#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 7.68 -4.07 -3.46 2.88 -1.26 -4.87 113.62 110.52 1lkj n SER 2 Ca 0.00 -3.44 -0.35 0.00 -1.33 0.00 0.00 58.87 53.75 1lkj n SER 2 Cb 0.00 -1.26 -0.10 0.00 -0.75 0.00 0.00 64.21 62.10 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 -0.56 5.08 0.08 -3.46 0.01 -1.26 -5.07 114.94 109.76 1lkj s ASN 3 Ca 0.46 -2.88 -0.30 0.00 -0.71 0.00 0.00 52.86 49.43 1lkj s ASN 3 Cb 0.19 -1.82 -0.05 0.00 0.41 0.00 0.00 41.25 39.98 1lkj s ASN 3 CO -0.11 -0.34 1.07 -0.76 -1.51 0.00 0.00 177.10 175.44 1lkj s LEU 4 N -0.10 4.42 0.81 0.60 1.43 -1.26 -5.04 118.68 119.53 1lkj s LEU 4 Ca 0.17 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 55.12 1lkj s LEU 4 Cb -0.21 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.59 1lkj s LEU 4 CO -0.03 -0.28 1.10 0.42 0.23 0.00 0.00 176.35 177.80 1lkj s THR 5 N 0.54 2.00 0.32 5.49 -4.23 -1.26 -4.79 115.64 113.72 1lkj s THR 5 Ca 0.52 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 1lkj s THR 5 Cb -0.26 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.29 1lkj s THR 5 CO 0.30 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 176.00 1lkj h GLU 6 N -0.87 0.86 -0.10 3.99 3.07 -1.97 0.48 114.58 120.04 1lkj h GLU 6 Ca -0.36 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1lkj h GLU 6 Cb 1.25 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1lkj h GLU 6 CO 0.35 0.63 0.03 0.93 -1.40 0.00 0.00 179.01 179.55 1lkj h GLU 7 N 0.87 0.15 -0.33 2.33 4.39 -1.99 0.17 114.58 120.17 1lkj h GLU 7 Ca 0.22 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1lkj h GLU 7 Cb 0.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1lkj h GLU 7 CO -0.04 0.32 0.03 1.96 -1.16 0.00 0.00 179.01 180.13 1lkj h GLN 8 N -0.05 0.56 0.00 2.33 1.08 -1.85 -2.58 115.11 114.60 1lkj h GLN 8 Ca 0.03 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1lkj h GLN 8 Cb 0.24 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1lkj h GLN 8 CO -0.00 0.66 -0.24 0.82 -0.95 0.00 0.00 178.83 179.12 1lkj h ILE 9 N 0.38 1.15 -0.36 2.54 2.04 -0.84 -2.67 117.51 119.74 1lkj h ILE 9 Ca 0.10 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 1lkj h ILE 9 Cb 0.39 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1lkj h ILE 9 CO 0.01 0.24 0.02 0.00 0.00 0.00 0.00 178.15 178.41 1lkj h ALA 10 N 1.76 0.49 0.04 1.87 0.00 -0.29 -1.51 119.26 121.61 1lkj h ALA 10 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 10 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lkj h ALA 10 CO 0.03 0.24 -0.02 1.49 0.00 0.00 0.00 179.25 180.99 1lkj h GLU 11 N 0.45 -0.05 -0.80 0.00 4.57 -1.14 -1.92 114.58 115.69 1lkj h GLU 11 Ca 0.11 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1lkj h GLU 11 Cb 0.43 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 1lkj h GLU 11 CO 0.02 0.04 0.53 0.74 -1.18 0.00 0.00 179.01 179.15 1lkj h PHE 12 N -0.13 0.94 -0.60 0.92 0.04 -1.46 -1.54 116.94 115.12 1lkj h PHE 12 Ca -0.01 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1lkj h PHE 12 Cb 0.11 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 1lkj h PHE 12 CO -0.05 0.54 0.18 -0.22 -0.60 0.00 0.00 178.31 178.16 1lkj h LYS 13 N 0.97 0.92 0.33 1.51 3.64 -0.86 0.12 116.57 123.19 1lkj h LYS 13 Ca 0.32 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1lkj h LYS 13 Cb 0.07 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1lkj h LYS 13 CO -0.10 0.79 -0.16 0.93 -2.27 0.00 0.00 179.45 178.65 1lkj h GLU 14 N 0.89 -0.42 -0.21 1.90 5.08 -0.50 0.18 114.58 121.50 1lkj h GLU 14 Ca 0.20 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1lkj h GLU 14 Cb 0.27 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1lkj h GLU 14 CO -0.01 -0.22 -0.28 0.00 -1.00 0.00 0.00 179.01 177.50 1lkj h ALA 15 N 0.11 1.14 -0.22 3.43 0.00 -1.38 -2.24 119.26 120.10 1lkj h ALA 15 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1lkj h ALA 15 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1lkj h ALA 15 CO 0.07 0.55 -0.41 0.35 0.00 0.00 0.00 179.25 179.81 1lkj h PHE 16 N 0.35 0.63 0.00 0.00 3.04 -0.54 -2.93 116.94 117.49 1lkj h PHE 16 Ca 0.05 -0.18 -0.11 0.00 3.98 0.00 0.00 57.97 61.71 1lkj h PHE 16 Cb 0.68 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1lkj h PHE 16 CO 0.02 0.86 -0.53 0.00 -2.02 0.00 0.00 178.31 176.63 1lkj h ALA 17 N 1.12 0.86 -0.39 2.41 0.00 -0.39 -1.38 119.26 121.48 1lkj h ALA 17 Ca 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1lkj h ALA 17 Cb 0.90 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1lkj h ALA 17 CO 0.08 0.67 0.21 -0.07 0.00 0.00 0.00 179.25 180.14 1lkj h LEU 18 N 0.00 0.33 0.00 0.00 3.38 -1.21 -2.87 115.31 114.94 1lkj h LEU 18 Ca -0.01 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1lkj h LEU 18 Cb 1.13 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1lkj h LEU 18 CO 0.07 0.24 -1.26 -0.26 0.09 0.00 0.00 178.44 177.31 1lkj h PHE 19 N 0.43 0.00 -2.45 1.13 -1.00 -1.60 -3.43 116.94 110.03 1lkj h PHE 19 Ca 