 -1.30 -3.19 113.55 117.37 1lkj h SER 38 Ca 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1lkj h SER 38 Cb 0.58 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1lkj h SER 38 CO 0.04 1.05 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.67 1lkj h LEU 39 N 0.03 0.00 0.00 5.07 3.38 -1.15 -3.45 115.31 119.18 1lkj h LEU 39 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lkj h LEU 39 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1lkj h LEU 39 CO 0.14 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1lkj n GLY 40 N -0.19 1.81 3.68 0.83 0.00 -1.09 -5.10 105.19 105.12 1lkj n GLY 40 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1lkj n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 41 N 0.00 2.31 -0.41 0.99 1.43 -0.20 -5.02 118.68 117.78 1lkj s LEU 41 Ca 0.00 -1.61 0.02 0.00 -1.03 0.00 0.00 54.13 51.51 1lkj s LEU 41 Cb 0.00 -0.62 0.26 0.00 0.03 0.00 0.00 46.19 45.86 1lkj s LEU 41 CO 0.00 -0.80 1.07 -0.24 0.23 0.00 0.00 176.35 176.61 1lkj n SER 42 N -1.21 -2.07 -4.75 2.29 2.88 -1.26 -4.20 113.62 105.30 1lkj n SER 42 Ca -0.14 -2.52 -0.41 0.00 -1.33 0.00 0.00 58.87 54.48 1lkj n SER 42 Cb 0.67 1.26 -0.04 0.00 -0.75 0.00 0.00 64.21 65.34 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1lkj s PRO 43 N 0.39 4.55 1.13 -1.46 0.04 -1.26 -5.01 135.00 133.39 1lkj s PRO 43 Ca 0.29 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 1lkj s PRO 43 Cb 0.22 -3.19 0.22 0.00 0.04 0.00 0.00 34.50 31.79 1lkj s PRO 43 CO -0.16 0.06 0.72 0.43 0.04 0.00 0.00 177.00 178.09 1lkj n SER 44 N 1.53 -1.75 0.23 6.66 7.64 -1.26 -4.65 113.62 122.01 1lkj n SER 44 Ca 0.01 -0.07 0.10 0.00 1.01 0.00 0.00 58.87 59.91 1lkj n SER 44 Cb 0.44 -1.20 0.66 0.00 -1.01 0.00 0.00 64.21 63.11 1lkj n SER 44 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1lkj h GLU 45 N -2.40 0.00 -0.28 1.43 4.81 -2.00 -1.84 114.58 114.30 1lkj h GLU 45 Ca -0.57 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.52 1lkj h GLU 45 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1lkj h GLU 45 CO 0.45 0.00 -0.39 0.00 -0.73 0.00 0.00 179.01 178.34 1lkj h ALA 46 N 1.96 0.43 -0.82 2.92 0.00 -2.00 -2.56 119.26 119.18 1lkj h ALA 46 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1lkj h ALA 46 Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1lkj h ALA 46 CO -0.00 0.52 0.42 0.93 0.00 0.00 0.00 179.25 181.12 1lkj h GLU 47 N 0.51 1.17 -0.06 0.00 5.08 -1.65 -2.57 114.58 117.05 1lkj h GLU 47 Ca 0.03 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1lkj h GLU 47 Cb 0.98 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1lkj h GLU 47 CO 0.09 0.88 0.03 0.28 -1.00 0.00 0.00 179.01 179.29 1lkj h VAL 48 N 1.15 1.14 -0.63 3.13 2.07 -1.41 -2.70 116.25 119.00 1lkj h VAL 48 Ca 0.29 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1lkj h VAL 48 Cb 0.08 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1lkj h VAL 48 CO -0.04 0.12 0.18 -1.13 0.02 0.00 0.00 177.57 176.72 1lkj h ASN 49 N -0.05 0.10 -0.41 0.57 -0.73 -1.24 0.21 115.58 114.03 1lkj h ASN 49 Ca 0.02 0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.34 1lkj h ASN 49 Cb 0.16 0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 1lkj h ASN 49 CO -0.00 0.06 0.16 -0.78 -0.37 0.00 0.00 177.43 176.49 1lkj h ASP 50 N 0.33 0.19 0.13 1.15 3.58 -1.29 0.86 116.42 121.37 1lkj h ASP 50 Ca 0.33 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 1lkj h ASP 50 Cb 0.48 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1lkj h ASP 50 CO -0.38 0.15 -0.06 -0.07 -2.88 0.00 0.00 179.24 175.99 1lkj h LEU 51 N 0.33 -0.15 -2.00 2.28 3.38 -0.90 -2.49 115.31 115.76 1lkj h LEU 51 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1lkj h LEU 51 Cb 0.15 