#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukp h MET 7 N 0.00 0.00 0.00 1.20 2.86 -1.90 -1.87 114.93 115.22 1ukp h MET 7 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ukp h MET 7 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ukp h MET 7 CO 0.00 0.00 -0.25 1.25 1.06 0.00 0.00 176.91 178.97 1ukp h LEU 8 N 0.00 0.00 -0.14 1.22 5.85 -1.88 -0.96 115.31 119.40 1ukp h LEU 8 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ukp h LEU 8 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ukp h LEU 8 CO 0.00 0.25 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 1ukp n LEU 9 N -3.54 0.46 -0.84 2.25 4.77 -0.70 -2.72 117.00 116.68 1ukp n LEU 9 Ca -0.01 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1ukp n LEU 9 Cb 0.40 -0.44 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1ukp n LEU 9 CO 0.34 -0.22 0.58 0.59 -1.33 0.00 0.00 177.39 177.35 1ukp n ASN 10 N -1.95 2.74 -4.68 -1.43 3.02 -0.40 -4.29 115.26 108.27 1ukp n ASN 10 Ca 0.05 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 1ukp n ASN 10 Cb 0.33 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 1ukp n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ukp s TYR 11 N -1.76 2.54 -0.19 3.10 6.14 -1.02 -4.56 117.35 121.60 1ukp s TYR 11 Ca 0.24 0.55 -0.02 0.00 0.64 0.00 0.00 57.07 58.49 1ukp s TYR 11 Cb 0.17 -3.79 -0.00 0.00 0.42 0.00 0.00 41.96 38.76 1ukp s TYR 11 CO 0.27 -3.11 -0.09 0.08 0.64 0.00 0.00 175.55 173.33 1ukp s VAL 12 N 2.87 3.02 0.44 3.14 1.01 -0.28 -4.94 120.40 125.66 1ukp s VAL 12 Ca 0.68 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1ukp s VAL 12 Cb -0.34 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1ukp s VAL 12 CO 0.28 0.47 1.38 -2.16 0.00 0.00 0.00 175.10 175.07 1ukp s PRO 13 N 1.22 3.76 -0.13 2.72 0.04 -1.26 -4.24 135.00 137.12 1ukp s PRO 13 Ca 0.02 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.40 1ukp s PRO 13 Cb -0.14 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1ukp s PRO 13 CO -0.04 -0.72 -0.16 0.08 0.04 0.00 0.00 177.00 176.20 1ukp s VAL 14 N -1.23 2.77 0.25 -0.36 1.01 -1.26 -2.14 120.40 119.45 1ukp s VAL 14 Ca 0.60 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1ukp s VAL 14 Cb -0.42 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1ukp s VAL 14 CO 0.54 0.53 -0.16 -0.31 0.00 0.00 0.00 175.10 175.69 1ukp s TYR 15 N 0.41 2.40 -0.06 5.22 2.02 -0.02 -1.20 117.35 126.11 1ukp s TYR 15 Ca -0.12 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1ukp s TYR 15 Cb -0.16 -1.08 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1ukp s TYR 15 CO 0.06 0.65 -0.10 0.08 -1.57 0.00 0.00 175.55 174.67 1ukp s VAL 16 N -2.26 0.95 0.15 0.71 1.01 -0.61 -0.81 120.40 119.53 1ukp s VAL 16 Ca 0.28 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1ukp s VAL 16 Cb -0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 1ukp s VAL 16 CO 0.15 0.32 1.29 -0.04 0.00 0.00 0.00 175.10 176.82 1ukp s MET 17 N 0.79 4.39 0.87 2.72 -1.94 -0.43 -1.61 119.30 124.09 1ukp s MET 17 Ca -0.13 1.98 -0.12 0.00 -1.71 0.00 0.00 55.69 55.72 1ukp s MET 17 Cb -0.15 -3.24 0.12 0.00 2.01 0.00 0.00 34.83 33.56 1ukp s MET 17 CO 0.02 -0.28 1.10 -0.51 -0.01 0.00 0.00 175.02 175.34 1ukp s LEU 18 N 0.40 2.28 0.45 -0.03 1.43 -0.52 -0.30 118.68 122.39 1ukp s LEU 18 Ca 0.59 1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 54.77 1ukp s LEU 18 Cb -0.35 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.02 1ukp s LEU 18 CO 0.34 -2.44 1.30 -2.84 0.23 0.00 0.00 176.35 172.94 1ukp s PRO 19 N -5.06 3.71 0.35 1.29 0.02 -1.26 -4.58 135.00 129.48 1ukp s PRO 19 Ca 0.63 2.12 -0.28 0.00 0.02 0.00 0.00 61.00 63.49 1ukp s PRO 19 Cb -0.16 -2.56 -0.10 0.00 0.02 0.00 0.00 34.50 31.70 1ukp s PRO 19 CO 0.56 -0.70 1.34 -0.51 -0.33 0.00 0.00 177.00 177.36 1ukp s LEU 20 N -2.83 4.38 -0.15 -5.54 1.43 -1.26 -3.00 118.68 111.70 1ukp s LEU 20 Ca 0.62 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.47 1ukp s LEU 20 Cb -0.37 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1ukp s LEU 20 CO 0.46 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1ukp n GLY 21 N 0.72 0.51 0.41 -3.19 0.00 -1.26 -4.91 105.19 97.47 1ukp n GLY 21 Ca 0.01 -0.73 0.22 0.00 0.00 0.00 0.00 46.02 45.51 1ukp n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ukp h VAL 22 N 0.00 0.59 -3.53 1.61 3.04 -1.93 -2.99 116.25 113.04 1ukp h VAL 22 Ca -0.03 -0.13 -0.67 0.00 -1.01 0.00 0.00 66.70 64.86 1ukp h VAL 22 Cb 0.12 0.18 -0.29 0.00 -2.01 0.00 0.00 31.29 29.29 1ukp h VAL 22 CO 0.04 0.07 -0.70 -0.69 -1.01 0.00 0.00 177.57 175.28 1ukp s VAL 23 N -5.42 3.32 1.14 1.51 1.01 -1.26 -3.73 120.40 116.97 1ukp s VAL 23 Ca -0.08 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1ukp s VAL 23 Cb 0.24 -2.68 0.27 0.00 0.00 0.00 0.00 36.38 34.20 1ukp s VAL 23 CO 0.79 0.18 1.17 0.54 0.00 0.00 0.00 175.10 177.78 1ukp s ASN 24 N 1.40 1.49 0.61 3.32 2.20 -0.18 -4.83 114.94 118.96 1ukp s ASN 24 Ca 0.02 0.51 0.36 0.00 -0.94 0.00 0.00 52.86 52.80 1ukp s ASN 24 Cb -0.17 -0.68 2.01 0.00 -2.00 0.00 0.00 41.25 40.42 1ukp s ASN 24 CO -0.02 -3.76 2.27 -0.37 -2.94 0.00 0.00 177.10 172.28 1ukp h VAL 25 N -2.33 0.27 -0.13 3.54 -1.51 -1.89 0.14 116.25 114.34 1ukp h VAL 25 Ca -0.44 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1ukp h VAL 25 Cb 1.27 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1ukp h VAL 25 CO 0.34 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.17 1ukp n ASP 26 N -3.44 1.23 -2.72 4.19 8.00 -1.26 -4.87 116.55 117.67 1ukp n ASP 26 Ca -0.03 -1.65 -0.12 0.00 0.71 0.00 0.00 54.79 53.71 1ukp n ASP 26 Cb 0.11 -0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1ukp n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ukp n ASN 27 N 0.04 -2.12 -4.09 -2.24 2.85 0.04 -5.04 115.26 104.70 1ukp n ASN 27 Ca 0.15 -0.44 -0.24 0.00 -0.11 0.00 0.00 54.58 53.95 1ukp n ASN 27 Cb 0.26 -3.78 -0.16 0.00 1.24 0.00 0.00 39.78 37.34 1ukp n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ukp s VAL 28 N -3.25 1.17 -0.98 3.44 1.01 -1.25 -4.57 120.40 115.96 1ukp s VAL 28 Ca 0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1ukp s VAL 28 Cb -0.01 -1.01 0.11 0.00 0.00 0.00 0.00 36.38 35.48 1ukp s VAL 28 CO 0.52 0.34 1.26 0.12 0.00 0.00 0.00 175.10 177.34 1ukp s PHE 29 N 0.02 2.96 0.04 5.22 5.36 -1.26 -1.01 117.98 129.32 1ukp s PHE 29 Ca -0.02 -1.29 -0.19 0.00 -0.96 0.00 0.00 56.93 54.48 1ukp s PHE 29 Cb -0.09 -4.42 -0.09 0.00 -0.34 0.00 0.00 43.02 38.07 1ukp s PHE 29 CO 0.01 -1.62 1.29 0.93 -1.46 0.00 0.00 175.22 174.37 1ukp h GLU 30 N 8.97 -0.54 -2.68 10.12 5.08 -1.91 -3.39 114.58 130.23 1ukp h GLU 30 Ca 0.19 0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.91 1ukp h GLU 30 Cb 1.01 0.12 -0.37 0.00 0.50 0.00 0.00 28.75 30.01 1ukp h GLU 30 CO 1.22 -0.36 -0.15 -3.47 -1.00 0.00 0.00 179.01 175.25 1ukp n ASP 31 N -3.93 4.45 -0.05 1.42 2.03 -1.26 -4.90 116.55 114.31 1ukp n ASP 31 Ca -0.07 -3.36 -0.08 0.00 0.52 0.00 0.00 54.79 51.81 1ukp n ASP 31 Cb 0.25 -0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 39.72 1ukp n ASP 31 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ukp h PRO 32 N 4.96 0.00 -0.80 -0.67 0.11 -1.95 -1.43 132.00 132.23 1ukp h PRO 32 Ca 0.19 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1ukp h PRO 32 Cb 0.69 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1ukp h PRO 32 CO 0.95 0.00 0.35 -0.44 -0.21 0.00 0.00 178.00 178.66 1ukp h ASP 33 N 0.00 1.06 -0.37 -2.05 3.32 -1.97 0.59 116.42 117.00 1ukp h ASP 33 Ca 0.11 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1ukp h ASP 33 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1ukp h ASP 33 CO -0.23 0.91 -0.03 1.23 -1.72 0.00 0.00 179.24 179.40 1ukp h GLY 34 N 1.16 0.73 0.99 2.75 0.00 -1.90 -2.40 103.07 104.41 1ukp h GLY 34 Ca 0.27 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1ukp h GLY 34 CO -0.03 0.52 0.06 -2.00 0.00 0.00 0.00 176.54 175.09 1ukp h LEU 35 N 0.49 0.81 -0.72 3.11 5.85 -1.02 -2.85 115.31 120.98 1ukp h LEU 35 Ca 0.10 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1ukp h LEU 35 Cb 0.52 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1ukp h LEU 35 CO 0.03 0.88 0.43 0.50 -0.34 0.00 0.00 178.44 179.93 1ukp h LYS 36 N 0.71 0.78 -0.24 1.25 3.64 -0.79 0.20 116.57 122.11 1ukp h LYS 36 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ukp h LYS 36 Cb 0.43 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1ukp h LYS 36 CO 0.01 0.52 0.11 1.49 -2.27 0.00 0.00 179.45 179.31 1ukp h GLU 37 N 0.80 0.23 -0.46 1.90 4.22 -1.32 -0.37 114.58 119.58 1ukp h GLU 37 Ca 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 1ukp h GLU 37 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ukp h GLU 37 CO -0.16 0.15 0.26 1.96 -2.18 0.00 0.00 179.01 179.05 1ukp h GLN 38 N 0.24 0.63 -0.63 1.92 4.20 -1.08 -2.87 115.11 117.52 1ukp h GLN 38 Ca 0.10 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1ukp h GLN 38 Cb 0.04 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1ukp h GLN 38 CO -0.08 0.48 0.22 -0.07 -0.67 0.00 0.00 178.83 178.71 1ukp h LEU 39 N 0.60 0.86 -1.50 1.46 3.38 -0.30 -2.05 115.31 117.75 1ukp h LEU 39 Ca 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ukp h LEU 39 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1ukp h LEU 39 CO -0.03 0.79 0.15 -0.07 0.09 0.00 0.00 178.44 179.38 1ukp h LEU 40 N 0.91 0.43 -0.27 1.67 3.38 -0.89 -0.52 115.31 120.03 1ukp h LEU 40 Ca 0.21 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1ukp h LEU 40 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ukp h LEU 40 CO -0.01 0.39 -0.79 1.56 0.09 0.00 0.00 178.44 179.68 1ukp h GLN 41 N 0.49 0.56 -0.07 1.13 4.20 -1.18 -1.87 115.11 118.36 1ukp h GLN 41 Ca 0.12 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1ukp h GLN 41 Cb 0.08 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ukp h GLN 41 CO -0.01 1.11 0.04 -0.07 -0.67 0.00 0.00 178.83 179.22 1ukp h LEU 42 N 0.37 0.09 -1.31 1.46 3.38 -0.74 -0.95 115.31 117.61 1ukp h LEU 42 Ca -0.05 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1ukp h LEU 42 Cb 1.39 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 1ukp h LEU 42 CO 0.15 0.13 0.53 -0.09 0.09 0.00 0.00 178.44 179.24 1ukp h ARG 43 N 0.04 0.75 0.00 1.13 9.65 -1.07 0.81 114.38 125.69 1ukp h ARG 43 Ca 0.03 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1ukp h ARG 43 Cb 0.06 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1ukp h ARG 43 CO -0.00 0.50 -0.26 0.00 2.80 0.00 0.00 179.97 183.01 1ukp h ALA 44 N 1.59 1.04 -0.00 2.80 0.00 -0.67 -2.37 119.26 121.64 1ukp h ALA 44 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ukp h ALA 44 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ukp h ALA 44 CO -0.14 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 1ukp n ALA 45 N -2.25 2.72 -0.14 0.00 0.00 0.23 -4.92 120.51 116.15 1ukp n ALA 45 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ukp n ALA 45 Cb 0.43 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ukp n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 46 N 1.41 0.68 3.70 0.00 0.00 -0.89 -4.80 105.19 105.29 1ukp n GLY 46 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ukp n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ukp n VAL 47 N -2.04 1.46 0.07 1.61 0.31 -1.04 -4.68 118.33 114.02 1ukp n VAL 47 Ca 0.00 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.75 1ukp n VAL 47 Cb 0.00 -1.63 -0.14 0.00 -0.91 0.00 0.00 33.84 31.16 1ukp n VAL 47 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ukp h ASP 48 N 3.55 0.67 -1.50 4.52 5.19 -1.51 -3.43 116.42 123.92 1ukp h ASP 48 Ca -0.46 -0.88 0.00 0.00 -0.62 0.00 0.00 57.03 55.07 1ukp h ASP 48 Cb 1.27 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1ukp h ASP 48 CO 0.70 1.50 0.11 0.61 -3.12 0.00 0.00 179.24 179.03 1ukp n GLY 49 N 1.50 1.55 3.36 2.75 0.00 -1.17 -2.50 105.19 110.68 1ukp n GLY 49 Ca -0.14 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1ukp n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ukp s VAL 50 N -2.66 1.12 -0.01 1.61 -7.23 -0.15 -1.58 120.40 111.51 1ukp s VAL 50 Ca 0.05 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1ukp s VAL 50 Cb -0.01 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1ukp s VAL 50 CO 0.03 -0.25 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.07 1ukp s MET 51 N -3.86 1.47 -0.05 4.82 0.00 -0.63 -0.12 119.30 120.93 1ukp s MET 51 Ca 0.30 -0.70 -0.07 0.00 0.00 0.00 0.00 55.69 55.23 1ukp s MET 51 Cb 0.06 -1.45 0.01 0.00 0.00 0.00 0.00 34.83 33.46 1ukp s MET 51 CO 0.11 0.39 0.17 0.54 0.00 0.00 0.00 175.02 176.23 1ukp s VAL 52 N -0.49 0.02 0.08 10.11 0.11 -0.38 -1.44 120.40 128.39 1ukp s VAL 52 Ca 0.07 -0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 1ukp s VAL 52 Cb -0.07 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1ukp s VAL 52 CO -0.00 -0.09 1.03 -1.81 -3.33 0.00 0.00 175.10 170.90 1ukp s ASP 53 N -0.25 7.34 -0.91 3.54 1.01 -1.26 -1.17 116.67 124.97 1ukp s ASP 53 Ca -0.03 1.84 -0.05 0.00 0.71 0.00 0.00 52.55 55.02 1ukp s ASP 53 Cb -0.03 -2.58 0.23 0.00 1.01 0.00 0.00 42.92 41.55 1ukp s ASP 53 CO 0.01 -0.23 0.82 -0.69 0.21 0.00 0.00 175.17 175.29 1ukp s VAL 54 N 0.48 4.78 -0.04 -1.27 1.01 0.73 -4.89 120.40 121.21 1ukp s VAL 54 Ca 0.51 -3.54 -0.33 0.00 0.00 0.00 0.00 61.98 58.62 1ukp s VAL 54 Cb -0.25 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 1ukp s VAL 54 CO 0.30 -1.08 1.87 0.79 0.00 0.00 0.00 175.10 176.98 1ukp n TRP 55 N 2.69 2.37 -0.08 5.22 7.02 -1.26 -2.64 117.44 130.77 1ukp n TRP 55 Ca 0.20 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1ukp n TRP 55 Cb 0.38 -2.68 0.29 0.00 -2.42 0.00 0.00 31.31 26.88 1ukp n TRP 55 CO 0.00 0.00 0.00 2.35 -2.02 0.00 0.00 177.69 178.02 1ukp h TRP 56 N 9.16 0.70 0.00 -5.99 7.01 -1.31 -1.53 115.95 123.99 1ukp h TRP 56 Ca -0.48 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.48 1ukp h TRP 56 Cb 1.26 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.10 1ukp h TRP 56 CO 0.87 0.54 -0.05 0.78 -2.79 0.00 0.00 178.44 177.79 1ukp h GLY 57 N 0.84 0.00 0.00 2.65 0.00 -1.80 -2.51 103.07 102.25 1ukp h GLY 57 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1ukp h GLY 57 CO -0.02 0.00 -0.76 1.39 0.00 0.00 0.00 176.54 177.15 1ukp n ILE 58 N -3.28 1.45 -0.03 2.60 5.41 -0.64 -4.19 119.36 120.69 1ukp n ILE 58 Ca -0.01 0.14 -0.08 0.00 1.00 0.00 0.00 62.75 63.80 1ukp n ILE 58 Cb 0.22 -2.30 -0.02 0.00 -0.71 0.00 0.00 39.64 36.83 1ukp n ILE 58 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ukp h ILE 59 N -1.00 0.59 -0.90 1.39 1.08 -1.40 -3.12 117.51 114.15 1ukp h ILE 59 Ca -0.10 0.00 -0.59 0.00 -0.39 0.00 0.00 64.86 63.78 1ukp h ILE 59 Cb 0.74 0.59 -0.30 0.00 -3.07 0.00 0.00 36.82 34.78 1ukp h ILE 59 CO -0.06 0.00 0.45 1.21 -0.69 0.00 0.00 178.15 179.07 1ukp n GLU 60 N -5.30 2.73 -0.05 2.37 2.13 -0.95 -2.16 120.64 119.42 1ukp n GLU 60 Ca -0.02 -3.41 -0.14 0.00 0.66 0.00 0.00 57.16 54.25 1ukp n GLU 60 Cb 0.22 -2.23 -0.08 0.00 0.27 0.00 0.00 31.44 29.62 1ukp n GLU 60 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ukp h LEU 61 N 1.81 0.46 -0.71 4.31 5.85 -1.71 -3.30 115.31 122.03 1ukp h LEU 61 Ca 0.54 -0.55 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1ukp h LEU 61 Cb 1.30 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.07 1ukp h LEU 61 CO 1.28 0.93 -0.08 0.11 -0.34 0.00 0.00 178.44 180.34 1ukp h LYS 62 N 0.02 0.05 0.00 1.25 6.56 -1.84 -3.42 116.57 119.19 1ukp h LYS 62 Ca 0.01 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ukp h LYS 62 Cb 0.85 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1ukp h LYS 62 CO 0.06 0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.89 1ukp n GLY 63 N -1.44 0.22 3.60 3.86 0.00 -1.24 -4.99 105.19 105.21 1ukp n GLY 63 Ca 0.11 -1.07 -0.52 0.00 0.00 0.00 0.00 46.02 44.54 1ukp n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ukp n PRO 64 N -0.54 1.19 -2.11 1.61 -0.02 -1.26 -1.27 135.00 132.60 1ukp n PRO 64 Ca 0.00 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.75 1ukp n PRO 64 Cb 0.00 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1ukp n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ukp n LYS 65 N 2.75 -1.79 -3.68 -0.52 5.02 -1.26 -4.92 118.16 113.76 1ukp n LYS 65 Ca 0.19 0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 56.93 1ukp n LYS 65 Cb 0.19 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 29.77 1ukp n LYS 65 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ukp s GLN 66 N -4.49 2.68 -0.18 1.97 -0.21 -0.40 -5.07 119.66 113.97 1ukp s GLN 66 Ca 0.00 -2.56 -0.10 0.00 0.02 0.00 0.00 55.36 52.72 1ukp s GLN 66 Cb 0.00 -3.79 -0.05 0.00 1.00 0.00 0.00 33.01 30.17 1ukp s GLN 66 CO 0.00 -1.19 0.15 0.71 -2.12 0.00 0.00 175.29 172.84 1ukp s TYR 67 N -0.10 3.46 -0.33 0.91 2.02 -1.26 -4.29 117.35 117.75 1ukp s TYR 67 Ca 0.17 0.40 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 1ukp s TYR 67 Cb -0.19 -2.13 0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1ukp s TYR 67 CO -0.04 0.38 0.03 0.34 -1.57 0.00 0.00 175.55 174.69 1ukp s ASP 68 N 0.07 4.76 0.00 2.29 2.15 -0.92 -4.96 116.67 120.07 1ukp s ASP 68 Ca 0.10 -1.95 0.25 0.00 0.43 0.00 0.00 52.55 51.38 1ukp s ASP 68 Cb -0.11 -1.64 0.38 0.00 -0.30 0.00 0.00 42.92 41.24 1ukp s ASP 68 CO -0.00 -0.35 1.34 0.79 -0.17 0.00 0.00 175.17 176.78 1ukp n TRP 69 N 4.34 0.00 -0.04 -5.34 7.02 -1.26 -4.67 117.44 117.49 1ukp n TRP 69 Ca -0.01 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.32 1ukp n TRP 69 Cb 0.42 -0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.19 1ukp n TRP 69 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ukp h ARG 70 N 2.93 -0.52 -0.98 -0.99 3.08 -1.95 0.15 114.38 116.10 1ukp h ARG 70 Ca 0.00 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1ukp h ARG 70 Cb 0.75 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.84 1ukp h ARG 70 CO 0.00 -0.34 0.62 0.00 -1.07 0.00 0.00 179.97 179.18 1ukp h ALA 71 N -0.19 1.37 -0.16 0.04 0.00 -1.83 -1.47 119.26 117.03 1ukp h ALA 71 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1ukp h ALA 71 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ukp h ALA 71 CO -0.47 0.37 -0.51 1.88 0.00 0.00 0.00 179.25 180.52 1ukp h TYR 72 N 1.10 0.53 -0.54 0.00 0.05 -1.79 -1.76 116.97 114.56 1ukp h TYR 72 Ca 0.43 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 1ukp h TYR 72 Cb 0.23 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1ukp h TYR 72 CO -0.01 0.85 0.25 0.00 -1.05 0.00 0.00 178.16 178.20 1ukp h ARG 73 N 0.34 0.76 -0.55 4.88 3.08 -0.01 0.53 114.38 123.40 1ukp h ARG 73 Ca 0.01 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1ukp h ARG 73 Cb 1.