#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj n SER 2 N 0.00 1.19 -4.05 6.43 2.88 -1.26 -4.91 113.62 113.90 1lkj n SER 2 Ca 0.00 0.24 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1lkj n SER 2 Cb 0.00 -0.66 -0.10 0.00 -0.75 0.00 0.00 64.21 62.70 1lkj n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1lkj s ASN 3 N -5.14 0.44 0.26 -3.46 -0.87 -1.26 -5.12 114.94 99.78 1lkj s ASN 3 Ca -0.17 -0.82 -0.30 0.00 -1.57 0.00 0.00 52.86 50.01 1lkj s ASN 3 Cb 0.02 0.16 -0.10 0.00 -0.02 0.00 0.00 41.25 41.31 1lkj s ASN 3 CO 0.25 -0.48 1.43 -0.76 -2.57 0.00 0.00 177.10 174.96 1lkj s LEU 4 N -2.39 4.39 0.77 0.60 1.43 -1.26 -5.01 118.68 117.20 1lkj s LEU 4 Ca -0.01 2.68 -0.07 0.00 -1.03 0.00 0.00 54.13 55.70 1lkj s LEU 4 Cb 0.01 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.71 1lkj s LEU 4 CO -0.06 -0.69 1.08 0.42 0.23 0.00 0.00 176.35 177.33 1lkj s THR 5 N -0.18 2.18 0.26 5.49 -4.23 -1.26 -4.84 115.64 113.07 1lkj s THR 5 Ca 0.58 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1lkj s THR 5 Cb -0.42 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1lkj s THR 5 CO 0.45 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 176.08 1lkj h GLU 6 N -0.82 1.08 -0.20 3.99 5.08 -1.98 -1.10 114.58 120.62 1lkj h GLU 6 Ca -0.43 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1lkj h GLU 6 Cb 1.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1lkj h GLU 6 CO 0.50 0.82 0.09 0.93 -1.00 0.00 0.00 179.01 180.35 1lkj h GLU 7 N 1.08 0.29 -0.40 2.33 5.08 -1.99 -0.97 114.58 120.00 1lkj h GLU 7 Ca 0.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1lkj h GLU 7 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1lkj h GLU 7 CO -0.04 0.34 0.13 1.96 -1.00 0.00 0.00 179.01 180.40 1lkj h GLN 8 N 0.18 0.62 0.00 2.33 4.20 -1.87 -2.26 115.11 118.31 1lkj h GLN 8 Ca 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1lkj h GLN 8 Cb 0.15 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1lkj h GLN 8 CO -0.01 0.61 -0.10 0.82 -0.67 0.00 0.00 178.83 179.49 1lkj h ILE 9 N 0.50 0.89 -0.26 2.54 2.04 -1.07 -2.27 117.51 119.89 1lkj h ILE 9 Ca 0.13 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 1lkj h ILE 9 Cb 0.25 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1lkj h ILE 9 CO -0.01 0.10 -0.52 0.00 0.00 0.00 0.00 178.15 177.72 1lkj h ALA 10 N 1.90 0.41 -0.14 1.87 0.00 -0.61 -2.29 119.26 120.40 1lkj h ALA 10 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1lkj h ALA 10 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lkj h ALA 10 CO 0.01 0.60 0.03 1.49 0.00 0.00 0.00 179.25 181.38 1lkj h GLU 11 N 0.56 0.23 -1.01 0.00 4.81 -0.99 -2.33 114.58 115.85 1lkj h GLU 11 Ca 0.01 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1lkj h GLU 11 Cb 1.13 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1lkj h GLU 11 CO 0.12 0.41 0.67 0.74 -0.73 0.00 0.00 179.01 180.21 1lkj h PHE 12 N 0.01 1.26 -0.86 0.92 0.04 -1.48 -2.11 116.94 114.72 1lkj h PHE 12 Ca 0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1lkj h PHE 12 Cb 0.29 -0.43 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1lkj h PHE 12 CO 0.02 0.79 0.47 -0.22 -0.60 0.00 0.00 178.31 178.77 1lkj h LYS 13 N 1.36 1.21 0.66 1.51 3.64 -1.23 0.06 116.57 123.77 1lkj h LYS 13 Ca 0.37 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1lkj h LYS 13 Cb -0.15 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.44 1lkj h LYS 13 CO -0.08 0.88 -0.32 0.93 -2.27 0.00 0.00 179.45 178.59 1lkj h GLU 14 N 1.21 -0.86 -0.10 1.90 4.39 -0.83 0.11 114.58 120.40 1lkj h GLU 14 Ca 0.30 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 1lkj h GLU 14 Cb 0.03 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1lkj h GLU 14 CO -0.05 -0.56 -0.05 0.00 -1.16 0.00 0.00 179.01 177.20 1lkj h ALA 15 N -0.60 1.73 -0.09 3.43 0.00 -1.38 -2.36 119.26 119.99 1lkj h ALA 15 Ca -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1lkj h ALA 15 Cb 0.69 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1lkj h ALA 15 CO 0.15 0.20 -0.08 0.35 0.00 0.00 0.00 179.25 179.88 1lkj h PHE 16 N 0.15 0.25 0.00 0.00 3.04 -0.62 -2.99 116.94 116.77 1lkj h PHE 16 Ca 0.04 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1lkj h PHE 16 Cb 0.19 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1lkj h PHE 16 CO 0.00 0.62 -0.05 0.00 -2.02 0.00 0.00 178.31 176.87 1lkj h ALA 17 N 0.59 1.81 0.00 2.41 0.00 -0.49 -1.32 119.26 122.25 1lkj h ALA 17 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lkj h ALA 17 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1lkj h ALA 17 CO 0.02 0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.19 1lkj h LEU 18 N 0.00 0.00 -3.47 0.00 3.38 -1.28 -2.07 115.31 111.87 1lkj h LEU 18 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1lkj h LEU 18 Cb 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.70 1lkj h LEU 18 CO 0.01 0.07 0.04 0.49 0.09 0.00 0.00 178.44 179.14 1lkj n PHE 19 N -4.38 1.45 -4.69 1.13 3.01 -0.51 -4.98 117.46 108.49 1lkj n PHE 19 Ca -0.03 -1.67 -0.32 0.00 1.01 0.00 0.00 57.45 56.45 1lkj n PHE 19 Cb 0.15 -0.58 -0.12 0.00 -0.01 0.00 0.00 39.48 38.92 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 -2.33 4.11 0.00 4.37 2.15 -0.78 -4.66 116.67 119.53 1lkj s ASP 20 Ca 0.47 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1lkj s ASP 20 Cb 0.42 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 1lkj s ASP 20 CO 0.01 0.29 0.00 0.29 -0.17 0.00 0.00 175.17 175.60 1lkj n LYS 21 N 1.82 0.00 -1.28 4.34 4.01 -1.26 -4.96 118.16 120.83 1lkj n LYS 21 Ca -0.16 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.63 1lkj n LYS 21 Cb 0.52 -0.36 0.01 0.00 -0.51 0.00 0.00 35.03 34.69 1lkj n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1lkj n ASP 22 N 0.00 -0.27 0.08 4.39 -0.08 -1.26 -5.05 116.55 114.36 1lkj n ASP 22 Ca 0.00 -0.91 0.00 0.00 -1.51 0.00 0.00 54.79 52.37 1lkj n ASP 22 Cb 0.00 0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.57 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1lkj n ASN 23 N -0.19 -1.01 -4.52 1.67 2.85 -1.26 -5.10 115.26 107.69 1lkj n ASN 23 Ca -0.05 0.29 -0.34 0.00 -0.11 0.00 0.00 54.58 54.37 1lkj n ASN 23 Cb 0.48 1.15 -0.12 0.00 1.24 0.00 0.00 39.78 42.54 1lkj n ASN 23 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1lkj s ASN 24 N -2.66 5.07 -1.12 1.20 -0.87 -1.26 -5.01 114.94 110.29 1lkj s ASN 24 Ca 0.00 -0.09 -0.23 0.00 -1.57 0.00 0.00 52.86 50.96 1lkj s ASN 24 Cb 0.00 -1.86 -0.10 0.00 -0.02 0.00 0.00 41.25 39.28 1lkj s ASN 24 CO 0.00 0.13 1.97 -0.83 -2.57 0.00 0.00 177.10 175.80 1lkj s GLY 25 N 0.62 -0.00 -0.07 0.66 0.00 -1.26 -4.69 107.32 102.58 1lkj s GLY 25 Ca 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 1lkj s GLY 25 CO 0.02 3.64 0.17 -1.35 0.00 0.00 0.00 173.10 175.59 1lkj s SER 26 N 7.06 -0.17 0.20 1.64 1.04 -1.26 -3.05 113.70 119.15 1lkj s SER 26 Ca 0.71 0.35 0.09 0.00 0.48 0.00 0.00 55.95 57.57 1lkj s SER 26 Cb -0.02 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1lkj s SER 26 CO 0.12 -0.08 -0.17 0.27 0.98 0.00 0.00 173.24 174.35 1lkj s ILE 27 N 0.40 1.85 0.59 -1.02 -4.36 -0.51 -4.70 121.20 113.44 1lkj s ILE 27 Ca -0.03 -2.11 -0.13 0.00 -0.26 0.00 0.00 60.65 58.13 1lkj s ILE 27 Cb -0.04 -1.99 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 1lkj s ILE 27 CO -0.02 -0.46 1.02 -0.44 0.24 0.00 0.00 174.94 175.28 1lkj s SER 28 N -3.06 6.35 0.42 4.36 0.01 -1.26 0.53 113.70 121.05 1lkj s SER 28 Ca 0.20 1.47 0.10 0.00 1.31 0.00 0.00 55.95 59.04 1lkj s SER 28 Cb -0.03 -2.48 0.91 0.00 0.21 0.00 0.00 66.02 64.62 1lkj s SER 28 CO 0.08 -0.78 2.00 0.28 0.41 0.00 0.00 173.24 175.23 1lkj h SER 29 N 0.07 0.24 -0.00 2.44 0.02 -1.93 -1.75 113.55 112.64 1lkj h SER 29 Ca -0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1lkj h SER 29 Cb 1.19 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1lkj h SER 29 CO 0.62 0.29 -0.05 -1.28 -1.14 0.00 0.00 176.83 175.26 1lkj h SER 30 N 0.26 0.13 1.64 3.07 0.87 -1.92 -1.68 113.55 115.92 1lkj h SER 30 Ca 0.06 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1lkj h SER 30 Cb 0.18 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1lkj h SER 30 CO 0.00 0.21 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.82 1lkj h GLU 31 N 0.15 0.00 -0.25 2.24 5.08 -1.70 -3.35 114.58 116.74 1lkj h GLU 31 Ca 0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1lkj h GLU 31 Cb 0.19 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1lkj h GLU 31 CO 0.01 0.02 -0.12 1.25 -1.00 0.00 0.00 179.01 179.17 1lkj h LEU 32 N 0.00 -0.41 -0.99 1.33 5.85 -1.01 0.43 115.31 120.50 1lkj h LEU 32 Ca -0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1lkj h LEU 32 Cb 1.02 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1lkj h LEU 32 CO 0.00 -0.16 0.56 0.00 -0.34 0.00 0.00 178.44 178.50 1lkj h ALA 33 N 1.12 1.25 -0.42 1.25 0.00 -1.69 -1.77 119.26 118.99 1lkj h ALA 33 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 33 Cb 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 33 CO -0.31 0.65 -0.28 1.15 0.00 0.00 0.00 179.25 180.45 1lkj h THR 34 N 1.27 1.27 -0.68 0.00 2.02 -1.42 -2.27 112.91 113.11 1lkj h THR 34 Ca 0.33 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 1lkj h THR 34 Cb -0.06 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1lkj h THR 34 CO -0.06 0.49 0.27 0.58 0.37 0.00 0.00 175.52 177.17 1lkj h VAL 35 N 0.76 1.23 -0.01 3.16 2.07 0.34 -2.07 116.25 121.74 1lkj h VAL 35 Ca 0.09 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1lkj h VAL 35 Cb 0.85 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1lkj h VAL 35 CO 0.07 0.29 -0.57 0.24 0.02 0.00 0.00 177.57 177.63 1lkj h MET 36 N 0.98 0.02 -0.36 1.57 2.86 -1.17 -1.82 114.93 117.00 1lkj h MET 36 Ca 0.23 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1lkj h MET 36 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1lkj h MET 36 CO -0.02 0.58 -0.22 0.00 1.06 0.00 0.00 176.91 178.31 1lkj h ARG 37 N 0.01 0.70 0.07 1.72 3.08 -0.79 -0.70 114.38 118.48 1lkj h ARG 37 Ca -0.01 -0.27 -0.25 0.00 0.07 0.00 0.00 59.98 59.53 1lkj h ARG 37 Cb 1.