#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkj n SER 2 N 0.00 -4.46 -0.26 1.61 7.64 -1.26 -4.88 113.62 112.01 1rkj n SER 2 Ca 0.00 0.18 0.10 0.00 1.01 0.00 0.00 58.87 60.16 1rkj n SER 2 Cb 0.00 -3.38 0.36 0.00 -1.01 0.00 0.00 64.21 60.18 1rkj n SER 2 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1rkj h HIS 3 N 0.00 0.83 -6.04 1.43 -0.00 -2.10 -3.42 115.15 105.85 1rkj h HIS 3 Ca -0.30 0.02 -0.42 0.00 -0.00 0.00 0.00 60.37 59.67 1rkj h HIS 3 Cb 1.05 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1rkj h HIS 3 CO 0.38 0.35 -0.09 -0.12 -0.00 0.00 0.00 177.93 178.44 1rkj n MET 4 N -4.54 0.70 -0.06 5.12 1.56 -1.26 -5.06 117.12 113.58 1rkj n MET 4 Ca 0.16 -2.66 -0.18 0.00 -0.27 0.00 0.00 57.70 54.75 1rkj n MET 4 Cb 0.39 -0.10 -0.13 0.00 2.15 0.00 0.00 33.22 35.53 1rkj n MET 4 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1rkj n VAL 5 N -1.96 1.61 -3.58 1.12 0.31 -1.26 -5.05 118.33 109.53 1rkj n VAL 5 Ca 0.11 -0.65 -0.06 0.00 -0.01 0.00 0.00 64.34 63.73 1rkj n VAL 5 Cb 0.50 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.99 1rkj n VAL 5 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1rkj s GLU 6 N -2.54 0.70 -0.08 5.55 2.56 -1.26 -5.16 118.70 118.47 1rkj s GLU 6 Ca -0.25 -0.30 -0.31 0.00 0.00 0.00 0.00 54.97 54.11 1rkj s GLU 6 Cb 0.08 0.30 0.12 0.00 2.00 0.00 0.00 34.13 36.62 1rkj s GLU 6 CO 0.71 -0.31 1.04 0.20 -0.56 0.00 0.00 175.26 176.34 1rkj s GLY 7 N -2.52 -0.38 -0.23 -1.50 0.00 -1.26 -5.13 107.32 96.30 1rkj s GLY 7 Ca 0.08 1.22 -0.24 0.00 0.00 0.00 0.00 44.72 45.78 1rkj s GLY 7 CO -0.06 0.40 0.81 -1.35 0.00 0.00 0.00 173.10 172.90 1rkj s SER 8 N -2.38 6.83 0.00 1.64 1.04 -1.26 -4.99 113.70 114.58 1rkj s SER 8 Ca 0.07 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1rkj s SER 8 Cb -0.01 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1rkj s SER 8 CO -0.07 -0.47 0.75 -0.62 0.98 0.00 0.00 173.24 173.81 1rkj n GLU 9 N 5.78 0.00 0.00 4.02 4.71 -1.26 -4.99 120.64 128.90 1rkj n GLU 9 Ca 0.05 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1rkj n GLU 9 Cb 0.48 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 1rkj n GLU 9 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rkj n SER 10 N -1.49 0.00 0.00 1.62 7.64 -1.26 -5.13 113.62 114.99 1rkj n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rkj n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1rkj n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rkj n THR 11 N -0.73 0.00 0.00 0.44 -2.24 -1.26 -4.94 114.28 105.55 1rkj n THR 11 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rkj n THR 11 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1rkj n THR 11 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rkj n THR 12 N 0.00 0.00 0.00 4.28 5.66 -1.26 -5.00 114.28 117.96 1rkj n THR 12 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rkj n THR 12 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rkj n THR 12 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1rkj n PRO 13 N -0.08 2.16 -3.57 1.09 -0.02 -1.26 -4.62 135.00 128.70 1rkj n PRO 13 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 1rkj n PRO 13 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1rkj n PRO 13 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1rkj n PHE 14 N -0.11 -1.45 -3.78 6.00 3.01 -1.26 -3.93 117.46 115.94 1rkj n PHE 14 Ca 0.00 0.54 -0.37 0.00 1.01 0.00 0.00 57.45 58.63 1rkj n PHE 14 Cb 0.00 -2.07 -0.06 0.00 -0.01 0.00 0.00 39.48 37.34 1rkj n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rkj s ASN 15 N -2.92 6.46 0.32 4.37 4.22 -1.26 0.44 114.94 126.57 1rkj s ASN 15 Ca 0.06 0.55 0.10 0.00 -2.14 0.00 0.00 52.86 51.43 1rkj s ASN 15 Cb -0.03 -2.11 -0.06 0.00 1.28 0.00 0.00 41.25 40.33 1rkj s ASN 15 CO 0.69 0.36 -0.14 -0.22 -2.04 0.00 0.00 177.10 175.75 1rkj s LEU 16 N -0.86 2.67 0.04 3.54 2.96 0.73 -4.05 118.68 123.71 1rkj s LEU 16 Ca 0.16 -1.13 0.03 0.00 -0.22 0.00 0.00 54.13 52.97 1rkj s LEU 16 Cb -0.13 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1rkj s LEU 16 CO 0.05 -0.11 -0.09 0.12 -1.32 0.00 0.00 176.35 175.01 1rkj s PHE 17 N -2.58 0.74 0.27 5.38 2.19 0.15 -2.19 117.98 121.95 1rkj s PHE 17 Ca 0.31 -0.41 0.11 0.00 0.33 0.00 0.00 56.93 57.27 1rkj s PHE 17 Cb -0.00 -0.44 -0.05 0.00 -1.31 0.00 0.00 43.02 41.21 1rkj s PHE 17 CO 0.16 -0.05 -0.10 0.42 1.83 0.00 0.00 175.22 177.48 1rkj s ILE 18 N -1.10 2.97 0.13 3.12 -1.09 -0.94 -1.97 121.20 122.31 1rkj s ILE 18 Ca -0.06 -2.15 -0.03 0.00 -2.23 0.00 0.00 60.65 56.17 1rkj s ILE 18 Cb -0.08 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 1rkj s ILE 18 CO 0.01 -0.38 0.10 -0.83 -1.23 0.00 0.00 174.94 172.61 1rkj s GLY 19 N -3.60 0.78 0.00 6.18 0.00 -0.51 -2.23 107.32 107.94 1rkj s GLY 19 Ca 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1rkj s GLY 19 CO 0.18 -1.21 0.00 -2.01 0.00 0.00 0.00 173.10 170.05 1rkj n ASN 20 N -0.10 0.00 -0.11 1.64 5.15 -1.26 -2.08 115.26 118.50 1rkj n ASN 20 Ca -0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.89 1rkj n ASN 20 Cb 0.63 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.88 1rkj n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rkj n LEU 21 N 0.00 0.69 -1.94 1.20 4.77 -1.26 -3.98 117.00 116.47 1rkj n LEU 21 Ca 0.00 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1rkj n LEU 21 Cb 0.00 -2.26 -0.01 0.00 -2.33 0.00 0.00 43.42 38.82 1rkj n LEU 21 CO 0.00 -0.87 -0.23 -3.20 -1.33 0.00 0.00 177.39 171.76 1rkj n ASN 22 N -0.87 -2.83 -3.48 -1.43 5.15 -1.26 -4.81 115.26 105.73 1rkj n ASN 22 Ca -0.01 0.53 -0.36 0.00 -0.60 0.00 0.00 54.58 54.14 1rkj n ASN 22 Cb 0.45 -2.65 -0.03 0.00 -0.53 0.00 0.00 39.78 37.01 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rkj n PRO 23 N 0.46 2.06 0.00 1.20 -0.04 -1.26 -4.31 135.00 133.11 1rkj n PRO 23 Ca -0.08 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1rkj n PRO 23 Cb 0.13 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 1rkj n PRO 23 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rkj n ASN 24 