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1ukp h ARG 73 CO 0.09 0.60 -0.00 0.77 -1.07 0.00 0.00 179.97 180.35 1ukp h SER 74 N 0.76 0.96 -0.02 7.04 0.02 -0.87 -0.54 113.55 120.90 1ukp h SER 74 Ca 0.19 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1ukp h SER 74 Cb 0.10 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1ukp h SER 74 CO -0.02 1.03 0.01 0.25 -1.14 0.00 0.00 176.83 176.96 1ukp h LEU 75 N 0.86 0.02 -1.25 5.07 5.85 -0.45 -2.29 115.31 123.11 1ukp h LEU 75 Ca 0.16 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ukp h LEU 75 Cb 0.54 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1ukp h LEU 75 CO 0.03 0.16 0.02 -0.07 -0.34 0.00 0.00 178.44 178.23 1ukp h LEU 76 N -0.12 0.49 -1.05 2.25 4.07 -0.84 -1.53 115.31 118.58 1ukp h LEU 76 Ca 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1ukp h LEU 76 Cb 0.14 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1ukp h LEU 76 CO -0.00 0.55 0.24 -0.61 -1.08 0.00 0.00 178.44 177.53 1ukp h GLN 77 N 0.51 0.92 -0.25 1.13 5.75 -0.89 -1.28 115.11 120.99 1ukp h GLN 77 Ca 0.11 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1ukp h GLN 77 Cb 0.30 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1ukp h GLN 77 CO 0.01 0.76 -0.29 1.25 -2.65 0.00 0.00 178.83 177.91 1ukp h LEU 78 N 0.90 0.68 -0.89 -2.39 5.85 -0.79 -2.04 115.31 116.64 1ukp h LEU 78 Ca 0.21 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1ukp h LEU 78 Cb 0.19 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1ukp h LEU 78 CO -0.02 1.03 0.57 0.58 -0.34 0.00 0.00 178.44 180.26 1ukp h VAL 79 N 0.34 1.09 -0.44 1.05 2.07 -0.99 -1.82 116.25 117.55 1ukp h VAL 79 Ca 0.03 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1ukp h VAL 79 Cb 0.86 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ukp h VAL 79 CO 0.07 0.19 0.01 -0.61 0.02 0.00 0.00 177.57 177.25 1ukp h GLN 80 N 1.06 0.77 0.00 1.57 4.15 -1.14 -2.63 115.11 118.90 1ukp h GLN 80 Ca 0.37 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1ukp h GLN 80 Cb 0.10 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1ukp h GLN 80 CO -0.15 0.83 -0.12 0.93 -1.93 0.00 0.00 178.83 178.39 1ukp h GLU 81 N 0.61 0.00 -0.00 1.69 5.08 -0.79 -0.97 114.58 120.20 1ukp h GLU 81 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ukp h GLU 81 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ukp h GLU 81 CO 0.02 0.12 -0.11 0.00 -1.00 0.00 0.00 179.01 178.04 1ukp n GLY 83 N 1.34 0.42 3.38 0.00 0.00 -0.37 -4.93 105.19 105.03 1ukp n GLY 83 Ca 0.12 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1ukp n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukp s LEU 84 N -1.76 2.29 0.66 0.99 1.43 -1.03 -4.98 118.68 116.29 1ukp s LEU 84 Ca 0.06 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1ukp s LEU 84 Cb -0.03 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 44.99 1ukp s LEU 84 CO 0.07 0.20 0.94 0.42 0.23 0.00 0.00 176.35 178.22 1ukp s THR 85 N -0.99 2.39 -0.03 5.49 -4.23 -1.04 -4.35 115.64 112.88 1ukp s THR 85 Ca 0.13 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1ukp s THR 85 Cb -0.10 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1ukp s THR 85 CO 0.05 -0.00 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.86 1ukp s LEU 86 N -5.10 1.48 -0.34 4.79 1.98 -0.11 -0.98 118.68 120.41 1ukp s LEU 86 Ca 0.59 -0.12 -0.11 0.00 -2.89 0.00 0.00 54.13 51.60 1ukp s LEU 86 Cb -0.11 -0.40 -0.00 0.00 0.66 0.00 0.00 46.19 46.34 1ukp s LEU 86 CO 0.43 -0.02 0.21 -1.10 -1.89 0.00 0.00 176.35 173.97 1ukp s GLN 87 N 0.66 3.29 -0.24 1.98 -0.21 0.83 -2.27 119.66 123.70 1ukp s GLN 87 Ca -0.08 -0.77 -0.10 0.00 0.02 0.00 0.00 55.36 54.43 1ukp s GLN 87 Cb -0.12 -3.71 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 1ukp s GLN 87 CO 0.00 -0.50 0.15 0.00 -2.12 0.00 0.00 175.29 172.82 1ukp s ALA 88 N 1.65 3.54 -0.23 6.09 0.00 -1.01 -1.25 121.76 130.56 1ukp s ALA 88 Ca 0.05 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1ukp s ALA 88 Cb -0.18 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1ukp s ALA 88 CO 0.08 -0.25 0.30 0.42 0.00 0.00 0.00 175.76 176.31 1ukp s ILE 89 N 1.17 5.26 -0.95 0.00 1.01 -0.32 -1.11 121.20 126.26 1ukp s ILE 89 Ca 0.07 0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 1ukp s ILE 89 Cb -0.14 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.77 1ukp s ILE 89 CO 0.05 0.27 1.32 -0.04 0.00 0.00 0.00 174.94 176.54 1ukp s MET 90 N 1.34 3.52 -0.90 2.79 -1.94 0.27 -0.19 119.30 124.19 1ukp s MET 90 Ca 0.14 -1.18 -0.21 0.00 -1.71 0.00 0.00 55.69 52.73 1ukp s MET 90 Cb -0.14 -5.05 0.10 0.00 2.01 0.00 0.00 34.83 31.74 1ukp s MET 90 CO 0.07 -2.06 1.19 -1.12 -0.01 0.00 0.00 175.02 173.09 1ukp s SER 91 N 4.42 6.50 -0.34 3.03 0.01 -1.08 -1.26 113.70 124.99 1ukp s SER 91 Ca 0.40 -1.66 0.02 0.00 1.31 0.00 0.00 55.95 56.02 1ukp s SER 91 Cb -0.03 -2.45 0.40 0.00 0.21 0.00 0.00 66.02 64.15 1ukp s SER 91 CO -0.06 -1.27 1.72 0.49 0.41 0.00 0.00 173.24 174.52 1ukp n PHE 92 N 7.47 2.06 -4.36 2.43 3.72 -1.26 -0.88 117.46 126.64 1ukp n PHE 92 Ca 0.21 -1.65 -0.18 0.00 -0.05 0.00 0.00 57.45 55.78 1ukp n PHE 92 Cb 0.49 -0.82 -0.10 0.00 -0.94 0.00 0.00 39.48 38.11 1ukp n PHE 92 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1ukp s HIS 93 N -2.27 1.63 0.17 1.38 -3.43 -1.26 -4.72 115.29 106.78 1ukp s HIS 93 Ca 0.39 -1.19 -0.27 0.00 -0.80 0.00 0.00 55.06 53.19 1ukp s HIS 93 Cb 0.32 -0.97 -0.08 0.00 -1.43 0.00 0.00 32.58 30.42 1ukp s HIS 93 CO 0.05 -0.32 0.83 -1.14 -2.00 0.00 0.00 174.74 172.16 1ukp s GLN 94 N -3.95 4.64 -0.10 -0.38 0.74 -0.21 -4.69 119.66 115.72 1ukp s GLN 94 Ca 0.36 1.25 -0.15 0.00 0.05 0.00 0.00 55.36 56.87 1ukp s GLN 94 Cb 0.07 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 1ukp s GLN 94 CO 0.15 0.50 0.37 0.00 -0.55 0.00 0.00 175.29 175.76 1ukp n GLY 96 N 2.80 1.13 0.00 0.00 0.00 -1.24 -1.09 105.19 106.80 1ukp n GLY 96 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1ukp n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukp n GLY 97 N 0.00 1.99 3.94 -0.02 0.00 -1.26 -4.90 105.19 104.94 1ukp n GLY 97 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ukp n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukp s ASN 98 N -1.93 6.36 0.06 1.61 0.01 -1.26 -4.96 114.94 114.83 1ukp s ASN 98 Ca 0.00 0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 52.19 1ukp s ASN 98 Cb 0.00 -1.99 -0.09 0.00 0.41 0.00 0.00 41.25 39.59 1ukp s ASN 98 CO 0.00 -0.08 1.78 0.54 -1.51 0.00 0.00 177.10 177.83 1ukp s VAL 99 N -1.95 2.96 0.00 1.60 0.11 -1.26 -1.49 120.40 120.37 1ukp s VAL 99 Ca 0.38 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1ukp s VAL 99 Cb -0.10 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1ukp s VAL 99 CO 0.30 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1ukp n GLY 100 N 4.21 2.42 3.69 6.54 0.00 -1.26 -5.07 105.19 115.71 1ukp n GLY 100 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ukp n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukp s ASP 101 N -1.56 7.05 -0.08 1.61 -0.00 -0.55 -4.94 116.67 118.19 1ukp s ASP 101 Ca 0.00 1.80 -0.25 0.00 -0.00 0.00 0.00 52.55 54.10 1ukp s ASP 101 Cb 0.00 -2.56 -0.21 0.00 -0.00 0.00 0.00 42.92 40.16 1ukp s ASP 101 CO 0.00 -0.59 0.93 0.40 -0.00 0.00 0.00 175.17 175.91 1ukp h ILE 102 N 5.05 1.38 -3.58 0.77 2.04 -1.98 -3.43 117.51 117.76 1ukp h ILE 102 Ca -0.34 -1.62 -0.67 0.00 1.00 0.00 0.00 64.86 63.24 1ukp h ILE 102 Cb 1.16 2.41 -0.17 0.00 -0.74 0.00 0.00 36.82 39.48 1ukp h ILE 102 CO 0.89 0.39 -0.11 -0.69 0.00 0.00 0.00 178.15 178.63 1ukp s VAL 103 N -3.15 5.03 -0.21 1.67 1.01 -1.26 -5.04 120.40 118.44 1ukp s VAL 103 Ca -0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1ukp s VAL 103 Cb -0.01 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1ukp s VAL 103 CO 0.61 -0.38 -0.10 0.20 0.00 0.00 0.00 175.10 175.43 1ukp s ASN 104 N 1.83 3.90 -0.34 3.32 0.01 -1.26 -3.60 114.94 118.80 1ukp s ASN 104 Ca 0.16 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1ukp s ASN 104 Cb -0.16 -1.63 0.11 0.00 0.41 0.00 0.00 41.25 39.98 1ukp s ASN 104 CO 0.14 -0.04 0.12 -0.63 -1.51 0.00 0.00 177.10 175.18 1ukp s ILE 105 N 1.37 1.13 0.80 0.60 1.01 -0.25 -4.94 121.20 120.93 1ukp s ILE 105 Ca 0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1ukp s ILE 105 Cb -0.14 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.56 1ukp s ILE 105 CO -0.07 -0.71 1.09 -2.16 0.00 0.00 0.00 174.94 173.09 1ukp s PRO 106 N 1.29 2.04 1.02 2.79 0.04 -1.26 -0.21 135.00 140.72 1ukp s PRO 106 Ca 0.11 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1ukp s PRO 106 Cb -0.19 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 32.65 1ukp s PRO 106 CO -0.18 -1.66 1.08 0.96 0.04 0.00 0.00 177.00 177.23 1ukp s ILE 107 N -3.11 2.17 0.15 0.56 -4.36 -1.26 -4.18 121.20 111.16 1ukp s ILE 107 Ca 0.61 0.05 -0.33 0.00 -0.26 0.00 0.00 60.65 60.72 1ukp s ILE 107 Cb -0.15 -2.41 -0.17 0.00 1.25 0.00 0.00 42.46 40.98 1ukp s ILE 107 CO 0.55 -0.07 0.99 -2.65 0.24 0.00 0.00 174.94 174.00 1ukp n PRO 108 N -4.33 0.65 -0.12 0.37 -0.02 -1.26 -4.81 135.00 125.48 1ukp n PRO 108 Ca 0.05 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1ukp n PRO 108 Cb 0.56 -1.61 0.33 0.00 -0.02 0.00 0.00 33.50 32.76 1ukp n PRO 108 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ukp h GLN 109 N 2.69 0.77 0.00 -0.52 5.75 -1.89 -0.90 115.11 121.01 1ukp h GLN 109 Ca -0.41 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1ukp h GLN 109 Cb 1.38 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 1ukp h GLN 109 CO 0.66 0.51 -0.06 0.11 -2.65 0.00 0.00 178.83 177.40 1ukp h TRP 110 N 0.79 0.00 0.22 3.99 5.08 -1.89 0.13 115.95 124.27 1ukp h TRP 110 Ca 0.22 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.90 1ukp h TRP 110 Cb -0.07 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.13 1ukp h TRP 110 CO -0.00 0.06 -1.28 0.28 -1.28 0.00 0.00 178.44 176.22 1ukp h VAL 111 N 0.00 1.35 -0.21 0.12 2.07 -1.53 -3.13 116.25 114.92 1ukp h VAL 111 Ca -0.00 -2.64 -0.04 0.00 0.82 0.00 0.00 66.70 64.84 1ukp h VAL 111 Cb 0.25 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1ukp h VAL 111 CO 0.01 0.78 -0.06 -0.07 0.02 0.00 0.00 177.57 178.25 1ukp h LEU 112 N -0.02 0.30 -0.88 2.57 3.38 -0.81 -1.25 115.31 118.60 1ukp h LEU 112 Ca -0.22 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ukp h LEU 112 Cb 2.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 1ukp h LEU 112 CO 0.23 0.40 0.22 0.44 0.09 0.00 0.00 178.44 179.83 1ukp h ASP 113 N 0.31 0.97 -0.37 -0.43 3.32 -0.82 -1.08 116.42 118.33 1ukp h ASP 113 Ca 0.07 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1ukp h ASP 113 Cb 0.31 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1ukp h ASP 113 CO 0.01 0.90 -0.15 0.40 -1.72 0.00 0.00 179.24 178.69 1ukp h ILE 114 N 1.01 1.26 0.00 0.35 2.04 -1.31 -2.39 117.51 118.47 1ukp h ILE 114 Ca 0.22 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1ukp h ILE 114 Cb 0.28 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1ukp h ILE 114 CO -0.01 0.43 -0.05 1.23 0.00 0.00 0.00 178.15 179.75 1ukp h GLY 115 N 0.96 0.00 1.41 5.37 0.00 -0.18 0.49 103.07 111.12 1ukp h GLY 115 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 1ukp h GLY 115 CO 0.05 0.00 0.11 0.83 0.00 0.00 0.00 176.54 177.53 1ukp h GLU 116 N 0.00 0.75 0.00 4.80 4.39 -0.69 -2.70 114.58 121.13 1ukp h GLU 116 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1ukp h GLU 116 Cb 0.08 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ukp h GLU 116 CO 0.01 0.68 -0.93 0.43 -1.16 0.00 0.00 179.01 178.04 1ukp n SER 117 N -4.29 0.69 -3.44 1.42 7.64 -0.72 -4.65 113.62 110.28 1ukp n SER 117 Ca 0.03 -0.49 -0.28 0.00 1.01 0.00 0.00 58.87 59.14 1ukp n SER 117 Cb 0.22 0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 64.09 1ukp n SER 117 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ukp s ASN 118 N -3.39 2.50 0.11 6.43 3.04 0.08 -4.98 114.94 118.73 1ukp s ASN 118 Ca 0.07 -2.37 0.16 0.00 0.04 0.00 0.00 52.86 50.76 1ukp s ASN 118 Cb 0.16 -0.35 0.70 0.00 -1.54 0.00 0.00 41.25 40.22 1ukp s ASN 118 CO 0.80 -0.27 1.50 1.41 -3.04 0.00 0.00 177.10 177.50 1ukp n HIS 119 N 3.76 0.32 1.16 0.43 8.25 -1.07 -3.04 115.22 125.03 1ukp n HIS 119 Ca 0.16 0.14 0.03 0.00 -0.26 0.00 0.00 57.72 57.79 1ukp n HIS 119 Cb 0.40 -0.72 0.09 0.00 1.12 0.00 0.00 29.99 30.88 1ukp n HIS 119 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ukp n ASP 120 N -1.80 1.35 0.02 0.41 8.00 -1.26 -3.24 116.55 120.02 1ukp n ASP 120 Ca 0.02 -2.06 0.12 0.00 0.71 0.00 0.00 54.79 53.59 1ukp n ASP 120 Cb 0.16 -0.23 0.30 0.00 -0.02 0.00 0.00 41.12 41.32 1ukp n ASP 120 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ukp n ILE 121 N 0.10 0.14 -3.97 0.53 -5.35 -1.17 -4.67 119.36 104.96 1ukp n ILE 121 Ca 0.07 -0.10 -0.29 0.00 -0.27 0.00 0.00 62.75 62.16 1ukp n ILE 121 Cb 0.25 -0.04 -0.04 0.00 -1.74 0.00 0.00 39.64 38.06 1ukp n ILE 121 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ukp s PHE 122 N -3.06 3.40 0.35 4.28 0.08 -1.20 -0.91 117.98 120.91 1ukp s PHE 122 Ca 0.10 0.15 -0.29 0.00 0.12 0.00 0.00 56.93 57.01 1ukp s PHE 122 Cb 0.16 -1.68 -0.11 0.00 -0.57 0.00 0.00 43.02 40.83 1ukp s PHE 122 CO 0.67 0.55 1.49 0.71 -0.10 0.00 0.00 175.22 178.54 1ukp s TYR 123 N -1.57 2.68 -0.02 0.36 2.02 -1.24 -4.69 117.35 114.89 1ukp s TYR 123 Ca 0.33 1.10 0.02 0.00 -0.37 0.00 0.00 57.07 58.16 1ukp s TYR 123 Cb -0.12 -3.99 0.00 0.00 -0.40 0.00 0.00 41.96 37.45 1ukp s TYR 123 CO 0.26 -3.01 -0.08 0.99 -1.57 0.00 0.00 175.55 172.15 1ukp s THR 124 N -0.84 0.67 0.61 -0.71 2.01 -1.25 -1.43 115.64 114.70 1ukp s THR 124 Ca 0.55 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.22 1ukp s THR 124 Cb -0.46 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 71.52 1ukp s THR 124 CO 0.58 0.21 0.86 0.54 -0.69 0.00 0.00 174.62 176.12 1ukp s ASN 125 N 0.06 5.00 0.30 3.53 4.22 -1.10 -1.72 114.94 125.24 1ukp s ASN 125 Ca -0.01 -0.01 0.02 0.00 -2.14 0.00 0.00 52.86 50.72 1ukp s ASN 125 Cb -0.06 -0.73 0.57 0.00 1.28 0.00 0.00 41.25 42.31 1ukp s ASN 125 CO 0.00 -1.37 1.88 -0.09 -2.04 0.00 0.00 177.10 175.49 1ukp h ARG 126 N -0.16 0.95 0.00 3.55 2.43 -1.93 0.29 114.38 119.51 1ukp h ARG 126 Ca -0.41 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1ukp h ARG 126 Cb 1.29 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1ukp h ARG 126 CO 0.51 0.63 0.00 0.43 -1.51 0.00 0.00 179.97 180.03 1ukp n SER 127 N -4.53 0.00 0.00 -3.80 7.64 -1.26 -4.87 113.62 106.80 1ukp n SER 127 Ca 0.16 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1ukp n SER 127 Cb 0.28 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1ukp n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukp n GLY 128 N -0.13 0.71 3.72 0.23 0.00 0.09 -5.06 105.19 104.76 1ukp n GLY 128 Ca 0.05 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1ukp n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukp s THR 129 N -2.00 4.93 -0.11 2.61 2.01 -1.26 -4.86 115.64 116.96 1ukp s THR 129 Ca 0.00 1.71 -0.15 0.00 0.31 0.00 0.00 61.69 63.56 1ukp s THR 129 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1ukp s THR 129 CO 0.00 0.23 0.37 -0.13 -0.69 0.00 0.00 174.62 174.41 1ukp s ARG 130 N 0.74 4.17 -0.32 4.92 1.81 -1.26 -2.72 118.95 126.29 1ukp s ARG 130 Ca 0.43 0.28 -0.13 0.00 -1.72 0.00 0.00 55.73 54.59 1ukp s ARG 130 Cb -0.19 -3.37 -0.03 0.00 -0.45 0.00 0.00 34.95 30.91 1ukp s ARG 130 CO 0.23 0.34 0.24 1.21 -0.68 0.00 0.00 175.30 176.64 1ukp s ASN 131 N 0.09 