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1lkj h LEU 51 CO -0.18 0.14 -0.10 0.24 0.09 0.00 0.00 178.44 178.64 1lkj h MET 52 N -0.46 0.00 -0.41 1.13 2.86 -0.37 -1.89 114.93 115.80 1lkj h MET 52 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1lkj h MET 52 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1lkj h MET 52 CO 0.03 0.10 -0.31 -0.91 1.06 0.00 0.00 176.91 176.88 1lkj h ASN 53 N 0.00 0.95 0.61 1.22 4.21 0.11 0.63 115.58 123.31 1lkj h ASN 53 Ca -0.00 -0.40 -0.18 0.00 1.21 0.00 0.00 56.30 56.93 1lkj h ASN 53 Cb 0.24 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1lkj h ASN 53 CO 0.01 1.18 -0.80 -0.08 -1.29 0.00 0.00 177.43 176.45 1lkj h GLU 54 N 0.76 0.14 0.00 0.81 4.81 -0.97 -3.37 114.58 116.76 1lkj h GLU 54 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1lkj h GLU 54 Cb 0.88 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1lkj h GLU 54 CO 0.08 0.86 -0.16 0.82 -0.73 0.00 0.00 179.01 179.89 1lkj h ILE 55 N 0.08 0.00 -2.38 2.32 2.04 -1.23 -3.45 117.51 114.90 1lkj h ILE 55 Ca -0.03 -0.74 -0.53 0.00 1.00 0.00 0.00 64.86 64.57 1lkj h ILE 55 Cb 1.40 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1lkj h ILE 55 CO 0.12 0.00 1.23 -0.62 0.00 0.00 0.00 178.15 178.88 1lkj s ASP 56 N -4.99 6.45 0.08 1.72 -1.08 0.22 -4.82 116.67 114.24 1lkj s ASP 56 Ca -0.05 2.68 0.00 0.00 -0.52 0.00 0.00 52.55 54.66 1lkj s ASP 56 Cb 0.01 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1lkj s ASP 56 CO 0.07 -1.05 0.00 0.52 0.52 0.00 0.00 175.17 175.22 1lkj n VAL 57 N 5.52 0.91 -1.20 1.11 0.31 -1.26 -4.69 118.33 119.02 1lkj n VAL 57 Ca 0.20 0.30 -0.29 0.00 -0.01 0.00 0.00 64.34 64.54 1lkj n VAL 57 Cb 0.41 -1.42 0.11 0.00 -0.91 0.00 0.00 33.84 32.02 1lkj n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lkj n ASP 58 N -3.24 6.13 0.00 4.52 -0.08 -1.26 -4.89 116.55 117.74 1lkj n ASP 58 Ca 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 54.79 49.66 1lkj n ASP 58 Cb 0.00 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 59 N -0.85 2.64 3.58 0.27 0.00 -1.26 -4.97 105.19 104.59 1lkj n GLY 59 Ca 0.58 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1lkj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkj s ASN 60 N 0.00 4.23 -0.30 1.61 4.22 -1.26 -4.94 114.94 118.50 1lkj s ASN 60 Ca 0.00 -0.72 -0.15 0.00 -2.14 0.00 0.00 52.86 49.85 1lkj s ASN 60 Cb 0.00 -0.68 0.15 0.00 1.28 0.00 0.00 41.25 42.01 1lkj s ASN 60 CO 0.00 0.04 0.93 -2.28 -2.04 0.00 0.00 177.10 173.75 1lkj s HIS 61 N -2.20 -0.75 -0.33 1.54 2.46 -1.26 -4.35 115.29 110.41 1lkj s HIS 61 Ca 0.29 1.34 -0.23 0.00 0.47 0.00 0.00 55.06 56.93 1lkj s HIS 61 Cb -0.07 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 1lkj s HIS 61 CO 0.17 -0.37 0.78 -0.65 -2.47 0.00 0.00 174.74 172.21 1lkj s GLN 62 N 2.19 3.88 0.15 2.88 -0.21 -1.26 -3.59 119.66 123.69 1lkj s GLN 62 Ca -0.05 0.47 -0.30 0.00 0.02 0.00 0.00 55.36 55.50 1lkj s GLN 62 Cb -0.06 -3.76 -0.07 0.00 1.00 0.00 0.00 33.01 30.12 1lkj s GLN 62 CO -0.17 -0.75 0.96 0.42 -2.12 0.00 0.00 175.29 173.63 1lkj s ILE 63 N 3.01 4.36 0.28 1.08 1.01 0.11 -4.81 121.20 126.24 1lkj s ILE 63 Ca 0.32 2.07 0.03 0.00 0.00 0.00 0.00 60.65 63.07 1lkj s ILE 63 Cb -0.14 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1lkj s ILE 63 CO 0.14 0.37 0.43 -1.61 0.00 0.00 0.00 174.94 174.28 1lkj s GLU 64 N -0.36 3.44 0.57 2.79 2.02 -1.26 -1.64 118.70 124.25 1lkj s GLU 64 Ca 0.45 -0.62 0.26 0.00 0.02 0.00 0.00 54.97 55.09 1lkj s GLU 64 Cb -0.24 -2.80 1.56 0.00 0.10 0.00 0.00 34.13 32.74 1lkj s GLU 64 CO 0.31 0.31 2.10 0.35 0.02 0.00 0.00 175.26 178.35 1lkj h PHE 65 N 1.00 0.00 0.50 1.61 3.57 -1.97 0.24 116.94 121.89 1lkj h PHE 65 Ca -0.51 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.97 1lkj h PHE 