N 5.96 0.00 -3.44 3.54 2.85 -1.26 -5.11 115.26 117.80 1rkj n ASN 24 Ca 0.51 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.79 1rkj n ASN 24 Cb 0.31 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.50 1rkj n ASN 24 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1rkj n LYS 25 N 0.00 -2.97 -2.41 1.20 2.85 -1.26 -4.81 118.16 110.76 1rkj n LYS 25 Ca 0.00 -0.88 -0.42 0.00 -1.05 0.00 0.00 58.31 55.96 1rkj n LYS 25 Cb 0.00 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.80 1rkj n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1rkj s SER 26 N -2.26 6.20 0.37 -5.58 1.04 -1.26 -4.86 113.70 107.35 1rkj s SER 26 Ca 0.41 0.35 0.25 0.00 0.48 0.00 0.00 55.95 57.44 1rkj s SER 26 Cb -0.07 -2.55 1.29 0.00 0.10 0.00 0.00 66.02 64.79 1rkj s SER 26 CO 0.34 -1.64 1.40 0.55 0.98 0.00 0.00 173.24 174.87 1rkj n VAL 27 N 6.87 -0.28 -0.30 5.02 3.14 -1.23 0.24 118.33 131.79 1rkj n VAL 27 Ca 0.13 1.68 0.35 0.00 -2.96 0.00 0.00 64.34 63.53 1rkj n VAL 27 Cb 0.49 -2.74 0.71 0.00 -1.06 0.00 0.00 33.84 31.24 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rkj h ALA 28 N 1.55 3.06 -0.09 1.55 0.00 -1.89 0.81 119.26 124.25 1rkj h ALA 28 Ca 0.78 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.60 1rkj h ALA 28 Cb 2.35 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 1rkj h ALA 28 CO -0.51 -1.55 -0.13 0.93 0.00 0.00 0.00 179.25 177.99 1rkj h GLU 29 N 0.00 0.24 -0.47 0.00 4.39 0.27 -2.55 114.58 116.46 1rkj h GLU 29 Ca 0.55 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 60.00 1rkj h GLU 29 Cb 2.44 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 31.09 1rkj h GLU 29 CO -0.01 0.71 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.33 1rkj h LEU 30 N -0.21 0.90 0.09 1.33 3.38 0.31 -1.95 115.31 119.16 1rkj h LEU 30 Ca 0.01 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1rkj h LEU 30 Cb 0.69 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1rkj h LEU 30 CO 0.03 1.05 -0.33 0.50 0.09 0.00 0.00 178.44 179.78 1rkj h LYS 31 N 0.80 -0.52 -0.43 1.13 3.64 -0.39 -1.29 116.57 119.50 1rkj h LYS 31 Ca 0.12 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1rkj h LYS 31 Cb 0.69 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1rkj h LYS 31 CO 0.05 -0.34 0.19 0.28 -2.27 0.00 0.00 179.45 177.35 1rkj h VAL 32 N -0.54 1.16 -0.03 2.00 2.07 -1.41 -1.89 116.25 117.61 1rkj h VAL 32 Ca 0.04 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1rkj h VAL 32 Cb 0.58 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1rkj h VAL 32 CO -0.21 0.19 -0.38 0.00 0.02 0.00 0.00 177.57 177.18 1rkj h ALA 33 N 1.60 -0.57 -0.18 1.67 0.00 -0.45 0.18 119.26 121.52 1rkj h ALA 33 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rkj h ALA 33 Cb 0.10 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1rkj h ALA 33 CO -0.02 -0.90 0.06 0.82 0.00 0.00 0.00 179.25 179.21 1rkj h ILE 34 N -0.52 1.08 0.23 0.00 5.03 -1.07 -2.42 117.51 119.85 1rkj h ILE 34 Ca 0.06 -0.27 -0.01 0.00 -0.12 0.00 0.00 64.86 64.52 1rkj h ILE 34 Cb 0.62 0.89 -0.00 0.00 -3.03 0.00 0.00 36.82 35.29 1rkj h ILE 34 CO -0.32 0.10 -0.17 0.28 -0.68 0.00 0.00 178.15 177.36 1rkj h SER 35 N 0.24 -0.44 -0.96 1.72 0.02 0.07 -0.87 113.55 113.33 1rkj h SER 35 Ca 0.06 0.03 0.26 0.00 -0.84 0.00 0.00 61.79 61.30 1rkj h SER 35 Cb 0.08 0.13 -0.13 0.00 0.14 0.00 0.00 62.40 62.62 1rkj h SER 35 CO -0.01 -0.24 0.49 -0.33 -1.14 0.00 0.00 176.83 175.60 1rkj h GLU 36 N -0.38 0.41 0.34 3.45 5.08 -0.78 -0.34 114.58 122.35 1rkj h GLU 36 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rkj h GLU 36 Cb 0.32 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1rkj h GLU 36 CO 0.01 0.27 -0.47 1.25 -1.00 0.00 0.00 179.01 179.08 1rkj h LEU 37 N 0.42 -1.31 -1.92 1.33 7.12 -1.02 0.49 115.31 120.42 1rkj h LEU 37 Ca 0.64 0.12 0.25 0.00 0.13 0.00 0.00 57.88 59.02 1rkj h LEU 37 Cb 1.29 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 41.83 1rkj h LEU 37 CO -0.55 -0.59 0.64 -0.26 -0.13 0.00 0.00 178.44 177.55 1rkj h PHE 38 N -0.85 0.09 0.01 1.25 -1.00 0.35 0.12 116.94 116.91 1rkj h PHE 38 Ca -0.03 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 1rkj h PHE 38 Cb 0.78 -0.03 0.01 0.00 3.61 0.00 0.00 35.95 40.33 1rkj h PHE 38 CO -0.30 0.02 -0.62 0.00 -1.61 0.00 0.00 178.31 175.80 1rkj h ALA 39 N 1.57 0.06 -0.28 2.45 0.00 -0.32 0.65 119.26 123.39 1rkj h ALA 39 Ca 0.43 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1rkj h ALA 39 Cb 1.62 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 1rkj h ALA 39 CO -0.04 0.36 -0.43 0.87 0.00 0.00 0.00 179.25 180.01 1rkj h LYS 40 N -0.12 -0.39 0.13 0.00 1.57 0.26 -2.26 116.57 115.76 1rkj h LYS 40 Ca -0.08 0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.45 1rkj h LYS 40 Cb 1.35 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.75 1rkj h LYS 40 CO 0.12 -0.26 -1.25 -0.97 -0.57 0.00 0.00 179.45 176.52 1rkj h ASN 41 N -0.41 0.46 0.00 0.86 -1.24 -1.56 -3.48 115.58 110.21 1rkj h ASN 41 Ca 0.11 -0.48 0.00 0.00 0.71 0.00 0.00 56.30 56.63 1rkj h ASN 41 Cb 0.60 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1rkj h ASN 41 CO -0.49 1.37 0.00 -0.67 -1.29 0.00 0.00 177.43 176.35 1rkj n ASP 42 N -3.55 -1.29 -0.48 1.15 2.03 0.22 -4.94 116.55 109.70 1rkj n ASP 42 Ca -0.09 0.00 0.39 0.00 0.52 0.00 0.00 54.79 55.61 1rkj n ASP 42 Cb 1.02 -0.21 0.65 0.00 -0.72 0.00 0.00 41.12 41.86 1rkj n ASP 42 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rkj n LEU 43 N 0.00 0.15 -0.75 -2.67 4.32 -0.51 -4.76 117.00 112.78 1rkj n LEU 43 Ca 0.00 1.20 0.00 0.00 -0.02 0.00 0.00 56.01 57.19 1rkj n LEU 43 Cb 0.00 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.21 1rkj n LEU 43 CO 0.00 -1.29 0.00 0.00 -1.22 0.00 0.00 177.39 174.88 1rkj n ALA 44 N -2.59 -0.10 -1.09 -1.18 0.00 -1.25 -4.73 120.51 109.58 1rkj n ALA 44 Ca 0.38 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.36 1rkj n ALA 44 Cb 1.52 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 20.53 1rkj n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rkj