0.16 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.38 1lkj h PHE 19 Cb 0.04 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.51 1lkj h PHE 19 CO -0.09 0.66 0.94 0.34 -1.61 0.00 0.00 178.31 178.55 1lkj s ASP 20 N -6.03 6.17 -0.06 2.17 2.15 -0.52 -4.88 116.67 115.67 1lkj s ASP 20 Ca -0.02 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.39 1lkj s ASP 20 Cb 0.08 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1lkj s ASP 20 CO 0.80 -1.74 -0.02 0.11 -0.17 0.00 0.00 175.17 174.16 1lkj h LYS 21 N 9.91 0.00 -0.67 4.34 1.79 -1.84 -3.44 116.57 126.66 1lkj h LYS 21 Ca -0.28 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.89 1lkj h LYS 21 Cb 1.05 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.35 1lkj h LYS 21 CO 1.25 0.00 -1.01 -0.25 -1.08 0.00 0.00 179.45 178.37 1lkj n ASP 22 N -3.59 0.83 -2.23 0.86 8.00 -1.26 -4.92 116.55 114.24 1lkj n ASP 22 Ca -0.01 -2.49 -0.31 0.00 0.71 0.00 0.00 54.79 52.69 1lkj n ASP 22 Cb 0.02 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1lkj n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1lkj n ASN 23 N -0.34 6.80 -3.53 -2.24 4.13 -1.26 -4.88 115.26 113.94 1lkj n ASN 23 Ca 0.05 -3.77 -0.26 0.00 1.68 0.00 0.00 54.58 52.28 1lkj n ASN 23 Cb 0.82 -0.82 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1lkj n ASN 24 N -0.88 -4.33 -1.67 6.41 4.13 -1.26 -1.58 115.26 116.08 1lkj n ASN 24 Ca 0.58 -0.53 -0.05 0.00 1.68 0.00 0.00 54.58 56.25 1lkj n ASN 24 Cb 0.78 -3.53 0.03 0.00 -1.54 0.00 0.00 39.78 35.52 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 -1.38 0.25 3.08 7.41 0.00 -1.26 -4.95 105.19 108.34 1lkj n GLY 25 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1lkj n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lkj s SER 26 N -3.35 -0.08 0.16 1.61 0.01 -0.61 -3.05 113.70 108.38 1lkj s SER 26 Ca 0.03 0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.46 1lkj s SER 26 Cb -0.01 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 1lkj s SER 26 CO 0.22 -0.20 -0.17 0.27 0.41 0.00 0.00 173.24 173.76 1lkj s ILE 27 N -0.59 1.70 0.60 1.44 -4.36 -0.70 -4.50 121.20 114.79 1lkj s ILE 27 Ca -0.07 -1.90 -0.10 0.00 -0.26 0.00 0.00 60.65 58.32 1lkj s ILE 27 Cb -0.04 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1lkj s ILE 27 CO 0.01 -0.37 1.00 -0.55 0.24 0.00 0.00 174.94 175.27 1lkj s SER 28 N -2.68 6.22 0.29 4.36 0.15 -1.26 -0.77 113.70 120.01 1lkj s SER 28 Ca 0.15 1.35 -0.02 0.00 0.70 0.00 0.00 55.95 58.12 1lkj s SER 28 Cb -0.05 -2.43 0.43 0.00 -1.71 0.00 0.00 66.02 62.26 1lkj s SER 28 CO 0.06 -0.84 1.96 0.77 1.20 0.00 0.00 173.24 176.39 1lkj h SER 29 N -0.25 0.95 -0.23 5.45 4.64 -1.98 -1.22 113.55 120.90 1lkj h SER 29 Ca -0.44 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1lkj h SER 29 Cb 1.19 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1lkj h SER 29 CO 0.62 0.70 0.26 -1.28 -0.87 0.00 0.00 176.83 176.26 1lkj h SER 30 N 1.12 0.00 0.24 4.97 0.87 -1.95 0.31 113.55 119.11 1lkj h SER 30 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1lkj h SER 30 Cb -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1lkj h SER 30 CO -0.06 0.00 -1.53 -0.62 -0.53 0.00 0.00 176.83 174.09 1lkj n GLU 31 N -3.77 0.49 0.03 2.24 1.02 -0.52 -4.38 120.64 115.75 1lkj n GLU 31 Ca 0.03 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 1lkj n GLU 31 Cb 0.40 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.33 -1.21 -4.62 5.85 -0.29 0.12 115.31 114.83 1lkj h LEU 32 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1lkj h LEU 32 Cb 0.88 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1lkj h LEU 32 CO 0.00 -0.15 0.55 0.00 -0.34 0.00 0.00 178.44 178.49 1lkj h ALA 33 N 0.86 1.49 -0.46 1.25 0.00 -1.76 -1.75 119.26 118.90 1lkj h ALA 33 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1lkj h ALA 33 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1lkj h ALA 33 CO -0.15 0.42 -0.16 1.15 0.00 0.00 0.00 179.25 180.52 1lkj h THR 34 N 1.03 1.27 -0.93 0.00 2.02 -1.57 -2.45 112.91 112.27 1lkj h THR 34 Ca 0.33 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1lkj h THR 34 Cb 0.04 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1lkj h THR 34 CO -0.10 0.44 0.62 0.58 0.37 0.00 0.00 175.52 177.43 1lkj h VAL 35 N 0.77 1.22 -0.29 3.16 2.07 -0.10 -0.83 116.25 122.26 1lkj h VAL 35 Ca 0.12 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1lkj h VAL 35 Cb 0.68 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1lkj h VAL 35 CO 0.05 0.23 -0.28 0.24 0.02 0.00 0.00 177.57 177.83 1lkj h MET 36 N 1.25 0.59 -0.38 1.57 2.86 -1.25 -0.02 114.93 119.54 1lkj h MET 36 Ca 0.35 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1lkj h MET 36 Cb -0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1lkj h MET 36 CO -0.08 0.81 -0.25 0.00 1.06 0.00 0.00 176.91 178.44 1lkj h ARG 37 N 0.51 0.77 0.05 1.72 3.08 -0.87 0.63 114.38 120.26 1lkj h ARG 37 Ca 0.07 -0.32 -0.23 0.00 0.07 0.00 0.00 59.98 59.56 1lkj h ARG 37 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1lkj h ARG 37 CO 0.06 0.94 -1.04 0.77 -1.07 0.00 0.00 179.97 179.62 1lkj h SER 38 N 0.67 0.27 0.59 7.04 0.02 -0.99 -3.22 113.55 117.93 1lkj h SER 38 Ca 0.09 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1lkj h SER 38 Cb 0.77 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1lkj h SER 38 CO 0.06 1.15 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.49 1lkj h LEU 39 N 0.08 0.00 0.00 5.07 3.38 -0.89 -3.46 115.31 119.48 1lkj h LEU 39 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1lkj h LEU 39 Cb 1.