65 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1lkj h PHE 65 CO 0.47 0.00 -0.24 0.77 -2.23 0.00 0.00 178.31 177.08 1lkj h SER 66 N 0.00 -0.57 0.15 0.41 0.02 -1.93 -1.62 113.55 110.01 1lkj h SER 66 Ca 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1lkj h SER 66 Cb 0.47 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1lkj h SER 66 CO -0.00 -0.21 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.03 1lkj h GLU 67 N -1.06 0.00 -0.15 3.45 5.08 -1.90 -2.62 114.58 117.39 1lkj h GLU 67 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1lkj h GLU 67 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1lkj h GLU 67 CO 0.11 0.12 -0.04 0.35 -1.00 0.00 0.00 179.01 178.55 1lkj h PHE 68 N 0.00 0.32 -0.79 4.33 3.57 -0.94 -2.62 116.94 120.80 1lkj h PHE 68 Ca -0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1lkj h PHE 68 Cb 0.22 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1lkj h PHE 68 CO 0.00 0.56 0.47 -0.07 -2.23 0.00 0.00 178.31 177.04 1lkj h LEU 69 N -0.02 0.96 -0.50 0.59 3.38 -0.94 -2.03 115.31 116.75 1lkj h LEU 69 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lkj h LEU 69 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1lkj h LEU 69 CO 0.01 0.74 0.29 0.00 0.09 0.00 0.00 178.44 179.58 1lkj h ALA 70 N 1.42 0.63 -0.25 1.53 0.00 -1.37 0.17 119.26 121.39 1lkj h ALA 70 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1lkj h ALA 70 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1lkj h ALA 70 CO -0.05 0.13 0.09 -0.07 0.00 0.00 0.00 179.25 179.35 1lkj h LEU 71 N 0.66 0.36 -0.82 0.00 3.38 -1.07 -2.35 115.31 115.47 1lkj h LEU 71 Ca 0.18 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1lkj h LEU 71 Cb 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1lkj h LEU 71 CO -0.03 0.46 0.14 0.24 0.09 0.00 0.00 178.44 179.33 1lkj h MET 72 N 0.25 1.02 -0.44 1.13 2.86 -1.16 -2.16 114.93 116.42 1lkj h MET 72 Ca 0.08 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1lkj h MET 72 Cb 0.22 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1lkj h MET 72 CO -0.00 0.91 0.29 1.03 1.06 0.00 0.00 176.91 180.20 1lkj h SER 73 N 0.97 0.51 0.47 1.22 0.87 -0.42 0.86 113.55 118.03 1lkj h SER 73 Ca 0.20 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 1lkj h SER 73 Cb 0.36 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1lkj h SER 73 CO 0.00 0.38 -0.93 0.08 -0.53 0.00 0.00 176.83 175.83 1lkj h ARG 74 N 0.60 0.30 0.01 2.24 0.11 -0.95 -2.99 114.38 113.71 1lkj h ARG 74 Ca 0.16 -0.33 -0.25 0.00 0.10 0.00 0.00 59.98 59.66 1lkj h ARG 74 Cb -0.06 0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 1lkj h ARG 74 CO -0.03 1.04 -1.31 1.96 0.10 0.00 0.00 179.97 181.73 1lkj h GLN 75 N 0.16 0.03 -1.00 0.08 4.20 -0.75 -3.30 115.11 114.53 1lkj h GLN 75 Ca -0.07 -0.05 -0.47 0.00 0.06 0.00 0.00 58.65 58.13 1lkj h GLN 75 Cb 1.57 0.02 -0.28 0.00 0.30 0.00 0.00 27.48 29.09 1lkj h GLN 75 CO 0.15 0.83 0.60 1.28 -0.67 0.00 0.00 178.83 181.02 1lkj n LEU 76 N -3.25 6.40 -4.74 1.46 4.77 0.29 -4.97 117.00 116.96 1lkj n LEU 76 Ca -0.08 -3.42 -0.41 0.00 -0.03 0.00 0.00 56.01 52.07 1lkj n LEU 76 Cb 0.99 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1lkj n LEU 76 CO 0.47 1.01 0.95 -0.75 -1.33 0.00 0.00 177.39 177.74 1lkj s LYS 77 N -2.98 4.42 -0.50 3.23 2.20 -1.13 -4.88 119.74 120.10 1lkj s LYS 77 Ca 0.51 2.01 -0.27 0.00 -0.36 0.00 0.00 55.97 57.87 1lkj s LYS 77 Cb 0.43 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1lkj s LYS 77 CO 0.10 -0.19 2.42 0.43 -0.36 0.00 0.00 175.35 177.75 1lkj n SER 78 N 2.39 2.26 -1.45 1.43 7.64 -1.26 -4.57 113.62 120.05 1lkj n SER 78 Ca 0.05 -0.40 0.07 0.00 1.01 0.00 0.00 58.87 59.60 1lkj n SER 78 Cb 0.43 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.06 