n VAL 45 N -0.75 0.00 0.25 0.00 3.14 -1.26 -4.62 118.33 115.08 1rkj n VAL 45 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1rkj n VAL 45 Cb 0.33 -0.41 -0.06 0.00 -1.06 0.00 0.00 33.84 32.64 1rkj n VAL 45 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1rkj h VAL 46 N 6.01 0.08 -4.20 1.55 2.07 -1.67 -3.45 116.25 116.63 1rkj h VAL 46 Ca -0.07 -0.49 -0.69 0.00 0.82 0.00 0.00 66.70 66.26 1rkj h VAL 46 Cb 1.16 0.12 -0.25 0.00 -1.52 0.00 0.00 31.29 30.79 1rkj h VAL 46 CO 0.96 0.02 -0.80 -0.62 0.02 0.00 0.00 177.57 177.15 1rkj s ASP 47 N -4.76 3.75 -0.15 0.57 -1.08 -0.98 -4.86 116.67 109.16 1rkj s ASP 47 Ca -0.11 -0.27 -0.04 0.00 -0.52 0.00 0.00 52.55 51.60 1rkj s ASP 47 Cb 0.01 -0.70 0.05 0.00 -1.46 0.00 0.00 42.92 40.83 1rkj s ASP 47 CO 0.34 0.34 0.08 -0.69 0.52 0.00 0.00 175.17 175.76 1rkj s VAL 48 N -0.70 -0.02 0.01 1.11 1.01 -1.26 -1.74 120.40 118.81 1rkj s VAL 48 Ca 0.11 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1rkj s VAL 48 Cb -0.10 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1rkj s VAL 48 CO 0.00 -0.19 0.36 -0.60 0.00 0.00 0.00 175.10 174.67 1rkj s ARG 49 N 2.11 0.78 0.45 2.72 3.00 0.41 -5.01 118.95 123.41 1rkj s ARG 49 Ca 0.02 -0.25 0.07 0.00 -1.00 0.00 0.00 55.73 54.57 1rkj s ARG 49 Cb -0.15 0.35 -0.01 0.00 0.00 0.00 0.00 34.95 35.13 1rkj s ARG 49 CO -0.08 -0.24 0.34 0.95 0.00 0.00 0.00 175.30 176.28 1rkj s THR 50 N -1.79 2.32 -0.48 4.11 -4.23 -1.26 -1.20 115.64 113.10 1rkj s THR 50 Ca -0.10 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1rkj s THR 50 Cb -0.03 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 71.16 1rkj s THR 50 CO 0.02 0.00 0.25 -0.83 -0.54 0.00 0.00 174.62 173.52 1rkj s GLY 51 N -4.12 2.11 0.00 3.99 0.00 0.15 -4.82 107.32 104.63 1rkj s GLY 51 Ca 0.43 -2.98 0.00 0.00 0.00 0.00 0.00 44.72 42.17 1rkj s GLY 51 CO 0.25 1.24 0.00 2.41 0.00 0.00 0.00 173.10 177.00 1rkj n THR 52 N 3.30 0.00 0.00 0.90 -1.04 -1.26 -2.25 114.28 113.93 1rkj n THR 52 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1rkj n THR 52 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1rkj n THR 52 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1rkj n ASN 53 N 3.84 0.00 0.00 8.00 5.15 -1.26 -4.92 115.26 126.07 1rkj n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1rkj n ASN 53 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1rkj n ASN 53 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1rkj n ARG 54 N 0.00 0.00 0.00 1.20 1.85 -1.26 -3.57 116.66 114.88 1rkj n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1rkj n ARG 54 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1rkj n ARG 54 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1rkj n LYS 55 N 0.00 0.00 -4.12 2.89 3.00 -1.00 -4.47 118.16 114.47 1rkj n LYS 55 Ca 0.00 0.47 -0.12 0.00 -0.00 0.00 0.00 58.31 58.66 1rkj n LYS 55 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 35.03 33.60 1rkj n LYS 55 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1rkj s PHE 56 N -2.44 0.90 0.35 5.64 -0.12 -0.95 -4.12 117.98 117.24 1rkj s PHE 56 Ca 0.00 -1.15 0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1rkj s PHE 56 Cb 0.00 -0.23 -0.07 0.00 -0.63 0.00 0.00 43.02 42.09 1rkj s PHE 56 CO 0.00 -0.86 -0.07 0.20 -0.05 0.00 0.00 175.22 174.44 1rkj s GLY 57 N -3.13 2.24 -0.27 1.99 0.00 -0.95 0.31 107.32 107.51 1rkj s GLY 57 Ca 0.32 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 42.75 1rkj s GLY 57 CO 0.13 -2.03 0.67 -0.47 0.00 0.00 0.00 173.10 171.40 1rkj s TYR 58 N -2.67 -1.00 0.15 1.90 6.14 -0.34 -2.22 117.35 119.31 1rkj s TYR 58 Ca 0.33 2.05 -0.21 0.00 0.64 0.00 0.00 57.07 59.88 1rkj s TYR 58 Cb 0.04 0.57 0.06 0.00 0.42 0.00 0.00 41.96 43.04 1rkj s TYR 58 CO 0.17 -0.50 0.54 0.14 0.64 0.00 0.00 175.55 176.54 1rkj s VAL 59 N 1.46 0.02 0.12 3.14 -7.23 -0.93 -0.44 120.40 116.54 1rkj s VAL 59 Ca -0.09 -0.22 0.10 0.00 -1.81 0.00 0.00 61.98 59.97 1rkj s VAL 59 Cb -0.05 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1rkj s VAL 59 CO -0.17 -0.10 -0.26 -1.81 -0.31 0.00 0.00 175.10 172.45 1rkj s ASP 60 N -2.77 3.13 0.49 4.85 1.01 -0.71 -0.19 116.67 122.48 1rkj s ASP 60 Ca 0.02 -0.73 0.06 0.00 0.71 0.00 0.00 52.55 52.62 1rkj s ASP 60 Cb -0.00 -0.21 0.04 0.00 1.01 0.00 0.00 42.92 43.76 1rkj s ASP 60 CO -0.12 0.16 0.68 -0.36 0.21 0.00 0.00 175.17 175.74 1rkj s PHE 61 N -1.07 2.49 -0.14 4.23 0.40 0.17 -1.99 117.98 122.08 1rkj s PHE 61 Ca 0.12 -0.37 0.17 0.00 -0.60 0.00 0.00 56.93 56.26 1rkj s PHE 61 Cb -0.10 -2.47 -0.08 0.00 0.51 0.00 0.00 43.02 40.88 1rkj s PHE 61 CO 0.05 -0.73 0.98 1.49 0.70 0.00 0.00 175.22 177.72 1rkj h GLU 62 N 0.36 0.00 0.00 0.44 4.81 -1.83 -3.42 114.58 114.94 1rkj h GLU 62 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1rkj h GLU 62 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1rkj h GLU 62 CO 0.45 0.30 0.00 0.45 -0.73 0.00 0.00 179.01 179.49 1rkj n SER 63 N -2.94 0.00 0.22 1.04 2.88 -1.26 -4.92 113.62 108.63 1rkj n SER 63 Ca -0.06 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.59 1rkj n SER 63 Cb 0.79 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.86 1rkj n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj h ALA 64 N 0.00 1.14 -1.65 -1.46 0.00 -1.96 0.08 119.26 115.41 1rkj h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rkj h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rkj h ALA 64 CO 0.00 -0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.20 1rkj n GLU 65 N -2.39 0.00 -0.34 0.00 4.07 -1.26 -1.52 120.64 119.20 1rkj n GLU 65 Ca -0.02 0.23 0.03 0.00 -0.06 0.00 0.00 57.16 57.34 1rkj n GLU 65 Cb 0.21 -0.88 0.18 0.00 -0.06 0.00 0.00 31.44 30.89 1rkj n GLU 65 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1rkj h ASP 66 N 0.00 0.91 -0.36 4.31 2.03 -1.84 -1.70 116.42 119.78 1rkj h ASP 66 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1rkj h ASP 66 Cb 0.00 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.32 1rkj h ASP 66 CO 0.00 0.55 0.24 0.25 -1.03 0.00 0.00 179.24 179.25 1rkj h LEU 67 