#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkj s SER 2 N 0.00 -0.23 0.10 1.61 0.15 -1.26 -5.16 113.70 108.90 1rkj s SER 2 Ca 0.00 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.60 1rkj s SER 2 Cb 0.00 1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 65.41 1rkj s SER 2 CO 0.00 -0.04 0.43 -1.00 1.20 0.00 0.00 173.24 173.83 1rkj s HIS 3 N 2.98 3.58 -0.36 3.44 0.09 -1.26 -5.03 115.29 118.73 1rkj s HIS 3 Ca 0.21 0.83 0.13 0.00 -0.00 0.00 0.00 55.06 56.23 1rkj s HIS 3 Cb -0.03 -2.20 0.37 0.00 -0.00 0.00 0.00 32.58 30.73 1rkj s HIS 3 CO -0.19 0.49 0.78 -0.12 -0.00 0.00 0.00 174.74 175.71 1rkj n MET 4 N 0.84 1.00 0.20 1.40 0.00 -1.26 -4.92 117.12 114.39 1rkj n MET 4 Ca -0.07 -3.32 0.05 0.00 0.00 0.00 0.00 57.70 54.36 1rkj n MET 4 Cb 0.52 -1.60 0.43 0.00 0.00 0.00 0.00 33.22 32.57 1rkj n MET 4 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1rkj h VAL 5 N 1.42 1.06 0.00 1.12 -1.51 -1.91 -3.43 116.25 113.00 1rkj h VAL 5 Ca 0.06 -1.17 -0.36 0.00 -1.23 0.00 0.00 66.70 64.00 1rkj h VAL 5 Cb 1.01 1.66 -0.09 0.00 -2.13 0.00 0.00 31.29 31.74 1rkj h VAL 5 CO 0.49 0.31 1.67 -1.84 -1.23 0.00 0.00 177.57 176.97 1rkj n GLU 6 N -3.92 0.00 -0.34 5.19 0.28 -1.26 -3.69 120.64 116.90 1rkj n GLU 6 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1rkj n GLU 6 Cb 0.39 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 32.21 1rkj n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rkj n GLY 7 N 5.13 -0.41 0.63 -1.84 0.00 -1.26 -5.08 105.19 102.36 1rkj n GLY 7 Ca 0.58 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1rkj n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rkj n SER 8 N 0.00 -3.39 -1.91 1.61 7.64 -1.24 -4.98 113.62 111.34 1rkj n SER 8 Ca 0.00 0.67 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 1rkj n SER 8 Cb 0.00 -1.99 0.03 0.00 -1.01 0.00 0.00 64.21 61.25 1rkj n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1rkj n GLU 9 N -2.75 -2.29 -1.45 1.43 4.07 -1.26 -4.76 120.64 113.64 1rkj n GLU 9 Ca -0.03 0.31 0.05 0.00 -0.06 0.00 0.00 57.16 57.44 1rkj n GLU 9 Cb 0.27 -3.68 -0.03 0.00 -0.06 0.00 0.00 31.44 27.94 1rkj n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1rkj n SER 10 N -1.81 -7.06 0.14 4.31 3.41 -1.26 -4.69 113.62 106.65 1rkj n SER 10 Ca -0.10 1.49 0.12 0.00 -0.26 0.00 0.00 58.87 60.11 1rkj n SER 10 Cb 0.56 -4.59 0.08 0.00 -0.26 0.00 0.00 64.21 60.00 1rkj n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkj h THR 11 N -0.42 0.00 -1.98 6.66 1.03 -1.91 -3.46 112.91 112.84 1rkj h THR 11 Ca -0.06 -0.94 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1rkj h THR 11 Cb 0.96 1.62 -0.21 0.00 -1.07 0.00 0.00 68.15 69.45 1rkj h THR 11 CO 0.02 0.00 0.07 0.28 -0.01 0.00 0.00 175.52 175.89 1rkj s THR 12 N -3.29 0.00 0.54 0.00 -1.32 -1.26 -4.98 115.64 105.33 1rkj s THR 12 Ca 0.03 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.76 1rkj s THR 12 Cb 0.09 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.46 1rkj s THR 12 CO 0.74 0.00 2.01 -0.65 -2.21 0.00 0.00 174.62 174.51 1rkj h PRO 13 N 6.26 0.00 -4.04 7.08 0.11 -1.91 -3.43 132.00 136.07 1rkj h PRO 13 Ca -0.30 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.45 1rkj h PRO 13 Cb 1.20 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1rkj h PRO 13 CO 0.12 0.00 1.51 1.19 -0.21 0.00 0.00 178.00 180.61 1rkj n PHE 14 N -4.25 0.28 -4.39 0.65 3.72 -1.26 -4.84 117.46 107.36 1rkj n PHE 14 Ca 0.08 0.19 -0.29 0.00 -0.05 0.00 0.00 57.45 57.38 1rkj n PHE 14 Cb 0.54 -1.33 -0.07 0.00 -0.94 0.00 0.00 39.48 37.68 1rkj n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rkj s ASN 15 N 4.43 4.28 -0.17 4.37 2.20 -1.26 0.56 114.94 129.34 1rkj s ASN 15 Ca 1.09 -1.38 -0.23 0.00 -0.94 0.00 0.00 52.86 51.39 1rkj s ASN 15 Cb -0.89 0.12 0.06 0.00 -2.00 0.00 0.00 41.25 38.54 1rkj s ASN 15 CO 0.42 -0.77 0.60 -0.76 -2.94 0.00 0.00 177.10 173.65 1rkj s LEU 16 N -3.95 -0.32 -0.11 3.54 2.01 0.17 -4.59 118.68 115.43 1rkj s LEU 16 Ca 0.25 1.03 -0.09 0.00 0.01 0.00 0.00 54.13 55.33 1rkj s LEU 16 Cb 0.03 2.14 -0.04 0.00 0.01 0.00 0.00 46.19 48.32 1rkj s LEU 16 CO 0.14 -0.32 0.18 0.12 1.01 0.00 0.00 176.35 177.48 1rkj s PHE 17 N -0.15 3.59 -0.09 0.29 2.19 -0.31 -1.65 117.98 121.85 1rkj s PHE 17 Ca -0.04 0.57 -0.05 0.00 0.33 0.00 0.00 56.93 57.75 1rkj s PHE 17 Cb -0.03 -2.02 0.04 0.00 -1.31 0.00 0.00 43.02 39.69 1rkj s PHE 17 CO 0.03 0.66 0.21 0.42 1.83 0.00 0.00 175.22 178.37 1rkj s ILE 18 N -0.84 -0.04 0.13 3.12 1.01 -0.93 -0.91 121.20 122.74 1rkj s ILE 18 Ca 0.15 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.98 1rkj s ILE 18 Cb -0.13 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1rkj s ILE 18 CO 0.05 0.06 -0.06 -0.83 0.00 0.00 0.00 174.94 174.16 1rkj s GLY 19 N 1.17 0.98 -0.29 6.18 0.00 -0.12 0.52 107.32 115.76 1rkj s GLY 19 Ca -0.09 -1.46 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 1rkj s GLY 19 CO -0.07 -1.52 0.21 -2.01 0.00 0.00 0.00 173.10 169.71 1rkj n ASN 20 N -0.14 -6.72 -0.03 1.64 5.15 -1.26 0.26 115.26 114.16 1rkj n ASN 20 Ca -0.10 0.81 -0.03 0.00 -0.60 0.00 0.00 54.58 54.66 1rkj n ASN 20 Cb 0.61 -4.43 -0.01 0.00 -0.53 0.00 0.00 39.78 35.42 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 0.15 0.77 0.00 1.20 4.32 -1.26 -4.05 117.00 118.13 1rkj n LEU 21 Ca 0.04 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1rkj n LEU 21 Cb 0.16 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1rkj n LEU 21 CO 0.36 -0.44 0.00 -3.20 -1.22 0.00 0.00 177.39 172.90 1rkj n ASN 22 N -3.27 0.00 -2.32 -1.43 2.85 -1.26 -4.83 115.26 105.00 1rkj n ASN 22 Ca -0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.31 1rkj n ASN 22 Cb 0.19 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.10 1rkj n ASN 22 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1rkj n PRO 23 N 0.00 1.58 0.10 1.20 -0.04 -1.26 -3.41 135.00 133.17 1rkj n PRO 23 Ca 0.00 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1rkj n PRO 23 Cb 