1lkj n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1lkj n ASN 79 N 15.20 -7.83 -0.85 6.43 5.15 -1.26 -4.97 115.26 127.13 1lkj n ASN 79 Ca 0.38 1.63 -0.05 0.00 -0.60 0.00 0.00 54.58 55.95 1lkj n ASN 79 Cb 0.50 -4.79 -0.05 0.00 -0.53 0.00 0.00 39.78 34.92 1lkj n ASN 79 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1lkj n ASP 80 N -3.28 -0.67 -0.16 1.20 2.03 -1.26 -4.95 116.55 109.45 1lkj n ASP 80 Ca -0.04 -1.70 0.02 0.00 0.52 0.00 0.00 54.79 53.59 1lkj n ASP 80 Cb 0.55 0.20 0.29 0.00 -0.72 0.00 0.00 41.12 41.44 1lkj n ASP 80 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1lkj h SER 81 N 0.01 0.76 0.29 1.67 0.87 -1.98 -0.59 113.55 114.58 1lkj h SER 81 Ca -0.39 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1lkj h SER 81 Cb 1.29 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1lkj h SER 81 CO -0.20 0.55 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.43 1lkj h GLU 82 N 0.90 -0.37 -0.90 2.24 4.81 -1.92 -2.23 114.58 117.10 1lkj h GLU 82 Ca 0.25 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1lkj h GLU 82 Cb -0.09 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1lkj h GLU 82 CO -0.05 -0.03 0.55 1.96 -0.73 0.00 0.00 179.01 180.70 1lkj h GLN 83 N -0.89 0.89 -0.31 1.92 4.20 -1.91 -0.38 115.11 118.63 1lkj h GLN 83 Ca -0.04 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1lkj h GLN 83 Cb 0.51 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1lkj h GLN 83 CO 0.06 0.59 -0.05 0.93 -0.67 0.00 0.00 178.83 179.69 1lkj h GLU 84 N 0.92 0.50 -0.06 1.46 5.08 -1.13 -1.36 114.58 119.99 1lkj h GLU 84 Ca 0.43 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1lkj h GLU 84 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1lkj h GLU 84 CO -0.24 0.56 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.25 1lkj h LEU 85 N 0.47 0.11 -0.87 1.33 3.38 -0.45 0.67 115.31 119.94 1lkj h LEU 85 Ca 0.10 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 85 Cb 0.39 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1lkj h LEU 85 CO 0.02 0.46 0.44 -0.07 0.09 0.00 0.00 178.44 179.38 1lkj h LEU 86 N -0.23 1.12 -0.05 1.67 3.38 -1.18 0.46 115.31 120.48 1lkj h LEU 86 Ca 0.01 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 86 Cb 0.41 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1lkj h LEU 86 CO 0.01 0.93 -0.55 -0.08 0.09 0.00 0.00 178.44 178.83 1lkj h GLU 87 N 1.24 0.47 -0.33 1.13 4.57 -1.17 -2.53 114.58 117.96 1lkj h GLU 87 Ca 0.30 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1lkj h GLU 87 Cb 0.08 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1lkj h GLU 87 CO -0.04 1.08 0.19 0.00 -1.18 0.00 0.00 179.01 179.05 1lkj h ALA 88 N 0.40 0.43 -0.72 2.92 0.00 0.54 -2.42 119.26 120.41 1lkj h ALA 88 Ca -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1lkj h ALA 88 Cb 1.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1lkj h ALA 88 CO 0.11 -0.06 0.28 0.74 0.00 0.00 0.00 179.25 180.33 1lkj h PHE 89 N 0.42 1.08 -0.89 0.00 0.04 -0.98 -2.01 116.94 114.61 1lkj h PHE 89 Ca 0.12 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1lkj h PHE 89 Cb 0.04 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 1lkj h PHE 89 CO -0.03 0.82 0.59 -0.22 -0.60 0.00 0.00 178.31 178.87 1lkj h LYS 90 N 1.04 1.17 -0.19 1.51 3.64 -1.08 0.29 116.57 122.95 1lkj h LYS 90 Ca 0.24 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.36 1lkj h LYS 90 Cb 0.20 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1lkj h LYS 90 CO -0.02 0.78 -0.63 0.28 -2.27 0.00 0.00 179.45 177.58 1lkj h VAL 91 N 1.20 1.31 -0.01 2.00 2.07 -1.01 -3.04 116.25 118.77 1lkj h VAL 91 Ca 0.32 -1.88 -0.15 0.00 0.82 0.00 0.00 66.70 65.81 1lkj h VAL 91 Cb -0.14 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1lkj