N 1.03 0.41 -0.53 0.15 6.46 -1.13 -2.27 115.31 119.42 1rkj h LEU 67 Ca 0.43 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.27 1rkj h LEU 67 Cb 0.27 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 1rkj h LEU 67 CO -0.21 0.29 0.12 -0.33 -0.62 0.00 0.00 178.44 177.70 1rkj h GLU 68 N 0.48 0.26 -0.16 1.25 4.39 -0.36 -1.80 114.58 118.64 1rkj h GLU 68 Ca 0.13 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1rkj h GLU 68 Cb -0.05 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1rkj h GLU 68 CO -0.03 0.17 -0.06 0.87 -1.16 0.00 0.00 179.01 178.80 1rkj h LYS 69 N 0.27 -0.04 -0.48 2.33 6.56 -1.05 -0.84 116.57 123.31 1rkj h LYS 69 Ca 0.27 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.96 1rkj h LYS 69 Cb 0.36 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 31.93 1rkj h LYS 69 CO -0.33 -0.03 -0.18 0.00 -2.06 0.00 0.00 179.45 176.85 1rkj h ALA 70 N 1.11 0.21 -0.15 3.86 0.00 -0.79 0.26 119.26 123.76 1rkj h ALA 70 Ca 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1rkj h ALA 70 Cb 0.17 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1rkj h ALA 70 CO -0.19 -0.51 -0.02 1.25 0.00 0.00 0.00 179.25 179.78 1rkj h LEU 71 N -0.07 0.20 -1.45 0.00 7.12 -0.96 -1.58 115.31 118.56 1rkj h LEU 71 Ca 0.23 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.17 1rkj h LEU 71 Cb 0.43 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 1rkj h LEU 71 CO -0.54 0.27 -0.19 -0.33 -0.13 0.00 0.00 178.44 177.52 1rkj h GLU 72 N 0.22 0.12 -5.03 1.25 4.39 0.91 -3.40 114.58 113.04 1rkj h GLU 72 Ca 0.05 -0.03 -0.65 0.00 0.34 0.00 0.00 59.36 59.08 1rkj h GLU 72 Cb 0.20 -0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 28.67 1rkj h GLU 72 CO 0.01 0.31 -0.28 -0.51 -1.16 0.00 0.00 179.01 177.39 1rkj s LEU 73 N -8.63 4.26 0.03 1.33 2.01 -0.60 -5.01 118.68 112.07 1rkj s LEU 73 Ca -0.04 -0.02 -0.28 0.00 0.01 0.00 0.00 54.13 53.79 1rkj s LEU 73 Cb 0.15 -2.36 -0.15 0.00 0.01 0.00 0.00 46.19 43.84 1rkj s LEU 73 CO 0.72 -0.27 0.72 0.41 1.01 0.00 0.00 176.35 178.94 1rkj n THR 74 N 5.20 0.28 -0.11 5.49 -1.04 -1.26 -4.57 114.28 118.26 1rkj n THR 74 Ca -0.09 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.05 61.81 1rkj n THR 74 Cb 0.50 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1rkj n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rkj n GLY 75 N 1.19 -0.12 0.19 3.41 0.00 -1.26 -4.82 105.19 103.77 1rkj n GLY 75 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1rkj n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rkj h LEU 76 N 0.09 -0.63 -2.15 0.99 7.12 -1.92 -3.49 115.31 115.32 1rkj h LEU 76 Ca -0.02 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1rkj h LEU 76 Cb 0.11 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1rkj h LEU 76 CO 0.04 -0.22 0.00 0.29 -0.13 0.00 0.00 178.44 178.43 1rkj n LYS 77 N -3.63 0.00 -0.08 1.25 5.02 -1.26 -4.83 118.16 114.63 1rkj n LYS 77 Ca -0.03 0.36 0.06 0.00 -2.02 0.00 0.00 58.31 56.67 1rkj n LYS 77 Cb 0.16 -0.87 0.11 0.00 -0.02 0.00 0.00 35.03 34.41 1rkj n LYS 77 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1rkj n VAL 78 N -0.15 -0.10 0.00 -0.18 0.24 -1.26 -4.52 118.33 112.36 1rkj n VAL 78 Ca 0.00 0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.80 1rkj n VAL 78 Cb 0.00 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1rkj n VAL 78 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rkj n PHE 79 N -3.78 0.00 -2.75 6.34 3.72 -1.26 -4.75 117.46 114.99 1rkj n PHE 79 Ca 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.44 1rkj n PHE 79 Cb 0.25 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.84 1rkj n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rkj n GLY 80 N 0.00 2.21 0.61 1.37 0.00 -1.26 -4.80 105.19 103.32 1rkj n GLY 80 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1rkj n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkj n ASN 81 N -0.55 0.09 -0.94 1.61 5.03 -1.26 -5.14 115.26 114.08 1rkj n ASN 81 Ca 0.11 -1.87 0.10 0.00 0.87 0.00 0.00 54.58 53.79 1rkj n ASN 81 Cb 0.82 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 39.37 1rkj n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rkj n GLU 82 N 0.05 -1.68 -4.08 3.52 1.02 -1.26 -4.85 120.64 113.35 1rkj n GLU 82 Ca 0.00 1.21 -0.10 0.00 -0.02 0.00 0.00 57.16 58.24 1rkj n GLU 82 Cb 0.72 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1rkj s ILE 83 N -2.62 0.02 -0.24 -3.67 -4.36 -1.26 -4.48 121.20 104.59 1rkj s ILE 83 Ca 0.00 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.60 1rkj s ILE 83 Cb 0.00 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1rkj s ILE 83 CO 0.00 -0.09 0.21 -0.75 0.24 0.00 0.00 174.94 174.54 1rkj s LYS 84 N -4.07 4.07 -0.26 0.37 2.20 -0.88 -4.97 119.74 116.20 1rkj s LYS 84 Ca 0.28 -0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 55.60 1rkj s LYS 84 Cb 0.04 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1rkj s LYS 84 CO 0.08 0.00 0.16 -0.51 -0.36 0.00 0.00 175.35 174.72 1rkj s LEU 85 N 1.22 3.95 0.21 5.43 1.02 -1.26 -1.43 118.68 127.82 1rkj s LEU 85 Ca 0.09 -0.00 -0.19 0.00 0.02 0.00 0.00 54.13 54.05 1rkj s LEU 85 Cb -0.14 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.03 1rkj s LEU 85 CO 0.06 -0.00 0.58 -0.70 0.02 0.00 0.00 176.35 176.31 1rkj s GLU 86 N 1.45 1.47 0.52 1.70 2.12 -0.83 -5.03 118.70 120.10 1rkj s GLU 86 Ca 0.07 -0.84 0.07 0.00 0.36 0.00 0.00 54.97 54.63 1rkj s GLU 86 Cb -0.15 0.55 0.05 0.00 0.26 0.00 0.00 34.13 34.85 1rkj s GLU 86 CO 0.07 -0.64 0.72 0.15 -0.54 0.00 0.00 175.26 175.02 1rkj s LYS 87 N -3.87 2.49 0.57 4.30 1.02 -1.26 0.31 119.74 123.30 1rkj s LYS 87 Ca 0.09 -1.32 -0.18 0.00 0.02 0.00 0.00 55.97 54.57 1rkj s LYS 87 Cb -0.02 -2.65 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1rkj s LYS 87 CO -0.02 -0.65 0.36 -2.30 -0.92 0.00 0.00 175.35 171.81 1rkj n PRO 88 N -2.15 0.37 -0.04 -1.68 -0.02 -1.26 -4.49 135.00 125.74 1rkj n PRO 88 Ca 0.12 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1rkj n PRO 88 Cb 0.60 