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1lkj h LEU 39 CO 0.16 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1lkj n GLY 40 N -0.16 1.61 3.76 0.83 0.00 -0.86 -5.09 105.19 105.28 1lkj n GLY 40 Ca -0.01 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 2.55 -0.44 0.99 1.43 0.21 -5.01 118.68 118.41 1lkj s LEU 41 Ca 0.00 -1.48 0.03 0.00 -1.03 0.00 0.00 54.13 51.66 1lkj s LEU 41 Cb 0.00 -0.91 0.25 0.00 0.03 0.00 0.00 46.19 45.56 1lkj s LEU 41 CO 0.00 -0.79 0.98 -1.20 0.23 0.00 0.00 176.35 175.57 1lkj n SER 42 N -1.29 -2.46 -4.76 2.29 7.64 -1.26 -4.26 113.62 109.51 1lkj n SER 42 Ca -0.12 -2.83 -0.40 0.00 1.01 0.00 0.00 58.87 56.53 1lkj n SER 42 Cb 0.66 1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 65.33 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1lkj s PRO 43 N 0.55 4.52 0.97 1.43 0.04 -1.26 -4.96 135.00 136.29 1lkj s PRO 43 Ca 0.30 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1lkj s PRO 43 Cb 0.21 -3.12 0.15 0.00 0.04 0.00 0.00 34.50 31.78 1lkj s PRO 43 CO -0.19 0.06 0.94 0.43 0.04 0.00 0.00 177.00 178.28 1lkj n SER 44 N 1.00 -0.55 0.17 6.66 7.64 -1.26 -4.68 113.62 122.59 1lkj n SER 44 Ca -0.00 0.30 0.16 0.00 1.01 0.00 0.00 58.87 60.33 1lkj n SER 44 Cb 0.44 -1.37 0.75 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.96 0.00 -0.15 1.43 4.81 -1.89 -0.64 114.58 116.17 1lkj h GLU 45 Ca -0.46 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.57 1lkj h GLU 45 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1lkj h GLU 45 CO 0.41 0.00 -0.71 0.00 -0.73 0.00 0.00 179.01 177.98 1lkj h ALA 46 N 1.83 0.45 -0.43 2.92 0.00 -1.97 -2.70 119.26 119.36 1lkj h ALA 46 Ca 0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1lkj h ALA 46 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1lkj h ALA 46 CO -0.00 0.71 -0.08 0.93 0.00 0.00 0.00 179.25 180.81 1lkj h GLU 47 N 0.47 0.76 -0.12 0.00 4.39 -1.44 -1.11 114.58 117.53 1lkj h GLU 47 Ca -0.03 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1lkj h GLU 47 Cb 1.31 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1lkj h GLU 47 CO 0.14 0.82 -0.00 0.28 -1.16 0.00 0.00 179.01 179.09 1lkj h VAL 48 N 0.69 1.25 -0.70 3.13 2.07 -1.40 -0.44 116.25 120.86 1lkj h VAL 48 Ca 0.12 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1lkj h VAL 48 Cb 0.54 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1lkj h VAL 48 CO 0.03 0.24 0.31 -1.13 0.02 0.00 0.00 177.57 177.04 1lkj h ASN 49 N -0.07 0.94 -0.55 0.57 -1.24 -1.37 -1.31 115.58 112.55 1lkj h ASN 49 Ca 0.03 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 1lkj h ASN 49 Cb 0.37 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1lkj h ASN 49 CO 0.01 0.83 0.13 0.44 -1.29 0.00 0.00 177.43 177.55 1lkj h ASP 50 N 0.98 0.84 -0.55 1.15 5.19 -1.11 -0.64 116.42 122.28 1lkj h ASP 50 Ca 0.24 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1lkj h ASP 50 Cb 0.16 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1lkj h ASP 50 CO -0.03 0.85 0.22 -0.07 -3.12 0.00 0.00 179.24 177.10 1lkj h LEU 51 N 0.78 0.76 -1.28 1.55 3.38 -0.77 -2.18 115.31 117.54 1lkj h LEU 51 Ca 0.17 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1lkj h LEU 51 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1lkj h LEU 51 CO 0.00 0.72 -0.35 0.24 0.09 0.00 0.00 178.44 179.14 1lkj h MET 52 N 0.75 0.00 -0.54 1.13 2.86 -1.04 -2.41 114.93 115.68 1lkj h MET 52 Ca 0.18 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1lkj h MET 52 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1lkj h MET 52 CO -0.02 0.35 -0.09 -0.97 1.06 0.00 0.00 176.91 177.24 1lkj h ASN 53 N 0.00 1.00 0.57 1.22 -0.00 -0.50 0.83 115.58 118.70 1lkj h ASN 53 Ca -0.00 -0.32 -0.15 0.00 -0.00 0.00 0.00 56.30 55.83 1lkj h ASN 53 Cb 0.66 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.69 1lkj h ASN 53 CO 0.04 1.10 -0.69 -0.08 -0.00 0.00 0.00 177.43 177.81 1lkj h GLU 54 N 0.90 0.10 0.00 6.67 4.57 -1.20 -3.36 114.58 122.27 1lkj h GLU 54 Ca 0.14 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1lkj h GLU 54 Cb 0.64 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1lkj h GLU 54 CO 0.04 0.75 -0.24 0.82 -1.18 0.00 0.00 179.01 179.21 1lkj h ILE 55 N 0.07 0.00 -2.05 2.32 2.04 -1.19 -3.44 117.51 115.26 1lkj h ILE 55 Ca -0.01 -0.85 -0.57 0.00 1.00 0.00 0.00 64.86 64.42 1lkj h ILE 55 Cb 1.22 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1lkj