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1lkj h ARG 37 CO 0.07 0.86 -1.15 0.77 -1.07 0.00 0.00 179.97 179.45 1lkj h SER 38 N 0.62 0.24 0.19 7.04 0.02 -1.31 -3.22 113.55 117.12 1lkj h SER 38 Ca 0.09 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1lkj h SER 38 Cb 0.70 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1lkj h SER 38 CO 0.05 1.21 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.82 1lkj h LEU 39 N 0.04 0.00 0.00 5.07 3.38 -1.21 -3.45 115.31 119.15 1lkj h LEU 39 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lkj h LEU 39 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1lkj h LEU 39 CO 0.17 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1lkj n GLY 40 N -1.00 1.66 3.77 0.83 0.00 -1.12 -5.10 105.19 104.23 1lkj n GLY 40 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 2.22 -0.41 0.99 1.43 -0.28 -5.04 118.68 117.58 1lkj s LEU 41 Ca 0.00 -1.69 0.03 0.00 -1.03 0.00 0.00 54.13 51.44 1lkj s LEU 41 Cb 0.00 -0.69 0.27 0.00 0.03 0.00 0.00 46.19 45.80 1lkj s LEU 41 CO 0.00 -0.90 1.08 -1.54 0.23 0.00 0.00 176.35 175.23 1lkj n SER 42 N -1.30 -2.11 -4.75 2.29 3.41 -1.26 -4.43 113.62 105.47 1lkj n SER 42 Ca -0.20 -2.66 -0.41 0.00 -0.26 0.00 0.00 58.87 55.35 1lkj n SER 42 Cb 0.67 1.37 -0.04 0.00 -0.26 0.00 0.00 64.21 65.95 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lkj s PRO 43 N 0.38 4.57 1.27 4.33 0.04 -1.26 -5.03 135.00 139.31 1lkj s PRO 43 Ca 0.28 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1lkj s PRO 43 Cb 0.23 -3.23 0.31 0.00 0.04 0.00 0.00 34.50 31.86 1lkj s PRO 43 CO -0.16 0.07 1.02 0.45 0.04 0.00 0.00 177.00 178.42 1lkj s SER 44 N -0.34 0.26 0.51 6.66 0.15 -1.26 -4.65 113.70 115.03 1lkj s SER 44 Ca 0.49 0.91 0.18 0.00 0.70 0.00 0.00 55.95 58.23 1lkj s SER 44 Cb -0.32 -1.33 1.27 0.00 -1.71 0.00 0.00 66.02 63.93 1lkj s SER 44 CO 0.38 -4.56 2.11 -0.08 1.20 0.00 0.00 173.24 172.29 1lkj h GLU 45 N -2.87 0.00 -0.30 5.44 4.22 -1.99 -1.91 114.58 117.17 1lkj h GLU 45 Ca -0.48 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 58.84 1lkj h GLU 45 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1lkj h GLU 45 CO 0.37 0.07 -0.28 0.00 -2.18 0.00 0.00 179.01 176.99 1lkj h ALA 46 N 1.93 0.43 -0.21 2.92 0.00 -2.00 -1.69 119.26 120.64 1lkj h ALA 46 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1lkj h ALA 46 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1lkj h ALA 46 CO 0.01 0.44 -0.36 0.93 0.00 0.00 0.00 179.25 180.27 1lkj h GLU 47 N 0.46 0.45 -0.38 0.00 5.08 -1.74 -2.55 114.58 115.91 1lkj h GLU 47 Ca 0.05 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1lkj h GLU 47 Cb 0.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1lkj h GLU 47 CO 0.07 0.75 -0.35 0.28 -1.00 0.00 0.00 179.01 178.77 1lkj h VAL 48 N 0.38 1.28 -0.51 3.13 2.07 -1.28 -2.74 116.25 118.57 1lkj h VAL 48 Ca 0.04 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 1lkj h VAL 48 Cb 0.82 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1lkj h VAL 48 CO 0.07 0.51 0.10 -1.13 0.02 0.00 0.00 177.57 177.13 1lkj h ASN 49 N 0.72 0.75 -0.10 0.57 -1.24 -1.18 -0.59 115.58 114.51 1lkj h ASN 49 Ca 0.06 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1lkj h ASN 49 Cb 0.94 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 1lkj h ASN 49 CO 0.09 0.75 0.03 -0.78 -1.29 0.00 0.00 177.43 176.23 1lkj h ASP 50 N 0.77 0.14 -0.42 1.15 3.58 -1.33 0.36 116.42 120.66 1lkj h ASP 50 Ca 0.17 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1lkj h ASP 50 Cb 0.32 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1lkj h ASP 50 CO 0.00 0.30 0.08 -0.07 -2.88 0.00 0.00 179.24 176.66 1lkj h LEU 51 N -0.03 0.66 -1.29 2.28 4.07 -1.30 -2.45 115.31 117.24 1lkj h LEU 51 Ca 0.03 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.67 1lkj h LEU 51 Cb 0.21 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1lkj h LEU 51 CO -0.00 0.74 -0.30 0.24 -1.08 0.00 0.00 178.44 178.05 1lkj h MET 52 N 0.54 0.00 -0.33 1.13 2.86 -1.01 -2.36 114.93 115.77 1lkj h MET 52 Ca 0.13 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.63 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 0.01 0.30 -0.37 -0.91 1.06 0.00 0.00 176.91 177.00 1lkj h ASN 53 N 0.00 0.81 0.99 1.22 4.21 0.15 0.85 115.58 123.82 1lkj h ASN 53 Ca -0.00 -0.35 -0.15 0.00 1.21 0.00 0.00 56.30 57.00 1lkj h ASN 53 Cb 0.68 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1lkj h ASN 53 CO 0.04 1.09 -0.70 -0.08 -1.29 0.00 0.00 177.43 176.48 1lkj h GLU 54 N 0.63 0.00 0.00 0.81 4.57 -1.21 -3.38 114.58 116.00 1lkj h GLU 54 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1lkj h GLU 54 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1lkj h GLU 54 CO 0.08 0.70 -0.53 -0.89 -1.18 0.00 0.00 179.01 177.20 1lkj n ILE 55 N -3.46 1.09 -1.58 2.32 5.41 -0.91 -4.81 119.36 117.42 1lkj n ILE 55 Ca 0.00 0.27 -0.39 0.00 1.00 0.00 0.00 62.75 63.62 1lkj n ILE 55 Cb 0.75 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 