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1rkj n PRO 88 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1rkj n LYS 89 N 0.30 0.22 0.00 -0.52 3.00 -1.26 -5.03 118.16 114.87 1rkj n LYS 89 Ca 0.10 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1rkj n LYS 89 Cb 0.48 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.63 1rkj n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rkj n GLY 90 N 2.47 0.79 3.54 3.14 0.00 -1.26 -5.14 105.19 108.72 1rkj n GLY 90 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1rkj n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rkj s ARG 91 N -1.58 0.48 -0.95 1.61 6.06 -1.26 -5.08 118.95 118.23 1rkj s ARG 91 Ca 0.00 1.19 -0.01 0.00 -2.50 0.00 0.00 55.73 54.41 1rkj s ARG 91 Cb 0.00 0.71 0.30 0.00 0.06 0.00 0.00 34.95 36.02 1rkj s ARG 91 CO 0.00 -0.18 1.35 -0.25 -2.50 0.00 0.00 175.30 173.71 1rkj n ASP 92 N 5.29 5.90 -2.22 -2.12 8.00 -1.26 -5.03 116.55 125.11 1rkj n ASP 92 Ca -0.11 -3.48 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1rkj n ASP 92 Cb 0.50 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1rkj n ASP 92 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rkj n SER 93 N 0.93 -0.27 -1.14 -2.24 7.64 -1.26 -4.71 113.62 112.57 1rkj n SER 93 Ca 0.30 -0.79 0.12 0.00 1.01 0.00 0.00 58.87 59.51 1rkj n SER 93 Cb 0.34 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1rkj n SER 93 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rkj n LYS 94 N -1.06 -2.22 0.00 1.43 4.76 -1.26 -4.45 118.16 115.37 1rkj n LYS 94 Ca 0.00 1.79 0.00 0.00 -2.87 0.00 0.00 58.31 57.23 1rkj n LYS 94 Cb 0.00 -2.77 0.00 0.00 -1.84 0.00 0.00 35.03 30.42 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1rkj n LYS 95 N -3.86 0.00 0.05 1.97 3.00 -1.26 -4.13 118.16 113.93 1rkj n LYS 95 Ca -0.06 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.45 1rkj n LYS 95 Cb 0.49 0.00 0.55 0.00 0.00 0.00 0.00 35.03 36.07 1rkj n LYS 95 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1rkj h VAL 96 N 0.00 0.13 0.00 3.15 -1.51 -1.84 -3.44 116.25 112.74 1rkj h VAL 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1rkj h VAL 96 Cb 0.00 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 1rkj h VAL 96 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.88 1rkj n ARG 97 N -3.26 0.00 -0.35 5.19 1.74 -1.26 -1.54 116.66 117.18 1rkj n ARG 97 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1rkj n ARG 97 Cb 0.97 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.41 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rkj n ALA 98 N 0.00 1.70 0.00 7.54 0.00 -1.26 -4.97 120.51 123.52 1rkj n ALA 98 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1rkj n ALA 98 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1rkj n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkj n ALA 99 N 0.00 0.00 -3.45 0.00 0.00 -0.59 -1.22 120.51 115.25 1rkj n ALA 99 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1rkj n ALA 99 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1rkj n ALA 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1rkj n ARG 100 N 0.00 0.97 -4.24 0.00 1.85 -1.26 -0.15 116.66 113.84 1rkj n ARG 100 Ca 0.00 -3.66 -0.15 0.00 -1.00 0.00 0.00 57.85 53.04 1rkj n ARG 100 Cb 0.00 -1.77 -0.09 0.00 -1.05 0.00 0.00 32.46 29.55 1rkj n ARG 100 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1rkj s THR 101 N -0.91 0.01 -0.06 8.89 -4.23 -0.36 -2.19 115.64 116.80 1rkj s THR 101 Ca 0.33 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1rkj s THR 101 Cb 0.07 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1rkj s THR 101 CO -0.15 0.00 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.61 1rkj s LEU 102 N -3.25 1.62 -0.14 4.79 0.20 0.22 0.32 118.68 122.44 1rkj s LEU 102 Ca 0.40 -0.26 -0.10 0.00 0.69 0.00 0.00 54.13 54.86 1rkj s LEU 102 Cb 0.05 -0.74 -0.05 0.00 -0.43 0.00 0.00 46.19 45.03 1rkj s LEU 102 CO 0.18 0.03 0.18 -0.22 -0.29 0.00 0.00 176.35 176.23 1rkj s LEU 103 N 0.62 4.32 -0.24 -0.68 0.20 0.12 -0.22 118.68 122.80 1rkj s LEU 103 Ca -0.12 0.44 0.02 0.00 0.69 0.00 0.00 54.13 55.16 1rkj s LEU 103 Cb -0.15 -2.16 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 1rkj s LEU 103 CO 0.03 0.28 -0.11 0.00 -0.29 0.00 0.00 176.35 176.26 1rkj s ALA 104 N -0.37 2.37 0.59 5.97 0.00 0.18 -0.91 121.76 129.59 1rkj s ALA 104 Ca 0.14 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 50.61 1rkj s ALA 104 Cb -0.12 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.62 1rkj s ALA 104 CO 0.03 -1.03 0.81 0.15 0.00 0.00 0.00 175.76 175.72 1rkj s LYS 105 N 1.21 2.24 -0.46 0.00 3.01 0.20 0.88 119.74 126.83 1rkj s LYS 105 Ca -0.06 -1.47 0.00 0.00 -1.01 0.00 0.00 55.97 53.43 1rkj s LYS 105 Cb -0.18 -2.59 0.00 0.00 -1.01 0.00 0.00 37.83 34.04 1rkj s LYS 105 CO -0.07 -0.91 0.00 0.09 0.51 0.00 0.00 175.35 174.97 1rkj n ASN 106 N -2.32 -4.47 -4.60 2.83 4.13 -1.09 -0.53 115.26 109.20 1rkj n ASN 106 Ca 0.15 0.11 -0.43 0.00 1.68 0.00 0.00 54.58 56.09 1rkj n ASN 106 Cb 0.61 -2.35 -0.02 0.00 -1.54 0.00 0.00 39.78 36.47 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1rkj s LEU 107 N -0.99 3.52 0.23 3.41 0.20 -0.54 -4.73 118.68 119.78 1rkj s LEU 107 Ca 0.00 1.10 -0.30 0.00 0.69 0.00 0.00 54.13 55.62 1rkj s LEU 107 Cb 0.00 -3.48 -0.15 0.00 -0.43 0.00 0.00 46.19 42.12 1rkj s LEU 107 CO 0.00 -1.64 0.97 -0.24 -0.29 0.00 0.00 176.35 175.16 1rkj n SER 108 N 9.85 0.81 -3.11 3.68 2.88 -1.26 -4.61 113.62 121.86 1rkj n SER 108 Ca 0.20 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.78 1rkj n SER 108 Cb 0.47 -1.19 -0.01 0.00 -0.75 0.00 0.00 64.21 62.73 1rkj n SER 108 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1rkj n PHE 109 N 0.64 0.65 0.19 0.66 3.72 -1.26 -2.83 117.46 119.23 1rkj n PHE 109 Ca 0.13 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.35 1rkj n PHE 109 Cb 0.28 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 1rkj n PHE 109 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1rkj n ASN 110 N 4.87 -3.40 -3.32 4.37 5.15 -1.26 -5.14 115.26 