h ILE 55 CO 0.10 0.00 1.48 -0.62 0.00 0.00 0.00 178.15 179.10 1lkj s ASP 56 N -5.30 5.41 -0.03 1.72 -1.08 0.29 -4.80 116.67 112.88 1lkj s ASP 56 Ca -0.07 1.71 -0.06 0.00 -0.52 0.00 0.00 52.55 53.61 1lkj s ASP 56 Cb 0.01 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1lkj s ASP 56 CO 0.10 -2.02 -0.11 0.52 0.52 0.00 0.00 175.17 174.18 1lkj n VAL 57 N 7.74 0.79 -0.00 1.11 0.31 -1.26 -4.70 118.33 122.31 1lkj n VAL 57 Ca 0.29 0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 64.73 1lkj n VAL 57 Cb 0.46 -1.69 -0.14 0.00 -0.91 0.00 0.00 33.84 31.56 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 -3.37 1.59 0.00 4.52 2.03 -1.26 -5.04 116.55 115.01 1lkj n ASP 58 Ca -0.04 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1lkj n ASP 58 Cb 0.16 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 1.80 -1.84 3.44 0.27 0.00 -1.26 -5.06 105.19 102.54 1lkj n GLY 59 Ca -0.25 0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 1lkj n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lkj s ASN 60 N -4.00 6.51 -0.20 1.61 0.01 -1.26 -4.87 114.94 112.74 1lkj s ASN 60 Ca 0.00 -1.83 -0.08 0.00 -0.71 0.00 0.00 52.86 50.25 1lkj s ASN 60 Cb 0.00 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 1lkj s ASN 60 CO 0.00 -1.11 0.07 -2.28 -1.51 0.00 0.00 177.10 172.27 1lkj s HIS 61 N 2.80 3.23 -0.23 2.20 5.65 -1.26 -5.02 115.29 122.65 1lkj s HIS 61 Ca 0.28 0.02 -0.15 0.00 0.25 0.00 0.00 55.06 55.45 1lkj s HIS 61 Cb -0.09 -2.12 -0.04 0.00 -1.18 0.00 0.00 32.58 29.15 1lkj s HIS 61 CO -0.04 0.07 0.37 -0.65 -0.65 0.00 0.00 174.74 173.83 1lkj s GLN 62 N 0.63 4.11 -0.08 2.88 -0.21 -1.26 -4.16 119.66 121.56 1lkj s GLN 62 Ca 0.04 0.10 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 1lkj s GLN 62 Cb -0.13 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.28 1lkj s GLN 62 CO 0.01 -0.12 1.01 0.42 -2.12 0.00 0.00 175.29 174.50 1lkj s ILE 63 N 1.57 4.78 0.47 1.08 1.01 0.05 -4.82 121.20 125.34 1lkj s ILE 63 Ca 0.17 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.80 1lkj s ILE 63 Cb -0.15 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1lkj s ILE 63 CO 0.08 0.03 0.76 -1.61 0.00 0.00 0.00 174.94 174.21 1lkj s GLU 64 N 1.83 3.52 0.58 2.79 2.02 -1.26 -1.71 118.70 126.47 1lkj s GLU 64 Ca 0.49 0.13 0.28 0.00 0.02 0.00 0.00 54.97 55.90 1lkj s GLU 64 Cb -0.19 -2.41 1.64 0.00 0.10 0.00 0.00 34.13 33.27 1lkj s GLU 64 CO 0.20 -0.18 2.11 0.35 0.02 0.00 0.00 175.26 177.77 1lkj h PHE 65 N 0.27 0.00 0.20 1.61 3.57 -1.91 -1.03 116.94 119.66 1lkj h PHE 65 Ca -0.47 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1lkj h PHE 65 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1lkj h PHE 65 CO 0.57 0.00 -0.10 0.66 -2.23 0.00 0.00 178.31 177.21 1lkj h SER 66 N 0.00 -0.23 0.12 0.41 4.64 -1.92 -1.98 113.55 114.60 1lkj h SER 66 Ca 0.08 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1lkj h SER 66 Cb 0.45 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1lkj h SER 66 CO -0.00 0.28 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.77 1lkj h GLU 67 N -0.86 0.05 -0.18 4.77 5.08 -1.84 -2.61 114.58 118.99 1lkj h GLU 67 Ca -0.03 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1lkj h GLU 67 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1lkj h GLU 67 CO 0.05 0.20 -0.22 0.35 -1.00 0.00 0.00 179.01 178.39 1lkj h PHE 68 N 0.05 0.57 -0.80 4.33 3.57 -1.21 -1.99 116.94 121.46 1lkj h PHE 68 Ca 0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1lkj h PHE 68 Cb 0.29 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1lkj h PHE 68 CO 0.00 0.85 0.51 -0.07 -2.23 0.00 0.00 178.31 177.38 1lkj h LEU 69 N 0.13 0.93 -0.01 0.59 3.38 -1.04 -0.10 115.31 119.19 1lkj h LEU 69 Ca 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lkj h LEU 69 Cb 0.77 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1lkj h LEU 69 CO 0.05 0.69 -0.00 0.00 0.09 0.00 0.00 178.44 179.26 1lkj h ALA 70 N 1.48 0.01 -0.86 1.53 0.00 -1.41 -2.39 119.26 117.61 1lkj h ALA 70 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lkj h ALA 70 Cb -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1lkj h ALA 70 CO -0.06 -0.27 0.57 -0.07 0.00 0.00 0.00 179.25 179.43 1lkj h LEU 71 N -0.42 0.99 -0.78 0.00 3.38 -1.11 -2.13 115.31 115.24 1lkj h LEU 71 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1lkj h LEU 71 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1lkj h LEU 71 CO 0.00 0.72 0.31 0.24 0.09 0.00 0.00 178.44 179.80 1lkj h MET 72 N 1.17 1.17 -0.43 1.13 2.86 -0.96 -2.20 114.93 117.66 1lkj h MET 72 Ca 0.32 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1lkj h MET 72 Cb -0.13 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.32 1lkj h MET 72 CO -0.07 0.95 0.26 0.77 1.06 0.00 0.00 176.91 179.88 1lkj h SER 73 N 1.13 0.51 0.25 1.22 0.02 -0.86 0.62 113.55 116.45 1lkj h SER 73 Ca 0.26 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1lkj h SER 73 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1lkj