h VAL 91 CO -0.07 0.59 -0.71 -0.26 0.02 0.00 0.00 177.57 177.14 1lkj h PHE 92 N 0.50 0.08 0.00 1.57 -1.00 -0.84 -2.98 116.94 114.28 1lkj h PHE 92 Ca -0.01 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1lkj h PHE 92 Cb 1.22 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 1lkj h PHE 92 CO 0.06 0.75 -0.13 0.22 -1.61 0.00 0.00 178.31 177.60 1lkj h ASP 93 N 0.04 0.00 0.00 2.17 3.58 -0.39 -3.46 116.42 118.37 1lkj h ASP 93 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1lkj h ASP 93 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1lkj h ASP 93 CO 0.10 0.13 0.00 1.17 -2.88 0.00 0.00 179.24 177.76 1lkj n LYS 94 N -3.40 0.00 0.17 0.28 0.00 -1.13 -3.92 118.16 110.15 1lkj n LYS 94 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.16 1lkj n LYS 94 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.28 1lkj n LYS 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1lkj h ASN 95 N 0.00 -0.56 0.00 3.14 -1.24 -1.89 -3.47 115.58 111.56 1lkj h ASN 95 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1lkj h ASN 95 Cb 0.00 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1lkj h ASN 95 CO 0.00 -0.32 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 1lkj n GLY 96 N -1.34 1.63 0.13 1.57 0.00 -1.25 -5.04 105.19 100.89 1lkj n GLY 96 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1lkj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lkj n ASP 97 N 0.00 2.00 0.00 1.61 9.92 -1.26 -5.01 116.55 123.80 1lkj n ASP 97 Ca 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1lkj n ASP 97 Cb 0.00 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 98 N 2.11 1.69 2.71 0.44 0.00 -1.26 -5.04 105.19 105.85 1lkj n GLY 98 Ca -0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N 0.00 0.30 0.08 0.99 1.43 -1.26 -2.92 118.68 117.30 1lkj s LEU 99 Ca 0.00 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1lkj s LEU 99 Cb 0.00 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1lkj s LEU 99 CO 0.00 -0.22 0.08 0.27 0.23 0.00 0.00 176.35 176.71 1lkj s ILE 100 N 1.95 0.17 0.63 -0.59 -4.36 -0.94 -4.88 121.20 113.19 1lkj s ILE 100 Ca 0.02 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 58.76 1lkj s ILE 100 Cb -0.12 -1.50 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1lkj s ILE 100 CO -0.03 -0.78 1.04 -0.44 0.24 0.00 0.00 174.94 174.97 1lkj s SER 101 N -2.91 6.07 0.53 4.36 0.01 -1.25 -0.37 113.70 120.14 1lkj s SER 101 Ca 0.08 1.44 0.26 0.00 1.31 0.00 0.00 55.95 59.04 1lkj s SER 101 Cb 0.06 -2.46 1.39 0.00 0.21 0.00 0.00 66.02 65.23 1lkj s SER 101 CO -0.09 -0.97 1.98 0.00 0.41 0.00 0.00 173.24 174.57 1lkj h ALA 102 N -0.39 2.53 0.69 1.44 0.00 -1.94 -1.77 119.26 119.82 1lkj h ALA 102 Ca -0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1lkj h ALA 102 Cb 1.19 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1lkj h ALA 102 CO 0.61 -0.69 -0.33 0.00 0.00 0.00 0.00 179.25 178.84 1lkj h ALA 103 N 1.71 -0.93 -0.22 0.00 0.00 -1.95 0.95 119.26 118.82 1lkj h ALA 103 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lkj h ALA 103 Cb 1.09 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1lkj h ALA 103 CO -0.01 -0.98 0.07 0.93 0.00 0.00 0.00 179.25 179.26 1lkj h GLU 104 N -1.02 0.30 -0.40 0.00 5.08 -1.79 -2.21 114.58 114.54 1lkj h GLU 104 Ca -0.10 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 1lkj h GLU 104 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1lkj h GLU 104 CO 0.16 0.27 -0.22 1.25 -1.00 0.00 0.00 179.01 179.47 1lkj h LEU 105 N 0.30 0.88 -0.67 1.33 5.85 -1.05 -2.41 115.31 119.55 1lkj h LEU 105 Ca 0.08 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1lkj h LEU 105 Cb 0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1lkj