116.52 1rkj n ASN 110 Ca 0.23 0.82 -0.30 0.00 -0.60 0.00 0.00 54.58 54.72 1rkj n ASN 110 Cb 0.08 3.25 0.03 0.00 -0.53 0.00 0.00 39.78 42.62 1rkj n ASN 110 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1rkj n ILE 111 N -3.34 0.00 -3.97 -1.44 2.08 -1.13 -5.00 119.36 106.56 1rkj n ILE 111 Ca 0.00 -0.41 -0.12 0.00 0.56 0.00 0.00 62.75 62.78 1rkj n ILE 111 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 1rkj n ILE 111 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1rkj s THR 112 N -1.65 0.00 0.41 1.39 -4.23 -1.26 -5.00 115.64 105.29 1rkj s THR 112 Ca 0.34 -1.33 0.33 0.00 -1.18 0.00 0.00 61.69 59.85 1rkj s THR 112 Cb -0.17 -2.73 0.50 0.00 1.34 0.00 0.00 72.50 71.44 1rkj s THR 112 CO 0.68 0.00 1.30 -0.62 -0.54 0.00 0.00 174.62 175.43 1rkj n GLU 113 N -0.55 -0.02 0.00 3.99 1.02 -1.26 -1.15 120.64 122.67 1rkj n GLU 113 Ca -0.03 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1rkj n GLU 113 Cb 0.61 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1rkj n GLU 113 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rkj n ASP 114 N -4.05 0.00 -0.12 1.62 9.92 -1.26 0.15 116.55 122.81 1rkj n ASP 114 Ca 0.35 0.85 -0.10 0.00 -0.53 0.00 0.00 54.79 55.36 1rkj n ASP 114 Cb 1.46 -0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 41.57 1rkj n ASP 114 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1rkj h GLU 115 N 0.00 0.61 0.00 -1.24 4.39 -1.54 -0.50 114.58 116.30 1rkj h GLU 115 Ca 0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1rkj h GLU 115 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1rkj h GLU 115 CO 0.00 0.71 0.00 -0.11 -1.16 0.00 0.00 179.01 178.45 1rkj n LEU 116 N -4.53 0.00 0.14 1.33 7.94 -0.70 -1.01 117.00 120.17 1rkj n LEU 116 Ca -0.02 0.65 0.18 0.00 -1.11 0.00 0.00 56.01 55.72 1rkj n LEU 116 Cb 0.25 -0.15 0.77 0.00 0.53 0.00 0.00 43.42 44.82 1rkj n LEU 116 CO 0.39 -0.15 1.16 0.50 -1.11 0.00 0.00 177.39 178.18 1rkj h LYS 117 N 0.00 0.00 -0.70 1.96 3.64 -0.41 0.15 116.57 121.22 1rkj h LYS 117 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1rkj h LYS 117 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1rkj h LYS 117 CO 0.00 0.00 0.46 1.49 -2.27 0.00 0.00 179.45 179.13 1rkj h GLU 118 N 0.00 0.89 0.00 1.90 4.57 -0.15 -1.64 114.58 120.15 1rkj h GLU 118 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1rkj h GLU 118 Cb 0.72 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1rkj h GLU 118 CO -0.00 0.59 -0.68 -0.24 -1.18 0.00 0.00 179.01 177.50 1rkj h VAL 119 N 0.92 0.00 -1.41 0.32 3.04 0.79 -3.47 116.25 116.43 1rkj h VAL 119 Ca 0.26 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1rkj h VAL 119 Cb -0.07 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1rkj h VAL 119 CO -0.06 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.99 1rkj n PHE 120 N -2.61 0.00 0.00 3.17 3.72 -0.62 -4.88 117.46 116.24 1rkj n PHE 120 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1rkj n PHE 120 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1rkj n PHE 120 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1rkj n GLU 121 N 0.00 0.00 -0.50 -1.08 2.13 -1.25 -4.83 120.64 115.11 1rkj n GLU 121 Ca 0.00 0.00 0.38 0.00 0.66 0.00 0.00 57.16 58.20 1rkj n GLU 121 Cb 0.00 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.31 1rkj n GLU 121 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1rkj n ASP 122 N 0.00 0.04 -4.68 4.31 9.92 -1.26 -4.27 116.55 120.62 1rkj n ASP 122 Ca 0.00 0.84 -0.42 0.00 -0.53 0.00 0.00 54.79 54.68 1rkj n ASP 122 Cb 0.00 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rkj s ALA 123 N -4.54 3.66 0.09 2.24 0.00 -1.26 -4.64 121.76 117.31 1rkj s ALA 123 Ca -0.04 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.22 1rkj s ALA 123 Cb 0.21 -3.76 -0.21 0.00 0.00 0.00 0.00 23.12 19.37 1rkj s ALA 123 CO 0.67 -1.32 1.18 -0.07 0.00 0.00 0.00 175.76 176.23 1rkj h LEU 124 N 9.49 0.00 -8.22 0.00 3.38 -1.53 -3.46 115.31 114.97 1rkj h LEU 124 Ca -0.44 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.05 1rkj h LEU 124 Cb 1.21 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.67 1rkj h LEU 124 CO 0.94 0.99 -0.81 -0.70 0.09 0.00 0.00 178.44 178.95 1rkj s GLU 125 N -2.70 1.10 -0.08 1.13 2.12 -0.93 -5.04 118.70 114.30 1rkj s GLU 125 Ca 0.00 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.82 1rkj s GLU 125 Cb 0.10 -1.07 0.01 0.00 0.26 0.00 0.00 34.13 33.42 1rkj s GLU 125 CO 0.82 0.29 -0.19 0.42 -0.54 0.00 0.00 175.26 176.06 1rkj s ILE 126 N -0.41 1.66 0.27 -3.70 1.01 -1.26 0.10 121.20 118.87 1rkj s ILE 126 Ca 0.05 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1rkj s ILE 126 Cb -0.06 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1rkj s ILE 126 CO -0.00 0.47 0.22 -0.13 0.00 0.00 0.00 174.94 175.50 1rkj s ARG 127 N 0.48 1.52 0.10 2.79 0.52 0.15 -4.97 118.95 119.54 1rkj s ARG 127 Ca -0.17 -1.85 -0.11 0.00 -0.52 0.00 0.00 55.73 53.08 1rkj s ARG 127 Cb -0.17 0.30 0.01 0.00 0.52 0.00 0.00 34.95 35.61 1rkj s ARG 127 CO 0.07 -0.54 0.26 -0.48 0.02 0.00 0.00 175.30 174.62 1rkj s LEU 128 N -3.28 1.09 -0.08 2.53 2.34 -1.26 0.30 118.68 120.31 1rkj s LEU 128 Ca 0.40 -0.54 0.04 0.00 0.06 0.00 0.00 54.13 54.09 1rkj s LEU 128 Cb 0.04 1.30 0.00 0.00 -0.56 0.00 0.00 46.19 46.97 1rkj s LEU 128 CO 0.21 -0.77 -0.21 -0.69 -1.06 0.00 0.00 176.35 173.83 1rkj s VAL 129 N -3.84 1.82 0.00 1.48 1.01 0.53 -4.76 120.40 116.65 1rkj s VAL 129 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1rkj s VAL 129 Cb 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1rkj s VAL 129 CO -0.11 0.51 0.00 -0.24 0.00 0.00 0.00 175.10 175.26 1rkj n SER 130 N 3.46 0.00 -3.60 3.32 2.88 -1.26 -2.16 113.62 116.27 1rkj n SER 130 Ca -0.19 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.18 1rkj n SER 130 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1rkj n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rkj s GLN 131 N 0.00 0.94 0.00 -1.46 1.03 -1.26 -4.51 119.66 114.40 1rkj s GLN 131 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 