#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukc s PRO 27 N 0.00 4.25 -0.05 2.61 0.04 -1.26 -4.82 135.00 135.77 1ukc s PRO 27 Ca 0.00 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.42 1ukc s PRO 27 Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1ukc s PRO 27 CO 0.00 -0.39 -0.14 0.08 0.04 0.00 0.00 177.00 176.59 1ukc s VAL 28 N -0.52 1.18 -0.10 -0.36 1.01 -1.26 -0.93 120.40 119.43 1ukc s VAL 28 Ca 0.56 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1ukc s VAL 28 Cb -0.43 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1ukc s VAL 28 CO 0.50 0.36 -0.23 -0.63 0.00 0.00 0.00 175.10 175.10 1ukc s ILE 29 N 0.34 2.17 -0.31 2.22 -1.09 -0.25 -4.98 121.20 119.29 1ukc s ILE 29 Ca -0.08 -0.98 -0.10 0.00 -2.23 0.00 0.00 60.65 57.25 1ukc s ILE 29 Cb -0.13 -1.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1ukc s ILE 29 CO 0.03 0.56 0.16 0.21 -1.23 0.00 0.00 174.94 174.66 1ukc s ASN 30 N 0.28 5.58 0.00 3.58 3.04 -1.26 -1.02 114.94 125.14 1ukc s ASN 30 Ca -0.16 -0.54 0.23 0.00 0.04 0.00 0.00 52.86 52.43 1ukc s ASN 30 Cb -0.17 -2.01 0.14 0.00 -1.54 0.00 0.00 41.25 37.67 1ukc s ASN 30 CO 0.08 -0.20 1.18 0.18 -3.04 0.00 0.00 177.10 175.30 1ukc n LEU 31 N 4.99 1.89 0.00 3.21 4.77 0.16 -5.00 117.00 127.02 1ukc n LEU 31 Ca -0.14 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1ukc n LEU 31 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ukc n LEU 31 CO 0.34 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ukc n GLY 32 N 1.40 2.02 0.33 -0.72 0.00 -1.26 -4.65 105.19 102.32 1ukc n GLY 32 Ca 0.10 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.69 1ukc n GLY 32 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1ukc h TYR 33 N 0.00 0.00 -2.72 1.61 -0.00 -1.95 -3.45 116.97 110.46 1ukc h TYR 33 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 1ukc h TYR 33 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.59 1ukc h TYR 33 CO 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 178.16 178.44 1ukc s ALA 34 N -4.31 -1.67 -0.08 0.10 0.00 -1.26 -1.20 121.76 113.33 1ukc s ALA 34 Ca -0.05 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1ukc s ALA 34 Cb 0.13 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1ukc s ALA 34 CO 0.44 -0.70 -0.24 1.03 0.00 0.00 0.00 175.76 176.29 1ukc s ARG 35 N -3.31 2.70 0.01 0.00 0.52 -1.26 -0.67 118.95 116.95 1ukc s ARG 35 Ca 0.01 -0.86 0.09 0.00 -0.52 0.00 0.00 55.73 54.45 1ukc s ARG 35 Cb -0.01 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 1ukc s ARG 35 CO -0.10 0.26 -0.26 0.71 0.02 0.00 0.00 175.30 175.94 1ukc s TYR 36 N 0.12 2.32 -0.22 -0.53 1.51 -0.18 -0.85 117.35 119.52 1ukc s TYR 36 Ca -0.11 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.47 1ukc s TYR 36 Cb -0.16 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1ukc s TYR 36 CO 0.06 0.04 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.38 1ukc s GLN 37 N -0.90 3.46 0.00 -0.62 0.74 -0.38 -1.09 119.66 120.87 1ukc s GLN 37 Ca 0.11 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.93 1ukc s GLN 37 Cb -0.10 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1ukc s GLN 37 CO 0.00 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 1ukc n GLY 38 N 4.73 3.03 3.36 2.59 0.00 -0.10 -0.62 105.19 118.19 1ukc