1lkj n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1lkj s ASP 56 N -5.28 4.89 -0.24 4.38 2.15 0.29 -4.76 116.67 118.11 1lkj s ASP 56 Ca -0.15 1.44 -0.18 0.00 0.43 0.00 0.00 52.55 54.09 1lkj s ASP 56 Cb 0.02 -2.51 -0.15 0.00 -0.30 0.00 0.00 42.92 39.99 1lkj s ASP 56 CO 0.23 -2.47 -0.08 0.52 -0.17 0.00 0.00 175.17 173.20 1lkj n VAL 57 N 7.89 1.53 0.00 1.11 0.31 -1.26 -4.65 118.33 123.26 1lkj n VAL 57 Ca 0.34 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 1lkj n VAL 57 Cb 0.50 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 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 -4.36 0.98 0.12 4.52 2.03 -1.26 -5.05 116.55 113.52 1lkj n ASP 58 Ca -0.40 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1lkj n ASP 58 Cb 0.75 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 59 N 2.81 -0.56 3.12 0.27 0.00 -1.26 -5.10 105.19 104.48 1lkj n GLY 59 Ca -0.03 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1lkj n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lkj s ASN 60 N -4.18 2.56 -0.11 1.61 2.47 -1.26 -4.98 114.94 111.05 1lkj s ASN 60 Ca 0.00 -0.46 0.01 0.00 0.42 0.00 0.00 52.86 52.83 1lkj s ASN 60 Cb 0.00 -1.17 0.02 0.00 -1.45 0.00 0.00 41.25 38.65 1lkj s ASN 60 CO 0.00 0.09 -0.12 -2.28 -3.72 0.00 0.00 177.10 171.07 1lkj s HIS 61 N 0.60 1.73 -0.26 0.43 5.65 -1.26 -4.88 115.29 117.29 1lkj s HIS 61 Ca -0.14 -0.82 -0.29 0.00 0.25 0.00 0.00 55.06 54.05 1lkj s HIS 61 Cb -0.17 -1.31 0.01 0.00 -1.18 0.00 0.00 32.58 29.94 1lkj s HIS 61 CO 0.05 -0.48 1.05 -0.65 -0.65 0.00 0.00 174.74 174.06 1lkj s GLN 62 N 1.24 4.20 -0.23 2.88 -0.21 -1.26 -3.09 119.66 123.19 1lkj s GLN 62 Ca -0.03 1.27 -0.19 0.00 0.02 0.00 0.00 55.36 56.44 1lkj s GLN 62 Cb -0.14 -3.67 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 1lkj s GLN 62 CO -0.04 -0.72 0.55 0.42 -2.12 0.00 0.00 175.29 173.38 1lkj s ILE 63 N 3.34 5.07 0.53 1.08 1.01 0.19 -4.82 121.20 127.60 1lkj s ILE 63 Ca 0.44 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 62.01 1lkj s ILE 63 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1lkj s ILE 63 CO 0.09 0.12 0.87 -1.61 0.00 0.00 0.00 174.94 174.41 1lkj s GLU 64 N 2.00 3.54 0.41 2.79 2.02 -1.26 -1.43 118.70 126.77 1lkj s GLU 64 Ca 0.24 0.38 0.12 0.00 0.02 0.00 0.00 54.97 55.73 1lkj s GLU 64 Cb -0.16 -2.27 0.95 0.00 0.10 0.00 0.00 34.13 32.76 1lkj s GLU 64 CO 0.09 -0.35 1.98 0.35 0.02 0.00 0.00 175.26 177.35 1lkj h PHE 65 N 0.03 0.52 0.72 1.61 3.57 -1.96 0.37 116.94 121.80 1lkj h PHE 65 Ca -0.46 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1lkj h PHE 65 Cb 1.20 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.78 1lkj h PHE 65 CO 0.61 0.26 -0.35 0.66 -2.23 0.00 0.00 178.31 177.26 1lkj h SER 66 N 0.50 -0.82 -0.02 0.41 4.64 -1.92 -1.11 113.55 115.24 1lkj h SER 66 Ca 0.28 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1lkj h SER 66 Cb 0.45 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1lkj h SER 66 CO -0.08 -0.53 -0.06 -0.33 -0.87 0.00 0.00 176.83 174.96 1lkj h GLU 67 N -1.06 0.20 -0.12 4.77 5.08 -1.85 -2.64 114.58 118.96 1lkj h GLU 67 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1lkj h GLU 67 Cb 0.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1lkj h GLU 67 CO 0.16 0.27 0.05 0.35 -1.00 0.00 0.00 179.01 178.84 1lkj h PHE 68 N 0.19 0.17 -0.87 4.33 3.57 -0.67 -0.61 116.94 123.07 1lkj h PHE 68 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1lkj h PHE 68 Cb 0.24 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1lkj h PHE 68 CO 0.00 0.26 0.57 -0.07 -2.23 0.00 0.00 178.31 176.85 1lkj h LEU 69 N 0.03 1.00 -0.49 0.59 3.38 -0.88 -1.05 115.31 117.89 1lkj h LEU 69 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1lkj h LEU 69 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1lkj h LEU 69 CO -0.00 0.73 -0.00 0.00 0.09 0.00 0.00 178.44 179.26 1lkj h ALA 70 N 1.45 0.66 -0.33 1.53 0.00 -1.17 -1.59 119.26 119.81 1lkj h ALA 70 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1lkj h ALA 70 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1lkj h ALA 70 CO -0.07 0.47 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 1lkj h LEU 71 N 0.73 0.45 -1.46 0.00 3.38 -0.48 -2.29 115.31 115.64 1lkj h LEU 71 Ca 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1lkj h LEU 71 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1lkj h LEU 71 CO 0.03 0.48 0.08 0.24 0.09 0.00 0.00 178.44 179.35 1lkj h MET 72 N 0.39 0.43 -0.54 1.13 2.86 -1.10 -2.25 114.93 115.86 1lkj h MET 72 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1lkj h MET 72 Cb 0.16 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1lkj h MET 72 CO -0.01 0.40 0.31 0.77 1.06 0.00 0.00 176.91 179.44 1lkj h SER 73 N 0.43 0.66 -0.67 1.22 0.02 -0.74 0.73 113.55 115.20 1lkj h SER 73 Ca 0.10 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1lkj h SER 73 Cb 0.17 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1lkj h SER 73 CO -0.00 0.55 0.21 0.08 -1.14 0.00 0.00 176.83 176.52 1lkj h