h LEU 105 CO -0.01 1.11 0.21 0.50 -0.34 0.00 0.00 178.44 179.91 1lkj h LYS 106 N 0.66 1.04 -0.27 1.25 1.63 -0.23 -1.84 116.57 118.80 1lkj h LYS 106 Ca 0.09 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 1lkj h LYS 106 Cb 0.79 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1lkj h LYS 106 CO 0.06 0.90 -0.08 1.25 -3.45 0.00 0.00 179.45 178.13 1lkj h HIS 107 N 0.97 0.47 -0.20 1.91 2.76 -1.35 -2.38 115.15 117.33 1lkj h HIS 107 Ca 0.22 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 1lkj h HIS 107 Cb 0.29 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1lkj h HIS 107 CO 0.02 0.53 -0.29 0.28 -1.30 0.00 0.00 177.93 177.17 1lkj h VAL 108 N 0.42 1.33 -0.06 5.26 2.07 -0.99 -2.05 116.25 122.24 1lkj h VAL 108 Ca 0.08 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1lkj h VAL 108 Cb 0.41 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1lkj h VAL 108 CO 0.02 0.46 -0.09 -0.07 0.02 0.00 0.00 177.57 177.91 1lkj h LEU 109 N 0.22 0.07 -0.05 2.57 4.07 -1.14 -1.89 115.31 119.16 1lkj h LEU 109 Ca 0.02 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.75 1lkj h LEU 109 Cb 0.86 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1lkj h LEU 109 CO 0.07 0.18 -1.03 0.74 -1.08 0.00 0.00 178.44 177.31 1lkj h THR 110 N 0.08 1.59 -0.22 0.22 2.02 -1.32 -3.19 112.91 112.09 1lkj h THR 110 Ca 0.02 -3.09 -0.17 0.00 0.77 0.00 0.00 66.41 63.94 1lkj h THR 110 Cb 0.22 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1lkj h THR 110 CO 0.01 0.89 -0.56 -1.28 0.37 0.00 0.00 175.52 174.95 1lkj h SER 111 N 0.05 0.77 0.39 4.18 0.87 -0.76 -2.94 113.55 116.10 1lkj h SER 111 Ca -0.06 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 1lkj h SER 111 Cb 1.75 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 1lkj h SER 111 CO 0.15 1.17 -0.19 0.40 -0.53 0.00 0.00 176.83 177.83 1lkj h ILE 112 N 0.53 0.81 -0.07 2.23 2.04 -1.43 -3.46 117.51 118.15 1lkj h ILE 112 Ca 0.01 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1lkj h ILE 112 Cb 1.13 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1lkj h ILE 112 CO 0.11 0.19 -0.01 0.61 0.00 0.00 0.00 178.15 179.05 1lkj n GLY 113 N -0.61 0.35 3.72 5.37 0.00 -1.11 -5.02 105.19 107.89 1lkj n GLY 113 Ca -0.02 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -3.82 1.77 -1.29 1.61 0.41 -1.23 -4.88 118.70 111.27 1lkj s GLU 114 Ca 0.00 1.52 -0.07 0.00 -0.41 0.00 0.00 54.97 56.01 1lkj s GLU 114 Cb 0.00 -1.81 0.03 0.00 -1.78 0.00 0.00 34.13 30.57 1lkj s GLU 114 CO 0.00 -2.07 2.65 1.17 -0.49 0.00 0.00 175.26 176.52 1lkj n LYS 115 N -3.47 4.04 -4.34 1.61 4.81 -1.26 -4.89 118.16 114.67 1lkj n LYS 115 Ca 0.12 -2.88 -0.18 0.00 -0.87 0.00 0.00 58.31 54.49 1lkj n LYS 115 Cb 0.52 -2.61 -0.15 0.00 0.02 0.00 0.00 35.03 32.80 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1lkj s LEU 116 N -1.34 1.98 0.00 3.14 1.43 -1.26 -5.13 118.68 117.50 1lkj s LEU 116 Ca 0.60 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1lkj s LEU 116 Cb 0.21 -0.44 0.07 0.00 0.03 0.00 0.00 46.19 46.06 1lkj s LEU 116 CO -0.09 0.10 0.62 0.35 0.23 0.00 0.00 176.35 177.56 1lkj n THR 117 N 2.94 0.00 0.14 5.49 -2.24 -1.26 -4.95 114.28 114.40 1lkj n THR 117 Ca -0.14 -1.69 0.04 0.00 -2.27 0.00 0.00 64.05 60.00 1lkj n THR 117 Cb 0.57 -0.50 0.47 0.00 -2.10 0.00 0.00 70.33 68.77 1lkj n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lkj h ASP 118 N 0.17 0.20 -0.22 3.42 3.32 -2.01 -2.51 116.42 118.79 1lkj h ASP 118 Ca -0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1lkj h ASP 118 Cb 1.07 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1lkj h ASP 118 CO 0.35 0.26 0.08 0.00 -1.72 0.00 0.00 179.24 178.22 1lkj h ALA 119 N 1.77 0.28 -0.19 3.45 0.00 -1.99 -0.85 119.26 121.72 1lkj h ALA 119 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1lkj h ALA 119 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1lkj h ALA 119 CO 0.01 -0.11 0.09 0.93 0.00 0.00 0.00 179.25 180.16 1lkj h GLU 120 N 0.19 0.28 0.00 0.00 4.39 -1.86 -2.24 114.58 115.35 1lkj h GLU 120 Ca 0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1lkj h GLU 120 Cb 0.