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 2.86 -1.42 0.00 3.54 2.85 -1.26 -5.04 115.26 116.79 1rkj n ASN 24 Ca 0.34 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 55.19 1rkj n ASN 24 Cb 0.57 1.52 0.00 0.00 1.24 0.00 0.00 39.78 43.11 1rkj n ASN 24 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1rkj n LYS 25 N -2.97 0.00 0.00 1.20 5.02 -1.22 -5.01 118.16 115.18 1rkj n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rkj n LYS 25 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1rkj n LYS 25 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rkj n SER 26 N -0.28 0.00 -0.29 4.39 7.64 -1.26 -5.03 113.62 118.79 1rkj n SER 26 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1rkj n SER 26 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1rkj n SER 26 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1rkj n VAL 27 N 0.00 -0.47 -0.27 0.44 3.14 -1.26 0.75 118.33 120.66 1rkj n VAL 27 Ca 0.00 1.88 0.09 0.00 -2.96 0.00 0.00 64.34 63.35 1rkj n VAL 27 Cb 0.00 -2.34 0.19 0.00 -1.06 0.00 0.00 33.84 30.63 1rkj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rkj n ALA 28 N -3.28 0.33 -0.05 1.55 0.00 -1.26 0.18 120.51 117.98 1rkj n ALA 28 Ca 0.01 0.84 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 1rkj n ALA 28 Cb 0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 1rkj n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rkj h GLU 29 N 0.00 0.63 -0.29 0.00 5.08 -0.07 -2.60 114.58 117.33 1rkj h GLU 29 Ca 0.44 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1rkj h GLU 29 Cb 0.84 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1rkj h GLU 29 CO -0.76 1.07 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.06 1rkj h LEU 30 N 0.29 -0.63 0.34 1.33 3.38 0.40 0.33 115.31 120.76 1rkj h LEU 30 Ca -0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1rkj h LEU 30 Cb 1.10 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1rkj h LEU 30 CO 0.10 -0.23 -0.24 0.07 0.09 0.00 0.00 178.44 178.23 1rkj h LYS 31 N -0.17 -0.56 -0.38 1.13 2.10 -0.66 -2.37 116.57 115.67 1rkj h LYS 31 Ca 0.15 0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.92 1rkj h LYS 31 Cb 0.40 0.13 -0.08 0.00 -0.90 0.00 0.00 32.23 31.78 1rkj h LYS 31 CO -0.39 -0.37 -0.16 0.28 -2.00 0.00 0.00 179.45 176.81 1rkj h VAL 32 N -0.58 0.49 -0.77 0.07 2.07 -1.01 0.55 116.25 117.07 1rkj h VAL 32 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1rkj h VAL 32 Cb 0.49 0.49 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1rkj h VAL 32 CO 0.01 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.52 1rkj h ALA 33 N 1.21 0.68 -0.11 1.67 0.00 -0.09 2.58 119.26 125.20 1rkj h ALA 33 Ca 0.19 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1rkj h ALA 33 Cb 0.38 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rkj h ALA 33 CO -0.44 -0.43 0.08 0.97 0.00 0.00 0.00 179.25 179.43 1rkj h ILE 34 N 0.05 0.95 0.00 0.00 6.09 -0.42 -2.26 117.51 121.92 1rkj h ILE 34 Ca 0.40 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.89 1rkj h ILE 34 Cb 0.68 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1rkj h ILE 34 CO -0.74 0.00 0.00 -0.24 -3.07 0.00 0.00 178.15 174.11 1rkj n SER 35 N -4.51 0.00 -0.27 2.19 2.88 0.85 -1.61 113.62 113.15 1rkj n SER 35 Ca -0.00 0.51 0.25 0.00 -1.33 0.00 0.00 58.87 58.30 1rkj n SER 35 Cb 0.18 -0.14 0.45 0.00 -0.75 0.00 0.00 64.21 63.96 1rkj n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rkj n GLU 36 N -0.91 -0.04 0.08 -1.46 1.02 -0.32 0.23 120.64 119.25 1rkj n GLU 36 Ca 0.00 1.00 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1rkj n GLU 36 Cb 0.00 -1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 29.51 1rkj n GLU 36 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rkj h LEU 37 N 0.00 -0.13 -2.09 -4.62 7.12 -1.39 -1.70 115.31 112.51 1rkj h LEU 37 Ca 0.63 -0.14 0.08 0.00 0.13 0.00 0.00 57.88 58.58 1rkj h LEU 37 Cb 1.78 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.93 1rkj h LEU 37 CO -0.51 0.06 0.34 -0.26 -0.13 0.00 0.00 178.44 177.94 1rkj h PHE 38 N -0.32 0.00 0.03 1.25 0.04 0.39 -0.37 116.94 117.96 1rkj h PHE 38 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1rkj h PHE 38 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 1rkj h PHE 38 CO -0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 178.31 177.37 1rkj h ALA 39 N 1.58 -0.00 0.00 2.45 0.00 -0.65 -2.24 119.26 120.40 1rkj h ALA 39 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1rkj h ALA 39 Cb 0.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rkj h ALA 39 CO -0.00 0.14 -0.18 0.87 0.00 0.00 0.00 179.25 180.08 1rkj h LYS 40 N -0.58 0.00 -0.15 0.00 1.57 -0.29 -1.21 116.57 115.90 1rkj h LYS 40 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1rkj h LYS 40 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rkj h LYS 40 CO 0.06 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 179.21 1rkj n ASN 41 N -3.75 1.11 0.00 0.86 4.13 -0.29 -4.91 115.26 112.41 1rkj n ASN 41 Ca -0.02 -1.74 0.00 0.00 1.68 0.00 0.00 54.58 54.50 1rkj n ASN 41 Cb 0.28 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 1rkj n ASN 41 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1rkj n ASP 42 N 0.00 0.00 -4.58 6.41 -0.08 -0.46 -4.90 116.55 112.95 1rkj n ASP 42 Ca 0.13 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.24 1rkj n ASP 42 Cb 0.22 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.57 1rkj n ASP 42 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1rkj s LEU 43 N 0.00 2.49 0.65 -2.67 0.05 -0.85 -4.70 118.68 113.65 1rkj s LEU 43 Ca 0.00 -1.06 0.20 0.00 0.05 0.00 0.00 54.13 53.32 1rkj s LEU 43 Cb 0.00 -2.59 1.08 0.00 -2.05 0.00 0.00 46.19 42.63 1rkj s LEU 43 CO 0.00 -4.47 1.60 0.00 -0.55 0.00 0.00 176.35 172.93 1rkj h ALA 44 N 11.33 1.69 -3.42 1.48 0.00 -1.82 -3.35 119.26 125.18 1rkj h ALA 44 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1rkj h ALA 44 Cb 0.99 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1rkj