ARG 74 N 0.72 1.06 -0.12 3.45 0.11 -1.04 -2.35 114.38 116.22 1lkj h ARG 74 Ca 0.19 -0.22 -0.15 0.00 0.10 0.00 0.00 59.98 59.90 1lkj h ARG 74 Cb 0.02 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 30.95 1lkj h ARG 74 CO -0.03 0.91 -0.52 1.96 0.10 0.00 0.00 179.97 182.39 1lkj h GLN 75 N 1.02 0.57 -1.78 0.08 1.08 -0.96 -3.21 115.11 111.91 1lkj h GLN 75 Ca 0.22 -0.45 -0.51 0.00 -1.45 0.00 0.00 58.65 56.47 1lkj h GLN 75 Cb 0.30 0.09 -0.19 0.00 -0.05 0.00 0.00 27.48 27.63 1lkj h GLN 75 CO -0.01 1.07 0.53 1.28 -0.95 0.00 0.00 178.83 180.76 1lkj n LEU 76 N -4.20 6.73 0.00 1.46 4.77 0.25 -4.95 117.00 121.05 1lkj n LEU 76 Ca -0.08 -3.99 0.00 0.00 -0.03 0.00 0.00 56.01 51.91 1lkj n LEU 76 Cb 0.61 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1lkj n LEU 76 CO 0.47 1.58 0.00 1.17 -1.33 0.00 0.00 177.39 179.28 1lkj n LYS 77 N 0.38 1.20 -1.58 3.23 3.00 -0.90 -4.60 118.16 118.90 1lkj n LYS 77 Ca 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.64 1lkj n LYS 77 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.49 1lkj n LYS 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1lkj s SER 78 N -1.92 3.86 -0.50 3.14 0.01 -1.26 -4.72 113.70 112.31 1lkj s SER 78 Ca 0.00 -0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 1lkj s SER 78 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1lkj s SER 78 CO 0.00 -3.94 0.67 0.21 0.41 0.00 0.00 173.24 170.59 1lkj s ASN 79 N 10.66 6.25 0.00 2.44 3.84 -1.26 -4.87 114.94 132.00 1lkj s ASN 79 Ca 0.91 -0.76 0.24 0.00 0.21 0.00 0.00 52.86 53.46 1lkj s ASN 79 Cb -0.12 -2.31 0.19 0.00 -0.55 0.00 0.00 41.25 38.45 1lkj s ASN 79 CO 0.08 -0.92 1.21 -0.90 -2.79 0.00 0.00 177.10 173.78 1lkj n ASP 80 N 6.36 1.74 0.00 -4.21 5.75 -1.26 -4.24 116.55 120.69 1lkj n ASP 80 Ca -0.05 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1lkj n ASP 80 Cb 0.46 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 1lkj n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1lkj n SER 81 N -0.23 0.00 0.09 -1.12 2.88 -1.26 0.10 113.62 114.09 1lkj n SER 81 Ca 0.10 0.98 0.05 0.00 -1.33 0.00 0.00 58.87 58.67 1lkj n SER 81 Cb 0.43 -0.48 0.50 0.00 -0.75 0.00 0.00 64.21 63.92 1lkj n SER 81 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1lkj h GLU 82 N 0.00 0.35 -0.32 -1.46 9.09 -1.86 -2.13 114.58 118.24 1lkj h GLU 82 Ca 0.00 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.23 1lkj h GLU 82 Cb 0.00 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 1lkj h GLU 82 CO 0.00 0.23 -0.41 1.96 0.05 0.00 0.00 179.01 180.84 1lkj h GLN 83 N 0.36 0.85 -0.98 1.06 4.20 -1.71 -2.75 115.11 116.13 1lkj h GLN 83 Ca 0.10 -0.48 0.01 0.00 0.06 0.00 0.00 58.65 58.33 1lkj h GLN 83 Cb -0.04 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1lkj h GLN 83 CO -0.02 1.12 0.64 0.93 -0.67 0.00 0.00 178.83 180.84 1lkj h GLU 84 N 0.64 1.29 0.12 1.46 4.39 0.14 0.25 114.58 122.87 1lkj h GLU 84 Ca 0.04 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1lkj h GLU 84 Cb 1.01 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1lkj h GLU 84 CO 0.10 0.86 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.68 1lkj h LEU 85 N 1.33 -0.14 -1.49 1.33 3.38 -1.40 0.43 115.31 118.75 1lkj h LEU 85 Ca 0.36 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1lkj h LEU 85 Cb -0.15 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1lkj h LEU 85 CO -0.08 0.05 -0.26 -0.07 0.09 0.00 0.00 178.44 178.18 1lkj h LEU 86 N -0.33 0.00 0.03 1.67 3.38 -1.21 -1.70 115.31 117.16 1lkj h LEU 86 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1lkj h LEU 86 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1lkj h LEU 86 CO 0.03 0.26 -0.76 -0.08 0.09 0.00 0.00 178.44 177.97 1lkj h GLU 87 N 0.00 0.47 -0.12 1.13 4.22 -0.14 -2.40 114.58 117.74 1lkj h GLU 87 Ca -0.00 -0.54 -0.01 0.00 0.08 0.00 0.00 59.36 58.88 1lkj h GLU 87 Cb 0.46 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1lkj h GLU 87 CO 0.03 1.19 0.03 0.00 -2.18 0.00 0.00 179.01 178.08 1lkj h ALA 88 N 0.30 0.16 -0.65 2.92 0.00 0.06 -2.20 119.26 119.85 1lkj h ALA 88 Ca -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1lkj h ALA 88 Cb 1.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1lkj h ALA 88 CO 0.15 -0.21 0.26 0.74 0.00 0.00 0.00 179.25 180.19 1lkj h PHE 89 N 0.00 0.97 -0.60 0.00 0.04 -1.42 -2.24 116.94 113.69 1lkj h PHE 89 Ca 0.04 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1lkj h PHE 89 Cb 0.24 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1lkj h PHE 89 CO 0.00 0.74 0.32 0.87 -0.60 0.00 0.00 178.31 179.64 1lkj h LYS 90 N 0.94 0.84 -0.40 1.51 1.57 -1.23 0.12 116.57 119.91 1lkj h LYS 90 Ca 0.22 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1lkj h LYS 90 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1lkj h LYS 90 CO -0.02 0.65 -0.05 0.28 -0.57 0.00 0.00 179.45 179.74 1lkj h VAL 91 N 0.81 1.23 -0.05 0.50 2.07 -1.04 -2.77 116.25 116.99 1lkj h VAL 91 Ca 0.21 -1.