6.07 -0.13 0.23 3.84 -0.51 -4.97 114.94 119.55 1ukp s ASN 131 Ca 0.21 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 53.13 1ukp s ASN 131 Cb -0.14 -2.14 0.52 0.00 -0.55 0.00 0.00 41.25 38.93 1ukp s ASN 131 CO 0.08 -0.19 1.32 0.29 -2.79 0.00 0.00 177.10 175.82 1ukp n LYS 132 N 5.12 3.33 0.08 0.43 5.02 -1.26 -3.66 118.16 127.22 1ukp n LYS 132 Ca -0.13 -2.00 0.12 0.00 -2.02 0.00 0.00 58.31 54.28 1ukp n LYS 132 Cb 0.50 -1.91 0.20 0.00 -0.02 0.00 0.00 35.03 33.80 1ukp n LYS 132 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1ukp h GLU 133 N 2.64 0.00 -2.51 1.97 4.11 -1.96 -3.44 114.58 115.39 1ukp h GLU 133 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ukp h GLU 133 Cb 1.34 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.44 1ukp h GLU 133 CO 0.27 0.00 0.23 -0.47 0.07 0.00 0.00 179.01 179.11 1ukp s TYR 134 N -3.18 -0.57 -0.01 2.06 5.04 -1.26 -1.04 117.35 118.40 1ukp s TYR 134 Ca 0.06 0.65 -0.26 0.00 -2.44 0.00 0.00 57.07 55.08 1ukp s TYR 134 Cb 0.12 0.50 -0.04 0.00 0.35 0.00 0.00 41.96 42.89 1ukp s TYR 134 CO 0.70 -0.72 0.82 -0.51 -1.34 0.00 0.00 175.55 174.51 1ukp s LEU 135 N -2.05 4.38 0.54 6.97 1.43 -1.26 -4.17 118.68 124.52 1ukp s LEU 135 Ca -0.04 1.44 -0.21 0.00 -1.03 0.00 0.00 54.13 54.29 1ukp s LEU 135 Cb -0.01 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 1ukp s LEU 135 CO -0.03 -0.12 1.24 1.07 0.23 0.00 0.00 176.35 178.74 1ukp n THR 136 N 3.50 3.68 0.25 5.49 5.66 -0.09 -4.83 114.28 127.94 1ukp n THR 136 Ca 0.01 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1ukp n THR 136 Cb 0.51 -1.51 0.77 0.00 -1.55 0.00 0.00 70.33 68.55 1ukp n THR 136 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1ukp h VAL 137 N 1.25 0.00 0.00 1.08 3.04 -1.95 -1.94 116.25 117.73 1ukp h VAL 137 Ca -0.50 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1ukp h VAL 137 Cb 1.32 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1ukp h VAL 137 CO 0.56 0.00 -0.05 1.23 -1.01 0.00 0.00 177.57 178.30 1ukp h GLY 138 N 0.42 0.00 -1.73 3.17 0.00 -1.94 -2.46 103.07 100.53 1ukp h GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ukp h GLY 138 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 1ukp n VAL 139 N -3.53 2.26 -0.25 4.60 0.24 -0.73 -4.66 118.33 116.26 1ukp n VAL 139 Ca -0.02 -1.81 0.03 0.00 -2.04 0.00 0.00 64.34 60.50 1ukp n VAL 139 Cb 0.16 -0.22 0.16 0.00 -1.47 0.00 0.00 33.84 32.46 1ukp n VAL 139 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ukp h ASP 140 N 1.98 0.44 -0.29 -1.34 3.32 -1.56 -2.74 116.42 116.23 1ukp h ASP 140 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1ukp h ASP 140 Cb 1.45 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.93 1ukp h ASP 140 CO 0.23 0.24 -0.08 0.59 -1.72 0.00 0.00 179.24 178.49 1ukp n ASN 141 N -4.88 2.71 -4.53 6.45 5.03 -1.26 -1.58 115.26 117.19 1ukp n ASN 141 Ca 0.12 -3.58 -0.39 0.00 0.87 0.00 0.00 54.58 51.60 1ukp n ASN 141 Cb 0.31 -0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 38.37 1ukp n ASN 141 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ukp s GLU 142 N -3.14 3.67 -0.84 3.52 0.41 -1.05 -4.96 118.70 116.32 1ukp s GLU 142 Ca 0.43 -0.51 -0.07 0.00 -0.41 0.00 0.00 54.97 54.41 1ukp s GLU 142 Cb 0.38 -3.67 -0.13 0.00 -1.78 0.00 0.00 34.13 28.93 1ukp s GLU 142 CO 0.01 -0.31 2.84 -0.35 -0.49 0.00 0.00 175.26 176.97 1ukp n PRO 143 N 5.05 2.56 -0.22 0.39 -0.04 -1.26 -3.96 135.00 137.53 1ukp n PRO 143 Ca -0.14 -1.51 0.10 0.00 -0.04 0.00 0.00 63.50 61.92 1ukp n PRO 143 Cb 0.51 -2.38 0.22 0.00 -0.04 0.00 0.00 33.50 31.80 1ukp n PRO 143 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ukp n ILE 144 N 3.33 0.69 -3.55 0.52 -5.35 -1.17 -4.03 119.36 109.79 1ukp n ILE 144 Ca 0.55 -0.84 -0.39 0.00 -0.27 0.00 0.00 62.75 61.79 1ukp n ILE 144 Cb 0.42 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.06 1ukp n ILE 144 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ukp s PHE 145 N -1.21 3.88 -1.61 4.28 0.08 -0.30 -4.67 117.98 118.42 1ukp s PHE 145 Ca 0.36 -2.80 -0.10 0.00 0.12 0.00 0.00 56.93 54.51 1ukp s PHE 145 Cb 0.20 -3.42 0.09 0.00 -0.57 0.00 0.00 43.02 39.32 1ukp s PHE 145 CO 0.27 -0.83 0.52 0.72 -0.10 0.00 0.00 175.22 175.81 1ukp n HIS 146 N 2.77 -1.57 0.00 0.36 8.25 -1.26 -0.66 115.22 123.11 1ukp n HIS 146 Ca 0.19 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1ukp n HIS 146 Cb 0.39 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.45 1ukp n HIS 146 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukp n GLY 147 N -1.74 3.16 3.93 -1.41 0.00 -1.26 -5.06 105.19 102.82 1ukp n GLY 147 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1ukp n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukp s ARG 148 N -0.35 3.50 0.61 1.61 0.52 0.16 -4.72 118.95 120.28 1ukp s ARG 148 Ca 0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1ukp s ARG 148 Cb 0.00 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.69 1ukp s ARG 148 CO 0.00 0.37 0.86 0.95 0.02 0.00 0.00 175.30 177.50 1ukp s THR 149 N -1.94 2.51 0.13 0.02 -4.23 -1.25 -1.16 115.64 109.73 1ukp s THR 149 Ca 0.38 -0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1ukp s THR 149 Cb -0.11 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1ukp s THR 149 CO 0.30 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.09 1ukp h ALA 150 N -0.16 0.48 -0.55 3.99 0.00 -1.37 -2.15 119.26 119.50 1ukp h ALA 150 Ca -0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ukp h ALA 150 Cb 1.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1ukp h ALA 150 CO 0.53 0.04 0.31 0.82 0.00 0.00 0.00 179.25 180.94 1ukp h ILE 151 N 0.46 1.16 -0.46 0.00 2.04 -1.55 -1.11 117.51 118.06 1ukp h ILE 151 Ca 0.13 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1ukp h ILE 151 Cb 0.12 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1ukp h ILE 151 CO -0.02 0.18 -0.08 -0.33 0.00 0.00 0.00 178.15 177.90 1ukp h GLU 152 N 0.75 0.81 0.20 2.37 5.08 -1.72 -0.36 114.58 121.73 1ukp h GLU 152 Ca 0.20 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ukp h GLU 152 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ukp h GLU 152 CO -0.03 0.87 -0.17 0.82 -1.00 0.00 0.00 179.01 179.50 1ukp h ILE 153 N 0.74 0.63 -0.64 3.13 2.04 -0.59 0.11 117.51 122.94 1ukp h ILE 153 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1ukp h ILE 153 Cb 0.57 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1ukp h ILE 153 CO 0.03 0.00 0.39 1.88 0.00 0.00 0.00 178.15 180.45 1ukp h TYR 154 N -0.39 0.83 -0.06 1.37 0.05 -1.11 -1.43 116.97 116.24 1ukp h TYR 154 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1ukp h TYR 154 Cb 0.35 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1ukp h TYR 154 CO -0.12 0.55 -0.02 1.03 -1.05 0.00 0.00 178.16 178.55 1ukp h SER 155 N 0.88 0.13 -0.82 3.88 0.87 -0.66 -2.11 113.55 115.72 1ukp h SER 155 Ca 0.23 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1ukp h SER 155 Cb -0.04 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1ukp h SER 155 CO -0.04 0.48 0.44 0.44 -0.53 0.00 0.00 176.83 177.61 1ukp h ASP 156 N -0.23 1.03 0.14 6.23 3.32 -0.56 -1.32 116.42 125.04 1ukp h ASP 156 Ca 0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ukp h ASP 156 Cb 0.42 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ukp h ASP 156 CO 0.01 0.84 -0.12 0.22 -1.72 0.00 0.00 179.24 178.47 1ukp h TYR 157 N 1.15 -0.31 -0.46 4.55 3.20 -1.22 -0.77 116.97 123.12 1ukp h TYR 157 Ca 0.29 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 1ukp h TYR 157 Cb 0.05 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1ukp h TYR 157 CO 0.01 -0.18 0.12 0.52 -1.64 0.00 0.00 178.16 176.98 1ukp h MET 158 N -0.27 0.69 -0.35 1.82 2.86 -1.12 -1.15 114.93 117.41 1ukp h MET 158 Ca -0.00 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1ukp h MET 158 Cb 0.25 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1ukp h MET 158 CO -0.02 0.62 -0.11 0.87 1.06 0.00 0.00 176.91 179.33 1ukp h LYS 159 N 0.67 0.69 -0.60 1.72 1.57 -0.98 -1.13 116.57 118.52 1ukp h LYS 159 Ca 0.15 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1ukp h LYS 159 Cb 0.24 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1ukp h LYS 159 CO -0.00 0.87 0.20 1.03 -0.57 0.00 0.00 179.45 180.97 1ukp h SER 160 N 0.48 0.83 -0.11 0.86 0.87 -0.85 -1.41 113.55 114.22 1ukp h SER 160 Ca 0.09 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ukp h SER 160 Cb 0.63 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1ukp h SER 160 CO 0.04 0.77 0.05 0.15 -0.53 0.00 0.00 176.83 177.32 1ukp h PHE 161 N 0.87 0.15 -0.87 2.24 3.57 -1.00 0.39 116.94 122.29 1ukp h PHE 161 Ca 0.20 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1ukp h PHE 161 Cb 0.24 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1ukp h PHE 161 CO 0.02 0.19 0.58 -0.09 -2.23 0.00 0.00 178.31 176.78 1ukp h ARG 162 N 0.06 1.15 -0.13 1.11 1.12 -0.80 0.11 114.38 117.01 1ukp h ARG 162 Ca 0.04 -0.07 -0.09 0.00 -1.11 0.00 0.00 59.98 58.75 1ukp h ARG 162 Cb 0.10 -0.26 0.00 0.00 -0.01 0.00 0.00 29.97 29.80 1ukp h ARG 162 CO -0.01 0.76 -0.26 0.93 -3.11 0.00 0.00 179.97 178.29 1ukp h GLU 163 N 1.19 0.40 0.00 0.20 5.08 -1.05 -2.33 114.58 118.07 1ukp h GLU 163 Ca 0.32 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ukp h GLU 163 Cb -0.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ukp h GLU 163 CO -0.07 0.86 0.00 -0.91 -1.00 0.00 0.00 179.01 177.89 1ukp h ASN 164 N -0.01 0.00 -0.18 1.42 2.35 -0.66 -3.02 115.58 115.48 1ukp h ASN 164 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1ukp h ASN 164 Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1ukp h ASN 164 CO 0.06 0.00 -0.01 0.23 -1.65 0.00 0.00 177.43 176.06 1ukp n MET 165 N -2.54 2.38 -0.32 0.81 2.81 0.37 -4.75 117.12 115.87 1ukp n MET 165 Ca 0.04 -2.78 0.14 0.00 -1.81 0.00 0.00 57.70 53.29 1ukp n MET 165 Cb 0.39 -1.74 0.37 0.00 -0.71 0.00 0.00 33.22 31.53 1ukp n MET 165 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ukp h SER 166 N 1.22 0.69 -0.03 7.83 4.64 -1.28 -1.06 113.55 125.57 1ukp h SER 166 Ca 0.01 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1ukp h SER 166 Cb 1.32 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ukp h SER 166 CO 0.16 0.27 -0.58 -2.24 -0.87 0.00 0.00 176.83 173.57 1ukp h ASP 167 N 0.69 0.70 0.17 4.97 2.03 -1.86 -1.14 116.42 121.99 1ukp h ASP 167 Ca 0.53 -0.39 -0.13 0.00 -0.73 0.00 0.00 57.03 56.32 1ukp h ASP 167 Cb 0.93 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.21 1ukp h ASP 167 CO -0.30 1.13 -0.47 -0.26 -1.03 0.00 0.00 179.24 178.31 1ukp h PHE 168 N 0.47 0.43 -0.06 4.15 0.04 -1.61 -0.09 116.94 120.28 1ukp h PHE 168 Ca 0.00 -0.13 -0.19 0.00 2.80 0.00 0.00 57.97 60.44 1ukp h PHE 168 Cb 1.15 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 1ukp h PHE 168 CO 0.05 0.76 -0.79 -0.07 -0.60 0.00 0.00 178.31 177.67 1ukp h LEU 169 N 0.28 0.48 -0.35 1.54 3.38 -1.24 -1.14 115.31 118.27 1ukp h LEU 169 Ca 0.02 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1ukp h LEU 169 Cb 0.94 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ukp h LEU 169 CO 0.08 1.09 -0.01 -0.08 0.09 0.00 0.00 178.44 179.61 1ukp h GLU 170 N 0.26 0.62 0.00 1.13 4.57 -0.91 -2.73 114.58 117.52 1ukp h GLU 170 Ca -0.04 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1ukp h GLU 170 Cb 1.38 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1ukp h GLU 170 CO 0.13 0.74 0.00 -1.13 -1.18 0.00 0.00 179.01 177.58 1ukp n SER 171 N -4.50 0.00 0.00 1.04 3.41 -0.07 -4.87 113.62 108.63 1ukp n SER 171 Ca -0.02 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ukp n SER 171 Cb 0.28 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1ukp n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ukp n GLY 172 N 0.21 0.46 0.19 5.00 0.00 -1.03 -4.96 105.19 105.07 1ukp n GLY 172 Ca 0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1ukp n GLY 172 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ukp h LEU 173 N 0.00 0.59 -8.98 0.99 5.85 -1.45 -3.41 115.31 108.89 1ukp h LEU 173 Ca 0.00 -0.32 -0.61 0.00 0.84 0.00 0.00 57.88 57.79 1ukp h LEU 173 Cb 0.00 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 40.75 1ukp h LEU 173 CO 0.00 0.76 0.09 -0.63 -0.34 0.00 0.00 178.44 178.32 1ukp s ILE 174 N -4.96 5.02 -0.18 4.05 1.01 -1.24 -0.94 121.20 123.97 1ukp s ILE 174 Ca -0.13 1.02 0.22 0.00 0.00 0.00 0.00 60.65 61.76 1ukp s ILE 174 Cb 0.09 -3.89 -0.23 0.00 0.01 0.00 0.00 42.46 38.44 1ukp s ILE 174 CO 0.78 0.05 0.69 2.30 0.00 0.00 0.00 174.94 178.76 1ukp n ILE 175 N 5.18 0.17 -3.54 2.92 -5.35 -0.96 -4.63 119.36 113.15 1ukp n ILE 175 Ca -0.02 -0.47 -0.15 0.00 -0.27 0.00 0.00 62.75 61.85 1ukp n ILE 175 Cb 0.49 -0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.32 1ukp n ILE 175 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1ukp s ASP 176 N -4.61 -0.53 -0.26 7.28 1.47 -1.26 -1.22 116.67 117.53 1ukp s ASP 176 Ca -0.04 0.56 -0.04 0.00 1.18 0.00 0.00 52.55 54.20 1ukp s ASP 176 Cb 0.13 0.44 0.01 0.00 -0.34 0.00 0.00 42.92 43.17 1ukp s ASP 176 CO 0.87 -0.51 -0.00 -0.63 0.68 0.00 0.00 175.17 175.58 1ukp s ILE 177 N -1.27 3.38 -0.28 2.11 -1.09 0.54 -2.40 121.20 122.19 1ukp s ILE 177 Ca -0.07 -0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 57.37 1ukp s ILE 177 Cb -0.00 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1ukp s ILE 177 CO 0.06 0.18 0.45 -0.70 -1.23 0.00 0.00 174.94 173.69 1ukp s GLU 178 N 1.41 3.96 -0.23 2.79 2.12 -0.27 -1.40 118.70 127.08 1ukp s GLU 178 Ca 0.02 0.11 -0.22 0.00 0.36 0.00 0.00 54.97 55.23 1ukp s GLU 178 Cb -0.17 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 1ukp s GLU 178 CO -0.02 -0.37 0.72 0.08 -0.54 0.00 0.00 175.26 175.14 1ukp s VAL 179 N 2.21 4.93 0.24 3.70 1.01 0.45 -0.57 120.40 132.36 1ukp s VAL 179 Ca 0.18 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1ukp s VAL 179 Cb -0.16 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1ukp s VAL 179 CO 0.10 0.00 1.27 -0.83 0.00 0.00 0.00 175.10 175.64 1ukp s GLY 180 N 1.36 2.67 -0.03 4.51 0.00 -0.39 -4.50 107.32 110.95 1ukp s GLY 180 Ca 0.31 1.09 0.04 0.00 0.00 0.00 0.00 44.72 46.16 1ukp s GLY 180 CO 0.09 1.94 0.88 1.04 0.00 0.00 0.00 173.10 177.05 1ukp n LEU 181 N 2.05 1.11 0.00 0.66 4.77 -0.76 -4.74 117.00 120.09 1ukp n LEU 181 Ca 0.04 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1ukp n LEU 181 Cb 0.43 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ukp n LEU 181 CO 0.57 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1ukp n GLY 182 N -0.45 -0.53 3.68 -0.72 0.00 -0.99 -4.44 105.19 101.74 1ukp n GLY 182 Ca 0.03 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 1ukp n GLY 182 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ukp n PRO 183 N 0.00 2.13 -1.84 1.61 -0.02 -1.25 -0.22 135.00 135.42 1ukp n PRO 183 Ca 0.00 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 62.04 1ukp n PRO 183 Cb 0.00 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 30.95 1ukp n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ukp n ALA 184 N 2.48 -0.41 -0.82 3.55 0.00 -1.26 -1.66 120.51 122.39 1ukp n ALA 184 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ukp n ALA 184 Cb 0.31 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ukp n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 185 N -0.56 0.78 3.84 0.00 0.00 0.70 -5.00 105.19 104.94 1ukp n GLY 185 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1ukp n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukp s GLU 186 N -0.27 4.02 -0.91 1.61 2.02 -0.66 -1.82 118.70 122.69 1ukp s GLU 186 Ca 0.00 0.57 -0.24 0.00 0.02 0.00 0.00 54.97 55.31 1ukp s GLU 186 Cb 0.00 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.44 1ukp s GLU 186 CO 0.00 0.40 1.47 -1.17 0.02 0.00 0.00 175.26 175.97 1ukp s LEU 187 N -2.21 3.36 0.03 1.80 2.96 -0.43 -2.35 118.68 121.84 1ukp s LEU 187 Ca 0.42 -1.