h SER 73 CO -0.02 0.41 -0.19 0.03 -1.14 0.00 0.00 176.83 175.92 1lkj h ARG 74 N 0.57 0.00 0.00 3.45 3.08 -1.24 -2.31 114.38 117.92 1lkj h ARG 74 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1lkj h ARG 74 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1lkj h ARG 74 CO -0.03 0.19 -1.04 1.96 -1.07 0.00 0.00 179.97 179.98 1lkj h GLN 75 N 0.00 0.00 -0.62 0.04 4.20 -0.71 -3.32 115.11 114.71 1lkj h GLN 75 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lkj h GLN 75 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1lkj h GLN 75 CO 0.02 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 1lkj n LEU 76 N -2.70 3.11 0.00 1.46 4.77 0.21 -4.93 117.00 118.92 1lkj n LEU 76 Ca -0.01 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1lkj n LEU 76 Cb 0.58 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1lkj n LEU 76 CO 0.40 0.51 0.00 2.29 -1.33 0.00 0.00 177.39 179.26 1lkj n LYS 77 N 0.53 -1.39 0.00 3.23 2.85 -1.13 -5.02 118.16 117.23 1lkj n LYS 77 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1lkj n LYS 77 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1lkj n LYS 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lkj n SER 78 N -2.53 0.00 -2.86 -5.58 2.88 -1.26 -4.92 113.62 99.36 1lkj n SER 78 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1lkj n SER 78 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1lkj n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1lkj n ASN 79 N 0.00 -5.91 -4.26 -3.46 3.02 -1.26 -4.94 115.26 98.45 1lkj n ASN 79 Ca 0.00 1.11 -0.39 0.00 -0.03 0.00 0.00 54.58 55.27 1lkj n ASN 79 Cb 0.00 -3.93 -0.11 0.00 -0.61 0.00 0.00 39.78 35.13 1lkj n ASN 79 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1lkj s ASP 80 N -1.05 5.48 0.07 6.41 1.11 -1.26 -4.93 116.67 122.49 1lkj s ASP 80 Ca -0.07 -1.37 0.22 0.00 0.18 0.00 0.00 52.55 51.52 1lkj s ASP 80 Cb 0.00 -1.93 0.89 0.00 1.07 0.00 0.00 42.92 42.96 1lkj s ASP 80 CO 0.50 -0.44 1.69 -1.20 1.18 0.00 0.00 175.17 176.90 1lkj n SER 81 N 4.85 0.22 0.46 0.27 7.64 -1.26 -3.70 113.62 122.10 1lkj n SER 81 Ca -0.10 0.54 -0.19 0.00 1.01 0.00 0.00 58.87 60.12 1lkj n SER 81 Cb 0.44 -0.59 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1lkj n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1lkj h GLU 82 N 0.00 -1.12 -0.01 1.43 4.81 -1.92 -1.60 114.58 116.16 1lkj h GLU 82 Ca 0.00 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1lkj h GLU 82 Cb 0.41 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1lkj h GLU 82 CO 0.00 -0.74 0.02 1.96 -0.73 0.00 0.00 179.01 179.51 1lkj h GLN 83 N -1.21 0.00 -0.26 1.92 4.20 -1.98 -1.77 115.11 116.01 1lkj h GLN 83 Ca -0.12 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 1lkj h GLN 83 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1lkj h GLN 83 CO 0.20 0.00 -0.49 0.93 -0.67 0.00 0.00 178.83 178.79 1lkj h GLU 84 N 0.00 0.80 -0.29 1.46 4.39 -1.55 -1.79 114.58 117.60 1lkj h GLU 84 Ca 0.01 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 1lkj h GLU 84 Cb 0.04 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1lkj h GLU 84 CO -0.00 1.14 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.71 1lkj h LEU 85 N 0.56 0.69 -1.42 1.33 3.38 -0.44 -2.64 115.31 116.77 1lkj h LEU 85 Ca 0.01 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1lkj h LEU 85 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1lkj h LEU 85 CO 0.11 0.98 -0.29 -0.07 0.09 0.00 0.00 178.44 179.26 1lkj h LEU 86 N 0.40 0.00 -0.25 1.67 3.38 -1.48 -2.68 115.31 116.35 1lkj h LEU 86 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1lkj h LEU 86 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1lkj h LEU 86 CO 0.06 0.29 -0.26 -0.33 0.09 0.00 0.00 178.44 178.29 1lkj h GLU 87 N 0.00 0.62 -0.10 1.13 3.07 -1.14 -2.08 114.58 116.09 1lkj h GLU 87 Ca -0.00 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 1lkj h GLU 87 Cb 0.55 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1lkj h GLU 87 CO 0.04 0.93 0.04 0.00 -1.40 0.00 0.00 179.01 178.62 1lkj h ALA 88 N 0.68 0.13 0.00 3.43 0.00 -1.27 -2.41 119.26 119.82 1lkj h ALA 88 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1lkj h ALA 88 Cb 0.82 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1lkj h ALA 88 CO 0.06 -0.29 -0.10 0.74 0.00 0.00 0.00 179.25 179.66 1lkj h PHE 89 N 0.00 0.00 -0.23 0.00 0.04 -1.51 -2.54 116.94 112.70 1lkj h PHE 89 Ca 0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1lkj h PHE 89 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1lkj h PHE 89 CO -0.02 0.10 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.52 1lkj h LYS 90 N 0.00 0.45 -0.65 1.51 3.64 -0.90 -1.86 116.57 118.76 1lkj h LYS 90 Ca -0.00 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1lkj h LYS 90 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1lkj h LYS 90 CO 0.01 0.68 0.24 0.28 -2.27 0.00 0.00 179.45 178.39 1lkj h VAL 91 N 0.19 1.23 0.00 2.00 2.07 -1.06 -2.10 116.25 118.58 