55.36 55.48 1rkj s GLN 131 Cb 0.00 0.44 0.00 0.00 0.03 0.00 0.00 33.01 33.48 1rkj s GLN 131 CO 0.00 -0.29 0.00 -3.47 -2.54 0.00 0.00 175.29 168.99 1rkj n ASP 132 N 0.97 0.00 -1.80 12.60 2.03 -1.26 -4.56 116.55 124.53 1rkj n ASP 132 Ca -0.20 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.00 1rkj n ASP 132 Cb 0.57 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.98 1rkj n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rkj n GLY 133 N 0.00 3.49 2.94 0.27 0.00 -1.26 -4.89 105.19 105.73 1rkj n GLY 133 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1rkj n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rkj n LYS 134 N 0.91 -0.52 -0.48 1.61 5.02 -1.26 -4.62 118.16 118.82 1rkj n LYS 134 Ca 0.21 0.83 0.06 0.00 -2.02 0.00 0.00 58.31 57.40 1rkj n LYS 134 Cb 0.57 -0.85 -0.02 0.00 -0.02 0.00 0.00 35.03 34.71 1rkj n LYS 134 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rkj n SER 135 N 1.64 -6.80 0.00 4.39 7.64 -1.26 -4.97 113.62 114.26 1rkj n SER 135 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1rkj n SER 135 Cb 0.32 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1rkj n SER 135 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1rkj n LYS 136 N -2.72 0.00 -3.15 1.43 4.81 -1.26 -4.38 118.16 112.89 1rkj n LYS 136 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1rkj n LYS 136 Cb 0.22 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.32 1rkj n LYS 136 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rkj n GLY 137 N 0.00 0.05 3.62 3.14 0.00 -1.21 -4.73 105.19 106.05 1rkj n GLY 137 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1rkj n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rkj s ILE 138 N -3.19 3.55 -0.23 -0.61 1.01 -0.92 -1.47 121.20 119.34 1rkj s ILE 138 Ca 0.35 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1rkj s ILE 138 Cb -0.15 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.67 1rkj s ILE 138 CO 0.44 0.02 0.02 0.00 0.00 0.00 0.00 174.94 175.42 1rkj s ALA 139 N -1.45 1.45 -0.49 9.38 0.00 0.26 -0.34 121.76 130.57 1rkj s ALA 139 Ca 0.24 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1rkj s ALA 139 Cb -0.10 -1.36 0.07 0.00 0.00 0.00 0.00 23.12 21.72 1rkj s ALA 139 CO 0.16 -1.29 0.49 -0.47 0.00 0.00 0.00 175.76 174.65 1rkj s TYR 140 N 1.64 3.17 -0.22 0.00 6.14 0.15 0.51 117.35 128.74 1rkj s TYR 140 Ca -0.00 -0.81 -0.08 0.00 0.64 0.00 0.00 57.07 56.81 1rkj s TYR 140 Cb -0.18 -3.35 -0.04 0.00 0.42 0.00 0.00 41.96 38.81 1rkj s TYR 140 CO -0.11 -0.90 0.10 0.42 0.64 0.00 0.00 175.55 175.70 1rkj s ILE 141 N 2.01 4.82 -0.01 3.14 1.09 0.69 0.30 121.20 133.23 1rkj s ILE 141 Ca 0.08 -0.01 -0.07 0.00 -1.10 0.00 0.00 60.65 59.55 1rkj s ILE 141 Cb -0.23 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 37.90 1rkj s ILE 141 CO 0.08 0.38 0.25 -0.70 -0.10 0.00 0.00 174.94 174.86 1rkj s GLU 142 N 0.99 3.57 0.00 2.79 2.12 0.11 0.69 118.70 128.98 1rkj s GLU 142 Ca 0.05 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1rkj s GLU 142 Cb -0.14 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1rkj s GLU 142 CO 0.03 0.67 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.30 1rkj s PHE 143 N -1.26 0.56 0.30 5.30 0.40 -0.93 -1.80 117.98 120.55 1rkj s PHE 143 Ca 0.26 -0.16 0.23 0.00 -0.60 0.00 0.00 56.93 56.66 1rkj s PHE 143 Cb -0.13 -0.35 1.00 0.00 0.51 0.00 0.00 43.02 44.05 1rkj s PHE 143 CO 0.15 -0.02 1.02 1.17 0.70 0.00 0.00 175.22 178.24 1rkj n LYS 144 N 2.71 -0.02 -3.46 0.44 4.81 -1.26 -4.42 118.16 116.95 1rkj n LYS 144 Ca -0.14 0.80 -0.14 0.00 -0.87 0.00 0.00 58.31 57.96 1rkj n LYS 144 Cb 0.57 -1.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 1rkj n LYS 144 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1rkj s SER 145 N -4.30 -0.59 0.39 3.14 1.04 -1.26 -4.97 113.70 107.14 1rkj s SER 145 Ca -0.05 0.23 0.14 0.00 0.48 0.00 0.00 55.95 56.75 1rkj s SER 145 Cb 0.20 0.58 0.96 0.00 0.10 0.00 0.00 66.02 67.86 1rkj s SER 145 CO 0.54 -0.85 1.85 1.05 0.98 0.00 0.00 173.24 176.82 1rkj h GLU 146 N 2.34 0.52 -0.84 4.02 9.09 -1.77 -2.48 114.58 125.47 1rkj h GLU 146 Ca -0.32 -0.03 0.12 0.00 0.05 0.00 0.00 59.36 59.18 1rkj h GLU 146 Cb 1.25 -0.12 -0.13 0.00 -1.65 0.00 0.00 28.75 28.11 1rkj h GLU 146 CO 0.39 0.34 -0.37 0.00 0.05 0.00 0.00 179.01 179.42 1rkj n ALA 147 N -2.47 -0.21 0.19 1.06 0.00 -1.26 0.19 120.51 118.00 1rkj n ALA 147 Ca 0.19 0.80 -0.14 0.00 0.00 0.00 0.00 53.44 54.29 1rkj n ALA 147 Cb 0.61 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1rkj n ALA 147 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rkj h ASP 148 N 0.00 -0.38 -0.42 0.00 3.32 -1.83 -2.17 116.42 114.94 1rkj h ASP 148 Ca 0.25 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1rkj h ASP 148 Cb 0.46 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.01 1rkj h ASP 148 CO -0.82 -0.16 -0.32 0.00 -1.72 0.00 0.00 179.24 176.22 1rkj h ALA 149 N 0.03 -0.16 -0.62 3.45 0.00 -0.76 -0.47 119.26 120.74 1rkj h ALA 149 Ca -0.05 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1rkj h ALA 149 Cb 0.43 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1rkj h ALA 149 CO 0.08 -0.71 0.25 1.49 0.00 0.00 0.00 179.25 180.35 1rkj h GLU 150 N -0.24 0.43 0.00 0.00 4.81 -0.23 0.28 114.58 119.62 1rkj h GLU 150 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1rkj h GLU 150 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1rkj h GLU 150 CO -0.55 0.28 0.00 1.17 -0.73 0.00 0.00 179.01 179.19 1rkj n LYS 151 N -4.97 0.00 0.33 1.92 4.81 -0.27 -0.63 118.16 119.35 1rkj n LYS 151 Ca 0.09 0.43 0.16 0.00 -0.87 0.00 0.00 58.31 58.12 1rkj n LYS 151 Cb 0.26 -1.29 0.88 0.00 0.02 0.00 0.00 35.03 34.90 1rkj n LYS 151 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rkj h ASN 152 N 0.00 0.00 0.37 3.14 4.21 -1.31 -1.11 115.58 120.88 1rkj h ASN 152 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1rkj h ASN 152 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1rkj h ASN 152 CO 0.00 0.00 -0.18 0.25 -1.29 0.00 0.00 177.43 176.21 