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.53 1lkj h VAL 91 Cb 0.06 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1lkj h VAL 91 CO -0.03 0.34 -0.82 -0.26 0.02 0.00 0.00 177.57 176.82 1lkj h PHE 92 N 0.62 0.62 0.00 1.57 -1.00 -0.92 -3.07 116.94 114.75 1lkj h PHE 92 Ca 0.12 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 1lkj h PHE 92 Cb 0.46 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1lkj h PHE 92 CO 0.02 1.09 -0.09 0.22 -1.61 0.00 0.00 178.31 177.93 1lkj h ASP 93 N 0.28 0.00 0.00 2.17 3.58 -0.51 -3.45 116.42 118.49 1lkj h ASP 93 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1lkj h ASP 93 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1lkj h ASP 93 CO 0.14 0.09 0.00 1.17 -2.88 0.00 0.00 179.24 177.77 1lkj n LYS 94 N -4.07 0.00 0.10 0.28 3.00 -1.08 -4.22 118.16 112.17 1lkj n LYS 94 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 1lkj n LYS 94 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.15 1lkj n LYS 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1lkj h ASN 95 N 0.00 -0.89 0.00 3.14 2.35 -1.87 -3.47 115.58 114.84 1lkj h ASN 95 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1lkj h ASN 95 Cb 0.00 0.34 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1lkj h ASN 95 CO 0.00 -0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.00 1lkj n GLY 96 N -1.41 1.62 0.37 2.83 0.00 -1.26 -5.01 105.19 102.33 1lkj n GLY 96 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1lkj n GLY 96 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lkj h ASP 97 N 0.30 -0.98 0.00 1.61 3.58 -1.90 -3.48 116.42 115.56 1lkj h ASP 97 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1lkj h ASP 97 Cb 0.00 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1lkj h ASP 97 CO 0.00 -0.50 0.00 0.61 -2.88 0.00 0.00 179.24 176.47 1lkj n GLY 98 N -1.42 0.21 2.84 -0.78 0.00 -1.26 -5.01 105.19 99.78 1lkj n GLY 98 Ca -0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 0.40 0.05 0.99 1.43 -1.26 -2.32 118.68 117.97 1lkj s LEU 99 Ca 0.00 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1lkj s LEU 99 Cb 0.00 0.22 -0.04 0.00 0.03 0.00 0.00 46.19 46.40 1lkj s LEU 99 CO 0.00 -0.19 -0.03 0.27 0.23 0.00 0.00 176.35 176.63 1lkj s ILE 100 N 1.69 0.22 0.63 -0.59 -4.36 -0.58 -4.75 121.20 113.46 1lkj s ILE 100 Ca -0.03 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 58.44 1lkj s ILE 100 Cb -0.12 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1lkj s ILE 100 CO -0.05 -0.99 1.04 -0.55 0.24 0.00 0.00 174.94 174.62 1lkj s SER 101 N -2.92 6.17 0.56 4.36 0.15 -1.26 -0.36 113.70 120.39 1lkj s SER 101 Ca 0.07 1.40 0.29 0.00 0.70 0.00 0.00 55.95 58.41 1lkj s SER 101 Cb 0.08 -2.43 1.46 0.00 -1.71 0.00 0.00 66.02 63.43 1lkj s SER 101 CO -0.10 -0.91 1.93 0.00 1.20 0.00 0.00 173.24 175.36 1lkj h ALA 102 N -0.35 2.47 0.23 5.45 0.00 -1.95 -1.46 119.26 123.65 1lkj h ALA 102 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1lkj h ALA 102 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1lkj h ALA 102 CO 0.62 -0.81 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 1lkj h ALA 103 N 1.58 -0.31 -0.75 0.00 0.00 -1.93 -1.90 119.26 115.94 1lkj h ALA 103 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1lkj h ALA 103 Cb 1.28 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1lkj h ALA 103 CO -0.00 -0.52 0.43 0.93 0.00 0.00 0.00 179.25 180.09 1lkj h GLU 104 N -0.62 1.03 -0.60 0.00 5.08 -1.66 -1.80 114.58 116.02 1lkj h GLU 104 Ca -0.03 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1lkj h GLU 104 Cb 0.44 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1lkj h GLU 104 CO 0.05 0.74 0.26 1.25 -1.00 0.00 0.00 179.01 180.32 1lkj h LEU 105 N 1.05 0.78 -0.21 1.33 5.85 -1.29 -1.13 115.31 121.68 1lkj h LEU 105 Ca 0.27 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1lkj h LEU 105 Cb -0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1lkj h LEU 105 CO -0.05 0.68 -0.40 0.50 -0.34 0.00 0.00 178.44 178.84 1lkj h LYS 106 N 0.85 0.64 0.00 1.25 3.64 -0.59 -1.51 116.57 120.86 1lkj h LYS 106 Ca 0.21 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1lkj h LYS 106 Cb 0.13 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1lkj h LYS 106 CO -0.02 1.03 -0.25 1.25 -2.27 0.00 0.00 179.45 179.18 1lkj h HIS 107 N 0.33 0.00 0.11 1.91 2.76 -1.06 -2.45 115.15 116.76 1lkj h HIS 107 Ca 0.01 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 1lkj h HIS 107 Cb 1.00 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.97 1lkj h HIS 107 CO 0.09 0.25 -0.64 0.28 -1.30 0.00 0.00 177.93 176.60 1lkj h VAL 108 N 0.00 1.57 0.00 5.26 2.07 -1.11 -2.94 116.25 121.11 1lkj h VAL 108 Ca -0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.02 1lkj h VAL 108 Cb 0.49 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1lkj h VAL 108 CO 0.03 0.70 -0.01 -0.07 0.02 0.00 0.00 177.57 178.24 1lkj h LEU 109 N -0.50 0.00 -0.10 2.57 4.07 -1.17 -0.42 115.31 119.76 1lkj h LEU 109 Ca -0.11 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.63 1lkj h LEU 109 Cb 1.51 