1lkj h VAL 91 Ca 0.06 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1lkj h VAL 91 Cb 0.51 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1lkj h VAL 91 CO 0.02 0.30 -0.34 -0.26 0.02 0.00 0.00 177.57 177.31 1lkj h PHE 92 N 0.95 0.00 -3.63 1.57 -1.00 -1.36 -3.43 116.94 110.04 1lkj h PHE 92 Ca 0.22 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.49 1lkj h PHE 92 Cb 0.21 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1lkj h PHE 92 CO 0.02 0.34 0.31 0.34 -1.61 0.00 0.00 178.31 177.71 1lkj s ASP 93 N -6.48 7.53 0.26 2.17 2.15 -0.71 -4.95 116.67 116.63 1lkj s ASP 93 Ca -0.01 1.81 0.11 0.00 0.43 0.00 0.00 52.55 54.89 1lkj s ASP 93 Cb 0.12 -2.58 0.30 0.00 -0.30 0.00 0.00 42.92 40.46 1lkj s ASP 93 CO 0.68 0.08 1.57 0.50 -0.17 0.00 0.00 175.17 177.83 1lkj h LYS 94 N 4.79 0.00 0.00 4.34 1.63 -1.84 -3.46 116.57 122.04 1lkj h LYS 94 Ca -0.44 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 58.91 1lkj h LYS 94 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 1lkj h LYS 94 CO 0.69 0.65 -0.22 0.09 -3.45 0.00 0.00 179.45 177.21 1lkj n ASN 95 N -3.70 2.38 -2.05 4.20 5.03 -1.26 -5.03 115.26 114.84 1lkj n ASN 95 Ca -0.01 -2.45 -0.25 0.00 0.87 0.00 0.00 54.58 52.74 1lkj n ASN 95 Cb 0.65 -0.01 0.12 0.00 -1.02 0.00 0.00 39.78 39.52 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lkj n GLY 96 N 0.01 5.45 0.09 7.41 0.00 -1.26 -4.46 105.19 112.43 1lkj n GLY 96 Ca -0.03 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 1lkj n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lkj n ASP 97 N -0.98 1.77 0.00 1.61 2.03 -1.26 -5.04 116.55 114.67 1lkj n ASP 97 Ca 0.54 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1lkj n ASP 97 Cb 1.03 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 98 N 2.28 0.66 2.67 0.27 0.00 -1.26 -4.96 105.19 104.85 1lkj n GLY 98 Ca -0.31 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 1.73 0.28 0.99 1.43 -1.26 -2.73 118.68 119.12 1lkj s LEU 99 Ca 0.00 -1.56 0.11 0.00 -1.03 0.00 0.00 54.13 51.65 1lkj s LEU 99 Cb 0.00 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1lkj s LEU 99 CO 0.00 -0.42 -0.14 0.27 0.23 0.00 0.00 176.35 176.29 1lkj s ILE 100 N 1.73 2.74 0.63 -0.59 -4.36 -0.69 -4.72 121.20 115.94 1lkj s ILE 100 Ca 0.10 -2.26 -0.11 0.00 -0.26 0.00 0.00 60.65 58.12 1lkj s ILE 100 Cb -0.17 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1lkj s ILE 100 CO -0.28 -0.38 1.03 -0.55 0.24 0.00 0.00 174.94 175.00 1lkj s SER 101 N -3.56 6.15 0.43 4.36 0.15 -1.26 0.82 113.70 120.78 1lkj s SER 101 Ca 0.31 1.42 0.16 0.00 0.70 0.00 0.00 55.95 58.53 1lkj s SER 101 Cb -0.05 -2.45 1.06 0.00 -1.71 0.00 0.00 66.02 62.87 1lkj s SER 101 CO 0.17 -0.92 1.92 0.00 1.20 0.00 0.00 173.24 175.61 1lkj h ALA 102 N -0.36 2.12 0.95 5.45 0.00 -1.79 -1.69 119.26 123.93 1lkj h ALA 102 Ca -0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1lkj h ALA 102 Cb 1.19 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1lkj h ALA 102 CO 0.62 -0.31 -0.46 0.00 0.00 0.00 0.00 179.25 179.10 1lkj h ALA 103 N 1.65 -1.27 -0.10 0.00 0.00 -1.92 -1.33 119.26 116.30 1lkj h ALA 103 Ca 0.36 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1lkj h ALA 103 Cb 0.83 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1lkj h ALA 103 CO -0.11 -1.20 0.09 0.93 0.00 0.00 0.00 179.25 178.96 1lkj h GLU 104 N -1.30 0.00 -0.25 0.00 5.08 -1.83 -1.76 114.58 114.52 1lkj h GLU 104 Ca -0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1lkj h GLU 104 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1lkj h GLU 104 CO 0.21 0.00 -0.13 1.25 -1.00 0.00 0.00 179.01 179.34 1lkj h LEU 105 N 0.00 0.54 -0.86 1.33 5.85 -0.79 -2.25 115.31 119.14 1lkj h LEU 105 Ca 0.05 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 1lkj h LEU 105 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1lkj h LEU 105 CO -0.00 0.84 -0.06 0.11 -0.34 0.00 0.00 178.44 178.98 1lkj h LYS 106 N 0.25 0.78 -0.09 1.25 1.57 -0.40 -1.24 116.57 118.69 1lkj h LYS 106 Ca 0.05 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1lkj h LYS 106 Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1lkj h LYS 106 CO 0.04 0.83 -0.27 1.25 -0.57 0.00 0.00 179.45 180.73 1lkj h HIS 107 N 0.72 0.18 0.14 -1.35 2.76 -1.35 -2.14 115.15 114.10 1lkj h HIS 107 Ca 0.13 -0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 58.03 1lkj h HIS 107 Cb 0.53 -0.05 0.03 0.00 1.55 0.00 0.00 27.41 29.47 1lkj h HIS 107 CO 0.03 0.42 -1.01 0.28 -1.30 0.00 0.00 177.93 176.35 1lkj h VAL 108 N 0.15 1.40 -0.30 5.26 2.07 -0.98 -2.38 116.25 121.48 1lkj h VAL 108 Ca 0.02 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 1lkj h VAL 108 Cb 0.56 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1lkj h VAL 108 CO 0.04 0.72 0.08 -0.07 0.02 0.00 0.00 177.57 178.36 1lkj h LEU 109 N -0.08 0.38 0.12 2.57 4.07 -1.13 -1.85 115.31 119.39 1lkj h LEU 109 Ca -0.16 -0.04 -0.27 0.00 0.08 0.00 0.00 57.88 57.48 1lkj h LEU 109 Cb 1.75 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1lkj