n GLY 38 Ca -0.18 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 1ukc n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 39 N 1.28 2.66 -0.20 1.61 1.01 -0.20 -3.86 120.40 122.71 1ukc s VAL 39 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1ukc s VAL 39 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1ukc s VAL 39 CO 0.00 0.56 0.19 -0.60 0.00 0.00 0.00 175.10 175.26 1ukc s ARG 40 N -0.21 4.19 0.12 2.72 3.52 -1.26 -0.20 118.95 127.83 1ukc s ARG 40 Ca -0.01 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1ukc s ARG 40 Cb -0.13 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1ukc s ARG 40 CO 0.03 0.23 0.21 -0.51 -0.81 0.00 0.00 175.30 174.45 1ukc s LEU 41 N 0.56 4.18 0.54 -0.88 1.43 -0.36 -5.00 118.68 119.14 1ukc s LEU 41 Ca 0.11 0.11 0.23 0.00 -1.03 0.00 0.00 54.13 53.55 1ukc s LEU 41 Cb -0.12 -2.77 1.44 0.00 0.03 0.00 0.00 46.19 44.77 1ukc s LEU 41 CO 0.01 0.10 2.08 -0.08 0.23 0.00 0.00 176.35 178.68 1ukc h GLU 42 N 2.54 0.00 0.00 1.70 4.81 -1.99 -1.87 114.58 119.77 1ukc h GLU 42 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ukc h GLU 42 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ukc h GLU 42 CO 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 1ukc n ALA 43 N -2.52 1.29 -2.00 2.92 0.00 -1.26 -4.81 120.51 114.13 1ukc n ALA 43 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ukc n ALA 43 Cb 0.36 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1ukc n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukc n GLY 44 N -1.06 0.36 3.07 0.00 0.00 -0.70 -4.92 105.19 101.94 1ukc n GLY 44 Ca 0.01 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1ukc n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 45 N -2.02 1.20 -0.13 1.61 1.01 -1.25 -1.27 120.40 119.56 1ukc s VAL 45 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1ukc s VAL 45 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1ukc s VAL 45 CO 0.00 0.36 0.19 -1.81 0.00 0.00 0.00 175.10 173.84 1ukc s ASP 46 N 0.26 6.41 -0.06 3.32 1.01 0.64 -1.23 116.67 127.01 1ukc s ASP 46 Ca -0.07 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.68 1ukc s ASP 46 Cb -0.12 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1ukc s ASP 46 CO 0.02 0.30 -0.06 -1.61 0.21 0.00 0.00 175.17 174.04 1ukc s GLU 47 N -0.51 2.77 -0.26 8.23 2.02 0.73 -1.74 118.70 129.94 1ukc s GLU 47 Ca 0.15 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.60 1ukc s GLU 47 Cb -0.13 -2.62 0.07 0.00 0.10 0.00 0.00 34.13 31.56 1ukc s GLU 47 CO 0.04 0.67 0.02 -0.06 0.02 0.00 0.00 175.26 175.94 1ukc s PHE 48 N -0.84 2.08 -0.02 1.61 0.08 0.18 -1.03 117.98 120.04 1ukc s PHE 48 Ca 0.13 -1.70 0.05 0.00 0.12 0.00 0.00 56.93 55.53 1ukc s PHE 48 Cb -0.11 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1ukc s PHE 48 CO 0.02 -0.79 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.68 1ukc s LEU 49 N 1.50 2.65 -0.72 -0.37 1.43 -0.36 -0.94 118.68 121.87 1ukc s LEU 49 Ca 0.01 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ukc s LEU 49 Cb -0.18 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1ukc s LEU 49 CO -0.12 0.32 0.17 0.61 0.23 0.00 0.00 176.35 177.56 1ukc n GLY 50 N 2.09 0.09 3.79 -3.19 0.00 -1.22 -4.00 105.19 102.75 1ukc n GLY 50 Ca -0.17 