h ALA 44 CO 1.05 -0.64 -0.82 1.55 0.00 0.00 0.00 179.25 180.38 1rkj n VAL 45 N -2.86 -2.18 0.08 0.00 3.14 -1.26 -4.71 118.33 110.53 1rkj n VAL 45 Ca 0.01 1.14 -0.04 0.00 -2.96 0.00 0.00 64.34 62.49 1rkj n VAL 45 Cb 0.65 -1.88 -0.02 0.00 -1.06 0.00 0.00 33.84 31.53 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 -0.05 0.00 -2.61 1.55 2.07 -1.09 -3.44 116.25 112.68 1rkj h VAL 46 Ca -0.02 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.06 1rkj h VAL 46 Cb 0.83 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1rkj h VAL 46 CO 0.01 0.00 0.46 -1.81 0.02 0.00 0.00 177.57 176.24 1rkj s ASP 47 N -4.57 -0.08 -0.10 0.57 1.11 -0.96 -4.95 116.67 107.69 1rkj s ASP 47 Ca -0.04 -0.68 -0.03 0.00 0.18 0.00 0.00 52.55 51.98 1rkj s ASP 47 Cb 0.00 0.59 0.05 0.00 1.07 0.00 0.00 42.92 44.63 1rkj s ASP 47 CO 0.12 -1.14 0.14 0.68 1.18 0.00 0.00 175.17 176.14 1rkj s VAL 48 N -2.72 -0.21 -0.05 -1.27 -7.23 -1.26 -0.19 120.40 107.48 1rkj s VAL 48 Ca 0.16 0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.64 1rkj s VAL 48 Cb -0.03 -0.34 -0.00 0.00 0.56 0.00 0.00 36.38 36.57 1rkj s VAL 48 CO 0.06 0.07 -0.17 0.00 -0.31 0.00 0.00 175.10 174.75 1rkj s ARG 49 N 2.25 1.79 0.49 4.82 1.70 0.18 -4.96 118.95 125.22 1rkj s ARG 49 Ca 0.04 -0.60 0.08 0.00 -0.47 0.00 0.00 55.73 54.78 1rkj s ARG 49 Cb -0.13 -1.55 0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1rkj s ARG 49 CO -0.06 0.23 0.62 0.95 -1.08 0.00 0.00 175.30 175.95 1rkj s THR 50 N 0.08 2.49 -0.28 4.99 -4.23 -1.26 -0.12 115.64 117.31 1rkj s THR 50 Ca -0.05 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1rkj s THR 50 Cb -0.12 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1rkj s THR 50 CO 0.02 0.00 0.06 -0.83 -0.54 0.00 0.00 174.62 173.33 1rkj s GLY 51 N -4.44 1.16 0.32 3.99 0.00 -0.27 -4.88 107.32 103.20 1rkj s GLY 51 Ca 0.55 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1rkj s GLY 51 CO 0.34 1.40 0.00 2.41 0.00 0.00 0.00 173.10 177.24 1rkj n THR 52 N 4.78 -3.79 -0.78 0.90 -1.04 -1.26 -2.09 114.28 111.00 1rkj n THR 52 Ca -0.04 1.55 -0.14 0.00 -2.04 0.00 0.00 64.05 63.38 1rkj n THR 52 Cb 0.43 -2.18 -0.11 0.00 -1.82 0.00 0.00 70.33 66.65 1rkj n THR 52 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1rkj n ASN 53 N -0.77 -0.54 0.00 8.00 4.13 -1.26 -1.73 115.26 123.09 1rkj n ASN 53 Ca 0.00 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1rkj n ASN 53 Cb 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1rkj n ASN 53 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1rkj n ARG 54 N 3.25 0.00 0.00 3.52 1.74 -1.26 -4.87 116.66 119.04 1rkj n ARG 54 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1rkj n ARG 54 Cb 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 1rkj n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rkj n LYS 55 N 0.00 0.00 -4.26 5.56 4.01 -0.71 -4.35 118.16 118.42 1rkj n LYS 55 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 1rkj n LYS 55 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 1rkj n LYS 55 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1rkj s PHE 56 N 0.00 1.52 0.07 2.13 2.19 -0.89 -4.73 117.98 118.27 1rkj s PHE 56 Ca 0.00 -1.53 0.00 0.00 0.33 0.00 0.00 56.93 55.73 1rkj s PHE 56 Cb 0.00 -0.67 -0.04 0.00 -1.31 0.00 0.00 43.02 41.00 1rkj s PHE 56 CO 0.00 -0.76 -0.05 0.20 1.83 0.00 0.00 175.22 176.45 1rkj s GLY 57 N -3.29 0.61 0.03 13.12 0.00 0.18 -1.12 107.32 116.86 1rkj s GLY 57 Ca 0.40 -1.28 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 1rkj s GLY 57 CO 0.21 -1.38 0.54 -0.47 0.00 0.00 0.00 173.10 172.00 1rkj s TYR 58 N -3.77 -0.46 -0.02 1.90 5.04 0.83 -2.19 117.35 118.68 1rkj s TYR 58 Ca 0.09 0.58 -0.29 0.00 -2.44 0.00 0.00 57.07 55.01 1rkj s TYR 58 Cb 0.07 0.36 0.08 0.00 0.35 0.00 0.00 41.96 42.81 1rkj s TYR 58 CO -0.07 -0.64 0.72 0.14 -1.34 0.00 0.00 175.55 174.36 1rkj s VAL 59 N -2.22 0.00 0.06 3.14 -7.23 -0.66 0.47 120.40 113.97 1rkj s VAL 59 Ca -0.06 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1rkj s VAL 59 Cb -0.01 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1rkj s VAL 59 CO 0.00 0.00 0.01 -1.81 -0.31 0.00 0.00 175.10 172.99 1rkj s ASP 60 N -1.56 5.08 0.43 4.85 1.01 0.74 0.43 116.67 127.65 1rkj s ASP 60 Ca -0.07 -0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.14 1rkj s ASP 60 Cb -0.00 -1.25 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 1rkj s ASP 60 CO 0.03 0.20 0.27 -0.36 0.21 0.00 0.00 175.17 175.52 1rkj s PHE 61 N -1.26 2.48 0.23 4.23 0.40 0.19 -0.72 117.98 123.54 1rkj s PHE 61 Ca 0.24 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 1rkj s PHE 61 Cb -0.12 -2.01 0.21 0.00 0.51 0.00 0.00 43.02 41.61 1rkj s PHE 61 CO 0.16 -0.00 1.53 0.93 0.70 0.00 0.00 175.22 178.54 1rkj h GLU 62 N 1.21 0.09 0.00 0.44 5.08 -1.88 -3.37 114.58 116.15 1rkj h GLU 62 Ca -0.42 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1rkj h GLU 62 Cb 1.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1rkj h GLU 62 CO 0.64 0.75 0.00 0.45 -1.00 0.00 0.00 179.01 179.85 1rkj n SER 63 N -3.75 0.00 -0.10 1.42 2.88 -1.26 -4.92 113.62 107.89 1rkj n SER 63 Ca -0.02 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.77 1rkj n SER 63 Cb 0.68 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.62 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 2.71 -0.20 -1.46 0.00 -1.97 0.16 119.26 118.50 1rkj h ALA 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rkj h ALA 64 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rkj h ALA 64 CO 0.00 -1.46 0.00 -1.91 0.00 0.00 0.00 179.25 175.88 1rkj n GLU 65 N -3.27 0.00 -0.31 0.00 4.07 -1.26 -1.11 120.64 118.76 1rkj n GLU 65 Ca 0.18 0.47 0.07 0.00 -0.06 0.00 0.00 57.16 57.81 1rkj n GLU 65 Cb 1.30 -1.21 0.27 0.00 -0.06 0.00 0.00 31.44 31.74 1rkj n GLU 65 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rkj h ASP 66 N 0.00 0.85 -0.44 4.31 3.32 -1.61 -1.41 116.42 121.45 1rkj h ASP 66 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rkj h ASP 66 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1rkj h ASP 66 CO 0.00 0.50 0.23 0.25 -1.72 0.00 0.00 179.24 178.49 1rkj h LEU 67 N 0.94 0.56 -0.26 1.55 6.46 -0.85 -2.29 115.31 121.42 1rkj h LEU 67 Ca 0.43 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 58.14 1rkj h LEU 67 Cb 0.40 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 1rkj h LEU 67 CO -0.19 0.51 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.73 1rkj h GLU 68 N 0.57 -0.01 -0.02 1.25 4.39 -0.02 -2.27 114.58 118.47 1rkj h GLU 68 Ca 0.15 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1rkj h GLU 68 Cb 0.