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1lkj h GLU 120 CO -0.00 0.32 -0.07 0.28 -1.16 0.00 0.00 179.01 178.38 1lkj h VAL 121 N 0.18 0.97 -0.13 3.13 2.07 -1.37 -2.36 116.25 118.73 1lkj h VAL 121 Ca 0.07 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1lkj h VAL 121 Cb 0.14 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1lkj h VAL 121 CO -0.01 0.07 -0.01 0.44 0.02 0.00 0.00 177.57 178.09 1lkj h ASP 122 N 0.00 0.24 0.24 0.57 3.32 -0.57 0.45 116.42 120.67 1lkj h ASP 122 Ca -0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1lkj h ASP 122 Cb 0.13 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1lkj h ASP 122 CO 0.01 0.50 -0.19 0.44 -1.72 0.00 0.00 179.24 178.29 1lkj h ASP 123 N -0.04 0.00 0.47 6.45 3.32 -1.08 -2.58 116.42 122.97 1lkj h ASP 123 Ca 0.04 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.80 1lkj h ASP 123 Cb 0.39 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.95 1lkj h ASP 123 CO 0.01 0.19 -1.28 0.24 -1.72 0.00 0.00 179.24 176.67 1lkj h MET 124 N 0.00 0.38 -0.80 3.56 2.86 -1.17 -3.25 114.93 116.51 1lkj h MET 124 Ca -0.00 -0.62 -0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1lkj h MET 124 Cb 0.36 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 1lkj h MET 124 CO 0.02 1.28 0.36 -0.07 1.06 0.00 0.00 176.91 179.56 1lkj h LEU 125 N 0.12 1.06 -1.03 1.22 3.38 -0.53 0.14 115.31 119.68 1lkj h LEU 125 Ca -0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1lkj h LEU 125 Cb 1.99 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 1lkj h LEU 125 CO 0.22 0.92 0.40 -0.09 0.09 0.00 0.00 178.44 179.97 1lkj h ARG 126 N 1.15 1.08 0.17 1.13 2.43 -1.55 0.99 114.38 119.78 1lkj h ARG 126 Ca 0.27 -0.14 -0.30 0.00 -0.81 0.00 0.00 59.98 59.01 1lkj h ARG 126 Cb 0.15 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1lkj h ARG 126 CO -0.03 0.81 -1.34 1.49 -1.51 0.00 0.00 179.97 179.40 1lkj h GLU 127 N 1.08 0.36 0.00 0.20 4.81 -1.49 -3.30 114.58 116.24 1lkj h GLU 127 Ca 0.27 -0.62 -0.13 0.00 -0.13 0.00 0.00 59.36 58.75 1lkj h GLU 127 Cb 0.07 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1lkj h GLU 127 CO -0.04 1.29 -0.67 0.28 -0.73 0.00 0.00 179.01 179.15 1lkj h VAL 128 N 0.10 0.98 -1.60 0.32 2.07 -0.51 -3.43 116.25 114.18 1lkj h VAL 128 Ca -0.18 -2.42 -0.47 0.00 0.82 0.00 0.00 66.70 64.46 1lkj h VAL 128 Cb 2.04 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 34.29 1lkj h VAL 128 CO 0.23 0.56 1.64 -0.24 0.02 0.00 0.00 177.57 179.77 1lkj n SER 129 N -3.22 2.33 -0.03 0.57 2.88 0.34 -4.67 113.62 111.82 1lkj n SER 129 Ca 0.01 -0.48 -0.03 0.00 -1.33 0.00 0.00 58.87 57.04 1lkj n SER 129 Cb 0.78 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.61 1lkj n SER 129 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1lkj n ASP 130 N 15.77 3.39 0.00 -3.46 5.75 -1.26 -4.96 116.55 131.78 1lkj n ASP 130 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1lkj n ASP 130 Cb 0.54 0.73 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkj n GLY 131 N 2.55 -0.00 2.22 6.12 0.00 -1.26 -5.11 105.19 109.71 1lkj n GLY 131 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1lkj n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lkj n SER 132 N 0.00 -4.01 -0.87 1.61 7.64 -1.26 -4.96 113.62 111.77 1lkj n SER 132 Ca 0.00 0.90 0.05 0.00 1.01 0.00 0.00 58.87 60.83 1lkj n SER 132 Cb 0.00 3.73 0.15 0.00 -1.01 0.00 0.00 