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1ukc n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ukc s MET 51 N -4.82 4.27 -0.17 1.61 -1.94 -0.73 -4.74 119.30 112.78 1ukc s MET 51 Ca 0.08 1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 55.22 1ukc s MET 51 Cb -0.04 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1ukc s MET 51 CO 0.10 -0.02 0.58 1.03 -0.01 0.00 0.00 175.02 176.70 1ukc s ARG 52 N -2.60 4.25 0.00 2.03 0.52 -1.26 -0.13 118.95 121.76 1ukc s ARG 52 Ca 0.57 0.55 0.19 0.00 -0.52 0.00 0.00 55.73 56.53 1ukc s ARG 52 Cb -0.17 -3.53 -0.13 0.00 0.52 0.00 0.00 34.95 31.63 1ukc s ARG 52 CO 0.22 -0.11 0.88 2.48 0.02 0.00 0.00 175.30 178.79 1ukc n TYR 53 N 4.59 0.00 -3.88 -0.53 0.18 -1.09 -4.84 117.16 111.59 1ukc n TYR 53 Ca -0.03 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.65 1ukc n TYR 53 Cb 0.50 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.41 1ukc n TYR 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ukc s ALA 54 N -2.58 -0.40 0.49 -3.48 0.00 -1.26 -4.27 121.76 110.28 1ukc s ALA 54 Ca 0.11 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1ukc s ALA 54 Cb 0.15 0.89 -0.07 0.00 0.00 0.00 0.00 23.12 24.09 1ukc s ALA 54 CO 0.67 -0.74 1.13 -1.12 0.00 0.00 0.00 175.76 175.70 1ukc s SER 55 N -2.94 6.04 -0.01 0.00 0.01 0.60 -4.43 113.70 112.97 1ukc s SER 55 Ca 0.15 2.19 -0.35 0.00 1.31 0.00 0.00 55.95 59.25 1ukc s SER 55 Cb 0.01 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 1ukc s SER 55 CO 0.00 -1.00 1.70 -2.65 0.41 0.00 0.00 173.24 171.70 1ukc n PRO 56 N -0.85 1.91 -1.67 12.44 -0.02 -1.26 -4.62 135.00 140.92 1ukc n PRO 56 Ca 0.09 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 1ukc n PRO 56 Cb 0.50 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1ukc n PRO 56 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ukc n PRO 57 N 4.89 4.16 -4.37 0.52 -0.04 -1.26 -4.87 135.00 134.03 1ukc n PRO 57 Ca 0.21 -2.87 -0.24 0.00 -0.04 0.00 0.00 63.50 60.56 1ukc n PRO 57 Cb 0.26 -2.72 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 1ukc n PRO 57 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ukc s ILE 58 N 0.46 2.94 0.00 0.52 -4.36 -1.26 -3.57 121.20 115.93 1ukc s ILE 58 Ca 0.61 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1ukc s ILE 58 Cb 0.18 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.26 1ukc s ILE 58 CO -0.08 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1ukc n GLY 59 N -0.80 3.92 0.31 6.27 0.00 -1.26 -1.62 105.19 112.00 1ukc n GLY 59 Ca -0.05 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1ukc n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ukc h ASP 60 N 0.00 0.00 0.44 1.61 1.82 -1.95 -2.69 116.42 115.64 1ukc h ASP 60 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ukc h ASP 60 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ukc h ASP 60 CO 0.00 0.02 -0.10 0.18 -1.61 0.00 0.00 179.24 177.74 1ukc n LEU 61 N -3.40 0.34 -4.77 2.28 4.32 -0.64 -4.77 117.00 110.36 1ukc n LEU 61 Ca -0.02 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.65 1ukc n LEU 61 Cb 0.13 -0.22 -0.01 0.00 -1.62 0.00 0.00 43.42 41.70 1ukc n LEU 61 CO 0.25 0.07 1.15 -0.13 -1.22 0.00 0.00 177.39 177.50 1ukc s ARG 62 N -2.54 4.15 -2.02 3.23 0.52 -1.02 -2.60 118.95 118.68 1ukc s ARG 62 Ca 0.28 