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.04 1ukp s LEU 187 Cb -0.14 -2.56 0.10 0.00 0.50 0.00 0.00 46.19 44.08 1ukp s LEU 187 CO 0.20 -1.76 1.22 0.00 -1.32 0.00 0.00 176.35 174.69 1ukp s ARG 188 N 5.48 0.60 0.16 1.98 1.70 -1.26 -4.63 118.95 122.99 1ukp s ARG 188 Ca 0.46 -0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 55.30 1ukp s ARG 188 Cb -0.03 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 1ukp s ARG 188 CO -0.01 -0.28 0.40 0.71 -1.08 0.00 0.00 175.30 175.04 1ukp s TYR 189 N -2.19 3.47 -1.47 5.89 2.02 0.11 -4.46 117.35 120.72 1ukp s TYR 189 Ca 0.24 0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 57.36 1ukp s TYR 189 Cb 0.00 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1ukp s TYR 189 CO -0.00 0.40 2.56 -0.35 -1.57 0.00 0.00 175.55 176.59 1ukp n PRO 190 N -0.09 3.15 0.16 -1.71 -0.04 -1.26 -4.66 135.00 130.54 1ukp n PRO 190 Ca -0.02 -2.29 0.13 0.00 -0.04 0.00 0.00 63.50 61.27 1ukp n PRO 190 Cb 0.52 -2.98 0.45 0.00 -0.04 0.00 0.00 33.50 31.45 1ukp n PRO 190 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ukp h SER 191 N 5.64 0.00 -2.08 3.54 4.64 -1.81 -3.37 113.55 120.10 1ukp h SER 191 Ca 0.71 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.47 1ukp h SER 191 Cb 0.44 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.12 1ukp h SER 191 CO 1.82 0.00 -0.95 0.00 -0.87 0.00 0.00 176.83 176.82 1ukp n TYR 192 N -2.52 1.20 -2.40 4.77 4.11 -1.26 -1.50 117.16 119.56 1ukp n TYR 192 Ca 0.03 -3.81 -0.42 0.00 -0.00 0.00 0.00 57.90 53.70 1ukp n TYR 192 Cb 0.35 -0.43 -0.03 0.00 -0.00 0.00 0.00 39.34 39.24 1ukp n TYR 192 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1ukp s PRO 193 N -2.00 4.34 0.20 -3.48 0.04 -1.26 -4.90 135.00 127.94 1ukp s PRO 193 Ca 0.39 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 1ukp s PRO 193 Cb 0.21 -3.55 0.15 0.00 0.04 0.00 0.00 34.50 31.35 1ukp s PRO 193 CO -0.08 -0.47 1.55 0.37 0.04 0.00 0.00 177.00 178.41 1ukp h GLN 194 N 7.50 0.62 0.00 4.56 4.15 -1.95 -2.10 115.11 127.90 1ukp h GLN 194 Ca -0.35 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 58.73 1ukp h GLN 194 Cb 1.17 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1ukp h GLN 194 CO 0.88 0.94 -0.01 0.66 -1.93 0.00 0.00 178.83 179.37 1ukp h SER 195 N 0.50 0.00 -0.61 -0.69 4.64 -1.92 -1.53 113.55 113.94 1ukp h SER 195 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ukp h SER 195 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1ukp h SER 195 CO 0.09 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1ukp n GLN 196 N -3.22 3.33 -0.01 4.77 6.02 -1.10 -4.95 117.38 122.21 1ukp n GLN 196 Ca -0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1ukp n GLN 196 Cb 0.14 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1ukp n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ukp n GLY 197 N 1.08 0.18 3.69 1.08 0.00 -0.58 -5.04 105.19 105.60 1ukp n GLY 197 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1ukp n GLY 197 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ukp n TRP 198 N -2.00 2.04 -3.78 1.61 -0.00 -0.81 -4.90 117.44 109.60 1ukp n TRP 198 Ca 0.00 0.51 -0.14 0.00 -0.00 0.00 0.00 57.50 57.88 1ukp n TRP 198 Cb 0.00 -2.36 -0.15 0.00 -0.00 0.00 0.00 31.31 28.80 1ukp n TRP 198 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1ukp s GLU 199 N -2.15 0.03 0.30 5.87 2.02 -1.26 -4.59 118.70 118.92 1ukp s GLU 199 Ca 0.61 0.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.53 1ukp s GLU 199 Cb -0.52 -0.16 -0.12 0.00 0.10 0.00 0.00 34.13 33.43 1ukp s GLU 199 CO 0.58 -0.13 1.43 0.34 0.02 0.00 0.00 175.26 177.50 1ukp n PHE 200 N 3.93 2.45 -2.49 1.61 7.35 -1.26 -0.16 117.46 128.89 1ukp n PHE 200 Ca -0.24 0.42 -0.37 0.00 -0.76 0.00 0.00 57.45 56.51 1ukp n PHE 200 Cb 0.53 -2.49 0.01 0.00 0.35 0.00 0.00 39.48 37.88 1ukp n PHE 200 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ukp n PRO 201 N 1.50 4.16 -1.73 -7.13 -0.04 -1.26 -5.14 135.00 125.35 1ukp n PRO 201 Ca 0.08 -4.39 -0.38 0.00 -0.04 0.00 0.00 63.50 58.77 1ukp n PRO 201 Cb 0.35 -2.35 0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1ukp n PRO 201 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ukp n GLY 202 N -0.26 0.63 0.20 0.55 0.00 0.77 -4.90 105.19 102.18 1ukp n GLY 202 Ca 0.45 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1ukp n GLY 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ukp h ILE 203 N 0.83 0.00 0.00 -0.61 3.07 -1.14 -3.46 117.51 116.20 1ukp h ILE 203 Ca -0.51 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.49 1ukp h ILE 203 Cb 1.33 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1ukp h ILE 203 CO 0.54 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 1ukp n GLY 204 N 0.16 -2.37 3.17 0.16 0.00 -0.41 -3.96 105.19 101.93 1ukp n GLY 204 Ca 0.02 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 1ukp n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukp s GLU 205 N -0.97 0.80 0.39 1.61 2.02 -0.56 -4.16 118.70 117.84 1ukp s GLU 205 Ca 0.00 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 53.76 1ukp s GLU 205 Cb 0.00 -0.75 -0.09 0.00 0.10 0.00 0.00 34.13 33.39 1ukp s GLU 205 CO 0.00 0.16 1.24 -0.06 0.02 0.00 0.00 175.26 176.62 1ukp s PHE 206 N -1.44 2.97 -0.38 1.61 0.08 -1.26 -4.39 117.98 115.17 1ukp s PHE 206 Ca -0.01 1.48 0.06 0.00 0.12 0.00 0.00 56.93 58.58 1ukp s PHE 206 Cb -0.09 -3.55 0.44 0.00 -0.57 0.00 0.00 43.02 39.25 1ukp s PHE 206 CO 0.02 -1.69 1.14 1.04 -0.10 0.00 0.00 175.22 175.62 1ukp n GLN 207 N 0.23 3.47 -1.83 0.44 1.13 -1.26 -4.41 117.38 115.14 1ukp n GLN 207 Ca 0.03 -4.36 -0.27 0.00 -1.94 0.00 0.00 57.00 50.47 1ukp n GLN 207 Cb 0.45 -2.25 0.04 0.00 0.11 0.00 0.00 30.24 28.58 1ukp n GLN 207 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukp n TYR 209 N -0.76 0.36 -1.40 0.00 4.02 -0.70 -4.26 117.16 114.41 1ukp n TYR 209 Ca 0.49 -0.34 -0.32 0.00 -0.01 0.00 0.00 57.90 57.73 1ukp n TYR 209 Cb 0.88 -0.02 0.08 0.00 -0.02 0.00 0.00 39.34 40.27 1ukp n TYR 209 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1ukp s ASP 210 N -1.02 4.56 0.49 7.72 1.47 -1.26 -4.77 116.67 123.85 1ukp s ASP 210 Ca 0.23 1.96 0.19 0.00 1.18 0.00 0.00 52.55 56.11 1ukp s ASP 210 Cb 0.13 -2.54 1.23 0.00 -0.34 0.00 0.00 42.92 41.39 1ukp s ASP 210 CO 0.17 -2.00 2.01 0.07 0.68 0.00 0.00 175.17 176.10 1ukp h LYS 211 N -0.70 0.16 -0.03 2.11 2.10 -1.94 -1.59 116.57 116.69 1ukp h LYS 211 Ca -0.45 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1ukp h LYS 211 Cb 1.25 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1ukp h LYS 211 CO 0.51 0.11 -0.00 1.88 -2.00 0.00 0.00 179.45 179.95 1ukp h TYR 212 N 0.17 0.05 0.00 0.07 0.05 -1.90 -1.51 116.97 113.90 1ukp h TYR 212 Ca 0.22 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 1ukp h TYR 212 Cb 0.66 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1ukp h TYR 212 CO -0.00 0.38 -0.45 -0.07 -1.05 0.00 0.00 178.16 176.97 1ukp h LEU 213 N -0.29 0.00 -0.55 3.88 3.38 -1.81 -1.71 115.31 118.20 1ukp h LEU 213 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1ukp h LEU 213 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ukp h LEU 213 CO 0.00 0.45 -0.21 0.50 0.09 0.00 0.00 178.44 179.27 1ukp h LYS 214 N 0.00 0.94 -0.17 1.13 3.64 -1.23 0.12 116.57 121.00 1ukp h LYS 214 Ca -0.00 -0.39 -0.16 0.00 -1.27 0.00 0.00 60.65 58.82 1ukp h LYS 214 Cb 0.97 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1ukp h LYS 214 CO 0.06 1.06 -0.55 0.00 -2.27 0.00 0.00 179.45 177.75 1ukp h ALA 215 N 0.93 0.72 0.26 5.00 0.00 -1.11 -1.20 119.26 123.86 1ukp h ALA 215 Ca 0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ukp h ALA 215 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ukp h ALA 215 CO 0.06 0.69 -0.12 0.22 0.00 0.00 0.00 179.25 180.10 1ukp h ASP 216 N 0.40 -0.29 -0.83 0.00 1.82 -1.01 -1.38 116.42 115.13 1ukp h ASP 216 Ca 0.01 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1ukp h ASP 216 Cb 1.08 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 41.13 1ukp h ASP 216 CO 0.10 -0.11 0.38 0.15 -1.61 0.00 0.00 179.24 178.15 1ukp h PHE 217 N -0.46 1.21 -0.86 0.28 3.57 -0.74 -1.88 116.94 118.07 1ukp h PHE 217 Ca -0.04 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1ukp h PHE 217 Cb 0.34 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1ukp h PHE 217 CO -0.03 0.89 0.57 -0.22 -2.23 0.00 0.00 178.31 177.29 1ukp h LYS 218 N 1.19 1.14 -0.16 1.11 3.64 -1.05 -0.48 116.57 121.95 1ukp h LYS 218 Ca 0.28 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 1ukp h LYS 218 Cb 0.15 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1ukp h LYS 218 CO -0.03 0.76 -0.67 0.00 -2.27 0.00 0.00 179.45 177.23 1ukp h ALA 219 N 1.46 0.51 -0.31 5.00 0.00 -0.91 -2.84 119.26 122.16 1ukp h ALA 219 Ca 0.32 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ukp h ALA 219 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ukp h ALA 219 CO -0.07 0.71 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1ukp h ALA 220 N 0.79 0.41 -0.18 0.00 0.00 -0.60 -1.93 119.26 117.75 1ukp h ALA 220 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1ukp h ALA 220 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1ukp h ALA 220 CO 0.13 0.11 -0.31 -0.39 0.00 0.00 0.00 179.25 178.79 1ukp h VAL 221 N 0.34 1.28 -0.61 0.00 -1.51 -1.18 -2.00 116.25 112.56 1ukp h VAL 221 Ca 0.09 -1.34 -0.08 0.00 -1.23 0.00 0.00 66.70 64.14 1ukp h VAL 221 Cb 0.36 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1ukp h VAL 221 CO 0.01 0.41 0.08 0.00 -1.23 0.00 0.00 177.57 176.84 1ukp h ALA 222 N 1.35 0.82 -0.07 5.19 0.00 -1.36 0.31 119.26 125.50 1ukp h ALA 222 Ca 0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ukp h ALA 222 Cb 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ukp h ALA 222 CO 0.05 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.60 1ukp h ARG 223 N 0.93 0.13 -0.01 0.00 3.08 -1.08 -0.23 114.38 117.21 1ukp h ARG 223 Ca 0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ukp h ARG 223 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ukp h ARG 223 CO 0.02 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1ukp n ALA 224 N -2.48 2.58 -1.60 0.04 0.00 -0.78 -4.86 120.51 113.42 1ukp n ALA 224 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 224 Cb 0.37 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1ukp n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 225 N 0.73 0.67 2.45 0.00 0.00 -0.10 -4.97 105.19 103.98 1ukp n GLY 225 Ca 0.11 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1ukp n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ukp n HIS 226 N -3.21 1.89 0.25 1.61 8.25 0.10 -4.92 115.22 119.18 1ukp n HIS 226 Ca -0.10 -3.89 0.16 0.00 -0.26 0.00 0.00 57.72 53.63 1ukp n HIS 226 Cb 0.40 -0.45 0.82 0.00 1.12 0.00 0.00 29.99 31.88 1ukp n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ukp h PRO 227 N 3.48 0.00 0.00 -0.41 0.13 -1.85 -2.13 132.00 131.22 1ukp h PRO 227 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ukp h PRO 227 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ukp h PRO 227 CO 0.65 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1ukp n GLU 228 N -2.59 0.22 -2.41 0.86 0.00 -1.26 -4.80 120.64 110.66 1ukp n GLU 228 Ca -0.02 0.20 -0.42 0.00 0.00 0.00 0.00 57.16 56.93 1ukp n GLU 228 Cb 0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 31.44 29.71 1ukp n GLU 228 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ukp s TRP 229 N -3.10 3.44 0.37 -1.84 0.51 -0.80 -5.03 118.94 112.48 1ukp s TRP 229 Ca 0.11 1.33 0.09 0.00 -2.12 0.00 0.00 56.10 55.50 1ukp s TRP 229 Cb 0.13 -3.42 -0.07 0.00 -0.81 0.00 0.00 33.47 29.30 1ukp s TRP 229 CO 0.57 -1.27 -0.05 -1.21 -0.51 0.00 0.00 176.95 174.48 1ukp s GLU 230 N 0.69 1.89 0.91 4.98 0.41 -1.26 -4.96 118.70 121.35 1ukp s GLU 230 Ca 0.57 -1.99 -0.10 0.00 -0.41 0.00 0.00 54.97 53.04 1ukp s GLU 230 Cb -0.30 -1.70 0.15 0.00 -1.78 0.00 0.00 34.13 30.49 1ukp s GLU 230 CO 0.31 0.07 1.15 -0.51 -0.49 0.00 0.00 175.26 175.79 1ukp s LEU 231 N -3.66 2.85 0.35 1.80 1.43 -1.26 -4.90 118.68 115.30 1ukp s LEU 231 Ca 0.34 2.20 -0.26 0.00 -1.03 0.00 0.00 54.13 55.37 1ukp s LEU 231 Cb 0.05 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.58 1ukp s LEU 231 CO 0.17 -3.11 1.05 -2.65 0.23 0.00 0.00 176.35 172.04 1ukp n PRO 232 N -4.22 1.47 0.00 1.29 -0.02 -1.26 -4.93 135.00 127.34 1ukp n PRO 232 Ca 0.12 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1ukp n PRO 232 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ukp n PRO 232 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ukp n ASP 233 N 0.88 0.10 -1.48 2.55 5.75 -1.26 -4.84 116.55 118.26 1ukp n ASP 233 Ca 0.09 -0.52 -0.11 0.00 -0.01 0.00 0.00 54.79 54.24 1ukp n ASP 233 Cb 0.36 0.13 0.10 0.00 -1.03 0.00 0.00 41.12 40.67 1ukp n ASP 233 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ukp n ASP 234 N -0.13 3.50 -0.59 -1.12 5.75 -1.26 -4.72 116.55 117.98 1ukp n ASP 234 Ca 0.00 -3.73 0.13 0.00 -0.01 0.00 0.00 54.79 51.18 1ukp n ASP 234 Cb 0.09 -0.42 0.31 0.00 -1.03 0.00 0.00 41.12 40.07 1ukp n ASP 234 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukp n ALA 235 N -0.84 2.75 -0.16 2.12 0.00 -1.26 -0.46 120.51 122.65 1ukp n ALA 235 Ca 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 235 Cb 0.86 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1ukp n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 236 N 1.29 -0.41 3.39 0.00 0.00 -1.26 -4.89 105.19 103.30 1ukp n GLY 236 Ca 0.15 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1ukp n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukp s LYS 237 N 0.00 1.54 0.16 1.61 1.02 -1.26 -4.98 119.74 117.83 1ukp s LYS 237 Ca 0.00 -1.85 -0.05 0.00 0.02 0.00 0.00 55.97 54.09 1ukp s LYS 237 Cb 0.00 -0.56 0.26 0.00 -0.52 0.00 0.00 37.83 37.01 1ukp s LYS 237 CO 0.00 -0.25 0.92 0.66 -0.92 0.00 0.00 175.35 175.76 1ukp n TYR 238 N -0.58 0.19 -0.27 3.18 4.01 -1.26 -1.07 117.16 121.36 1ukp n TYR 238 Ca -0.01 0.72 0.10 0.00 -0.16 0.00 0.00 57.90 58.54 1ukp n TYR 238 Cb 0.66 -0.83 0.31 0.00 -0.31 0.00 0.00 39.34 39.18 1ukp n TYR 238 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ukp n ASN 239 N -4.95 3.98 -4.74 7.72 5.03 -1.26 -1.28 115.26 119.75 1ukp n ASN 239 Ca 0.09 -2.18 -0.29 0.00 0.87 0.00 0.00 54.58 53.07 1ukp n ASN 239 Cb 0.29 -0.50 0.15 0.00 -1.02 0.00 0.00 39.78 38.70 1ukp n ASN 239 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1ukp s ASP 240 N -0.94 3.18 0.10 6.41 1.01 -0.23 -4.73 116.67 121.48 1ukp s ASP 240 Ca 0.46 1.08 0.06 0.00 0.71 0.00 0.00 52.55 54.86 1ukp s ASP 240 Cb 0.27 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 1ukp s ASP 240 CO 0.27 -2.77 -0.06 0.68 0.21 0.00 0.00 175.17 173.50 1ukp s VAL 241 N -3.14 3.62 0.11 -1.27 -7.23 -1.26 -2.60 120.40 108.63 1ukp s VAL 241 Ca 0.64 -1.18 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 1ukp s VAL 241 Cb -0.16 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 1ukp s VAL 241 CO 0.55 0.10 1.41 1.55 -0.31 0.00 0.00 175.10 178.41 1ukp h PRO 242 N 3.50 -0.17 0.00 4.82 0.13 -1.97 -1.80 132.00 136.52 1ukp h PRO 242 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ukp h PRO 242 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ukp h PRO 242 CO 0.55 -0.11 0.08 0.39 -0.23 0.00 0.00 178.00 178.68 1ukp n GLU 243 N -4.72 0.00 -0.38 0.86 -0.58 -1.26 -0.98 120.64 113.57 1ukp n GLU 243 Ca -0.01 0.36 0.09 0.00 -0.42 0.00 0.00 57.16 57.18 1ukp n GLU 243 Cb 0.23 -1.58 0.28 0.00 -0.57 0.00 0.00 31.44 29.80 1ukp n GLU 243 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ukp n SER 244 N -1.35 3.52 -4.33 1.62 3.41 -0.68 -4.77 113.62 111.05 1ukp n SER 244 Ca 0.00 -2.12 -0.21 0.00 -0.26 0.00 0.00 58.87 56.28 1ukp n SER 244 Cb 0.08 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 1ukp n SER 244 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ukp s THR 245 N -1.39 1.78 0.09 6.66 -4.23 -0.16 -4.95 115.64 113.45 1ukp s THR 245 Ca 0.41 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1ukp s THR 245 Cb 0.23 -1.87 -0.08 0.00 1.34 0.00 0.00 72.50 72.12 1ukp s THR 245 CO 0.25 -0.38 1.42 1.23 -0.54 0.00 0.00 174.62 176.61 1ukp h GLY 246 N 3.12 0.00 0.55 3.99 0.00 -1.73 -2.80 103.07 106.21 1ukp h GLY 246 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1ukp h GLY 246 CO 0.53 0.00 -0.29 -2.75 0.00 0.00 0.00 176.54 174.03 1ukp h PHE 247 N 0.00 0.33 -0.01 5.60 3.57 -1.11 -0.68 116.94 124.64 1ukp h PHE 247 Ca -0.01 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1ukp h PHE 247 Cb 1.48 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1ukp h PHE 247 CO 0.00 0.94 -0.49 1.19 -2.23 0.00 0.00 178.31 177.71 1ukp n PHE 248 N -4.47 0.00 -1.42 0.41 3.72 -1.26 -0.83 117.46 113.61 1ukp n PHE 248 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.01 1ukp n PHE 248 Cb 0.51 -0.04 0.18 0.00 -0.94 0.00 0.00 39.48 39.19 1ukp n PHE 248 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1ukp s LYS 249 N -2.57 0.28 0.16 -1.08 -2.85 -1.05 -4.55 119.74 108.08 1ukp s LYS 249 Ca 0.18 0.10 -0.34 0.00 -1.00 0.00 0.00 55.97 54.91 1ukp s LYS 249 Cb 0.18 -1.76 -0.15 0.00 -2.06 0.00 0.00 37.83 34.05 1ukp s LYS 249 CO 0.60 -2.74 1.41 0.45 0.10 0.00 0.00 175.35 175.17 1ukp n SER 250 N -4.11 2.34 -2.31 0.03 2.88 -1.26 -0.02 113.62 111.18 1ukp n SER 250 Ca 0.10 1.12 -0.13 0.00 -1.33 0.00 0.00 58.87 58.62 1ukp n SER 250 Cb 0.59 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 1ukp n SER 250 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukp n ASN 251 N 2.66 -4.06 -2.74 -3.46 3.02 -1.26 -4.94 115.26 104.47 1ukp n ASN 251 Ca 0.16 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.79 1ukp n ASN 251 Cb 0.26 -3.48 0.08 0.00 -0.61 0.00 0.00 39.78 36.03 1ukp n ASN 251 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ukp n GLY 252 N -0.76 -1.77 0.34 7.41 0.00 0.97 -4.90 105.19 106.49 1ukp n GLY 252 Ca -0.16 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.41 1ukp n GLY 252 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ukp h THR 253 N -1.53 0.85 0.00 2.61 2.02 -0.95 -2.53 112.91 113.38 1ukp h THR 253 Ca -0.15 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1ukp h THR 253 Cb 0.42 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1ukp h THR 253 CO 0.10 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1ukp n TYR 254 N -4.45 0.31 0.78 3.16 4.11 -0.01 -1.49 117.16 119.58 1ukp n TYR 254 Ca 0.07 0.16 0.09 0.00 -0.00 0.00 0.00 57.90 58.21 1ukp n TYR 254 Cb 0.40 -0.75 0.07 0.00 -0.00 0.00 0.00 39.34 39.06 1ukp n TYR 254 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1ukp n VAL 255 N -1.82 0.00 -1.99 -3.48 0.24 -0.95 -4.03 118.33 106.30 1ukp n VAL 255 Ca -0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.53 1ukp n VAL 255 Cb 0.04 1.37 0.06 0.00 -1.47 0.00 0.00 33.84 33.84 1ukp n VAL 255 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ukp s THR 256 N -1.61 2.95 0.22 3.34 -4.23 -0.56 -4.83 115.64 110.92 1ukp s THR 256 Ca 0.21 0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 1ukp s THR 256 Cb 0.15 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 70.88 1ukp s THR 256 CO 0.26 -0.36 1.88 -0.08 -0.54 0.00 0.00 174.62 175.78 1ukp h GLU 257 N -0.70 0.99 -0.27 3.99 4.81 -1.94 0.94 114.58 122.40 1ukp h GLU 257 Ca -0.45 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1ukp h GLU 257 Cb 1.28 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1ukp h GLU 257 CO 0.64 0.65 0.06 -0.22 -0.73 0.00 0.00 179.01 179.41 1ukp h LYS 258 N 1.02 0.43 -0.50 1.92 3.64 -1.93 -2.18 116.57 118.96 1ukp h LYS 258 Ca 0.30 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1ukp h LYS 258 Cb -0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1ukp h LYS 258 CO -0.08 0.53 0.27 0.78 -2.27 0.00 0.00 179.45 178.67 1ukp h GLY 259 N 0.26 0.76 2.00 5.01 0.00 -1.46 -2.34 103.07 107.30 1ukp h GLY 259 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1ukp h GLY 259 CO 0.00 0.34 -0.35 0.50 0.00 0.00 0.00 176.54 177.02 1ukp h LYS 260 N 0.67 0.00 -0.20 4.80 1.57 -0.79 -2.26 116.57 120.36 1ukp h LYS 260 Ca 0.18 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1ukp h LYS 260 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ukp h LYS 260 CO -0.03 0.35 -0.44 0.35 -0.57 0.00 0.00 179.45 179.12 1ukp h PHE 261 N 0.00 0.82 -0.17 -1.35 3.57 -1.17 -2.36 116.94 116.29 1ukp h PHE 261 Ca -0.00 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 1ukp h PHE 261 Cb 0.66 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ukp h PHE 261 CO 0.00 1.08 0.08 0.35 -2.23 0.00 0.00 178.31 177.59 1ukp h PHE 262 N 0.33 0.24 -0.56 0.41 3.57 -1.24 -0.15 116.94 119.55 1ukp h PHE 262 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ukp h PHE 262 Cb 1.