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1rkj h GLU 68 CO -0.02 -0.01 -0.21 0.87 -1.16 0.00 0.00 179.01 178.48 1rkj h LYS 69 N -0.01 -0.31 -0.15 2.33 1.57 -1.24 -0.79 116.57 117.97 1rkj h LYS 69 Ca 0.13 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1rkj h LYS 69 Cb 0.21 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1rkj h LYS 69 CO -0.28 -0.21 -0.21 0.00 -0.57 0.00 0.00 179.45 178.19 1rkj h ALA 70 N 0.58 -0.49 -0.29 3.86 0.00 -0.98 0.43 119.26 122.38 1rkj h ALA 70 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1rkj h ALA 70 Cb 0.41 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1rkj h ALA 70 CO -0.20 -0.59 0.40 1.25 0.00 0.00 0.00 179.25 180.11 1rkj h LEU 71 N -0.16 0.00 -0.34 0.00 6.46 -1.32 0.07 115.31 120.03 1rkj h LEU 71 Ca 0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1rkj h LEU 71 Cb 0.23 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1rkj h LEU 71 CO -0.22 0.00 0.10 -0.08 -0.62 0.00 0.00 178.44 177.62 1rkj h GLU 72 N 0.00 0.53 -4.66 1.25 4.81 0.14 -3.39 114.58 113.25 1rkj h GLU 72 Ca 0.14 -0.12 -0.71 0.00 -0.13 0.00 0.00 59.36 58.54 1rkj h GLU 72 Cb 0.93 -0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.04 1rkj h GLU 72 CO -0.00 0.56 -0.20 -1.17 -0.73 0.00 0.00 179.01 177.48 1rkj s LEU 73 N -9.70 5.18 0.00 1.64 0.20 0.01 -5.06 118.68 110.95 1rkj s LEU 73 Ca -0.13 -0.99 0.00 0.00 0.69 0.00 0.00 54.13 53.70 1rkj s LEU 73 Cb 0.09 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1rkj s LEU 73 CO 0.75 -0.68 0.00 0.41 -0.29 0.00 0.00 176.35 176.54 1rkj n THR 74 N 5.38 0.00 -3.20 3.68 -1.04 -1.26 -4.64 114.28 113.20 1rkj n THR 74 Ca -0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.86 1rkj n THR 74 Cb 0.45 -0.44 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 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 1.11 -1.23 0.01 3.41 0.00 -1.26 -4.92 105.19 102.31 1rkj n GLY 75 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.64 1rkj n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rkj n LEU 76 N -2.12 0.50 -3.16 0.99 4.32 -1.26 -4.97 117.00 111.29 1rkj n LEU 76 Ca -0.05 0.07 -0.29 0.00 -0.02 0.00 0.00 56.01 55.72 1rkj n LEU 76 Cb 0.54 -0.25 0.03 0.00 -1.62 0.00 0.00 43.42 42.11 1rkj n LEU 76 CO 0.56 0.09 -0.91 2.29 -1.22 0.00 0.00 177.39 178.19 1rkj n LYS 77 N -1.61 0.00 0.16 3.23 -0.00 -1.26 -4.80 118.16 113.89 1rkj n LYS 77 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.48 1rkj n LYS 77 Cb 0.35 -0.78 0.20 0.00 -0.00 0.00 0.00 35.03 34.80 1rkj n LYS 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1rkj h VAL 78 N -0.59 0.00 0.00 0.58 -1.51 -1.87 -3.44 116.25 109.42 1rkj h VAL 78 Ca -0.34 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 1rkj h VAL 78 Cb 1.04 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1rkj h VAL 78 CO 0.21 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.04 1rkj n PHE 79 N -2.77 -1.19 0.00 5.19 3.72 -1.26 -4.86 117.46 116.28 1rkj n PHE 79 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1rkj n PHE 79 Cb 0.50 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 -1.46 -0.04 3.57 1.37 0.00 -1.26 -5.08 105.19 102.28 1rkj n GLY 80 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1rkj n GLY 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rkj s ASN 81 N -1.35 5.07 1.01 1.61 3.84 -1.26 -4.92 114.94 118.95 1rkj s ASN 81 Ca 0.00 1.16 -0.21 0.00 0.21 0.00 0.00 52.86 54.02 1rkj s ASN 81 Cb 0.00 -2.51 -0.02 0.00 -0.55 0.00 0.00 41.25 38.17 1rkj s ASN 81 CO 0.00 -2.38 -0.60 1.21 -2.79 0.00 0.00 177.10 172.55 1rkj n GLU 82 N 8.89 -0.95 -4.20 0.43 2.13 -1.26 -4.45 120.64 121.23 1rkj n GLU 82 Ca 0.30 -0.27 -0.14 0.00 0.66 0.00 0.00 57.16 57.70 1rkj n GLU 82 Cb 0.51 -1.33 -0.09 0.00 0.27 0.00 0.00 31.44 30.79 1rkj n GLU 82 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1rkj s ILE 83 N -2.10 0.00 -0.33 6.31 -4.36 -1.26 -4.72 121.20 114.75 1rkj s ILE 83 Ca 0.41 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.76 1rkj s ILE 83 Cb -0.01 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1rkj s ILE 83 CO 0.57 0.00 0.18 -0.54 0.24 0.00 0.00 174.94 175.39 1rkj s LYS 84 N -3.88 3.27 -0.17 0.37 -0.14 0.14 -4.97 119.74 114.36 1rkj s LYS 84 Ca 0.38 -0.77 -0.11 0.00 -1.36 0.00 0.00 55.97 54.11 1rkj s LYS 84 Cb 0.05 -3.65 -0.05 0.00 -1.68 0.00 0.00 37.83 32.50 1rkj s LYS 84 CO 0.17 -0.48 0.18 -0.51 -0.76 0.00 0.00 175.35 173.95 1rkj s LEU 85 N 1.63 4.25 0.28 3.17 1.02 -1.26 -0.95 118.68 126.82 1rkj s LEU 85 Ca 0.04 0.35 -0.06 0.00 0.02 0.00 0.00 54.13 54.48 1rkj s LEU 85 Cb -0.18 -2.16 -0.01 0.00 0.02 0.00 0.00 46.19 43.86 1rkj s LEU 85 CO 0.07 0.20 0.42 -0.70 0.02 0.00 0.00 176.35 176.36 1rkj s GLU 86 N 0.13 1.65 0.43 1.70 2.12 -0.09 -5.00 118.70 119.64 1rkj s GLU 86 Ca 0.11 -1.55 0.06 0.00 0.36 0.00 0.00 54.97 53.96 1rkj s GLU 86 Cb -0.12 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.71 1rkj s GLU 86 CO 0.01 -0.67 0.59 0.15 -0.54 0.00 0.00 175.26 174.80 1rkj s LYS 87 N -3.61 2.85 0.81 4.30 1.02 -1.26 -1.17 119.74 122.68 1rkj s LYS 87 Ca 0.29 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.06 1rkj s LYS 87 Cb 0.01 -2.72 0.08 0.00 -0.52 0.00 0.00 37.83 34.68 1rkj s LYS 87 CO 0.15 -0.28 1.14 -1.25 -0.92 0.00 0.00 175.35 174.19 1rkj s PRO 88 N -4.39 1.80 -0.29 -1.68 0.04 -1.26 -4.31 135.00 124.92 1rkj