h LEU 109 CO 0.19 0.39 -1.23 0.74 -1.08 0.00 0.00 178.44 177.46 1lkj h THR 110 N 0.42 1.52 -0.37 0.22 2.02 -1.45 -3.20 112.91 112.07 1lkj h THR 110 Ca 0.10 -3.09 -0.05 0.00 0.77 0.00 0.00 66.41 64.14 1lkj h THR 110 Cb 0.16 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1lkj h THR 110 CO -0.00 0.90 0.02 -1.28 0.37 0.00 0.00 175.52 175.53 1lkj h SER 111 N 0.07 0.61 0.23 4.18 0.87 -1.01 -2.51 113.55 115.99 1lkj h SER 111 Ca -0.13 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1lkj h SER 111 Cb 1.96 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1lkj h SER 111 CO 0.20 0.76 -0.07 0.40 -0.53 0.00 0.00 176.83 177.58 1lkj h ILE 112 N 0.45 0.52 -0.94 2.23 2.04 -1.45 -3.46 117.51 116.92 1lkj h ILE 112 Ca 0.11 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1lkj h ILE 112 Cb 0.43 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1lkj h ILE 112 CO 0.01 0.07 -0.14 0.61 0.00 0.00 0.00 178.15 178.71 1lkj n GLY 113 N -0.92 0.22 3.56 5.37 0.00 -0.95 -5.01 105.19 107.47 1lkj n GLY 113 Ca -0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.41 -0.20 -1.33 1.61 0.41 -1.23 -4.86 118.70 108.68 1lkj s GLU 114 Ca 0.02 1.06 -0.06 0.00 -0.41 0.00 0.00 54.97 55.57 1lkj s GLU 114 Cb -0.01 -1.62 0.07 0.00 -1.78 0.00 0.00 34.13 30.79 1lkj s GLU 114 CO 0.03 -3.31 2.52 1.63 -0.49 0.00 0.00 175.26 175.64 1lkj n LYS 115 N -4.65 4.33 -4.10 1.61 5.02 -1.26 -4.89 118.16 114.21 1lkj n LYS 115 Ca 0.06 -3.16 -0.15 0.00 -2.02 0.00 0.00 58.31 53.05 1lkj n LYS 115 Cb 0.54 -2.64 -0.14 0.00 -0.02 0.00 0.00 35.03 32.77 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lkj s LEU 116 N -1.68 2.07 0.51 -0.35 1.43 -1.26 -5.14 118.68 114.26 1lkj s LEU 116 Ca 0.57 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 1lkj s LEU 116 Cb 0.19 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.25 1lkj s LEU 116 CO -0.09 -0.01 0.67 0.42 0.23 0.00 0.00 176.35 177.57 1lkj s THR 117 N -0.41 2.48 0.34 5.49 -4.23 -1.26 -4.93 115.64 113.12 1lkj s THR 117 Ca -0.01 -1.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1lkj s THR 117 Cb -0.04 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.57 1lkj s THR 117 CO -0.00 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 176.48 1lkj h ASP 118 N 0.42 0.76 -0.57 3.99 5.19 -2.01 -1.81 116.42 122.38 1lkj h ASP 118 Ca -0.35 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.01 1lkj h ASP 118 Cb 1.28 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1lkj h ASP 118 CO 0.44 0.51 0.15 0.00 -3.12 0.00 0.00 179.24 177.22 1lkj h ALA 119 N 1.57 0.75 -0.19 3.45 0.00 -2.00 -1.76 119.26 121.08 1lkj h ALA 119 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lkj h ALA 119 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 119 CO -0.10 0.45 0.07 0.93 0.00 0.00 0.00 179.25 180.60 1lkj h GLU 120 N 0.82 0.29 0.00 0.00 4.39 -1.73 -2.21 114.58 116.13 1lkj h GLU 120 Ca 0.18 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1lkj h GLU 120 Cb 0.33 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1lkj h GLU 120 CO -0.00 0.37 -0.06 0.28 -1.16 0.00 0.00 179.01 178.44 1lkj h VAL 121 N 0.15 0.74 -0.00 3.13 2.07 -1.25 -1.66 116.25 119.42 1lkj h VAL 121 Ca 0.06 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1lkj h VAL 121 Cb 0.19 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1lkj h VAL 121 CO -0.00 0.06 -0.00 -0.78 0.02 0.00 0.00 177.57 176.86 1lkj h ASP 122 N 0.00 0.01 0.00 0.57 3.58 -0.72 0.26 116.42 120.13 1lkj h ASP 122 Ca -0.00 -0.45 -0.08 0.00 0.42 0.00 0.00 57.03 56.93 1lkj h ASP 122 Cb 0.13 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1lkj h ASP 122 CO 0.01 0.45 -0.21 0.44 -2.88 0.00 0.00 179.24 177.05 1lkj h ASP 123 N -0.43 0.35 0.46 2.28 5.19 -1.11 -2.67 116.42 120.49 1lkj h ASP 123 Ca 0.00 -0.10 -0.19 0.00 -0.62 0.00 0.00 57.03 56.12 1lkj h ASP 123 Cb 0.45 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1lkj h ASP 123 CO 0.00 0.57 -0.80 -0.03 -3.12 0.00 0.00 179.24 175.86 1lkj h MET 124 N 0.33 0.26 -0.37 3.56 4.05 -1.26 -3.11 114.93 118.38 1lkj h MET 124 Ca 0.06 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.19 1lkj h MET 124 Cb 0.55 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1lkj h MET 124 CO 0.04 0.93 0.07 -0.07 0.23 0.00 0.00 176.91 178.11 1lkj h LEU 125 N 0.16 0.58 -1.86 3.39 3.38 -0.62 -0.70 115.31 119.63 1lkj h LEU 125 Ca -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1lkj h LEU 125 Cb 1.40 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1lkj h LEU 125 CO 0.13 0.68 -0.10 0.03 0.09 0.00 0.00 178.44 179.26 1lkj h ARG 126 N 0.45 0.00 0.25 1.13 3.08 -1.51 0.82 114.38 118.60 1lkj h ARG 126 Ca 0.11 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.83 1lkj h ARG 126 Cb 0.34 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.42 1lkj h ARG 126 CO 0.00 0.10 -1.47 0.93 -1.07 0.00 0.00 179.97 178.46 1lkj h GLU 127 N 0.00 0.53 0.00 0.04 5.08 -1.38 -3.40 114.58 115.44 1lkj h