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1ukp h PHE 262 CO 0.09 0.27 0.31 -0.07 -2.23 0.00 0.00 178.31 176.68 1ukp h LEU 263 N 0.14 0.67 -0.25 0.59 3.38 -1.46 0.55 115.31 118.93 1ukp h LEU 263 Ca 0.06 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1ukp h LEU 263 Cb 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ukp h LEU 263 CO -0.01 0.53 -0.39 0.74 0.09 0.00 0.00 178.44 179.40 1ukp h THR 264 N 0.77 1.31 -0.29 0.22 2.02 -1.19 -1.65 112.91 114.10 1ukp h THR 264 Ca 0.20 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 1ukp h THR 264 Cb 0.00 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1ukp h THR 264 CO -0.03 0.51 0.06 -0.25 0.37 0.00 0.00 175.52 176.17 1ukp h TRP 265 N 0.43 0.49 -0.11 3.16 7.01 -0.24 -1.87 115.95 124.82 1ukp h TRP 265 Ca 0.02 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1ukp h TRP 265 Cb 0.99 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1ukp h TRP 265 CO 0.08 0.54 0.07 -0.92 -2.79 0.00 0.00 178.44 175.42 1ukp h TYR 266 N 0.30 0.13 0.00 2.65 3.20 0.10 -2.80 116.97 120.55 1ukp h TYR 266 Ca 0.09 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1ukp h TYR 266 Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1ukp h TYR 266 CO 0.02 0.08 -0.59 0.66 -1.64 0.00 0.00 178.16 176.69 1ukp h SER 267 N 0.14 0.00 0.03 -2.11 4.64 -1.32 -3.15 113.55 111.77 1ukp h SER 267 Ca 0.04 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1ukp h SER 267 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1ukp h SER 267 CO -0.02 0.59 -0.26 0.78 -0.87 0.00 0.00 176.83 177.05 1ukp h ASN 268 N 0.00 0.37 -0.71 4.97 -0.26 -1.20 -2.77 115.58 115.98 1ukp h ASN 268 Ca -0.01 -0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.68 1ukp h ASN 268 Cb 1.14 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.26 1ukp h ASN 268 CO 0.08 0.63 0.47 0.11 -1.06 0.00 0.00 177.43 177.65 1ukp h LYS 269 N 0.33 0.69 -0.22 0.81 1.79 -1.45 -1.56 116.57 116.95 1ukp h LYS 269 Ca 0.05 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.29 1ukp h LYS 269 Cb 0.63 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ukp h LYS 269 CO 0.05 0.46 -0.60 -0.07 -1.08 0.00 0.00 179.45 178.20 1ukp h LEU 270 N 0.71 0.92 -0.46 2.94 3.38 -1.63 -1.20 115.31 119.97 1ukp h LEU 270 Ca 0.31 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1ukp h LEU 270 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ukp h LEU 270 CO -0.10 1.33 0.27 -0.07 0.09 0.00 0.00 178.44 179.96 1ukp h LEU 271 N 0.56 0.43 -0.64 1.67 3.38 -1.21 -1.18 115.31 118.32 1ukp h LEU 271 Ca -0.01 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ukp h LEU 271 Cb 1.22 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1ukp h LEU 271 CO 0.13 0.31 -0.60 0.78 0.09 0.00 0.00 178.44 179.15 1ukp h ASN 272 N 0.54 0.00 -0.06 -0.43 2.35 -1.32 -1.59 115.58 115.07 1ukp h ASN 272 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1ukp h ASN 272 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ukp h ASN 272 CO -0.09 0.60 0.02 -0.74 -1.65 0.00 0.00 177.43 175.58 1ukp h HIS 273 N 0.00 0.09 -0.40 1.19 2.76 -0.79 -0.86 115.15 117.15 1ukp h HIS 273 Ca -0.01 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1ukp h HIS 273 Cb 1.16 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1ukp h HIS 273 CO 0.00 0.22 -0.01 0.78 -1.30 0.00 0.00 177.93 177.62 1ukp h GLY 274 N -0.06 0.76 0.98 5.26 0.00 -1.16 -2.31 103.07 106.53 1ukp h GLY 274 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1ukp h GLY 274 CO -0.00 0.52 0.18 -1.80 0.00 0.00 0.00 176.54 175.44 1ukp h ASP 275 N 0.53 0.31 -0.49 0.19 3.58 -1.21 0.31 116.42 119.64 1ukp h ASP 275 Ca 0.11 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 1ukp h ASP 275 Cb 0.49 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1ukp h ASP 275 CO 0.02 0.22 -0.13 1.56 -2.88 0.00 0.00 179.24 178.04 1ukp h GLN 276 N 0.37 0.98 -0.05 0.28 4.20 -1.14 -2.03 115.11 117.72 1ukp h GLN 276 Ca 0.11 -0.37 -0.19 0.00 0.06 0.00 0.00 58.65 58.26 1ukp h GLN 276 Cb -0.03 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ukp h GLN 276 CO -0.03 1.04 -0.78 0.82 -0.67 0.00 0.00 178.83 179.20 1ukp h ILE 277 N 0.87 1.39 -0.15 2.54 2.04 -1.29 -2.91 117.51 120.00 1ukp h ILE 277 Ca 0.13 -2.24 -0.07 0.00 1.00 0.00 0.00 64.86 63.69 1ukp h ILE 277 Cb 0.68 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1ukp h ILE 277 CO 0.05 0.67 -0.20 -0.07 0.00 0.00 0.00 178.15 178.60 1ukp h LEU 278 N 0.25 0.25 -0.44 1.44 3.38 -0.83 -1.90 115.31 117.45 1ukp h LEU 278 Ca -0.04 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ukp h LEU 278 Cb 1.37 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1ukp h LEU 278 CO 0.13 0.47 0.18 0.44 0.09 0.00 0.00 178.44 179.76 1ukp h ASP 279 N 0.24 0.23 -0.07 -0.43 3.32 -1.17 0.48 116.42 119.02 1ukp h ASP 279 Ca 0.04 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1ukp h ASP 279 Cb 0.49 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ukp h ASP 279 CO 0.03 0.17 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.22 1ukp h GLU 280 N 0.37 0.44 -0.19 3.56 4.39 -1.33 -2.50 114.58 119.33 1ukp h GLU 280 Ca 0.20 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1ukp h GLU 280 Cb 0.16 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1ukp h GLU 280 CO -0.18 0.60 -0.41 0.00 -1.16 0.00 0.00 179.01 177.86 1ukp h ALA 281 N 1.42 0.94 -0.54 3.43 0.00 -0.53 0.05 119.26 124.03 1ukp h ALA 281 Ca 0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1ukp h ALA 281 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ukp h ALA 281 CO 0.03 0.63 -0.09 -0.91 0.00 0.00 0.00 179.25 178.91 1ukp h ASN 282 N 0.37 1.00 -0.28 0.00 2.35 -0.67 -1.90 115.58 116.44 1ukp h ASN 282 Ca 0.03 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 1ukp h ASN 282 Cb 0.87 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1ukp h ASN 282 CO 0.07 1.10 -0.16 0.11 -1.65 0.00 0.00 177.43 176.91 1ukp h LYS 283 N 0.90 0.61 -0.48 0.81 1.57 -1.18 -1.48 116.57 117.32 1ukp h LYS 283 Ca 0.14 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ukp h LYS 283 Cb 0.64 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1ukp h LYS 283 CO 0.04 0.85 0.29 0.00 -0.57 0.00 0.00 179.45 180.07 1ukp h ALA 284 N 0.74 0.61 -0.61 3.86 0.00 -0.89 -3.18 119.26 119.80 1ukp h ALA 284 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ukp h ALA 284 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ukp h ALA 284 CO 0.05 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.57 1ukp n PHE 285 N -4.72 1.51 -1.58 0.00 3.72 -0.72 -4.87 117.46 110.79 1ukp n PHE 285 Ca 0.02 -0.64 -0.53 0.00 -0.05 0.00 0.00 57.45 56.25 1ukp n PHE 285 Cb 0.05 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 1ukp n PHE 285 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ukp n LEU 286 N 0.93 1.49 0.00 4.37 7.94 -0.56 -1.20 117.00 129.97 1ukp n LEU 286 Ca 0.25 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1ukp n LEU 286 Cb 0.92 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1ukp n LEU 286 CO 0.24 -1.12 0.00 0.61 -1.11 0.00 0.00 177.39 176.01 1ukp n GLY 287 N 2.45 2.95 3.79 -3.96 0.00 -0.16 -4.90 105.19 105.36 1ukp n GLY 287 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ukp n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukp n LYS 289 N -0.46 3.22 -3.88 0.00 5.02 -1.26 0.11 118.16 120.90 1ukp n LYS 289 Ca 0.07 -3.23 -0.09 0.00 -2.02 0.00 0.00 58.31 53.03 1ukp n LYS 289 Cb 0.51 -3.22 -0.07 0.00 -0.02 0.00 0.00 35.03 32.23 1ukp n LYS 289 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ukp s VAL 290 N 2.57 0.12 0.07 -0.18 -7.23 -1.26 -4.69 120.40 109.80 1ukp s VAL 290 Ca 0.47 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1ukp s VAL 290 Cb 0.07 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1ukp s VAL 290 CO -0.00 -0.55 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.65 1ukp s LYS 291 N -3.89 2.43 0.33 4.82 -0.14 -0.36 -4.45 119.74 118.48 1ukp s LYS 291 Ca 0.08 -0.85 -0.01 0.00 -1.36 0.00 0.00 55.97 53.83 1ukp s LYS 291 Cb 0.04 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1ukp s LYS 291 CO -0.08 0.55 0.55 -0.51 -0.76 0.00 0.00 175.35 175.10 1ukp s LEU 292 N -2.00 4.02 0.17 3.17 1.43 -1.26 -0.34 118.68 123.87 1ukp s LEU 292 Ca 0.22 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1ukp s LEU 292 Cb -0.11 -3.39 0.06 0.00 0.03 0.00 0.00 46.19 42.78 1ukp s LEU 292 CO 0.14 -0.26 0.65 0.00 0.23 0.00 0.00 176.35 177.10 1ukp s ALA 293 N -2.24 -1.55 0.19 4.21 0.00 -0.49 -0.66 121.76 121.22 1ukp s ALA 293 Ca 0.41 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1ukp s ALA 293 Cb -0.10 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1ukp s ALA 293 CO 0.34 -0.82 0.07 0.96 0.00 0.00 0.00 175.76 176.31 1ukp s ILE 294 N -3.72 0.36 -0.14 0.00 -4.36 -0.98 -0.41 121.20 111.94 1ukp s ILE 294 Ca 0.03 -1.97 -0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1ukp s ILE 294 Cb -0.02 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 1ukp s ILE 294 CO -0.09 -0.25 -0.14 -0.75 0.24 0.00 0.00 174.94 173.96 1ukp s LYS 295 N -4.03 3.33 -0.15 0.37 2.47 -1.26 -1.64 119.74 118.83 1ukp s LYS 295 Ca 0.31 -0.71 -0.03 0.00 -1.56 0.00 0.00 55.97 53.98 1ukp s LYS 295 Cb 0.07 -2.64 -0.03 0.00 -1.46 0.00 0.00 37.83 33.78 1ukp s LYS 295 CO 0.08 0.14 -0.04 0.08 0.16 0.00 0.00 175.35 175.76 1ukp s VAL 296 N 0.54 3.90 0.55 4.02 1.01 -0.39 -1.32 120.40 128.71 1ukp s VAL 296 Ca -0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 1ukp s VAL 296 Cb -0.16 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1ukp s VAL 296 CO 0.04 0.50 1.07 -0.55 0.00 0.00 0.00 175.10 176.16 1ukp s SER 297 N 0.25 5.91 -0.53 3.32 0.15 -1.26 -4.38 113.70 117.16 1ukp s SER 297 Ca -0.03 1.94 -0.09 0.00 0.70 0.00 0.00 55.95 58.48 1ukp s SER 297 Cb -0.14 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.75 1ukp s SER 297 CO 0.03 -1.08 0.40 -0.83 1.20 0.00 0.00 173.24 172.97 1ukp s GLY 298 N -2.29 2.18 -0.80 9.45 0.00 -1.26 -4.95 107.32 109.65 1ukp s GLY 298 Ca 0.67 -2.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.51 1ukp s GLY 298 CO 0.29 1.12 0.76 -0.42 0.00 0.00 0.00 173.10 174.86 1ukp s ILE 299 N 1.02 5.51 -0.72 0.90 -1.09 -1.26 -4.87 121.20 120.69 1ukp s ILE 299 Ca 0.09 -2.29 0.24 0.00 -2.23 0.00 0.00 60.65 56.45 1ukp s ILE 299 Cb -0.24 -4.47 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 1ukp s ILE 299 CO -0.02 -1.04 1.18 0.00 -1.23 0.00 0.00 174.94 173.83 1ukp n HIS 300 N 4.29 0.28 -2.79 3.97 1.44 -1.26 -4.70 115.22 116.45 1ukp n HIS 300 Ca 0.11 0.08 -0.41 0.00 -2.01 0.00 0.00 57.72 55.49 1ukp n HIS 300 Cb 0.46 -0.44 -0.04 0.00 0.12 0.00 0.00 29.99 30.09 1ukp n HIS 300 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1ukp s TRP 301 N -3.14 3.74 0.00 -1.40 -2.14 -1.26 -1.77 118.94 112.97 1ukp s TRP 301 Ca 0.06 1.68 0.00 0.00 2.66 0.00 0.00 56.10 60.50 1ukp s TRP 301 Cb 0.15 -3.01 0.00 0.00 -3.10 0.00 0.00 33.47 27.51 1ukp s TRP 301 CO 0.76 0.15 0.00 0.91 -2.66 0.00 0.00 176.95 176.11 1ukp n TRP 302 N 3.16 0.00 0.25 1.66 7.02 -0.39 -4.27 117.44 124.87 1ukp n TRP 302 Ca 0.02 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.58 1ukp n TRP 302 Cb 0.50 0.00 0.63 0.00 -2.42 0.00 0.00 31.31 30.01 1ukp n TRP 302 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 1ukp h TYR 303 N 0.00 0.00 0.00 -5.99 3.20 -1.44 -2.56 116.97 110.18 1ukp h TYR 303 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ukp h TYR 303 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1ukp h TYR 303 CO 0.00 0.09 0.00 1.63 -1.64 0.00 0.00 178.16 178.24 1ukp n LYS 304 N -4.27 0.07 -4.27 1.82 4.76 -0.71 -4.83 118.16 110.72 1ukp n LYS 304 Ca -0.03 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.24 1ukp n LYS 304 Cb 0.17 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 1ukp n LYS 304 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ukp s VAL 305 N -2.91 3.38 0.38 -0.18 -7.23 -0.96 -5.03 120.40 107.84 1ukp s VAL 305 Ca 0.14 -1.63 0.19 0.00 -1.81 0.00 0.00 61.98 58.86 1ukp s VAL 305 Cb 0.15 -2.70 0.38 0.00 0.56 0.00 0.00 36.38 34.77 1ukp s VAL 305 CO 0.42 -0.15 1.69 -0.33 -0.31 0.00 0.00 175.10 176.41 1ukp h GLU 306 N 2.69 0.30 0.00 4.82 5.08 -1.88 -2.36 114.58 123.23 1ukp h GLU 306 Ca -0.46 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1ukp h GLU 306 Cb 1.