s PRO 88 Ca 0.53 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1rkj s PRO 88 Cb -0.10 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1rkj s PRO 88 CO 0.34 -2.03 0.08 0.21 0.04 0.00 0.00 177.00 175.63 1rkj s LYS 89 N -4.48 0.76 0.06 4.56 2.20 -1.26 -5.04 119.74 116.54 1rkj s LYS 89 Ca 0.67 -0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 1rkj s LYS 89 Cb -0.23 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 1rkj s LYS 89 CO 0.53 -0.90 0.12 0.41 -0.36 0.00 0.00 175.35 175.14 1rkj n GLY 90 N 4.87 -0.50 0.00 5.54 0.00 -1.26 -4.65 105.19 109.19 1rkj n GLY 90 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rkj n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rkj n ARG 91 N 0.28 0.00 -0.02 1.61 0.00 -1.26 -4.88 116.66 112.39 1rkj n ARG 91 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.73 1rkj n ARG 91 Cb 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.40 1rkj n ARG 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1rkj h ASP 92 N 0.00 0.19 0.00 6.15 3.32 -2.00 -3.48 116.42 120.60 1rkj h ASP 92 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 57.03 56.07 1rkj h ASP 92 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1rkj h ASP 92 CO 0.00 1.16 0.00 -0.24 -1.72 0.00 0.00 179.24 178.44 1rkj n SER 93 N -4.41 0.00 -3.50 6.45 2.88 -1.26 -4.89 113.62 108.89 1rkj n SER 93 Ca -0.12 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.26 1rkj n SER 93 Cb 0.62 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.18 1rkj n SER 93 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1rkj n LYS 94 N 0.00 -0.23 0.00 -1.46 4.01 -1.26 -4.34 118.16 114.88 1rkj n LYS 94 Ca 0.00 -1.61 0.00 0.00 -0.51 0.00 0.00 58.31 56.19 1rkj n LYS 94 Cb 0.00 -0.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.92 1rkj n LYS 94 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1rkj n LYS 95 N -2.44 0.00 -0.88 1.97 3.00 -1.26 -4.30 118.16 114.25 1rkj n LYS 95 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.30 1rkj n LYS 95 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.39 1rkj n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rkj n VAL 96 N 0.00 2.65 0.00 3.15 0.31 -1.26 -4.92 118.33 118.26 1rkj n VAL 96 Ca 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 1rkj n VAL 96 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1rkj n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rkj n ARG 97 N 1.14 0.00 -2.52 5.55 5.12 -1.26 -1.34 116.66 123.35 1rkj n ARG 97 Ca 0.25 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.15 1rkj n ARG 97 Cb 0.60 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 32.01 1rkj n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rkj n ALA 98 N 5.14 1.87 -1.05 7.54 0.00 -1.26 -4.60 120.51 128.15 1rkj n ALA 98 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 1rkj n ALA 98 Cb 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.19 -2.46 -2.83 0.00 0.00 -0.45 -2.16 120.51 111.42 1rkj n ALA 99 Ca -0.14 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1rkj n ALA 99 Cb 0.82 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 19.11 1rkj n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rkj n ARG 100 N 1.23 -1.79 -3.83 0.00 3.00 -1.23 -4.83 116.66 109.20 1rkj n ARG 100 Ca 0.15 0.66 -0.12 0.00 -0.01 0.00 0.00 57.85 58.53 1rkj n ARG 100 Cb 0.04 -4.79 -0.10 0.00 0.00 0.00 0.00 32.46 27.61 1rkj n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1rkj s THR 101 N -3.29 0.06 -0.18 0.55 -1.32 -0.78 -1.98 115.64 108.70 1rkj s THR 101 Ca 0.34 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 60.31 1rkj s THR 101 Cb -0.04 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1rkj s THR 101 CO 0.56 -0.27 -0.13 -0.22 -2.21 0.00 0.00 174.62 172.34 1rkj s LEU 102 N -1.04 2.52 -0.13 9.08 2.96 0.63 0.88 118.68 133.57 1rkj s LEU 102 Ca -0.11 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1rkj s LEU 102 Cb -0.06 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1rkj s LEU 102 CO 0.02 0.03 0.15 -0.22 -1.32 0.00 0.00 176.35 175.02 1rkj s LEU 103 N 1.12 4.35 -0.15 -0.68 2.96 0.18 -1.25 118.68 125.21 1rkj s LEU 103 Ca 0.01 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1rkj s LEU 103 Cb -0.14 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1rkj s LEU 103 CO -0.04 0.35 -0.11 0.00 -1.32 0.00 0.00 176.35 175.22 1rkj s ALA 104 N -0.68 2.67 0.49 5.97 0.00 0.16 0.35 121.76 130.72 1rkj s ALA 104 Ca 0.14 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1rkj s ALA 104 Cb -0.12 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1rkj s ALA 104 CO 0.03 0.11 0.35 0.15 0.00 0.00 0.00 175.76 176.40 1rkj s LYS 105 N 0.57 2.31 -0.38 0.00 3.01 -0.16 0.28 119.74 125.37 1rkj s LYS 105 Ca -0.07 -1.90 -0.12 0.00 -1.01 0.00 0.00 55.97 52.87 1rkj s LYS 105 Cb -0.15 -2.12 0.02 0.00 -1.01 0.00 0.00 37.83 34.56 1rkj s LYS 105 CO 0.03 -0.44 0.40 0.09 0.51 0.00 0.00 175.35 175.95 1rkj n ASN 106 N -1.62 -7.76 -4.41 2.83 3.02 -1.16 0.36 115.26 106.53 1rkj n ASN 106 Ca -0.01 0.76 -0.31 0.00 -0.03 0.00 0.00 54.58 54.99 1rkj n ASN 106 Cb 0.64 -4.97 -0.14 0.00 -0.61 0.00 0.00 39.78 34.70 1rkj n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rkj s LEU 107 N -2.25 2.42 -0.09 3.41 2.01 -1.14 -4.22 118.68 118.83 1rkj s LEU 107 Ca 0.18 -0.46 0.09 0.00 0.01 0.00 0.00 54.13 53.95 1rkj s LEU 107 Cb -0.04 -1.43 0.41 0.00 0.01 0.00 0.00 46.19 45.14 1rkj s LEU 107 CO 0.75 0.28 1.21 -0.24 1.01 0.00 0.00 176.35 179.36 1rkj n SER 108 N 1.82 3.10 0.00 2.29 2.88 -1.26 -4.67 113.62 117.78 1rkj n SER 108 Ca -0.16 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 1rkj n SER 108 Cb 0.52 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.44 0.00 -0.23 0.66 3.72 -1.26 -4.24 117.46 116.55 1rkj n PHE 109 Ca 0.14 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.81 1rkj n PHE 109 Cb 0.62 0.00 0.66 0.00 -0.94 0.00 0.00 39.48 39.82 1rkj n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1rkj