1rkj h LEU 153 N 0.00 -0.42 -1.03 1.61 5.85 0.23 -1.22 115.31 120.32 1rkj h LEU 153 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1rkj h LEU 153 Cb 0.51 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1rkj h LEU 153 CO 0.00 0.03 0.00 -0.33 -0.34 0.00 0.00 178.44 177.80 1rkj h GLU 154 N -1.05 0.00 0.00 1.25 4.39 -0.15 0.48 114.58 119.50 1rkj h GLU 154 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1rkj h GLU 154 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1rkj h GLU 154 CO 0.08 0.00 -0.04 0.93 -1.16 0.00 0.00 179.01 178.83 1rkj h GLU 155 N 0.00 0.00 0.00 2.33 4.39 -1.24 -3.38 114.58 116.67 1rkj h GLU 155 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1rkj h GLU 155 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1rkj h GLU 155 CO 0.00 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.72 1rkj h LYS 156 N -0.27 0.00 0.00 2.33 6.56 -1.31 -3.48 116.57 120.40 1rkj h LYS 156 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1rkj h LYS 156 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1rkj h LYS 156 CO 0.00 0.00 0.00 0.94 -2.06 0.00 0.00 179.45 178.33 1rkj n GLN 157 N -2.60 0.00 -1.53 3.15 -0.06 0.17 -2.44 117.38 114.07 1rkj n GLN 157 Ca 0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.63 1rkj n GLN 157 Cb 0.44 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.58 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rkj n GLY 158 N 0.00 2.81 3.74 1.69 0.00 -1.23 -4.79 105.19 107.41 1rkj n GLY 158 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1rkj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkj s ALA 159 N 5.33 3.50 -0.14 4.61 0.00 -1.02 -3.87 121.76 130.17 1rkj s ALA 159 Ca 0.56 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 1rkj s ALA 159 Cb 0.11 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1rkj s ALA 159 CO 0.07 -0.51 2.31 0.39 0.00 0.00 0.00 175.76 178.02 1rkj n GLU 160 N 2.29 1.53 -0.05 0.00 1.02 -1.26 -2.52 120.64 121.65 1rkj n GLU 160 Ca 0.05 -0.86 -0.01 0.00 -0.02 0.00 0.00 57.16 56.31 1rkj n GLU 160 Cb 0.43 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1rkj n GLU 160 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1rkj n ILE 161 N 1.22 -0.07 -0.65 -3.67 -0.00 -1.26 0.19 119.36 115.11 1rkj n ILE 161 Ca 0.20 1.29 -0.17 0.00 -0.00 0.00 0.00 62.75 64.07 1rkj n ILE 161 Cb 0.59 -1.70 0.07 0.00 -0.00 0.00 0.00 39.64 38.61 1rkj n ILE 161 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1rkj n ASP 162 N -3.10 5.19 -4.02 4.38 2.03 -1.26 -4.84 116.55 114.93 1rkj n ASP 162 Ca 0.00 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 51.94 1rkj n ASP 162 Cb 0.03 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 1rkj n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rkj n GLY 163 N -0.15 -0.36 0.00 0.27 0.00 0.50 -4.83 105.19 100.62 1rkj n GLY 163 Ca 0.35 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1rkj n GLY 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 164 N -4.49 0.22 -2.82 1.61 3.00 -1.26 -5.06 116.66 107.86 1rkj n ARG 164 Ca -0.27 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.85 57.45 1rkj n ARG 164 Cb 0.66 -0.53 -0.02 0.00 0.00 0.00 0.00 32.46 32.57 1rkj n ARG 164 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1rkj n SER 165 N -0.06 -4.19 -4.74 6.15 3.41 -1.26 -4.88 113.62 108.05 1rkj n SER 165 Ca 0.00 1.16 -0.41 0.00 -0.26 0.00 0.00 58.87 59.37 1rkj n SER 165 Cb 0.14 -3.84 -0.05 0.00 -0.26 0.00 0.00 64.21 60.20 1rkj n SER 165 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rkj s VAL 166 N -0.65 4.05 -0.73 -3.33 0.11 -1.05 -4.69 120.40 114.12 1rkj s VAL 166 Ca -0.14 1.90 -0.13 0.00 -2.93 0.00 0.00 61.98 60.68 1rkj s VAL 166 Cb 0.01 -4.21 0.19 0.00 -1.53 0.00 0.00 36.38 30.84 1rkj s VAL 166 CO 0.49 0.38 0.65 -0.44 -3.33 0.00 0.00 175.10 172.85 1rkj s SER 167 N -0.60 6.40 0.08 3.54 0.01 0.31 -3.58 113.70 119.86 1rkj s SER 167 Ca 0.45 -2.50 -0.02 0.00 1.31 0.00 0.00 55.95 55.19 1rkj s SER 167 Cb -0.27 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1rkj s SER 167 CO 0.33 -0.61 0.27 -1.48 0.41 0.00 0.00 173.24 172.17 1rkj s LEU 168 N 0.47 4.33 -0.12 2.44 0.05 -1.26 0.63 118.68 125.22 1rkj s LEU 168 Ca 0.14 0.39 -0.26 0.00 0.05 0.00 0.00 54.13 54.45 1rkj s LEU 168 Cb -0.16 -3.05 0.06 0.00 -2.05 0.00 0.00 46.19 40.99 1rkj s LEU 168 CO -0.06 0.14 0.64 -0.31 -0.55 0.00 0.00 176.35 176.21 1rkj s TYR 169 N -1.54 -0.64 -0.64 3.48 2.02 -0.09 -4.93 117.35 115.01 1rkj s TYR 169 Ca 0.36 1.28 -0.17 0.00 -0.37 0.00 0.00 57.07 58.18 1rkj s TYR 169 Cb -0.13 0.32 0.14 0.00 -0.40 0.00 0.00 41.96 41.89 1rkj s TYR 169 CO 0.26 -0.49 0.66 1.52 -1.57 0.00 0.00 175.55 175.93 1rkj s TYR 170 N -0.63 3.25 -0.50 2.71 1.13 -1.26 -0.71 117.35 121.34 1rkj s TYR 170 Ca -0.07 -1.32 -0.01 0.00 -1.41 0.00 0.00 57.07 54.26 1rkj s TYR 170 Cb -0.02 -3.91 0.13 0.00 -1.10 0.00 0.00 41.96 37.06 1rkj s TYR 170 CO 0.06 -1.14 0.29 -0.08 -2.51 0.00 0.00 175.55 172.17 1rkj s THR 171 N 1.76 3.27 0.00 -3.49 -1.32 0.15 -4.94 115.64 111.07 1rkj s THR 171 Ca 0.10 -2.61 0.00 0.00 -1.21 0.00 0.00 61.69 57.97 1rkj s THR 171 Cb -0.23 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 1rkj s THR 171 CO 0.01 -0.77 0.00 0.61 -2.21 0.00 0.00 174.62 172.26 1rkj n GLY 172 N 3.92 2.45 3.05 6.08 0.00 -1.20 -2.46 105.19 117.04 1rkj n GLY 172 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1rkj n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkj s GLU 173 N -0.69 0.47 0.01 1.61 8.01 0.79 -3.59 118.70 125.30 1rkj s GLU 173 Ca 0.00 -0.81 -0.19 0.00 0.01 0.00 0.00 54.97 53.98 1rkj s GLU 173 Cb 0.00 0.17 -0.27 0.00 -4.31 0.00 0.00 34.13 29.72 1rkj s GLU 173 CO 0.00 -0.09 1.05 0.87 0.01 0.00 0.00 175.26 177.10 1rkj h LYS 174 N 3.98 0.45 0.00 1.61 1.79 -1.94 -3.45 116.57 119.02 1rkj h LYS 174 Ca -0.33 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1rkj h LYS 174 Cb 1.18 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1rkj h LYS 174 CO 0.50 1.21 0.00 0.41 -1.08 0.00 0.00 179.45 180.50