64.21 67.09 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lkj n GLY 133 N -1.25 3.89 3.06 0.23 0.00 -1.26 -5.00 105.19 104.87 1lkj n GLY 133 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1lkj n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 134 N -2.26 0.21 0.03 1.61 2.02 -1.26 -3.94 118.70 115.11 1lkj s GLU 134 Ca 0.37 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.69 1lkj s GLU 134 Cb 0.37 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 1lkj s GLU 134 CO -0.10 -0.05 -0.08 0.42 0.02 0.00 0.00 175.26 175.46 1lkj s ILE 135 N 0.32 0.62 -0.01 -1.63 1.01 0.50 -4.42 121.20 117.59 1lkj s ILE 135 Ca -0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1lkj s ILE 135 Cb -0.03 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1lkj s ILE 135 CO -0.01 -0.14 0.95 0.20 0.00 0.00 0.00 174.94 175.94 1lkj s ASN 136 N -1.02 7.33 0.58 3.58 -0.87 -1.26 -2.20 114.94 121.07 1lkj s ASN 136 Ca -0.04 1.61 0.36 0.00 -1.57 0.00 0.00 52.86 53.22 1lkj s ASN 136 Cb -0.07 -2.55 1.70 0.00 -0.02 0.00 0.00 41.25 40.30 1lkj s ASN 136 CO 0.00 -0.25 2.11 0.16 -2.57 0.00 0.00 177.10 176.56 1lkj h ILE 137 N 4.80 0.07 -0.21 0.60 3.07 -1.92 -2.66 117.51 121.26 1lkj h ILE 137 Ca -0.41 -0.38 -0.15 0.00 1.55 0.00 0.00 64.86 65.47 1lkj h ILE 137 Cb 1.22 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 1lkj h ILE 137 CO 0.75 0.02 -0.50 1.56 -1.05 0.00 0.00 178.15 178.92 1lkj h GLN 138 N 0.00 0.57 -0.01 0.16 4.20 -1.91 -1.39 115.11 116.72 1lkj h GLN 138 Ca -0.00 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1lkj h GLN 138 Cb 0.35 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1lkj h GLN 138 CO 0.00 0.94 -0.01 1.96 -0.67 0.00 0.00 178.83 181.06 1lkj h GLN 139 N 0.45 0.03 -0.42 1.46 1.08 -1.88 -1.32 115.11 114.50 1lkj h GLN 139 Ca 0.02 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1lkj h GLN 139 Cb 1.04 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1lkj h GLN 139 CO 0.10 0.44 -0.03 0.74 -0.95 0.00 0.00 178.83 179.12 1lkj h PHE 140 N -0.38 0.74 -0.10 2.96 0.04 -1.58 -0.46 116.94 118.15 1lkj h PHE 140 Ca 0.00 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.56 1lkj h PHE 140 Cb 0.43 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1lkj h PHE 140 CO 0.07 0.72 -0.44 0.00 -0.60 0.00 0.00 178.31 178.06 1lkj h ALA 141 N 1.31 1.07 0.12 2.45 0.00 -1.21 -2.69 119.26 120.31 1lkj h ALA 141 Ca 0.13 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 1lkj h ALA 141 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lkj h ALA 141 CO 0.02 0.61 -1.23 0.00 0.00 0.00 0.00 179.25 178.65 1lkj h ALA 142 N 1.35 0.11 -0.55 0.00 0.00 -0.84 -2.86 119.26 116.47 1lkj h ALA 142 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 1lkj h ALA 142 Cb 0.86 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1lkj h ALA 142 CO 0.07 0.99 0.13 -0.07 0.00 0.00 0.00 179.25 180.37 1lkj h LEU 143 N 0.07 0.83 -0.04 0.00 3.38 -1.00 -3.17 115.31 115.37 1lkj h LEU 143 Ca -0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1lkj h LEU 143 Cb 1.96 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1lkj h LEU 143 CO 0.20 0.85 -0.05 -0.07 0.09 0.00 0.00 178.44 179.46 1lkj h LEU 144 N 0.77 0.12 -9.51 1.67 3.38 -1.57 -3.43 115.31 106.75 1lkj h LEU 144 Ca 0.17 -0.51 -0.53 0.00 0.09 0.00 0.00 57.88 57.10 1lkj h LEU 144 Cb 0.34 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1lkj h LEU 144 CO 0.00 0.61 0.59 -0.55 0.09 0.00 0.00 178.44 179.18 1lkj s SER 145 N -5.86 7.03 0.00 -0.43 0.15 -1.08 -5.08 113.70 108.43 1lkj s SER 145 Ca -0.15 2.10 0.20 0.00 0.70 0.00 0.00 55.95 58.79 1lkj s SER 145 Cb 0.03 -2.58 1.18 0.00 -1.71 0.00 0.00 66.02 62.93 1lkj s SER 145 CO 0.70 -0.50 1.57 0.29 1.20 0.00 0.00 173.24 176.50