h ASN 110 N 0.00 0.14 -3.94 4.37 -0.73 -2.02 -3.42 115.58 109.98 1rkj h ASN 110 Ca 0.00 0.02 -0.49 0.00 1.87 0.00 0.00 56.30 57.70 1rkj h ASN 110 Cb 0.00 -0.00 0.21 0.00 0.27 0.00 0.00 38.32 38.79 1rkj h ASN 110 CO 0.00 0.04 0.15 -0.63 -0.37 0.00 0.00 177.43 176.62 1rkj s ILE 111 N -5.13 2.01 0.00 2.57 -1.09 -1.26 -5.03 121.20 113.26 1rkj s ILE 111 Ca -0.06 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1rkj s ILE 111 Cb 0.22 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 1rkj s ILE 111 CO 0.78 -0.00 0.00 0.41 -1.23 0.00 0.00 174.94 174.90 1rkj n THR 112 N -4.50 0.00 -0.23 2.92 -1.04 -1.26 -4.98 114.28 105.19 1rkj n THR 112 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1rkj n THR 112 Cb 0.53 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.15 1rkj n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1rkj h GLU 113 N 0.00 0.58 -0.35 -2.82 5.08 -1.96 0.83 114.58 115.95 1rkj h GLU 113 Ca 0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1rkj h GLU 113 Cb 0.00 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 1rkj h GLU 113 CO 0.00 0.39 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.61 1rkj h ASP 114 N 0.60 -1.20 -0.29 1.42 3.32 -1.98 0.44 116.42 118.73 1rkj h ASP 114 Ca 0.32 0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.38 1rkj h ASP 114 Cb 0.30 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1rkj h ASP 114 CO -0.24 -0.22 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.31 1rkj h GLU 115 N -0.18 0.80 0.00 3.56 3.07 -1.90 -1.28 114.58 118.65 1rkj h GLU 115 Ca 0.06 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1rkj h GLU 115 Cb 0.33 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1rkj h GLU 115 CO -0.42 1.10 0.00 1.28 -1.40 0.00 0.00 179.01 179.57 1rkj n LEU 116 N -4.13 0.00 -0.34 1.33 4.77 0.29 -1.55 117.00 117.37 1rkj n LEU 116 Ca -0.04 0.64 0.16 0.00 -0.03 0.00 0.00 56.01 56.74 1rkj n LEU 116 Cb 0.55 -0.14 0.38 0.00 -2.33 0.00 0.00 43.42 41.89 1rkj n LEU 116 CO 0.48 -0.14 1.19 0.07 -1.33 0.00 0.00 177.39 177.66 1rkj h LYS 117 N 0.00 0.62 -0.97 3.23 2.10 -0.29 0.12 116.57 121.38 1rkj h LYS 117 Ca 0.00 -0.04 0.29 0.00 -2.00 0.00 0.00 60.65 58.90 1rkj h LYS 117 Cb 0.00 -0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 31.05 1rkj h LYS 117 CO 0.00 0.41 0.49 1.49 -2.00 0.00 0.00 179.45 179.83 1rkj h GLU 118 N 0.63 0.32 0.06 0.07 4.81 -0.82 1.83 114.58 121.49 1rkj h GLU 118 Ca 0.58 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1rkj h GLU 118 Cb 1.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1rkj h GLU 118 CO -0.37 0.21 -1.50 -0.24 -0.73 0.00 0.00 179.01 176.38 1rkj h VAL 119 N 0.33 1.14 -1.69 0.32 3.04 0.27 -3.42 116.25 116.25 1rkj h VAL 119 Ca 0.67 -2.87 -0.46 0.00 -1.01 0.00 0.00 66.70 63.03 1rkj h VAL 119 Cb 1.46 2.65 -0.31 0.00 -2.01 0.00 0.00 31.29 33.08 1rkj h VAL 119 CO -0.60 0.75 -0.88 2.22 -1.01 0.00 0.00 177.57 178.06 1rkj n PHE 120 N -3.30 -1.56 -0.13 3.17 1.16 0.63 -4.54 117.46 112.88 1rkj n PHE 120 Ca -0.14 -2.86 -0.02 0.00 -1.87 0.00 0.00 57.45 52.56 1rkj n PHE 120 Cb 1.02 0.44 0.18 0.00 -1.61 0.00 0.00 39.48 39.52 1rkj n PHE 120 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1rkj n GLU 121 N 2.21 2.65 -1.08 3.97 2.13 0.59 -4.18 120.64 126.93 1rkj n GLU 121 Ca 0.22 -1.74 -0.14 0.00 0.66 0.00 0.00 57.16 56.16 1rkj n GLU 121 Cb 0.53 -1.83 0.24 0.00 0.27 0.00 0.00 31.44 30.65 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 0.07 4.29 -3.27 4.31 8.00 -1.26 -4.94 116.55 123.75 1rkj n ASP 122 Ca 0.22 -3.34 -0.11 0.00 0.71 0.00 0.00 54.79 52.27 1rkj n ASP 122 Cb 0.92 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1rkj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkj n ALA 123 N -0.56 0.39 -0.01 2.24 0.00 -1.26 -4.78 120.51 116.53 1rkj n ALA 123 Ca 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1rkj n ALA 123 Cb 1.48 0.39 -0.04 0.00 0.00 0.00 0.00 19.45 21.29 1rkj n ALA 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1rkj n LEU 124 N 0.00 0.00 -3.79 0.00 -0.00 -0.24 -4.90 117.00 108.06 1rkj n LEU 124 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.86 1rkj n LEU 124 Cb 0.28 0.07 -0.16 0.00 -0.00 0.00 0.00 43.42 43.61 1rkj n LEU 124 CO 0.17 0.07 -0.35 -0.70 -0.00 0.00 0.00 177.39 176.57 1rkj s GLU 125 N -2.25 -0.03 -0.08 1.47 2.56 -0.92 -5.02 118.70 114.43 1rkj s GLU 125 Ca -0.02 0.15 0.04 0.00 0.00 0.00 0.00 54.97 55.14 1rkj s GLU 125 Cb 0.03 -0.20 0.00 0.00 2.00 0.00 0.00 34.13 35.96 1rkj s GLU 125 CO 0.22 -0.13 -0.20 0.42 -0.56 0.00 0.00 175.26 175.01 1rkj s ILE 126 N 0.85 1.70 0.02 -3.70 1.01 -1.26 -1.35 121.20 118.46 1rkj s ILE 126 Ca -0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 1rkj s ILE 126 Cb -0.10 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.90 1rkj s ILE 126 CO -0.02 0.48 0.24 -0.13 0.00 0.00 0.00 174.94 175.51 1rkj s ARG 127 N 0.31 0.67 0.05 2.79 0.52 -0.59 -5.03 118.95 117.68 1rkj s ARG 127 Ca -0.13 -0.42 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1rkj s ARG 127 Cb -0.16 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 1rkj s ARG 127 CO 0.06 -0.19 -0.23 -0.48 0.02 0.00 0.00 175.30 174.48 1rkj s LEU 128 N -1.71 2.38 -0.32 2.53 2.34 -1.26 -1.44 118.68 121.20 1rkj s LEU 128 Ca -0.10 -0.54 -0.02 0.00 0.06 0.00 0.00 54.13 53.54 1rkj s LEU 128 Cb -0.04 -1.38 0.12 0.00 -0.56 0.00 0.00 46.19 44.34 1rkj s LEU 128 CO -0.00 0.25 0.18 -0.69 -1.06 0.00 0.00 176.35 175.02 1rkj s VAL 129 N -0.89 0.06 0.08 1.48 1.01 -0.10 -4.88 120.40 117.17 1rkj s VAL 129 Ca 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1rkj s VAL 129 Cb -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1rkj s VAL 129 CO 0.04 -0.88 0.00 -1.54 0.00 0.00 0.00 175.10 172.72 1rkj n SER 130 N 4.56 -0.75 -3.41 3.32 3.41 -1.18 -1.12 113.62 118.45 1rkj n SER 130 Ca 0.04 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1rkj n SER 130 Cb 0.39 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1rkj