GLU 127 Ca -0.00 -0.90 -0.01 0.00 -1.00 0.00 0.00 59.36 57.45 1lkj h GLU 127 Cb 0.19 0.33 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1lkj h GLU 127 CO 0.01 1.43 -0.41 0.28 -1.00 0.00 0.00 179.01 179.32 1lkj h VAL 128 N 0.14 0.07 -0.54 3.13 2.07 -0.74 -3.42 116.25 116.97 1lkj h VAL 128 Ca -0.25 -1.08 -0.20 0.00 0.82 0.00 0.00 66.70 65.99 1lkj h VAL 128 Cb 2.16 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1lkj h VAL 128 CO 0.27 0.02 0.55 -0.55 0.02 0.00 0.00 177.57 177.89 1lkj s SER 129 N -5.75 4.67 0.49 0.57 0.15 0.28 -4.74 113.70 109.38 1lkj s SER 129 Ca -0.12 -0.67 0.20 0.00 0.70 0.00 0.00 55.95 56.07 1lkj s SER 129 Cb 0.02 -2.56 1.26 0.00 -1.71 0.00 0.00 66.02 63.02 1lkj s SER 129 CO 0.19 -3.25 2.06 -0.78 1.20 0.00 0.00 173.24 172.66 1lkj h ASP 130 N 11.43 0.00 0.00 5.45 1.82 -1.80 -3.42 116.42 129.89 1lkj h ASP 130 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1lkj h ASP 130 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1lkj h ASP 130 CO 1.14 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 179.51 1lkj n GLY 131 N -1.00 0.66 0.00 -0.78 0.00 -1.26 -5.10 105.19 97.71 1lkj n GLY 131 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 1.61 7.64 -1.26 -5.07 113.62 116.54 1lkj n SER 132 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1lkj n SER 132 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.71 -1.79 3.95 0.23 0.00 -1.26 -4.50 105.19 101.11 1lkj n GLY 133 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 3.47 0.14 1.61 8.01 -1.26 -3.80 118.70 126.86 1lkj s GLU 134 Ca 0.00 -0.53 0.05 0.00 0.01 0.00 0.00 54.97 54.50 1lkj s GLU 134 Cb 0.00 -2.80 -0.04 0.00 -4.31 0.00 0.00 34.13 26.98 1lkj s GLU 134 CO 0.00 0.33 -0.11 0.42 0.01 0.00 0.00 175.26 175.90 1lkj s ILE 135 N -2.08 1.21 -0.15 -1.63 1.01 0.24 -4.84 121.20 114.96 1lkj s ILE 135 Ca 0.37 -1.95 -0.17 0.00 0.00 0.00 0.00 60.65 58.89 1lkj s ILE 135 Cb -0.10 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1lkj s ILE 135 CO 0.32 -0.65 0.44 0.54 0.00 0.00 0.00 174.94 175.59 1lkj s ASN 136 N -2.95 6.59 0.00 3.58 2.20 -1.26 -1.70 114.94 121.40 1lkj s ASN 136 Ca 0.14 0.71 0.29 0.00 -0.94 0.00 0.00 52.86 53.06 1lkj s ASN 136 Cb 0.00 -2.26 1.24 0.00 -2.00 0.00 0.00 41.25 38.23 1lkj s ASN 136 CO 0.01 -0.02 1.93 2.30 -2.94 0.00 0.00 177.10 178.38 1lkj n ILE 137 N 3.88 0.01 0.39 0.54 -5.35 -1.10 -3.55 119.36 114.16 1lkj n ILE 137 Ca -0.08 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.22 1lkj n ILE 137 Cb 0.51 -0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 37.82 1lkj n ILE 137 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1lkj h GLN 138 N 0.00 -0.91 -0.04 6.28 -0.00 -1.92 0.85 115.11 119.36 1lkj h GLN 138 Ca 0.00 0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.55 1lkj h GLN 138 Cb 0.49 0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 1lkj h GLN 138 CO 0.00 -0.61 -0.70 0.37 0.00 0.00 0.00 178.83 177.89 1lkj h GLN 139 N -0.95 0.22 -0.33 1.69 5.75 -1.99 -2.68 115.11 116.82 1lkj h GLN 139 Ca -0.10 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.08 1lkj h GLN 139 Cb 0.73 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 1lkj h GLN 139 CO 0.16 0.83 -0.36 0.35 -2.65 0.00 0.00 178.83 177.16 1lkj h PHE 140 N 0.15 0.99 -0.71 3.99 3.04 -1.58 -2.67 116.94 120.16 1lkj h PHE 140 Ca -0.02 -0.31 -0.07 0.00 3.98 0.00 0.00 57.97 61.55 1lkj h PHE 140 Cb 1.25 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.53 1lkj h PHE 140 CO 0.02 1.10 0.17 0.00 -2.02 0.00 0.00 178.31 177.59 1lkj h ALA 141 N 0.73 0.97 -0.61 2.41 0.00 0.75 -2.46 119.26 121.05 1lkj h ALA 141 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1lkj h ALA 141 Cb 0.95 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1lkj h ALA 141 CO 0.09 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.36 1lkj h ALA 142 N 1.11 0.78 -0.50 0.00 0.00 -1.40 0.14 119.26 119.39 1lkj h ALA 142 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1lkj h ALA 142 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1lkj h ALA 142 CO 0.00 0.27 0.19 -0.07 0.00 0.00 0.00 179.25 179.64 1lkj h LEU 143 N 0.83 0.66 0.03 0.00 3.38 -1.22 -3.29 115.31 115.69 1lkj h LEU 143 Ca 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1lkj h LEU 143 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1lkj h LEU 143 CO -0.04 0.60 -0.01 -0.07 0.09 0.00 0.00 178.44 179.01 1lkj h LEU 144 N 0.71 -0.03 0.00 1.67 3.38 -0.94 -3.46 115.31 116.63 1lkj h LEU 144 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1lkj h LEU 144 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1lkj h LEU 144 CO -0.01 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.09 1lkj n SER 145 N -2.88 -1.13 0.00 -0.43 3.41 0.45 -4.96 113.62 108.08 1lkj n SER 145 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1lkj n SER 145 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1lkj n SER 145 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05