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 1lkj h LEU 109 CO 0.12 0.01 -1.00 0.74 -1.08 0.00 0.00 178.44 177.22 1lkj h THR 110 N 0.00 1.56 0.05 0.22 2.02 -1.51 -3.21 112.91 112.04 1lkj h THR 110 Ca -0.00 -2.96 -0.26 0.00 0.77 0.00 0.00 66.41 63.96 1lkj h THR 110 Cb 0.01 2.70 0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1lkj h THR 110 CO 0.00 0.86 -1.09 0.28 0.37 0.00 0.00 175.52 175.94 1lkj h SER 111 N 0.07 0.68 0.14 4.18 0.02 -1.13 -3.17 113.55 114.34 1lkj h SER 111 Ca -0.06 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 1lkj h SER 111 Cb 1.70 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 1lkj h SER 111 CO 0.15 1.41 -0.06 0.40 -1.14 0.00 0.00 176.83 177.59 1lkj h ILE 112 N 0.25 0.65 -1.12 3.27 2.04 -1.19 -3.46 117.51 117.96 1lkj h ILE 112 Ca -0.13 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1lkj h ILE 112 Cb 1.75 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1lkj h ILE 112 CO 0.20 0.06 -0.03 0.61 0.00 0.00 0.00 178.15 178.98 1lkj n GLY 113 N -1.10 0.81 0.00 5.37 0.00 -1.20 -4.93 105.19 104.15 1lkj n GLY 113 Ca -0.03 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.45 1lkj n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lkj n GLU 114 N -0.78 0.28 -3.77 1.61 -0.58 -1.23 -4.89 120.64 111.28 1lkj n GLU 114 Ca -0.00 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 1lkj n GLU 114 Cb 0.50 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.91 1lkj n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1lkj n LYS 115 N -1.32 -5.64 -3.85 3.49 0.00 -1.26 -4.95 118.16 104.63 1lkj n LYS 115 Ca 0.10 0.65 -0.36 0.00 0.00 0.00 0.00 58.31 58.70 1lkj n LYS 115 Cb 0.20 -5.44 -0.11 0.00 0.00 0.00 0.00 35.03 29.68 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1lkj s LEU 116 N -7.01 3.67 0.94 3.14 1.43 -1.26 -5.09 118.68 114.49 1lkj s LEU 116 Ca 0.37 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1lkj s LEU 116 Cb -0.18 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.23 1lkj s LEU 116 CO 0.81 0.05 1.09 0.42 0.23 0.00 0.00 176.35 178.95 1lkj s THR 117 N 1.11 2.39 0.49 5.49 -4.23 -1.26 -4.86 115.64 114.78 1lkj s THR 117 Ca 0.05 0.13 0.21 0.00 -1.18 0.00 0.00 61.69 60.90 1lkj s THR 117 Cb -0.14 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.32 1lkj s THR 117 CO 0.04 -0.17 2.10 -0.78 -0.54 0.00 0.00 174.62 175.27 1lkj h ASP 118 N -1.67 0.00 -0.21 3.99 3.58 -1.99 -2.65 116.42 117.47 1lkj h ASP 118 Ca -0.52 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 1lkj h ASP 118 Cb 1.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1lkj h ASP 118 CO 0.56 0.09 0.11 0.00 -2.88 0.00 0.00 179.24 177.13 1lkj h ALA 119 N 1.91 0.27 -0.16 -0.78 0.00 -1.99 0.13 119.26 118.65 1lkj h ALA 119 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1lkj h ALA 119 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1lkj h ALA 119 CO 0.01 -0.20 0.07 0.93 0.00 0.00 0.00 179.25 180.07 1lkj h GLU 120 N 0.22 0.23 -0.34 0.00 4.39 -1.83 -1.30 114.58 115.95 1lkj h GLU 120 Ca 0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1lkj h GLU 120 Cb 0.08 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1lkj h GLU 120 CO -0.01 0.28 0.07 0.28 -1.16 0.00 0.00 179.01 178.47 1lkj h VAL 121 N 0.11 1.17 -0.26 3.13 2.07 -1.39 -1.02 116.25 120.06 1lkj h VAL 121 Ca 0.05 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1lkj h VAL 121 Cb 0.14 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1lkj h VAL 121 CO -0.01 0.21 -0.06 0.44 0.02 0.00 0.00 177.57 178.18 1lkj h ASP 122 N 0.49 0.50 0.50 0.57 3.32 -0.33 0.52 116.42 121.99 1lkj h ASP 122 Ca 0.11 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 1lkj h ASP 122 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1lkj h ASP 122 CO -0.00 0.75 -0.37 -0.78 -1.72 0.00 0.00 179.24 177.11 1lkj h ASP 123 N 0.24 0.00 0.63 6.45 3.58 -0.92 -2.67 116.42 123.73 1lkj h ASP 123 Ca 0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.25 1lkj h ASP 123 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1lkj h ASP 123 CO 0.03 0.37 -1.21 0.24 -2.88 0.00 0.00 179.24 175.79 1lkj h MET 124 N 0.00 0.27 -0.54 0.28 2.86 -0.99 -3.08 114.93 113.73 1lkj h MET 124 Ca -0.00 -0.44 -0.09 0.00 -2.06 0.00 0.00 59.70 57.11 1lkj h MET 124 Cb 0.72 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1lkj h MET 124 CO 0.05 1.20 0.00 -0.07 1.06 0.00 0.00 176.91 179.15 1lkj h LEU 125 N 0.08 0.93 -0.78 1.22 3.38 -0.71 0.36 115.31 119.79 1lkj h LEU 125 Ca -0.12 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1lkj h LEU 125 Cb 1.93 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1lkj h LEU 125 CO 0.20 1.01 -0.04 -0.09 0.09 0.00 0.00 178.44 179.61 1lkj h ARG 126 N 0.83 0.89 0.16 1.13 2.43 -1.56 0.62 114.38 118.87 1lkj h ARG 126 Ca 0.15 -0.27 -0.29 0.00 -0.81 0.00 0.00 59.98 58.76 1lkj h ARG 126 Cb 0.53 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1lkj h ARG 126 CO 0.03 0.91 -1.30 1.49 -1.51 0.00 0.00 179.97 179.58 1lkj h GLU 127 N 0.81 0.35 0.00 0.20 4.81 -1.42 -3.39 