n SER 130 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rkj n GLN 131 N -2.58 1.59 -0.18 4.33 7.27 -1.26 -3.22 117.38 123.33 1rkj n GLN 131 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1rkj n GLN 131 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1rkj n GLN 131 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1rkj n ASP 132 N 0.00 0.00 0.00 1.69 2.03 -1.26 -3.75 116.55 115.26 1rkj n ASP 132 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1rkj n ASP 132 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.00 1.87 1.23 0.27 0.00 -1.26 -4.86 105.19 100.45 1rkj n GLY 133 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 3.05 0.00 1.61 5.02 -1.25 -5.04 118.16 119.56 1rkj n LYS 134 Ca 0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1rkj n LYS 134 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 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 0.58 -1.54 -0.92 4.39 7.64 -1.20 -4.98 113.62 117.59 1rkj n SER 135 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1rkj n SER 135 Cb 0.71 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 0.00 -1.74 1.43 4.81 -1.26 -4.34 118.16 117.06 1rkj n LYS 136 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1rkj n LYS 136 Cb 0.00 -1.03 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 1rkj n LYS 136 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1rkj s GLY 137 N -2.59 -0.49 -0.25 3.14 0.00 -1.26 -3.08 107.32 102.79 1rkj s GLY 137 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 1rkj s GLY 137 CO 0.00 3.97 0.60 -0.42 0.00 0.00 0.00 173.10 177.25 1rkj s ILE 138 N 13.31 -0.16 -0.07 0.90 1.01 -0.28 -2.88 121.20 133.02 1rkj s ILE 138 Ca 0.84 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 1rkj s ILE 138 Cb -0.10 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1rkj s ILE 138 CO 0.06 0.01 0.02 0.00 0.00 0.00 0.00 174.94 175.03 1rkj s ALA 139 N 1.78 3.36 -0.05 9.38 0.00 0.14 -0.92 121.76 135.46 1rkj s ALA 139 Ca -0.09 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1rkj s ALA 139 Cb -0.07 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 1rkj s ALA 139 CO -0.18 0.61 -0.24 -0.47 0.00 0.00 0.00 175.76 175.48 1rkj s TYR 140 N -0.94 2.45 0.02 0.00 6.14 -0.52 0.39 117.35 124.89 1rkj s TYR 140 Ca 0.15 -0.61 0.00 0.00 0.64 0.00 0.00 57.07 57.25 1rkj s TYR 140 Cb -0.11 -1.59 -0.02 0.00 0.42 0.00 0.00 41.96 40.66 1rkj s TYR 140 CO 0.04 -0.15 -0.03 0.42 0.64 0.00 0.00 175.55 176.47 1rkj s ILE 141 N -0.29 0.17 0.10 3.14 1.09 -0.38 -1.54 121.20 123.50 1rkj s ILE 141 Ca 0.00 -0.84 0.09 0.00 -1.10 0.00 0.00 60.65 58.80 1rkj s ILE 141 Cb -0.13 -0.29 -0.04 0.00 -1.06 0.00 0.00 42.46 40.95 1rkj s ILE 141 CO 0.02 -0.43 -0.23 -0.70 -0.10 0.00 0.00 174.94 173.51 1rkj s GLU 142 N -1.32 1.23 0.34 2.79 2.12 -0.46 -0.27 118.70 123.13 1rkj s GLU 142 Ca -0.13 -1.19 0.06 0.00 0.36 0.00 0.00 54.97 54.06 1rkj s GLU 142 Cb -0.09 -1.54 -0.07 0.00 0.26 0.00 0.00 34.13 32.69 1rkj s GLU 142 CO -0.01 0.36 -0.00 -0.06 -0.54 0.00 0.00 175.26 175.01 1rkj s PHE 143 N -1.10 2.18 -0.71 5.30 0.40 -0.84 -1.08 117.98 122.13 1rkj s PHE 143 Ca 0.09 -0.76 0.24 0.00 -0.60 0.00 0.00 56.93 55.90 1rkj s PHE 143 Cb -0.10 -1.40 0.91 0.00 0.51 0.00 0.00 43.02 42.94 1rkj s PHE 143 CO 0.04 0.27 1.74 1.17 0.70 0.00 0.00 175.22 179.14 1rkj n LYS 144 N -0.76 0.17 -3.64 0.44 3.00 -1.26 -4.56 118.16 111.55 1rkj n LYS 144 Ca -0.04 0.27 -0.04 0.00 -0.00 0.00 0.00 58.31 58.49 1rkj n LYS 144 Cb 0.66 -1.75 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 1rkj n LYS 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rkj s SER 145 N -4.03 -0.22 0.40 3.14 0.15 -1.26 -5.02 113.70 106.86 1rkj s SER 145 Ca 0.08 -0.19 0.28 0.00 0.70 0.00 0.00 55.95 56.82 1rkj s SER 145 Cb 0.12 0.37 1.06 0.00 -1.71 0.00 0.00 66.02 65.86 1rkj s SER 145 CO 0.47 -0.66 1.82 -0.08 1.20 0.00 0.00 173.24 176.00 1rkj h GLU 146 N 2.00 0.00 0.34 5.44 4.81 -1.89 -3.13 114.58 122.15 1rkj h GLU 146 Ca -0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1rkj h GLU 146 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1rkj h GLU 146 CO 0.27 0.00 -0.39 0.00 -0.73 0.00 0.00 179.01 178.17 1rkj h ALA 147 N 2.15 -1.04 0.00 2.92 0.00 -2.00 0.84 119.26 122.14 1rkj h ALA 147 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1rkj h ALA 147 Cb 0.54 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1rkj h ALA 147 CO 0.00 -1.07 -0.38 -0.44 0.00 0.00 0.00 179.25 177.36 1rkj h ASP 148 N -0.74 0.00 -0.31 0.00 5.19 -1.89 -2.15 116.42 116.52 1rkj h ASP 148 Ca -0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1rkj h ASP 148 Cb 0.65 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1rkj h ASP 148 CO -0.07 0.38 0.15 0.00 -3.12 0.00 0.00 179.24 176.57 1rkj h ALA 149 N 1.62 0.39 0.11 3.45 0.00 -1.41 -1.84 119.26 121.58 1rkj h ALA 149 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rkj h ALA 149 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rkj h ALA 149 CO 0.05 -0.04 -0.05 1.05 0.00 0.00 0.00 179.25 180.26 1rkj h GLU 150 N 0.36 -0.14 -0.77 0.00 4.11 -0.76 -2.08 114.58 115.30 1rkj h GLU 150 Ca 0.10 0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.69 1rkj h GLU 150 Cb 0.12 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.26 1rkj h GLU 150 CO -0.01 0.36 -0.26 -0.22 0.07 0.00 0.00 179.01 178.95 1rkj h LYS 151 N -0.82 -0.04 -0.48 1.06 3.64 -1.42 0.37 116.57 118.87 1rkj h LYS 151 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1rkj h LYS 151 Cb 0.57 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1rkj h LYS 151 CO 0.02 -0.03 0.15 -2.95 -2.27 0.00 0.00 179.45 174.37 1rkj h ASN 152 N -0.04 0.70 -0.02 4.20 -1.07 -1.41 -0.33 115.58 117.60 1rkj h ASN 152 Ca 0.34 -0.21 0.01 0.00 0.07 0.00 0.00 56.30 56.51 1rkj h ASN 152 Cb 0.58 -0.18 -0.00 0.00 -2.07 0.00 0.00 38.32 36.64 1rkj h ASN 152 CO -0.81 0.72 0.03 0.25 0.07 0.00 0.00 177.43 177.70 1rkj h LEU 153 N 0.64 0.00 0.10 6.14 5.85 0.24 0.45 115.31 128.73 1rkj h LEU 153 Ca 0.15 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.59 1rkj h LEU 153 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1rkj h LEU 153 CO -0.00 0.00 -1.49 -0.08 -0.34 0.00 0.00 178.44 176.53 1rkj h GLU 154 N 0.00 0.21 0.00 1.25 4.81 0.28 -3.25 114.58 117.88 1rkj h GLU 154 Ca 0.01 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1rkj h GLU 154 Cb 0.07 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1rkj h GLU 154 CO -0.00 1.17 -0.00 1.49 -0.73 0.00 0.00 179.01 180.94 1rkj h GLU 155 N -0.34 0.00 -0.13 1.92 4.81 -0.54 -3.35 114.58 116.96 1rkj h GLU 155 Ca -0.33 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1rkj h GLU 155 Cb 1.