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ukp h GLU 306 CO 0.56 0.20 -0.11 -2.95 -1.00 0.00 0.00 179.01 175.71 1ukp h ASN 307 N 0.31 0.00 -7.05 1.42 -1.07 -1.86 -3.41 115.58 103.92 1ukp h ASN 307 Ca 0.71 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 56.47 1ukp h ASN 307 Cb 1.80 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.81 1ukp h ASN 307 CO -0.47 0.11 -0.94 1.41 0.07 0.00 0.00 177.43 177.61 1ukp n HIS 308 N -3.14 -1.29 -0.19 4.14 8.25 -0.89 -4.78 115.22 117.33 1ukp n HIS 308 Ca 0.03 0.65 -0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1ukp n HIS 308 Cb 0.54 -2.65 0.09 0.00 1.12 0.00 0.00 29.99 29.09 1ukp n HIS 308 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp h ALA 309 N 0.82 0.67 -0.98 -1.41 0.00 -1.87 -2.12 119.26 114.37 1ukp h ALA 309 Ca -0.64 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ukp h ALA 309 Cb 1.39 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1ukp h ALA 309 CO 0.75 -0.29 0.63 0.00 0.00 0.00 0.00 179.25 180.35 1ukp h ALA 310 N 1.44 1.24 -0.48 0.00 0.00 -1.74 -2.07 119.26 117.65 1ukp h ALA 310 Ca 0.29 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1ukp h ALA 310 Cb 0.41 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ukp h ALA 310 CO -0.36 0.66 -0.21 0.93 0.00 0.00 0.00 179.25 180.27 1ukp h GLU 311 N 1.34 0.99 -0.71 0.00 5.08 -1.74 -2.69 114.58 116.86 1ukp h GLU 311 Ca 0.36 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ukp h GLU 311 Cb -0.12 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1ukp h GLU 311 CO -0.07 1.10 0.25 -0.07 -1.00 0.00 0.00 179.01 179.22 1ukp h LEU 312 N 0.84 1.01 -0.87 1.33 4.07 -0.97 -0.25 115.31 120.47 1ukp h LEU 312 Ca 0.11 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1ukp h LEU 312 Cb 0.79 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1ukp h LEU 312 CO 0.07 0.93 -0.17 0.71 -1.08 0.00 0.00 178.44 178.90 1ukp h THR 313 N 1.03 0.36 0.00 0.22 1.35 -1.39 -2.73 112.91 111.75 1ukp h THR 313 Ca 0.23 -1.09 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1ukp h THR 313 Cb 0.26 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1ukp h THR 313 CO -0.01 0.16 -0.25 0.00 -0.25 0.00 0.00 175.52 175.17 1ukp h ALA 314 N 1.83 0.87 0.00 6.62 0.00 -1.07 -3.42 119.26 124.09 1ukp h ALA 314 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ukp h ALA 314 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ukp h ALA 314 CO 0.02 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1ukp n GLY 315 N 0.89 1.02 3.35 0.00 0.00 -0.76 -0.71 105.19 108.99 1ukp n GLY 315 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ukp n GLY 315 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ukp s TYR 316 N -2.00 3.27 -1.30 1.61 2.02 -0.18 -4.33 117.35 116.45 1ukp s TYR 316 Ca 0.00 -1.10 -0.16 0.00 -0.37 0.00 0.00 57.07 55.43 1ukp s TYR 316 Cb 0.00 -3.06 0.01 0.00 -0.40 0.00 0.00 41.96 38.51 1ukp s TYR 316 CO 0.00 -0.80 2.08 0.98 -1.57 0.00 0.00 175.55 176.24 1ukp n TYR 317 N 5.11 3.42 -3.97 2.71 -0.00 -1.26 -3.38 117.16 119.79 1ukp n TYR 317 Ca -0.12 -2.69 -0.35 0.00 -0.00 0.00 0.00 57.90 54.75 1ukp n TYR 317 Cb 0.44 -2.43 -0.13 0.00 -0.00 0.00 0.00 39.34 37.21 1ukp n TYR 317 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1ukp s ASN 318 N 3.84 4.62 0.31 2.98 2.47 -1.26 -3.51 114.94 124.39 1ukp s ASN 318 Ca 0.51 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.53 1ukp s ASN 318 Cb 0.12 -1.80 -0.04 0.00 -1.45 0.00 0.00 41.25 38.08 1ukp s ASN 318 CO -0.01 0.01 0.13 -0.76 -3.72 0.00 0.00 177.10 172.75 1ukp s LEU 319 N 1.30 1.77 0.56 3.21 1.43 -0.61 -4.66 118.68 121.68 1ukp s LEU 319 Ca 0.04 -1.51 0.26 0.00 -1.03 0.00 0.00 54.13 51.88 1ukp s LEU 319 Cb -0.15 0.04 1.50 0.00 0.03 0.00 0.00 46.19 47.62 1ukp s LEU 319 CO 0.00 -0.82 2.06 0.78 0.23 0.00 0.00 176.35 178.60 1ukp h ASN 320 N 2.18 0.00 0.00 2.29 4.21 -1.92 -2.58 115.58 119.76 1ukp h ASN 320 Ca -0.36 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.15 1ukp h ASN 320 Cb 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.44 1ukp h ASN 320 CO 0.57 0.00 -0.21 -0.90 -1.29 0.00 0.00 177.43 175.59 1ukp n ASP 321 N -4.11 1.91 -3.51 5.81 5.75 -1.26 -4.96 116.55 116.19 1ukp n ASP 321 Ca 0.04 -3.15 -0.15 0.00 -0.01 0.00 0.00 54.79 51.52 1ukp n ASP 321 Cb 0.40 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.95 1ukp n ASP 321 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1ukp s ARG 322 N -2.58 0.21 -0.56 0.11 3.52 -0.97 -4.54 118.95 114.14 1ukp s ARG 322 Ca 0.31 0.43 -0.28 0.00 -0.13 0.00 0.00 55.73 56.06 1ukp s ARG 322 Cb 0.28 -0.72 0.02 0.00 -1.56 0.00 0.00 34.95 32.97 1ukp s ARG 322 CO -0.01 -0.55 1.37 0.34 -0.81 0.00 0.00 175.30 175.65 1ukp s ASP 323 N 2.40 6.20 0.00 -2.12 -1.08 0.14 -1.57 116.67 120.65 1ukp s ASP 323 Ca 0.07 0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.63 1ukp s ASP 323 Cb -0.15 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.12 1ukp s ASP 323 CO -0.12 -1.66 1.90 0.61 0.52 0.00 0.00 175.17 176.43 1ukp n GLY 324 N 5.22 -0.46 0.06 2.66 0.00 -1.23 -4.19 105.19 107.25 1ukp n GLY 324 Ca 0.12 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1ukp n GLY 324 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ukp n TYR 325 N -0.36 0.00 -0.05 1.61 4.01 -1.26 -4.49 117.16 116.61 1ukp n TYR 325 Ca 0.20 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.13 1ukp n TYR 325 Cb 0.23 -0.49 0.64 0.00 -0.31 0.00 0.00 39.34 39.40 1ukp n TYR 325 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ukp h ARG 326 N 0.00 0.12 -0.03 -0.72 2.43 -1.80 0.14 114.38 114.52 1ukp h ARG 326 Ca -0.29 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.82 1ukp h ARG 326 Cb 1.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1ukp h ARG 326 CO -0.04 0.08 -0.24 -1.35 -1.51 0.00 0.00 179.97 176.90 1ukp h PRO 327 N 0.12 0.05 -0.31 0.20 0.11 -1.77 -0.80 132.00 129.59 1ukp h PRO 327 Ca 0.29 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 1ukp h PRO 327 Cb 0.98 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ukp h PRO 327 CO -0.04 0.29 -0.37 0.82 -0.21 0.00 0.00 178.00 178.50 1ukp h ILE 328 N 0.05 1.29 -0.37 4.15 2.04 -0.98 -1.98 117.51 121.69 1ukp h ILE 328 Ca 0.01 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 1ukp h ILE 328 Cb 0.45 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1ukp h ILE 328 CO 0.03 0.50 -0.02 0.00 0.00 0.00 0.00 178.15 178.66 1ukp h ALA 329 N 0.99 0.51 -0.76 1.87 0.00 -1.13 -2.11 119.26 118.63 1ukp h ALA 329 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ukp h ALA 329 Cb 0.90 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ukp h ALA 329 CO 0.08 0.30 0.43 -0.09 0.00 0.00 0.00 179.25 179.97 1ukp h ARG 330 N 0.49 1.03 -0.69 0.00 2.43 -1.06 -1.62 114.38 114.97 1ukp h ARG 330 Ca 0.10 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1ukp h ARG 330 Cb 0.50 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1ukp h ARG 330 CO 0.02 0.74 0.29 1.98 -1.51 0.00 0.00 179.97 181.49 1ukp h MET 331 N 1.05 1.02 0.00 0.20 4.05 -1.14 -2.60 114.93 117.51 1ukp h MET 331 Ca 0.27 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1ukp h MET 331 Cb -0.01 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1ukp h MET 331 CO -0.05 0.84 -0.30 -0.07 0.23 0.00 0.00 176.91 177.57 1ukp h LEU 332 N 0.98 0.00 -1.86 3.39 3.38 -0.65 -3.17 115.31 117.38 1ukp h LEU 332 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ukp h LEU 332 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ukp h LEU 332 CO -0.02 0.30 0.06 0.77 0.09 0.00 0.00 178.44 179.64 1ukp h SER 333 N 0.00 0.13 1.05 -0.43 4.64 -0.91 -0.94 113.55 117.09 1ukp h SER 333 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ukp h SER 333 Cb 0.59 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ukp h SER 333 CO 0.04 0.11 0.00 0.08 -0.87 0.00 0.00 176.83 176.19 1ukp h ARG 334 N 0.15 0.00 -0.12 4.77 0.11 -1.67 -2.66 114.38 114.96 1ukp h ARG 334 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1ukp h ARG 334 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1ukp h ARG 334 CO -0.01 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.78 1ukp n HIS 335 N -2.64 0.13 -2.30 4.08 8.25 -0.41 0.24 115.22 122.57 1ukp n HIS 335 Ca 0.02 -0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1ukp n HIS 335 Cb 0.31 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 1ukp n HIS 335 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ukp n HIS 336 N 1.14 -0.98 -2.89 4.41 8.25 -0.87 -4.81 115.22 119.47 1ukp n HIS 336 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 1ukp n HIS 336 Cb 0.51 -3.60 -0.01 0.00 1.12 0.00 0.00 29.99 28.00 1ukp n HIS 336 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp s ALA 337 N -2.88 3.46 0.06 -1.41 0.00 -1.00 -4.56 121.76 115.43 1ukp s ALA 337 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1ukp s ALA 337 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 1ukp s ALA 337 CO 0.00 -0.14 0.48 0.42 0.00 0.00 0.00 175.76 176.52 1ukp s ILE 338 N -2.50 4.92 -0.39 0.00 1.01 0.16 -4.33 121.20 120.07 1ukp s ILE 338 Ca 0.47 0.90 -0.14 0.00 0.00 0.00 0.00 60.65 61.88 1ukp s ILE 338 Cb -0.10 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1ukp s ILE 338 CO 0.38 0.48 0.27 -0.22 0.00 0.00 0.00 174.94 175.85 1ukp s LEU 339 N -1.35 4.89 -0.32 2.97 0.20 -0.65 -2.32 118.68 122.11 1ukp s LEU 339 Ca 0.29 -0.78 -0.15 0.00 0.69 0.00 0.00 54.13 54.18 1ukp s LEU 339 Cb -0.17 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.44 1ukp s LEU 339 CO 0.17 -0.38 0.37 0.21 -0.29 0.00 0.00 176.35 176.42 1ukp s ASN 340 N 1.67 6.20 0.00 3.68 3.04 -0.65 -0.32 114.94 128.56 1ukp s ASN 340 Ca 0.05 -0.08 0.00 0.00 0.04 0.00 0.00 52.86 52.87 1ukp s ASN 340 Cb -0.19 -2.20 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 1ukp s ASN 340 CO 0.10 -0.29 0.00 0.33 -3.04 0.00 0.00 177.10 174.19 1ukp n PHE 341 N 5.38 -0.31 -2.66 0.43 7.35 0.49 -1.26 117.46 126.88 1ukp n PHE 341 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1ukp n PHE 341 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1ukp n PHE 341 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ukp n THR 342 N -0.10 0.00 -1.81 -2.13 5.66 -1.26 -1.12 114.28 113.52 1ukp n THR 342 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1ukp n THR 342 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ukp n THR 342 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ukp h LEU 344 N 0.00 0.00 -0.82 0.00 4.07 -1.80 -2.80 115.31 113.96 1ukp h LEU 344 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1ukp h LEU 344 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1ukp h LEU 344 CO 0.55 0.00 -0.54 -1.84 -1.08 0.00 0.00 178.44 175.54 1ukp n GLU 345 N -3.01 1.13 -2.97 1.13 0.00 -1.26 -2.84 120.64 112.82 1ukp n GLU 345 Ca -0.01 -0.81 -0.38 0.00 0.00 0.00 0.00 57.16 55.96 1ukp n GLU 345 Cb 0.20 -1.45 -0.06 0.00 0.00 0.00 0.00 31.44 30.13 1ukp n GLU 345 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1ukp s MET 346 N -2.47 4.48 0.01 3.44 -1.94 -1.06 -4.71 119.30 117.06 1ukp s MET 346 Ca 0.16 1.11 0.08 0.00 -1.71 0.00 0.00 55.69 55.33 1ukp s MET 346 Cb 0.17 -3.05 -0.02 0.00 2.01 0.00 0.00 34.83 33.93 1ukp s MET 346 CO 0.59 0.46 -0.24 1.03 -0.01 0.00 0.00 175.02 176.85 1ukp s ARG 347 N -1.58 1.76 0.45 2.03 0.52 -1.26 -4.36 118.95 116.51 1ukp s ARG 347 Ca 0.41 -0.94 0.17 0.00 -0.52 0.00 0.00 55.73 54.84 1ukp s ARG 347 Cb -0.20 -1.81 1.11 0.00 0.52 0.00 0.00 34.95 34.57 1ukp s ARG 347 CO 0.24 0.48 1.97 -0.44 0.02 0.00 0.00 175.30 177.58 1ukp h ASP 348 N 5.18 0.29 0.46 0.23 5.19 -1.96 -1.07 116.42 124.74 1ukp h ASP 348 Ca -0.43 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1ukp h ASP 348 Cb 1.14 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1ukp h ASP 348 CO 0.45 0.17 -0.02 0.77 -3.12 0.00 0.00 179.24 177.49 1ukp h SER 349 N 0.32 0.00 0.17 6.45 4.64 -1.95 -2.48 113.55 120.70 1ukp h SER 349 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ukp h SER 349 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1ukp h SER 349 CO -0.07 0.02 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.22 1ukp n GLU 350 N -3.18 1.03 -4.10 4.77 1.02 -0.40 -4.85 120.64 114.91 1ukp n GLU 350 Ca -0.01 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 56.41 1ukp n GLU 350 Cb 0.19 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 1ukp n GLU 350 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ukp s GLN 351 N -2.25 2.89 0.31 3.49 -1.52 -0.93 -5.04 119.66 116.60 1ukp s GLN 351 Ca 0.35 -0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 1ukp s GLN 351 Cb 0.21 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 30.15 1ukp s GLN 351 CO 0.42 0.59 1.35 -1.25 -0.25 0.00 0.00 175.29 176.15 1ukp s PRO 352 N -2.08 4.32 0.46 2.91 0.04 -1.26 -4.90 135.00 134.49 1ukp s PRO 352 Ca 0.26 2.25 0.19 0.00 0.04 0.00 0.00 61.00 63.74 1ukp s PRO 352 Cb -0.12 -3.08 1.17 0.00 0.04 0.00 0.00 34.50 32.51 1ukp s PRO 352 CO 0.18 -0.27 1.94 0.77 0.04 0.00 0.00 177.00 179.65 1ukp h SER 353 N 3.87 0.26 0.48 6.66 0.02 -1.96 -0.41 113.55 122.47 1ukp h SER 353 Ca -0.48 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1ukp h SER 353 Cb 1.22 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ukp h SER 353 CO 0.69 0.13 0.00 -0.90 -1.14 0.00 0.00 176.83 175.61 1ukp n ASP 354 N -4.44 0.56 0.06 3.07 5.75 -1.26 -2.08 116.55 118.22 1ukp n ASP 354 Ca 0.14 0.67 0.12 0.00 -0.01 0.00 0.00 54.79 55.71 1ukp n ASP 354 Cb 0.58 -0.78 0.25 0.00 -1.03 0.00 0.00 41.12 40.14 1ukp n ASP 354 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukp n ALA 355 N -1.74 2.79 -4.02 2.12 0.00 -0.16 -4.94 120.51 114.55 1ukp n ALA 355 Ca 0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1ukp n ALA 355 Cb 0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1ukp n ALA 355 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ukp n LYS 356 N -2.08 -3.79 -3.22 0.00 4.76 -0.88 -1.26 118.16 111.69 1ukp n LYS 356 Ca 0.04 0.45 -0.38 0.00 -2.87 0.00 0.00 58.31 55.54 1ukp n LYS 356 Cb 0.43 -4.95 -0.06 0.00 -1.84 0.00 0.00 35.03 28.60 1ukp n LYS 356 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ukp s SER 357 N -3.80 7.09 -0.38 4.39 0.15 -1.26 -1.75 113.70 118.15 1ukp s SER 357 Ca 0.38 1.32 0.11 0.00 0.70 0.00 0.00 55.95 58.47 1ukp s SER 357 Cb -0.20 -2.38 0.33 0.00 -1.71 0.00 0.00 66.02 62.06 1ukp s SER 357 CO 0.89 0.23 0.70 0.61 1.20 0.00 0.00 173.24 176.86 1ukp n GLY 358 N 1.51 3.41 0.35 9.45 0.00 -0.73 -4.84 105.19 114.34 1ukp n GLY 358 Ca -0.08 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1ukp n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukp h PRO 359 N 3.17 1.03 -0.01 1.61 0.13 -1.91 -1.26 132.00 134.77 1ukp h PRO 359 Ca 0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ukp h PRO 359 Cb 0.96 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ukp h PRO 359 CO 0.49 0.68 -0.01 1.96 -0.23 0.00 0.00 178.00 180.89 1ukp h GLN 360 N 1.06 -0.00 -0.76 0.86 4.20 -1.89 -0.80 115.11 117.77 1ukp h GLN 360 Ca 0.43 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 1ukp h GLN 360 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1ukp h GLN 360 CO -0.20 -0.00 0.26 0.93 -0.67 0.00 0.00 178.83 179.15 1ukp h GLU 361 N -0.01 1.17 0.05 1.46 3.07 -1.89 -2.43 114.58 116.01 1ukp h GLU 361 Ca 0.01 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1ukp h GLU 361 Cb 0.01 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1ukp h GLU 361 CO -0.01 0.98 -0.02 1.25 -1.40 0.00 0.00 179.01 179.80 1ukp h LEU 362 N 1.13 -0.06 -0.45 1.33 5.85 -0.99 -1.54 115.31 120.59 1ukp h LEU 362 Ca 0.25 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1ukp h LEU 362 Cb 0.28 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1ukp h LEU 362 CO -0.01 0.04 0.11 0.58 -0.34 0.00 0.00 178.44 178.82 1ukp h VAL 363 N -0.15 0.79 -0.93 1.05 2.07 -1.08 -0.65 116.25 117.35 1ukp h VAL 363 Ca -0.01 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ukp h VAL 363 Cb 0.13 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1ukp h VAL 363 CO 0.01 0.05 0.60 1.56 0.02 0.00 0.00 177.57 179.81 1ukp h GLN 364 N 0.26 1.10 0.04 1.57 4.20 -1.26 0.46 115.11 121.48 1ukp h GLN 364 Ca 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1ukp h GLN 364 Cb 0.26 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ukp h GLN 364 CO -0.27 0.73 -0.02 0.37 -0.67 0.00 0.00 178.83 178.97 1ukp h GLN 365 N 1.13 -0.06 -0.35 1.46 4.15 -0.43 -1.81 115.11 119.20 1ukp h GLN 365 Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 1ukp h GLN 365 Cb 0.08 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1ukp h GLN 365 CO -0.14 0.29 0.16 0.28 -1.93 0.00 0.00 178.83 177.49 1ukp h VAL 366 N -0.41 1.17 -0.29 2.39 2.07 -0.94 -0.76 116.25 119.48 1ukp h VAL 366 Ca -0.01 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1ukp h VAL 366 Cb 0.37 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1ukp h VAL 366 CO 0.01 0.18 0.07 -0.07 0.02 0.00 0.00 177.57 177.77 1ukp h LEU 367 N 0.43 0.45 -0.73 2.57 4.07 -0.98 -1.90 115.31 119.22 1ukp h LEU 367 Ca 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1ukp h LEU 367 Cb 0.13 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1ukp h LEU 367 CO -0.01 0.57 0.44 0.28 -1.08 0.00 0.00 178.44 178.64 1ukp h SER 368 N 0.31 0.88 -0.24 -0.43 0.02 -1.25 -1.20 113.55 111.64 1ukp h SER 368 Ca 0.09 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ukp h SER 368 Cb 0.30 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1ukp h SER 368 CO 0.00 0.69 0.13 1.23 -1.14 0.00 0.00 176.83 177.74 1ukp h GLY 369 N 1.00 0.32 0.85 -3.77 0.00 -1.02 -0.56 103.07 99.89 1ukp h GLY 369 Ca 0.26 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1ukp h GLY 369 CO -0.05 0.09 0.20 -1.33 0.00 0.00 0.00 176.54 175.45 1ukp h GLY 370 N 0.27 0.52 2.00 4.60 0.00 -0.93 -2.21 103.07 107.33 1ukp h GLY 370 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1ukp h GLY 370 CO -0.05 0.12 -0.24 1.49 0.00 0.00 0.00 176.54 177.86 1ukp h TRP 371 N 0.42 0.00 0.00 5.60 6.55 -0.93 -1.92 115.95 125.67 1ukp h TRP 371 Ca 0.16 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.88 1ukp h TRP 371 Cb 0.05 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 1ukp h TRP 371 CO -0.09 0.24 -0.57 0.00 -1.05 0.00 0.00 178.44 176.97 1ukp h ARG 372 N 0.00 0.00 -0.21 0.49 3.08 -0.53 -2.31 114.38 114.90 1ukp h ARG 372 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ukp h ARG 372 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ukp h ARG 372 CO 0.03 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.89 1ukp n GLU 373 N -3.85 1.73 -3.59 0.04 -0.58 -0.78 -4.95 120.64 108.66 1ukp n GLU 373 Ca -0.01 -1.10 -0.22 0.00 -0.42 0.00 0.00 57.16 55.40 1ukp n GLU 373 Cb 0.58 -1.36 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 1ukp n GLU 373 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ukp n TYR 374 N 0.34 -2.51 -4.49 -0.32 4.01 -0.87 -4.91 117.16 108.42 1ukp n TYR 374 Ca 0.15 0.96 -0.25 0.00 -0.16 0.00 0.00 57.90 58.60 1ukp n TYR 374 Cb 0.31 -4.88 -0.10 0.00 -0.31 0.00 0.00 39.34 34.36 1ukp n TYR 374 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1ukp s ILE 375 N -3.36 2.37 0.35 -0.72 -4.36 -0.86 -5.03 121.20 109.58 1ukp s ILE 375 Ca 0.36 -2.17 -0.20 0.00 -0.26 0.00 0.00 60.65 58.38 1ukp s ILE 375 Cb -0.16 -2.65 -0.10 0.00 1.25 0.00 0.00 42.46 40.80 1ukp s ILE 375 CO 0.75 -0.22 0.85 -0.13 0.24 0.00 0.00 174.94 176.43 1ukp s ARG 376 N -3.63 4.23 -0.07 0.37 0.52 -1.26 -4.35 118.95 114.76 1ukp s ARG 376 Ca 0.33 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1ukp s ARG 376 Cb 0.01 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 33.04 1ukp s ARG 376 CO 0.17 0.14 -0.05 0.08 0.02 0.00 0.00 175.30 175.66 1ukp s VAL 377 N -1.93 0.69 0.49 3.52 1.01 -1.26 -1.63 120.40 121.29 1ukp s VAL 377 Ca 0.55 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1ukp s VAL 377 Cb -0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1ukp s VAL 377 CO 0.17 0.29 0.05 0.00 0.00 0.00 0.00 175.10 175.61 1ukp s ALA 378 N 1.38 3.93 0.16 5.51 0.00 0.57 -0.64 121.76 132.67 1ukp s ALA 378 Ca -0.03 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 1ukp s ALA 378 Cb -0.13 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.02 1ukp s ALA 378 CO -0.03 -0.09 0.99 0.20 0.00 0.00 0.00 175.76 176.84 1ukp s GLY 379 N -3.88 -0.12 0.23 0.00 0.00 -1.12 -0.38 107.32 102.06 1ukp s GLY 379 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1ukp s GLY 379 CO 0.09 0.69 0.09 -0.54 0.00 0.00 0.00 173.10 173.43 1ukp s GLU 380 N -2.89 1.31 0.15 2.90 2.02 -0.27 -1.26 118.70 120.66 1ukp s GLU 380 Ca 0.15 -1.69 -0.23 0.00 0.02 0.00 0.00 54.97 53.22 1ukp s GLU 380 Cb -0.02 -0.13 -0.08 0.00 0.10 0.00 0.00 34.13 34.01 1ukp s GLU 380 CO 0.03 -0.30 0.72 0.54 0.02 0.00 0.00 175.26 176.28 1ukp s ASN 381 N -3.25 7.27 -0.01 -0.19 4.22 -1.25 -2.28 114.94 119.45 1ukp s ASN 381 Ca 0.36 1.53 -0.24 0.00 -2.14 0.00 0.00 52.86 52.37 1ukp s ASN 381 Cb 0.07 -2.46 -0.19 0.00 1.28 0.00 0.00 41.25 39.96 1ukp s ASN 381 CO 0.12 0.20 1.25 0.00 -2.04 0.00 0.00 177.10 176.63 1ukp h ALA 382 N 4.23 0.09 -2.69 3.54 0.00 -1.90 -3.43 119.26 119.10 1ukp h ALA 382 Ca -0.48 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 1ukp h ALA 382 Cb 1.21 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1ukp h ALA 382 CO 0.65 -0.07 -0.78 -0.51 0.00 0.00 0.00 179.25 178.55 1ukp s LEU 383 N -9.05 2.50 0.09 0.00 1.43 -1.26 -4.98 118.68 107.41 1ukp s LEU 383 Ca -0.15 -0.94 -0.32 0.00 -1.03 0.00 0.00 54.13 51.69 1ukp s LEU 383 Cb 0.03 -0.99 -0.11 0.00 0.03 0.00 0.00 46.19 45.15 1ukp s LEU 383 CO 0.71 0.02 1.82 -2.65 0.23 0.00 0.00 176.35 176.48 1ukp n PRO 384 N -0.08 2.65 -3.91 1.29 -0.02 -1.26 -4.99 135.00 128.68 1ukp n PRO 384 Ca -0.10 0.96 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1ukp n PRO 384 Cb 0.58 -2.