114.58 115.94 1lkj h GLU 127 Ca 0.15 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1lkj h GLU 127 Cb 0.54 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1lkj h GLU 127 CO 0.03 1.28 -0.16 0.28 -0.73 0.00 0.00 179.01 179.72 1lkj h VAL 128 N 0.10 0.00 -2.33 0.32 2.07 -0.19 -3.44 116.25 112.77 1lkj h VAL 128 Ca -0.17 -0.97 -0.55 0.00 0.82 0.00 0.00 66.70 65.84 1lkj h VAL 128 Cb 2.02 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1lkj h VAL 128 CO 0.22 0.00 1.27 -0.55 0.02 0.00 0.00 177.57 178.53 1lkj s SER 129 N -5.53 6.26 -0.01 0.57 0.15 0.22 -4.81 113.70 110.55 1lkj s SER 129 Ca -0.05 2.43 0.19 0.00 0.70 0.00 0.00 55.95 59.23 1lkj s SER 129 Cb 0.01 -2.53 0.32 0.00 -1.71 0.00 0.00 66.02 62.11 1lkj s SER 129 CO 0.07 -1.24 1.13 -0.90 1.20 0.00 0.00 173.24 173.50 1lkj n ASP 130 N 8.39 0.48 0.00 5.45 5.68 -1.26 -4.65 116.55 130.63 1lkj n ASP 130 Ca 0.22 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1lkj n ASP 130 Cb 0.42 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lkj n GLY 131 N 0.34 0.91 1.41 6.12 0.00 -1.26 -5.12 105.19 107.59 1lkj n GLY 131 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1lkj n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lkj n SER 132 N 0.00 0.00 -1.37 1.61 2.88 -1.26 -5.00 113.62 110.48 1lkj n SER 132 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1lkj n SER 132 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lkj n GLY 133 N 2.02 0.86 2.86 0.46 0.00 -1.26 -5.09 105.19 105.04 1lkj n GLY 133 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.07 0.35 0.15 1.61 2.02 -1.26 -4.16 118.70 117.33 1lkj s GLU 134 Ca 0.22 -0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.31 1lkj s GLU 134 Cb 0.26 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.00 1lkj s GLU 134 CO -0.11 -0.06 -0.23 0.42 0.02 0.00 0.00 175.26 175.30 1lkj s ILE 135 N 0.66 2.07 -0.18 -1.63 1.01 0.51 -4.72 121.20 118.93 1lkj s ILE 135 Ca -0.07 -1.84 -0.24 0.00 0.00 0.00 0.00 60.65 58.51 1lkj s ILE 135 Cb -0.10 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1lkj s ILE 135 CO -0.01 -0.10 0.77 0.21 0.00 0.00 0.00 174.94 175.81 1lkj s ASN 136 N -2.36 6.86 0.61 3.58 3.84 -1.26 -1.53 114.94 124.69 1lkj s ASN 136 Ca 0.15 1.06 0.38 0.00 0.21 0.00 0.00 52.86 54.66 1lkj s ASN 136 Cb -0.08 -2.42 1.98 0.00 -0.55 0.00 0.00 41.25 40.18 1lkj s ASN 136 CO 0.07 -0.36 2.23 0.16 -2.79 0.00 0.00 177.10 176.40 1lkj h ILE 137 N 5.20 0.13 -0.52 -5.21 3.07 -1.84 -2.37 117.51 115.97 1lkj h ILE 137 Ca -0.30 -0.21 -0.12 0.00 1.55 0.00 0.00 64.86 65.78 1lkj h ILE 137 Cb 1.13 1.18 -0.02 0.00 -0.27 0.00 0.00 36.82 38.85 1lkj h ILE 137 CO 0.82 0.02 -0.15 -0.61 -1.05 0.00 0.00 178.15 177.17 1lkj h GLN 138 N 0.00 1.02 -0.35 0.16 4.15 -1.91 -1.11 115.11 117.06 1lkj h GLN 138 Ca -0.00 -0.40 -0.10 0.00 0.77 0.00 0.00 58.65 58.93 1lkj h GLN 138 Cb 0.18 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1lkj h GLN 138 CO 0.00 1.08 -0.15 1.96 -1.93 0.00 0.00 178.83 179.79 1lkj h GLN 139 N 0.89 0.72 -0.21 1.69 1.08 -1.82 -2.41 115.11 115.06 1lkj h GLN 139 Ca 0.13 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 56.92 1lkj h GLN 139 Cb 0.73 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1lkj h GLN 139 CO 0.06 0.91 -0.29 0.35 -0.95 0.00 0.00 178.83 178.91 1lkj h PHE 140 N 0.51 0.45 -0.26 2.96 3.57 -1.49 -2.33 116.94 120.35 1lkj h PHE 140 Ca 0.08 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1lkj h PHE 140 Cb 0.69 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1lkj h PHE 140 CO 0.06 0.65 -0.29 0.00 -2.23 0.00 0.00 178.31 176.50 1lkj h ALA 141 N 1.35 1.02 -0.00 2.41 0.00 -1.06 -2.56 119.26 120.42 1lkj h ALA 141 Ca 0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1lkj h ALA 141 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1lkj h ALA 141 CO 0.05 0.59 -0.73 0.00 0.00 0.00 0.00 179.25 179.16 1lkj h ALA 142 N 1.24 0.79 -0.27 0.00 0.00 -1.16 -1.91 119.26 117.95 1lkj h ALA 142 Ca 0.06 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1lkj h ALA 142 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1lkj h ALA 142 CO 0.06 0.89 -0.47 -0.07 0.00 0.00 0.00 179.25 179.66 1lkj h LEU 143 N 0.02 0.78 0.00 0.00 3.38 -1.18 -3.35 115.31 114.96 1lkj h LEU 143 Ca -0.01 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1lkj h LEU 143 Cb 1.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1lkj h LEU 143 CO 0.10 1.13 -0.00 -0.07 0.09 0.00 0.00 178.44 179.68 1lkj h LEU 144 N 0.57 -0.00 0.00 1.67 3.38 -1.44 -3.49 115.31 115.99 1lkj h LEU 144 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lkj h LEU 144 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1lkj h LEU 144 CO 0.10 0.28 0.00 -0.24 0.09 0.00 0.00 178.44 178.67 1lkj n SER 145 N -3.59 -1.67 0.00 -0.43 2.88 -0.72 -5.12 113.62 104.97 1lkj n SER 145 Ca -0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1lkj n SER 145 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 1lkj n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10