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 1rkj h GLU 155 CO 0.02 0.00 0.48 0.87 -0.73 0.00 0.00 179.01 179.65 1rkj h LYS 156 N -0.00 0.00 -5.32 1.92 1.79 -0.35 -3.43 116.57 111.19 1rkj h LYS 156 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1rkj h LYS 156 Cb 0.00 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 30.86 1rkj h LYS 156 CO 0.00 0.00 -1.63 0.94 -1.08 0.00 0.00 179.45 177.68 1rkj n GLN 157 N -3.03 0.00 -3.44 3.15 0.00 -1.09 -3.60 117.38 109.37 1rkj n GLN 157 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.67 1rkj n GLN 157 Cb 0.56 -0.89 0.03 0.00 0.00 0.00 0.00 30.24 29.94 1rkj n GLN 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rkj n GLY 158 N 3.07 0.06 3.24 1.69 0.00 -1.26 -4.94 105.19 107.04 1rkj n GLY 158 Ca -0.01 1.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.48 2.69 -0.22 4.61 0.00 -1.23 -4.96 121.76 121.16 1rkj s ALA 159 Ca 0.34 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1rkj s ALA 159 Cb -0.04 -1.60 0.21 0.00 0.00 0.00 0.00 23.12 21.70 1rkj s ALA 159 CO 0.78 -0.52 1.23 -1.91 0.00 0.00 0.00 175.76 175.34 1rkj n GLU 160 N 4.73 1.49 -0.32 0.00 2.13 -1.26 0.11 120.64 127.52 1rkj n GLU 160 Ca -0.18 -0.93 0.11 0.00 0.66 0.00 0.00 57.16 56.83 1rkj n GLU 160 Cb 0.50 -1.41 0.25 0.00 0.27 0.00 0.00 31.44 31.04 1rkj n GLU 160 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1rkj h ILE 161 N 0.43 0.13 -4.05 6.31 2.04 -1.96 -3.39 117.51 117.03 1rkj h ILE 161 Ca 0.17 -0.02 -0.41 0.00 1.00 0.00 0.00 64.86 65.60 1rkj h ILE 161 Cb 1.49 0.08 -0.27 0.00 -0.74 0.00 0.00 36.82 37.38 1rkj h ILE 161 CO 0.31 0.01 -0.78 1.51 0.00 0.00 0.00 178.15 179.20 1rkj s ASP 162 N -5.08 1.29 -0.92 1.72 1.47 -1.26 -5.04 116.67 108.85 1rkj s ASP 162 Ca -0.13 -0.30 -0.09 0.00 1.18 0.00 0.00 52.55 53.21 1rkj s ASP 162 Cb 0.27 -0.11 -0.31 0.00 -0.34 0.00 0.00 42.92 42.43 1rkj s ASP 162 CO 0.77 0.06 2.06 0.61 0.68 0.00 0.00 175.17 179.36 1rkj n GLY 163 N 2.41 -0.45 0.00 2.12 0.00 -1.26 -2.24 105.19 105.77 1rkj n GLY 163 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1rkj n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rkj n ARG 164 N 5.48 0.00 -2.38 1.61 1.74 -1.26 -5.02 116.66 116.83 1rkj n ARG 164 Ca 0.62 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.68 1rkj n ARG 164 Cb 0.17 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.62 1rkj n ARG 164 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1rkj n SER 165 N 0.00 -5.05 -1.13 0.55 2.88 -0.95 -4.87 113.62 105.05 1rkj n SER 165 Ca 0.00 -0.12 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 1rkj n SER 165 Cb 0.00 -3.31 -0.00 0.00 -0.75 0.00 0.00 64.21 60.15 1rkj n SER 165 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1rkj n VAL 166 N -1.65 0.34 -3.14 2.46 3.14 0.30 -4.41 118.33 115.37 1rkj n VAL 166 Ca -0.01 -0.13 -0.19 0.00 -2.96 0.00 0.00 64.34 61.05 1rkj n VAL 166 Cb 0.51 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.33 1rkj n VAL 166 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1rkj s SER 167 N -0.26 5.24 -0.11 6.55 0.01 0.16 -3.53 113.70 121.75 1rkj s SER 167 Ca 0.16 -0.74 -0.33 0.00 1.31 0.00 0.00 55.95 56.36 1rkj s SER 167 Cb -0.20 -0.07 0.12 0.00 0.21 0.00 0.00 66.02 66.09 1rkj s SER 167 CO 0.15 -1.08 1.14 -1.48 0.41 0.00 0.00 173.24 172.39 1rkj s LEU 168 N -4.49 -0.17 -0.03 2.44 0.05 -1.26 -0.99 118.68 114.23 1rkj s LEU 168 Ca 0.56 -0.04 -0.29 0.00 0.05 0.00 0.00 54.13 54.41 1rkj s LEU 168 Cb -0.07 1.55 0.10 0.00 -2.05 0.00 0.00 46.19 45.73 1rkj s LEU 168 CO 0.35 -0.35 0.85 -0.31 -0.55 0.00 0.00 176.35 176.34 1rkj s TYR 169 N -2.60 -0.41 -0.52 3.48 2.02 0.15 -4.90 117.35 114.56 1rkj s TYR 169 Ca 0.09 0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 57.07 1rkj s TYR 169 Cb -0.00 0.50 0.10 0.00 -0.40 0.00 0.00 41.96 42.16 1rkj s TYR 169 CO -0.05 -0.54 0.51 1.52 -1.57 0.00 0.00 175.55 175.42 1rkj s TYR 170 N -2.45 3.19 0.64 2.71 1.13 -1.26 0.48 117.35 121.79 1rkj s TYR 170 Ca 0.01 -1.07 0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1rkj s TYR 170 Cb -0.01 -3.62 0.10 0.00 -1.10 0.00 0.00 41.96 37.33 1rkj s TYR 170 CO -0.04 -1.00 0.88 0.95 -2.51 0.00 0.00 175.55 173.83 1rkj s THR 171 N 1.86 2.20 0.00 -3.49 -4.23 0.25 -4.96 115.64 107.28 1rkj s THR 171 Ca 0.06 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1rkj s THR 171 Cb -0.26 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1rkj s THR 171 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1rkj n GLY 172 N -2.53 -0.39 3.04 3.99 0.00 -1.24 -1.86 105.19 106.21 1rkj n GLY 172 Ca 0.15 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1rkj n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkj n GLU 173 N 1.25 -4.49 0.00 1.61 1.02 -1.26 -4.10 120.64 114.67 1rkj n GLU 173 Ca 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.72 1rkj n GLU 173 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1rkj n GLU 173 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1rkj n LYS 174 N -5.47 0.37 0.00 3.49 0.00 -1.26 -3.47 118.16 111.82 1rkj n LYS 174 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1rkj n LYS 174 Cb 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.71 1rkj n LYS 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81