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 1ukp n PRO 384 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ukp s ARG 385 N 2.81 0.20 0.00 -0.52 1.81 -1.26 -5.04 118.95 116.95 1ukp s ARG 385 Ca 0.83 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.56 1ukp s ARG 385 Cb -0.53 0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.05 1ukp s ARG 385 CO 0.39 -0.04 0.16 0.66 -0.68 0.00 0.00 175.30 175.80 1ukp n TYR 386 N 2.27 0.00 -2.73 -0.53 4.01 -1.26 -5.01 117.16 113.90 1ukp n TYR 386 Ca -0.18 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.25 1ukp n TYR 386 Cb 0.57 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 1ukp n TYR 386 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1ukp s ASP 387 N -0.24 6.58 0.30 7.72 -4.77 -1.26 -4.84 116.67 120.15 1ukp s ASP 387 Ca 0.00 1.30 -0.01 0.00 -3.30 0.00 0.00 52.55 50.54 1ukp s ASP 387 Cb 0.00 -2.39 0.45 0.00 -1.09 0.00 0.00 42.92 39.89 1ukp s ASP 387 CO 0.00 -0.44 1.91 0.00 0.70 0.00 0.00 175.17 177.34 1ukp h ALA 388 N 1.25 1.35 -0.76 2.11 0.00 -1.98 -2.60 119.26 118.62 1ukp h ALA 388 Ca -0.47 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1ukp h ALA 388 Cb 1.19 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1ukp h ALA 388 CO 0.63 0.53 0.42 1.15 0.00 0.00 0.00 179.25 181.98 1ukp h THR 389 N 0.95 0.92 -0.40 0.00 2.02 -2.00 0.25 112.91 114.65 1ukp h THR 389 Ca 0.24 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1ukp h THR 389 Cb 0.05 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1ukp h THR 389 CO -0.04 0.13 -0.16 0.00 0.37 0.00 0.00 175.52 175.83 1ukp h ALA 390 N 1.42 0.55 -0.53 6.16 0.00 -1.76 -2.80 119.26 122.31 1ukp h ALA 390 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ukp h ALA 390 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ukp h ALA 390 CO -0.23 0.48 0.02 1.88 0.00 0.00 0.00 179.25 181.40 1ukp h TYR 391 N 0.61 0.93 -0.54 0.00 0.05 -1.13 -2.45 116.97 114.45 1ukp h TYR 391 Ca 0.09 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1ukp h TYR 391 Cb 0.70 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1ukp h TYR 391 CO 0.05 0.83 0.09 -0.91 -1.05 0.00 0.00 178.16 177.18 1ukp h ASN 392 N 0.82 0.81 -0.31 3.88 2.35 -0.89 -0.97 115.58 121.26 1ukp h ASN 392 Ca 0.16 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1ukp h ASN 392 Cb 0.45 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1ukp h ASN 392 CO 0.02 0.82 -0.12 -0.61 -1.65 0.00 0.00 177.43 175.89 1ukp h GLN 393 N 0.82 0.74 -0.14 0.81 5.75 -1.24 -0.56 115.11 121.28 1ukp h GLN 393 Ca 0.17 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1ukp h GLN 393 Cb 0.37 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1ukp h GLN 393 CO 0.01 0.83 0.02 0.82 -2.65 0.00 0.00 178.83 177.86 1ukp h ILE 394 N 0.67 1.22 -0.94 2.39 2.04 -0.96 -2.16 117.51 119.77 1ukp h ILE 394 Ca 0.11 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1ukp h ILE 394 Cb 0.59 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1ukp h ILE 394 CO 0.04 0.21 0.62 0.40 0.00 0.00 0.00 178.15 179.42 1ukp h ILE 395 N 0.01 1.22 -0.10 -0.67 2.04 -1.01 0.51 117.51 119.51 1ukp h ILE 395 Ca 0.04 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1ukp h ILE 395 Cb 0.30 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1ukp h ILE 395 CO 0.00 0.23 -0.02 0.25 0.00 0.00 0.00 178.15 178.61 1ukp h LEU 396 N 1.25 -0.08 -1.35 1.44 5.85 -0.90 -2.57 115.31 118.96 1ukp h LEU 396 Ca 0.35 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 1ukp h LEU 396 Cb -0.10 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1ukp h LEU 396 CO -0.09 -0.02 -0.33 0.78 -0.34 0.00 0.00 178.44 178.44 1ukp h ASN 397 N 0.01 0.00 0.45 1.25 2.35 -0.70 -1.48 115.58 117.46 1ukp h ASN 397 Ca 0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1ukp h ASN 397 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1ukp h ASN 397 CO -0.09 0.33 -0.30 0.00 -1.65 0.00 0.00 177.43 175.71 1ukp h ALA 398 N 1.67 1.30 -1.77 -0.83 0.00 -0.54 -3.34 119.26 115.76 1ukp h ALA 398 Ca -0.00 -0.27 -0.45 0.00 0.00 0.00 0.00 54.91 54.18 1ukp h ALA 398 Cb 0.59 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.02 1ukp h ALA 398 CO 0.04 0.38 -0.86 0.54 0.00 0.00 0.00 179.25 179.35 1ukp n ARG 399 N -3.89 0.43 -0.36 0.00 1.74 -1.03 -0.73 116.66 112.82 1ukp n ARG 399 Ca -0.02 -2.80 0.27 0.00 -0.77 0.00 0.00 57.85 54.53 1ukp n ARG 399 Cb 0.38 -1.51 0.52 0.00 -1.02 0.00 0.00 32.46 30.83 1ukp n ARG 399 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ukp h PRO 400 N 4.99 0.28 -0.42 5.56 0.11 -1.40 0.14 132.00 141.25 1ukp h PRO 400 Ca 0.14 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 1ukp h PRO 400 Cb 0.96 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 1ukp h PRO 400 CO 0.31 0.18 0.05 1.04 -0.21 0.00 0.00 178.00 179.38 1ukp n GLN 401 N -4.89 3.18 -0.09 1.05 6.02 -1.26 -1.74 117.38 119.65 1ukp n GLN 401 Ca 0.32 -2.99 0.01 0.00 -0.01 0.00 0.00 57.00 54.32 1ukp n GLN 401 Cb 1.06 -1.98 -0.00 0.00 1.02 0.00 0.00 30.24 30.34 1ukp n GLN 401 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ukp n GLY 402 N -0.40 -1.65 3.80 1.08 0.00 0.49 -4.87 105.19 103.65 1ukp n GLY 402 Ca 0.29 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1ukp n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukp s VAL 403 N -0.21 3.82 -0.21 1.61 1.01 -1.26 -4.58 120.40 120.58 1ukp s VAL 403 Ca 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1ukp s VAL 403 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1ukp s VAL 403 CO 0.00 -0.19 -0.04 0.21 0.00 0.00 0.00 175.10 175.07 1ukp s ASN 404 N -1.91 4.36 0.38 3.32 2.47 -1.26 -4.97 114.94 117.33 1ukp s ASN 404 Ca 0.65 -0.36 0.28 0.00 0.42 0.00 0.00 52.86 53.85 1ukp s ASN 404 Cb -0.17 -1.74 1.14 0.00 -1.45 0.00 0.00 41.25 39.02 1ukp s ASN 404 CO 0.21 0.01 1.83 0.78 -3.72 0.00 0.00 177.10 176.20 1ukp h ASN 405 N 7.92 0.00 -1.23 -4.21 2.35 -1.95 -3.31 115.58 115.14 1ukp h ASN 405 Ca -0.39 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.85 1ukp h ASN 405 Cb 1.17 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.12 1ukp h ASN 405 CO 0.60 0.00 -0.90 0.59 -1.65 0.00 0.00 177.43 176.07 1ukp n ASN 406 N -2.61 3.62 0.00 5.81 5.03 -1.26 -4.42 115.26 121.42 1ukp n ASN 406 Ca 0.02 -3.34 0.00 0.00 0.87 0.00 0.00 54.58 52.13 1ukp n ASN 406 Cb 0.27 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 1ukp n ASN 406 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ukp n GLY 407 N -0.39 0.71 3.74 7.41 0.00 -1.25 -4.97 105.19 110.44 1ukp n GLY 407 Ca 0.29 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1ukp n GLY 407 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ukp s PRO 408 N -1.47 2.10 0.59 1.61 0.04 -1.26 -4.43 135.00 132.18 1ukp s PRO 408 Ca 0.00 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 1ukp s PRO 408 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1ukp s PRO 408 CO 0.00 -1.80 1.21 -0.35 0.04 0.00 0.00 177.00 176.10 1ukp n PRO 409 N -3.19 1.28 -0.20 0.56 -0.04 -1.26 -4.72 135.00 127.43 1ukp n PRO 409 Ca 0.11 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 1ukp n PRO 409 Cb 0.52 -2.42 0.35 0.00 -0.04 0.00 0.00 33.50 31.91 1ukp n PRO 409 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ukp h LYS 410 N 0.90 0.73 -3.33 0.54 6.56 -1.91 -3.42 116.57 116.66 1ukp h LYS 410 Ca -0.50 -0.04 -0.18 0.00 -1.06 0.00 0.00 60.65 58.86 1ukp h LYS 410 Cb 1.33 -0.17 -0.26 0.00 -0.57 0.00 0.00 32.23 32.57 1ukp h LYS 410 CO 0.54 0.49 -0.52 -0.51 -2.06 0.00 0.00 179.45 177.39 1ukp s LEU 411 N -9.72 1.36 -0.18 2.94 1.43 -1.26 -5.08 118.68 108.17 1ukp s LEU 411 Ca -0.10 0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 53.05 1ukp s LEU 411 Cb 0.20 0.58 0.10 0.00 0.03 0.00 0.00 46.19 47.10 1ukp s LEU 411 CO 0.78 -0.07 0.87 -0.94 0.23 0.00 0.00 176.35 177.22 1ukp s SER 412 N 0.05 -0.53 0.62 2.29 1.04 -1.26 -4.07 113.70 111.83 1ukp s SER 412 Ca -0.00 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.08 1ukp s SER 412 Cb -0.01 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1ukp s SER 412 CO 0.00 -0.35 1.04 -0.04 0.98 0.00 0.00 173.24 174.88 1ukp s MET 413 N -0.53 3.34 0.34 4.02 -1.94 0.09 -4.82 119.30 119.79 1ukp s MET 413 Ca -0.03 1.02 0.17 0.00 -1.71 0.00 0.00 55.69 55.15 1ukp s MET 413 Cb -0.02 -2.04 0.44 0.00 2.01 0.00 0.00 34.83 35.22 1ukp s MET 413 CO 0.02 -0.78 1.62 0.35 -0.01 0.00 0.00 175.02 176.21 1ukp h PHE 414 N 0.05 0.00 0.00 -0.03 3.57 -1.23 -3.48 116.94 115.83 1ukp h PHE 414 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1ukp h PHE 414 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1ukp h PHE 414 CO 0.61 0.43 0.00 0.41 -2.23 0.00 0.00 178.31 177.54 1ukp n GLY 415 N 0.64 0.21 2.84 2.40 0.00 -1.26 -4.50 105.19 105.50 1ukp n GLY 415 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1ukp n GLY 415 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukp s VAL 416 N -2.00 0.27 -0.22 1.61 1.01 -0.91 -2.78 120.40 117.38 1ukp s VAL 416 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1ukp s VAL 416 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1ukp s VAL 416 CO 0.00 0.17 -0.03 -0.89 0.00 0.00 0.00 175.10 174.35 1ukp s THR 417 N 1.01 3.47 -0.02 3.92 2.01 -0.39 -0.84 115.64 124.80 1ukp s THR 417 Ca -0.10 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 1ukp s THR 417 Cb -0.14 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 1ukp s THR 417 CO -0.01 0.42 0.60 -0.47 -0.69 0.00 0.00 174.62 174.46 1ukp s TYR 418 N 1.49 3.66 -0.22 4.92 5.04 0.01 -3.77 117.35 128.48 1ukp s TYR 418 Ca 0.06 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.81 1ukp s TYR 418 Cb -0.14 -2.62 -0.03 0.00 0.35 0.00 0.00 41.96 39.52 1ukp s TYR 418 CO -0.03 0.31 0.03 -1.17 -1.34 0.00 0.00 175.55 173.35 1ukp s LEU 419 N -0.03 3.34 0.09 6.97 0.20 -1.26 -1.32 118.68 126.66 1ukp s LEU 419 Ca 0.31 -0.19 -0.14 0.00 0.69 0.00 0.00 54.13 54.80 1ukp s LEU 419 Cb -0.18 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1ukp s LEU 419 CO 0.17 0.03 0.33 -0.60 -0.29 0.00 0.00 176.35 175.99 1ukp s ARG 420 N 1.19 0.95 0.18 1.98 3.52 -1.26 -4.56 118.95 120.94 1ukp s ARG 420 Ca 0.04 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1ukp s ARG 420 Cb -0.14 0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 33.57 1ukp s ARG 420 CO 0.02 -0.34 1.40 -1.17 -0.81 0.00 0.00 175.30 174.40 1ukp s LEU 421 N -2.60 4.39 0.17 -0.88 2.96 0.59 -4.85 118.68 118.46 1ukp s LEU 421 Ca 0.01 2.47 -0.24 0.00 -0.22 0.00 0.00 54.13 56.15 1ukp s LEU 421 Cb 0.02 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.16 1ukp s LEU 421 CO -0.09 -0.65 0.93 -0.94 -1.32 0.00 0.00 176.35 174.27 1ukp s SER 422 N 0.70 -0.19 0.45 3.68 1.04 -1.26 -3.99 113.70 114.14 1ukp s SER 422 Ca 0.62 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.85 1ukp s SER 422 Cb -0.39 0.52 1.06 0.00 0.10 0.00 0.00 66.02 67.31 1ukp s SER 422 CO 0.36 -0.96 1.91 0.44 0.98 0.00 0.00 173.24 175.97 1ukp h ASP 423 N 2.00 0.00 -0.52 7.02 3.32 -1.99 -2.53 116.42 123.72 1ukp h ASP 423 Ca -0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 1ukp h ASP 423 Cb 1.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1ukp h ASP 423 CO 0.25 0.23 0.13 0.44 -1.72 0.00 0.00 179.24 178.57 1ukp h ASP 424 N 0.00 0.83 0.22 6.45 3.45 -1.96 -1.38 116.42 124.02 1ukp h ASP 424 Ca -0.00 -0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.25 1ukp h ASP 424 Cb 0.60 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1ukp h ASP 424 CO 0.03 0.81 -0.22 0.25 -1.57 0.00 0.00 179.24 178.54 1ukp h LEU 425 N 0.85 0.01 -0.08 1.55 5.85 -1.78 -2.71 115.31 119.00 1ukp h LEU 425 Ca 0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1ukp h LEU 425 Cb 0.32 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ukp h LEU 425 CO 0.00 0.24 -0.13 0.18 -0.34 0.00 0.00 178.44 178.38 1ukp n LEU 426 N -4.27 0.25 -4.75 2.25 4.32 -0.56 -2.32 117.00 111.93 1ukp n LEU 426 Ca -0.02 0.21 -0.39 0.00 -0.02 0.00 0.00 56.01 55.79 1ukp n LEU 426 Cb 0.28 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 41.81 1ukp n LEU 426 CO 0.37 0.05 0.99 0.00 -1.22 0.00 0.00 177.39 177.58 1ukp n GLN 427 N -1.29 1.70 -0.25 3.23 6.02 -0.97 -4.66 117.38 121.16 1ukp n GLN 427 Ca 0.10 0.62 -0.06 0.00 -0.01 0.00 0.00 57.00 57.65 1ukp n GLN 427 Cb 0.30 -2.59 -0.02 0.00 1.02 0.00 0.00 30.24 28.96 1ukp n GLN 427 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ukp h LYS 428 N 1.42 -0.15 0.58 -1.09 3.64 -1.90 0.49 116.57 119.56 1ukp h LYS 428 Ca -0.51 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1ukp h LYS 428 Cb 1.30 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1ukp h LYS 428 CO 0.57 -0.10 -0.29 0.77 -2.27 0.00 0.00 179.45 178.13 1ukp h SER 429 N -0.15 -0.70 -0.32 4.20 0.02 -1.95 -1.25 113.55 113.40 1ukp h SER 429 Ca 0.22 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1ukp h SER 429 Cb 0.56 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1ukp h SER 429 CO -0.76 -0.49 0.14 0.78 -1.14 0.00 0.00 176.83 175.36 1ukp h ASN 430 N -0.80 0.19 -0.55 3.07 2.35 -1.77 -2.85 115.58 115.22 1ukp h ASN 430 Ca -0.08 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1ukp h ASN 430 Cb 0.62 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1ukp h ASN 430 CO 0.12 0.14 0.24 0.15 -1.65 0.00 0.00 177.43 176.44 1ukp h PHE 431 N 0.30 0.84 -0.08 1.19 3.57 -0.49 -0.76 116.94 121.50 1ukp h PHE 431 Ca 0.14 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1ukp h PHE 431 Cb 0.08 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1ukp h PHE 431 CO -0.12 0.64 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.41 1ukp h ASN 432 N 0.83 0.15 0.41 0.41 2.35 -1.00 0.49 115.58 119.22 1ukp h ASN 432 Ca 0.20 -0.05 -0.26 0.00 -0.55 0.00 0.00 56.30 55.64 1ukp h ASN 432 Cb 0.15 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.49 1ukp h ASN 432 CO -0.02 0.44 -1.14 0.40 -1.65 0.00 0.00 177.43 175.47 1ukp h ILE 433 N 0.14 1.41 -0.82 2.81 2.04 -1.23 -3.11 117.51 118.74 1ukp h ILE 433 Ca 0.02 -2.69 -0.03 0.00 1.00 0.00 0.00 64.86 63.15 1ukp h ILE 433 Cb 0.59 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 39.33 1ukp h ILE 433 CO 0.04 0.80 0.39 0.15 0.00 0.00 0.00 178.15 179.53 1ukp h PHE 434 N 0.17 1.19 -0.34 1.37 3.57 -0.63 -1.92 116.94 120.36 1ukp h PHE 434 Ca -0.13 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1ukp h PHE 434 Cb 1.81 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1ukp h PHE 434 CO 0.07 0.87 0.13 0.87 -2.23 0.00 0.00 178.31 178.02 1ukp h LYS 435 N 1.17 0.47 -0.07 1.11 1.57 -0.92 -1.54 116.57 118.36 1ukp h LYS 435 Ca 0.28 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 1ukp h LYS 435 Cb 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ukp h LYS 435 CO -0.03 0.40 -0.64 0.87 -0.57 0.00 0.00 179.45 179.48 1ukp h LYS 436 N 0.47 0.27 -0.55 3.15 1.57 -1.31 -2.38 116.57 117.79 1ukp h LYS 436 Ca 0.12 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1ukp h LYS 436 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ukp h LYS 436 CO -0.01 0.82 0.08 0.35 -0.57 0.00 0.00 179.45 180.11 1ukp h PHE 437 N 0.20 0.99 -0.60 -1.35 3.57 -0.61 -1.94 116.94 117.20 1ukp h PHE 437 Ca -0.01 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.28 1ukp h PHE 437 Cb 1.16 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1ukp h PHE 437 CO 0.03 0.87 0.12 0.28 -2.23 0.00 0.00 178.31 177.38 1ukp h VAL 438 N 0.81 1.26 -0.47 1.41 2.07 -1.21 -1.46 116.25 118.66 1ukp h VAL 438 Ca 0.17 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ukp h VAL 438 Cb 0.43 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ukp h VAL 438 CO 0.01 0.36 0.29 0.25 0.02 0.00 0.00 177.57 178.50 1ukp h LEU 439 N 0.89 0.56 -0.67 2.57 5.85 -1.20 -1.72 115.31 121.58 1ukp h LEU 439 Ca 0.19 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1ukp h LEU 439 Cb 0.39 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1ukp h LEU 439 CO 0.01 0.44 -0.03 0.11 -0.34 0.00 0.00 178.44 178.63 1ukp h LYS 440 N 0.63 1.00 -0.16 1.25 1.79 -1.20 -0.12 116.57 119.77 1ukp h LYS 440 Ca 0.17 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1ukp h LYS 440 Cb -0.03 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1ukp h LYS 440 CO -0.03 1.00 -0.01 0.52 -1.08 0.00 0.00 179.45 179.84 1ukp h MET 441 N 0.91 0.22 -0.37 3.15 2.86 -1.05 -0.12 114.93 120.53 1ukp h MET 441 Ca 0.16 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ukp h MET 441 Cb 0.57 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ukp h MET 441 CO 0.03 0.26 0.00 0.72 1.06 0.00 0.00 176.91 178.99 1ukp n HIS 442 N -4.39 0.41 -3.64 -0.22 8.25 -0.67 -1.12 115.22 113.84 1ukp n HIS 442 Ca -0.01 -0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 57.03 1ukp n HIS 442 Cb 0.18 -0.05 0.07 0.00 1.12 0.00 0.00 29.99 31.31 1ukp n HIS 442 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp n ALA 443 N 0.23 -1.38 -1.13 -1.41 0.00 -0.06 -1.82 120.51 114.94 1ukp n ALA 443 Ca 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 1ukp n ALA 443 Cb 0.28 -5.05 -0.02 0.00 0.00 0.00 0.00 19.45 14.66 1ukp n ALA 443 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ukp n ASP 444 N -3.00 -4.74 -4.90 0.00 8.00 -0.12 -4.86 116.55 106.92 1ukp n ASP 444 Ca -0.01 0.11 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 1ukp n ASP 444 Cb 0.57 -2.64 -0.03 0.00 -0.02 0.00 0.00 41.12 38.99 1ukp n ASP 444 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ukp s GLN 445 N -1.89 3.22 0.71 -1.24 -1.52 -0.76 -5.05 119.66 113.14 1ukp s GLN 445 Ca 0.00 -0.79 -0.11 0.00 -1.95 0.00 0.00 55.36 52.51 1ukp s GLN 445 Cb 0.00 -2.80 0.01 0.00 -0.22 0.00 0.00 33.01 30.01 1ukp s GLN 445 CO 0.00 0.46 1.06 -0.51 -0.25 0.00 0.00 175.29 176.06 1ukp s ASP 446 N -3.54 5.32 0.21 5.90 -0.00 -1.26 -4.77 116.67 118.52 1ukp s ASP 446 Ca 0.33 1.52 -0.31 0.00 -0.00 0.00 0.00 52.55 54.09 1ukp s ASP 446 Cb -0.10 -2.39 -0.15 0.00 -0.00 0.00 0.00 42.92 40.29 1ukp s ASP 446 CO 0.27 -1.47 1.09 0.00 -0.00 0.00 0.00 175.17 175.06 1ukp n TYR 447 N -3.13 1.19 -4.15 4.23 9.36 -1.26 -4.97 117.16 118.42 1ukp n TYR 447 Ca 0.07 0.70 -0.29 0.00 3.32 0.00 0.00 57.90 61.70 1ukp n TYR 447 Cb 0.54 -2.25 -0.17 0.00 -0.63 0.00 0.00 39.34 36.83 1ukp n TYR 447 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ukp h ALA 449 N 7.86 0.92 -2.01 0.00 0.00 -2.02 -3.42 119.26 120.58 1ukp h ALA 449 Ca -0.35 -0.50 -0.65 0.00 0.00 0.00 0.00 54.91 53.40 1ukp h ALA 449 Cb 1.15 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1ukp h ALA 449 CO 0.51 0.69 0.24 1.21 0.00 0.00 0.00 179.25 181.90 1ukp s ASN 450 N -6.66 6.28 0.57 0.00 2.47 -1.26 -4.92 114.94 111.42 1ukp s ASN 450 Ca -0.00 -0.61 0.29 0.00 0.42 0.00 0.00 52.86 52.95 1ukp s ASN 450 Cb 0.12 -2.35 1.47 0.00 -1.45 0.00 0.00 41.25 39.04 1ukp s ASN 450 CO 0.74 -0.99 1.93 -0.65 -3.72 0.00 0.00 177.10 174.41 1ukp h PRO 451 N 9.08 0.00 -0.81 0.43 0.11 -1.83 -0.90 132.00 138.07 1ukp h PRO 451 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1ukp h PRO 451 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1ukp h PRO 451 CO 0.99 0.00 0.39 0.37 -0.21 0.00 0.00 178.00 179.55 1ukp h GLN 452 N 0.00 1.17 -0.34 1.05 4.15 -1.92 0.28 115.11 119.50 1ukp h GLN 452 Ca 0.26 -0.17 0.10 0.00 0.77 0.00 0.00 58.65 59.61 1ukp h GLN 452 Cb 1.22 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1ukp h GLN 452 CO -0.00 0.90 0.29 0.87 -1.93 0.00 0.00 178.83 178.95 1ukp h LYS 453 N 1.15 0.00 -0.20 1.69 1.57 -1.54 -2.00 116.57 117.24 1ukp h LYS 453 Ca 0.28 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 1ukp h LYS 453 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1ukp h LYS 453 CO -0.04 0.00 -0.40 2.48 -0.57 0.00 0.00 179.45 180.92 1ukp n TYR 454 N -4.14 0.67 -3.18 -1.35 0.18 -0.72 -4.07 117.16 104.54 1ukp n TYR 454 Ca 0.05 -1.64 -0.21 0.00 1.88 0.00 0.00 57.90 57.99 1ukp n TYR 454 Cb 0.46 -0.35 0.05 0.00 -0.38 0.00 0.00 39.34 39.12 1ukp n TYR 454 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1ukp n ASN 455 N -1.07 -5.82 -4.04 9.48 5.03 -0.75 -4.84 115.26 113.25 1ukp n ASN 455 Ca 0.27 -0.36 -0.33 0.00 0.87 0.00 0.00 54.58 55.02 1ukp n ASN 455 Cb 0.82 -4.56 -0.09 0.00 -1.02 0.00 0.00 39.78 34.93 1ukp n ASN 455 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1ukp s HIS 456 N -3.19 3.64 0.01 3.10 3.76 0.92 -5.00 115.29 118.52 1ukp s HIS 456 Ca 0.39 -3.06 -0.31 0.00 -0.15 0.00 0.00 55.06 51.93 1ukp s HIS 456 Cb -0.17 -3.06 -0.10 0.00 1.11 0.00 0.00 32.58 30.37 1ukp s HIS 456 CO 0.48 -0.71 1.96 0.00 -0.85 0.00 0.00 174.74 175.62 1ukp n ALA 457 N 2.55 1.43 -3.24 -1.40 0.00 -1.26 -4.22 120.51 114.37 1ukp n ALA 457 Ca 0.17 0.23 -0.45 0.00 0.00 0.00 0.00 53.44 53.39 1ukp n ALA 457 Cb 0.36 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 1ukp n ALA 457 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ukp s ILE 458 N 4.39 5.01 0.22 0.00 -1.09 -1.26 -5.06 121.20 123.41 1ukp s ILE 458 Ca 0.90 -1.43 0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1ukp s ILE 458 Cb -0.49 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1ukp s ILE 458 CO 0.44 -0.77 -0.09 0.42 -1.23 0.00 0.00 174.94 173.71 1ukp s THR 459 N 1.57 1.49 0.18 2.92 -4.23 -1.26 -5.06 115.64 111.24 1ukp s THR 459 Ca 0.04 -2.13 -0.31 0.00 -1.18 0.00 0.00 61.69 58.11 1ukp s THR 459 Cb -0.28 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 1ukp s THR 459 CO 0.03 -0.51 1.45 -2.84 -0.54 0.00 0.00 174.62 172.22 1ukp s PRO 460 N -3.72 4.28 -0.02 3.99 0.02 -1.26 -4.02 135.00 134.26 1ukp s PRO 460 Ca 0.24 2.23 -0.34 0.00 0.02 0.00 0.00 61.00 63.15 1ukp s PRO 460 Cb 0.02 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.25 1ukp s PRO 460 CO 0.07 -0.47 1.83 -0.11 -0.33 0.00 0.00 177.00 177.99 1ukp n LEU 461 N 3.36 3.45 -4.91 -5.54 7.94 0.12 -4.76 117.00 116.65 1ukp n LEU 461 Ca 0.10 0.99 -0.27 0.00 -1.11 0.00 0.00 56.01 55.72 1ukp n LEU 461 Cb 0.41 -1.40 -0.01 0.00 0.53 0.00 0.00 43.42 42.95 1ukp n LEU 461 CO 0.60 -0.08 0.36 -0.44 -1.11 0.00 0.00 177.39 176.72 1ukp s SER 462 N 3.41 6.31 0.74 1.96 0.01 -1.26 -0.98 113.70 123.89 1ukp s SER 462 Ca 0.89 0.82 -0.13 0.00 1.31 0.00 0.00 55.95 58.83 1ukp s SER 462 Cb -0.67 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 63.41 1ukp s SER 462 CO 0.48 -0.46 1.14 -2.16 0.41 0.00 0.00 173.24 172.65 1ukp s PRO 463 N -4.44 2.23 0.73 12.44 0.04 -1.26 -4.92 135.00 139.82 1ukp s PRO 463 Ca 0.46 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1ukp s PRO 463 Cb -0.10 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1ukp s PRO 463 CO 0.40 -1.71 1.17 0.43 0.04 0.00 0.00 177.00 177.33 1ukp n SER 464 N -2.98 1.23 -4.61 6.66 7.64 -1.26 -4.99 113.62 115.30 1ukp n SER 464 Ca 0.11 0.69 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 1ukp n SER 464 Cb 0.52 -1.50 0.13 0.00 -1.01 0.00 0.00 64.21 62.35 1ukp n SER 464 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ukp s ALA 465 N -1.78 2.49 0.52 -0.43 0.00 0.14 -5.00 121.76 117.70 1ukp s ALA 465 Ca 0.77 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1ukp s ALA 465 Cb -0.34 -2.89 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1ukp s ALA 465 CO 0.47 -1.97 1.09 -2.30 0.00 0.00 0.00 175.76 173.05 1ukp n PRO 466 N -3.49 1.30 -1.65 0.00 -0.02 -1.26 -4.91 135.00 124.97 1ukp n PRO 466 Ca 0.11 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1ukp n PRO 466 Cb 0.60 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1ukp n PRO 466 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ukp n LYS 467 N -0.58 1.58 -3.83 -0.52 3.00 -1.26 -4.96 118.16 111.59 1ukp n LYS 467 Ca 0.11 0.57 -0.36 0.00 -0.00 0.00 0.00 58.31 58.63 1ukp n LYS 467 Cb 0.44 -2.21 -0.13 0.00 0.00 0.00 0.00 35.03 33.13 1ukp n LYS 467 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1ukp s ILE 468 N -1.25 3.97 0.50 3.15 1.01 -1.26 -5.08 121.20 122.23 1ukp s ILE 468 Ca 0.63 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 1ukp s ILE 468 Cb -0.53 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1ukp s ILE 468 CO 0.57 0.38 1.38 -2.16 0.00 0.00 0.00 174.94 175.10 1ukp s PRO 469 N 1.51 3.40 0.28 2.79 0.04 -1.26 -4.77 135.00 137.00 1ukp s PRO 469 Ca 0.06 2.30 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1ukp s PRO 469 Cb -0.15 -2.44 0.67 0.00 0.04 0.00 0.00 34.50 32.63 1ukp s PRO 469 CO 0.01 -1.00 1.64 0.97 0.04 0.00 0.00 177.00 178.66 1ukp h ILE 470 N 1.84 0.31 -0.32 0.56 6.09 -1.99 0.18 117.51 124.19 1ukp h ILE 470 Ca -0.51 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 62.90 1ukp h ILE 470 Cb 1.28 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 1ukp h ILE 470 CO 0.59 0.03 0.12 1.05 -3.07 0.00 0.00 178.15 176.87 1ukp h GLU 471 N 0.19 0.44 -0.15 2.19 9.09 -1.98 0.45 114.58 124.81 1ukp h GLU 471 Ca 0.53 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 59.72 1ukp h GLU 471 Cb 1.06 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1ukp h GLU 471 CO -0.66 0.38 -0.64 0.28 0.05 0.00 0.00 179.01 178.42 1ukp h VAL 472 N 0.44 1.33 -0.46 -1.06 2.07 -1.02 -2.53 116.25 115.03 1ukp h VAL 472 Ca 0.11 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.63 1ukp h VAL 472 Cb 0.11 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1ukp h VAL 472 CO -0.01 0.59 0.02 -0.07 0.02 0.00 0.00 177.57 178.12 1ukp h LEU 473 N 0.39 0.78 -0.31 2.57 3.38 -0.51 -2.80 115.31 118.80 1ukp h LEU 473 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ukp h LEU 473 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ukp h LEU 473 CO 0.12 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.71 1ukp n LEU 474 N -4.39 0.30 0.24 1.67 4.77 0.06 -1.78 117.00 117.87 1ukp n LEU 474 Ca 0.00 0.57 0.16 0.00 -0.03 0.00 0.00 56.01 56.72 1ukp n LEU 474 Cb 0.29 -0.53 0.69 0.00 -2.33 0.00 0.00 43.42 41.54 1ukp n LEU 474 CO 0.41 -0.39 0.97 -0.33 -1.33 0.00 0.00 177.39 176.73 1ukp h GLU 475 N 0.00 0.00 0.00 3.23 5.08 -1.17 -1.80 114.58 119.93 1ukp h GLU 475 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ukp h GLU 475 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ukp h GLU 475 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1ukp n ALA 476 N -2.00 2.60 1.07 3.43 0.00 -0.74 -2.97 120.51 121.90 1ukp n ALA 476 Ca 0.01 -0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1ukp n ALA 476 Cb 0.26 -1.49 0.64 0.00 0.00 0.00 0.00 19.45 18.86 1ukp n ALA 476 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukp n THR 477 N -1.02 0.00 -1.69 0.00 -2.24 -0.68 -4.33 114.28 104.32 1ukp n THR 477 Ca 0.22 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 1ukp n THR 477 Cb 0.11 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1ukp n THR 477 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ukp s LYS 478 N -2.93 4.14 0.33 -0.78 2.20 -1.16 0.29 119.74 121.83 1ukp s LYS 478 Ca 0.16 2.61 -0.29 0.00 -0.36 0.00 0.00 55.97 58.10 1ukp s LYS 478 Cb 0.19 -3.87 -0.12 0.00 -1.51 0.00 0.00 37.83 32.52 1ukp s LYS 478 CO 0.52 -0.90 1.40 -2.30 -0.36 0.00 0.00 175.35 173.71 1ukp n PRO 479 N 6.60 2.35 -3.84 4.03 -0.02 -1.26 -4.70 135.00 138.17 1ukp n PRO 479 Ca 0.19 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.37 1ukp n PRO 479 Cb 0.39 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 1ukp n PRO 479 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ukp s THR 480 N -0.83 -0.00 0.25 3.45 -4.23 -1.26 -5.06 115.64 107.95 1ukp s THR 480 Ca 0.57 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 1ukp s THR 480 Cb -0.54 -0.13 -0.10 0.00 1.34 0.00 0.00 72.50 73.07 1ukp s THR 480 CO 0.59 0.01 1.34 -0.13 -0.54 0.00 0.00 174.62 175.89 1ukp s ARG 481 N 0.12 4.35 0.91 3.99 0.52 -1.26 -5.00 118.95 122.59 1ukp s ARG 481 Ca -0.01 2.16 -0.11 0.00 -0.52 0.00 0.00 55.73 57.25 1ukp s ARG 481 Cb -0.01 -3.14 0.14 0.00 0.52 0.00 0.00 34.95 32.45 1ukp s ARG 481 CO -0.00 -0.27 1.09 -1.25 0.02 0.00 0.00 175.30 174.89 1ukp s PRO 482 N -0.63 1.13 0.49 3.54 0.04 -1.26 -4.99 135.00 133.32 1ukp s PRO 482 Ca 0.55 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.27 1ukp s PRO 482 Cb -0.39 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1ukp s PRO 482 CO 0.43 -2.35 1.12 -0.06 0.04 0.00 0.00 177.00 176.18 1ukp s PHE 483 N -2.88 2.85 0.43 0.56 0.08 -1.26 -4.96 117.98 112.80 1ukp s PHE 483 Ca 0.64 1.56 -0.25 0.00 0.12 0.00 0.00 56.93 58.99 1ukp s PHE 483 Cb -0.19 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 38.92 1ukp s PHE 483 CO 0.57 -1.33 1.32 -1.25 -0.10 0.00 0.00 175.22 174.43 1ukp s PRO 484 N -3.01 3.82 0.15 0.24 0.04 -1.26 -5.02 135.00 129.96 1ukp s PRO 484 Ca 0.67 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.98 1ukp s PRO 484 Cb -0.24 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1ukp s PRO 484 CO 0.28 -0.62 -0.11 -0.46 0.04 0.00 0.00 177.00 176.13 1ukp s TRP 485 N -1.28 2.64 0.60 0.56 -0.11 -1.26 -4.73 118.94 115.37 1ukp s TRP 485 Ca 0.59 -0.21 -0.13 0.00 1.22 0.00 0.00 56.10 57.57 1ukp s TRP 485 Cb -0.39 -1.34 -0.04 0.00 -1.50 0.00 0.00 33.47 30.21 1ukp s TRP 485 CO 0.49 0.46 1.03 -0.51 -4.62 0.00 0.00 176.95 173.80 1ukp s LEU 486 N -2.52 3.37 0.05 5.86 1.43 -0.71 -4.97 118.68 121.19 1ukp s LEU 486 Ca 0.23 1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 54.83 1ukp s LEU 486 Cb -0.10 -4.50 -0.31 0.00 0.03 0.00 0.00 46.19 41.32 1ukp s LEU 486 CO 0.14 -0.98 1.06 -0.78 0.23 0.00 0.00 176.35 176.02 1ukp h ASP 487 N 0.08 0.57 -3.89 2.29 -0.00 -2.00 -3.46 116.42 110.01 1ukp h ASP 487 Ca -0.45 -0.62 -0.22 0.00 -0.00 0.00 0.00 57.03 55.74 1ukp h ASP 487 Cb 1.20 -0.18 -0.27 0.00 -0.00 0.00 0.00 39.33 40.07 1ukp h ASP 487 CO 0.60 1.49 -0.71 -1.61 -0.00 0.00 0.00 179.24 179.01 1ukp s GLU 488 N -2.63 0.05 0.82 0.28 2.02 -1.26 -5.15 118.70 112.83 1ukp s GLU 488 Ca -0.06 -0.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.75 1ukp s GLU 488 Cb 0.06 0.02 0.09 0.00 0.10 0.00 0.00 34.13 34.40 1ukp s GLU 488 CO 0.90 -0.01 1.13 -0.08 0.02 0.00 0.00 175.26 177.23 1ukp s THR 489 N -0.18 2.65 -2.60 3.63 -1.32 -1.26 -4.93 115.64 111.62 1ukp s THR 489 Ca -0.02 0.23 0.24 0.00 -1.21 0.00 0.00 61.69 60.93 1ukp s THR 489 Cb -0.01 -2.53 0.39 0.00 -1.51 0.00 0.00 72.50 68.84 1ukp s THR 489 CO -0.00 -0.26 1.47 -0.90 -2.21 0.00 0.00 174.62 172.72 1ukp n ASP 490 N -3.65 2.49 -3.06 8.08 5.75 -1.26 -4.42 116.55 120.48 1ukp n ASP 490 Ca 0.11 -1.82 -0.23 0.00 -0.01 0.00 0.00 54.79 52.83 1ukp n ASP 490 Cb 0.52 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1ukp n ASP 490 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ukp n MET 491 N 0.90 2.23 -2.11 0.11 2.81 -1.26 -5.02 117.12 114.77 1ukp n MET 491 Ca 0.17 -4.21 -0.38 0.00 -1.81 0.00 0.00 57.70 51.47 1ukp n MET 491 Cb 0.49 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1ukp n MET 491 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ukp s LYS 492 N -2.97 3.70 0.53 0.03 1.02 -1.26 -4.88 119.74 115.91 1ukp s LYS 492 Ca 0.45 1.97 0.36 0.00 0.02 0.00 0.00 55.97 58.76 1ukp s LYS 492 Cb 0.30 -2.48 1.85 0.00 -0.52 0.00 0.00 37.83 36.98 1ukp s LYS 492 CO -0.11 -0.65 2.08 -0.39 -0.92 0.00 0.00 175.35 175.36 1ukp h VAL 493 N 1.96 0.00 0.00 3.17 -1.51 -1.90 -3.37 116.25 114.61 1ukp h VAL 493 Ca -0.50 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1ukp h VAL 493 Cb 1.26 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1ukp h VAL 493 CO 0.60 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.41 1ukp n ASP 494 N -2.80 0.00 -0.85 4.19 10.43 -1.26 -4.93 116.55 121.32 1ukp n ASP 494 Ca -0.02 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.45 1ukp n ASP 494 Cb 0.10 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.15 1ukp n ASP 494 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74