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.01 1ukc s ARG 62 Cb 0.20 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1ukc s ARG 62 CO 0.48 -0.52 0.00 1.19 0.02 0.00 0.00 175.30 176.47 1ukc n PHE 63 N 1.06 -0.06 -4.37 -0.53 3.72 -1.26 -4.99 117.46 111.03 1ukc n PHE 63 Ca 0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.18 1ukc n PHE 63 Cb 0.39 -3.28 -0.10 0.00 -0.94 0.00 0.00 39.48 35.55 1ukc n PHE 63 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ukc s ARG 64 N -3.72 1.88 0.50 -1.08 0.52 -1.07 -1.43 118.95 114.55 1ukc s ARG 64 Ca 0.00 -1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 53.53 1ukc s ARG 64 Cb 0.00 -1.99 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 1ukc s ARG 64 CO 0.00 0.39 0.55 0.00 0.02 0.00 0.00 175.30 176.26 1ukc n ALA 65 N -0.25 -1.20 -1.77 2.13 0.00 -1.26 -4.83 120.51 113.32 1ukc n ALA 65 Ca -0.09 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1ukc n ALA 65 Cb 0.57 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 1ukc n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ukc s PRO 66 N -1.87 3.99 0.25 0.00 0.04 -1.26 -5.04 135.00 131.12 1ukc s PRO 66 Ca 0.66 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.77 1ukc s PRO 66 Cb -0.51 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1ukc s PRO 66 CO 0.56 -0.42 0.12 -0.65 0.04 0.00 0.00 177.00 176.65 1ukc s GLN 67 N -2.28 2.68 0.37 4.56 -0.21 -1.26 -4.98 119.66 118.54 1ukc s GLN 67 Ca 0.57 -1.18 -0.24 0.00 0.02 0.00 0.00 55.36 54.53 1ukc s GLN 67 Cb -0.34 -2.41 -0.14 0.00 1.00 0.00 0.00 33.01 31.12 1ukc s GLN 67 CO 0.43 0.39 0.58 -0.25 -2.12 0.00 0.00 175.29 174.33 1ukc n ASP 68 N -1.03 -0.72 -4.78 5.90 8.00 -1.26 -0.29 116.55 122.36 1ukc n ASP 68 Ca -0.07 0.98 -0.35 0.00 0.71 0.00 0.00 54.79 56.06 1ukc n ASP 68 Cb 0.58 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1ukc n ASP 68 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ukc s PRO 69 N -1.45 3.37 0.32 -0.24 0.04 -1.26 -3.03 135.00 132.76 1ukc s PRO 69 Ca 0.62 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 1ukc s PRO 69 Cb -0.67 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1ukc s PRO 69 CO 0.58 -0.82 1.09 -1.25 0.04 0.00 0.00 177.00 176.64 1ukc s PRO 70 N -3.36 4.47 0.52 0.56 0.04 -1.26 -4.86 135.00 131.11 1ukc s PRO 70 Ca 0.71 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1ukc s PRO 70 Cb -0.22 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 1ukc s PRO 70 CO 0.27 0.09 1.21 0.00 0.04 0.00 0.00 177.00 178.60 1ukc s ALA 71 N -1.32 2.80 -0.15 8.56 0.00 -1.26 -4.90 121.76 125.49 1ukc s ALA 71 Ca 0.49 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 1ukc s ALA 71 Cb -0.29 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.45 1ukc s ALA 71 CO 0.37 -0.93 0.37 1.21 0.00 0.00 0.00 175.76 176.78 1ukc s ASN 72 N -1.41 -0.43 -0.08 0.00 3.84 -0.34 -5.05 114.94 111.48 1ukc s ASN 72 Ca 0.70 0.78 0.05 0.00 0.21 0.00 0.00 52.86 54.60 1ukc s ASN 72 Cb -0.30 0.71 -0.24 0.00 -0.55 0.00 0.00 41.25 40.86 1ukc s ASN 72 CO 0.35 -0.16 0.52 0.00 -2.79 0.00 0.00 177.10 175.02 1ukc n GLN 73 N 3.74 0.69 -2.33 0.43 3.00 -1.26 -4.31 117.38 117.33 1ukc n GLN 73 Ca -0.20 0.28 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 1ukc n GLN 73 Cb 0.56 -1.75 -0.01 0.00 0.00 0.00 0.00 30.24 29.04 1ukc n GLN 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ukc s THR 74 N -2.58 3.34 0.07 5.09 2.01 -1.26 -4.92 115.64 117.39 1ukc s THR 74 Ca -0.12 0.83 -0.31 0.00 0.31 0.00 0.00 61.69 62.40 1ukc s THR 74 Cb 0.07 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 1ukc s THR 74 CO 0.80 -0.19 1.68 -0.22 -0.69 0.00 0.00 174.62 176.00 1ukc s LEU 75 N -3.73 4.37 -0.16 4.42 2.96 -1.26 -4.54 118.68 120.74 1ukc s LEU 75 Ca 0.71 2.50 -0.09 0.00 -0.22 0.00 0.00 54.13 57.03 1ukc s LEU 75 Cb -0.22 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1ukc s LEU 75 CO 0.25 -0.90 0.15 -1.10 -1.32 0.00 0.00 176.35 173.42 1ukc s GLN 76 N 2.78 3.83 0.06 1.98 -0.21 -0.03 -4.97 119.66 123.10 1ukc s GLN 76 Ca 0.75 -0.15 -0.31 0.00 0.02 0.00 0.00 55.36 55.67 1ukc s GLN 76 Cb -0.40 -3.31 -0.06 0.00 1.00 0.00 0.00 33.01 30.24 1ukc s GLN 76 CO 0.33 0.53 1.27 0.45 -2.12 0.00 0.00 175.29 175.76 1ukc s SER 77 N -0.33 6.98 -0.40 5.90 0.15 -1.26 -1.25 113.70 123.48 1ukc s SER 77 Ca 0.12 2.09 0.10 0.00 0.70 0.00 0.00 55.95 58.96 1ukc s SER 77 Cb -0.12 -2.58 0.43 0.00 -1.71 0.00 0.00 66.02 62.04 1ukc s SER 77 CO 0.01 -0.56 1.03 0.00 1.20 0.00 0.00 173.24 174.92 1ukc n ALA 78 N 4.22 4.34 0.52 5.45 0.00 0.21 -4.80 120.51 130.45 1ukc n ALA 78 Ca 0.10 -3.89 0.05 0.00 0.00 0.00 0.00 53.44 49.71 1ukc n ALA 78 Cb 0.45 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1ukc n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukc n THR 79 N -0.29 0.00 -4.16 0.00 -2.24 -1.25 -1.22 114.28 105.12 1ukc n THR 79 Ca 0.27 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 1ukc n THR 79 Cb 0.70 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.86 1ukc n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ukc s GLU 80 N -1.82 0.60 0.32 -0.78 0.41 -1.26 -4.91 118.70 111.26 1ukc s GLU 80 Ca 0.06 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.74 1ukc s GLU 80 Cb 0.09 -0.49 -0.10 0.00 -1.78 0.00 0.00 34.13 31.85 1ukc s GLU 80 CO 0.39 0.11 1.39 0.71 -0.49 0.00 0.00 175.26 177.37 1ukc s TYR 81 N -0.88 2.92 0.90 1.61 1.51 -1.26 -3.50 117.35 118.64 1ukc s TYR 81 Ca -0.04 1.26 -0.12 0.00 -1.01 0.00 0.00 57.07 57.16 1ukc s TYR 81 Cb -0.07 -3.80 0.13 0.00 -0.11 0.00 0.00 41.96 38.11 1ukc s TYR 81 CO 0.00 -2.35 1.14 0.20 -1.11 0.00 0.00 175.55 173.44 1ukc s GLY 82 N -0.20 1.58 0.64 0.71 0.00 -1.26 -4.89 107.32 103.89 1ukc s GLY 82 Ca 0.52 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 1ukc s GLY 82 CO 0.53 0.01 1.19 2.56 0.00 0.00 0.00 173.10 177.39 1ukc s PRO 83 N -5.32 2.74 0.59 2.90 0.04 -1.20 -4.90 135.00 129.86 1ukc s PRO 83 Ca 0.64 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 1ukc s PRO 83 Cb -0.14 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1ukc s PRO 83 CO 0.53 -1.37 0.95 0.96 0.04 0.00 0.00 177.00 178.11 1ukc s ILE 84 N -1.81 4.26 0.11 0.56 -4.36 -0.07 -4.53 121.20 115.36 1ukc s ILE 84 Ca 0.75 0.41 -0.31 0.00 -0.26 0.00 0.00 60.65 61.23 1ukc s ILE 84 Cb -0.28 -3.69 -0.09 0.00 1.25 0.00 0.00 42.46 39.65 1ukc s ILE 84 CO 0.37 -0.80 1.53 0.00 0.24 0.00 0.00 174.94 176.28 1ukc s ILE 86 N 1.59 3.06 0.00 0.00 2.07 -0.66 -4.35 121.20 122.91 1ukc s ILE 86 Ca 0.69 0.67 0.00 0.00 -1.41 0.00 0.00 60.65 60.60 1ukc s ILE 86 Cb -0.40 -3.43 0.00 0.00 0.13 0.00 0.00 42.46 38.76 1ukc s ILE 86 CO 0.31 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 1ukc n GLY 87 N 3.74 4.26 3.65 1.50 0.00 -1.26 -4.61 105.19 112.47 1ukc n GLY 87 Ca 0.14 -2.17 -0.47 0.00 0.00 0.00 0.00 46.02 43.52 1ukc n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ukc n LEU 88 N 0.00 2.73 -0.55 0.99 7.94 -0.24 -1.76 117.00 126.11 1ukc n LEU 88 Ca 0.00 1.11 -0.07 0.00 -1.11 0.00 0.00 56.01 55.94 1ukc n LEU 88 Cb 0.00 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 42.55 1ukc n LEU 88 CO 0.00 -0.55 -0.07 0.47 -1.11 0.00 0.00 177.39 176.13 1ukc n ASP 89 N 2.82 -5.63 -4.96 1.96 8.00 0.26 -4.96 116.55 114.04 1ukc n ASP 89 Ca 0.16 0.18 -0.22 0.00 0.71 0.00 0.00 54.79 55.61 1ukc n ASP 89 Cb 0.27 -3.76 0.01 0.00 -0.02 0.00 0.00 41.12 37.62 1ukc n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ukc s GLU 90 N -2.52 3.07 0.14 -1.24 2.02 -0.72 -5.11 118.70 114.34 1ukc s GLU 90 Ca 0.00 -0.57 0.10 0.00 0.02 0.00 0.00 54.97 54.51 1ukc s GLU 90 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1ukc s GLU 90 CO 0.00 -0.23 -0.22 -1.83 0.02 0.00 0.00 175.26 173.00 1ukc s GLU 91 N -4.50 1.30 0.48 1.61 -1.05 -1.26 -4.89 118.70 110.40 1ukc s GLU 91 Ca 0.48 -1.35 -0.24 0.00 -0.15 0.00 0.00 54.97 53.71 1ukc s GLU 91 Cb -0.10 -1.57 -0.07 0.00 -0.44 0.00 0.00 34.13 31.95 1ukc s GLU 91 CO 0.37 0.35 1.40 -2.00 0.95 0.00 0.00 175.26 176.32 1ukc s GLU 92 N -2.35 3.49 -0.21 -4.83 2.12 -1.26 -4.84 118.70 110.83 1ukc s GLU 92 Ca 0.14 2.34 -0.04 0.00 0.36 0.00 0.00 54.97 57.77 1ukc s GLU 92 Cb -0.08 -2.51 0.11 0.00 0.26 0.00 0.00 34.13 31.90 1ukc s GLU 92 CO 0.06 -0.94 0.32 0.45 -0.54 0.00 0.00 175.26 174.61 1ukc s SER 93 N -0.68 0.55 -0.07 -1.70 0.15 -0.04 -4.96 113.70 106.94 1ukc s SER 93 Ca 0.65 0.22 -0.36 0.00 0.70 0.00 0.00 55.95 57.15 1ukc s SER 93 Cb -0.42 0.86 -0.14 0.00 -1.71 0.00 0.00 66.02 64.61 1ukc s SER 93 CO 0.53 -0.29 1.72 -2.65 1.20 0.00 0.00 173.24 173.74 1ukc n PRO 94 N 5.35 1.75 0.00 5.44 -0.02 -1.26 -0.20 135.00 146.06 1ukc n PRO 94 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1ukc n PRO 94 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1ukc n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukc n GLY 95 N 3.92 2.95 0.47 -1.23 0.00 -1.26 -4.79 105.19 105.25 1ukc n GLY 95 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ukc n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ukc n ASP 96 N 0.00 1.39 -3.81 1.61 9.92 0.73 -3.22 116.55 123.17 1ukc n ASP 96 Ca 0.00 0.23 -0.21 0.00 -0.53 0.00 0.00 54.79 54.28 1ukc n ASP 96 Cb 0.00 -0.54 -0.17 0.00 -0.64 0.00 0.00 41.12 39.77 1ukc n ASP 96 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ukc s ILE 97 N -2.42 0.35 0.19 0.53 1.01 -0.14 -0.90 121.20 119.83 1ukc s ILE 97 Ca -0.21 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 1ukc s ILE 97 Cb 0.06 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 42.11 1ukc s ILE 97 CO 0.28 0.22 0.58 -0.55 0.00 0.00 0.00 174.94 175.47 1ukc s SER 98 N 1.48 -0.36 0.19 3.58 0.15 -0.47 -0.86 113.70 117.41 1ukc s SER 98 Ca -0.03 -0.33 -0.08 0.00 0.70 0.00 0.00 55.95 56.22 1ukc s SER 98 Cb -0.13 0.61 0.11 0.00 -1.71 0.00 0.00 66.02 64.90 1ukc s SER 98 CO -0.03 -1.07 1.64 -0.33 1.20 0.00 0.00 173.24 174.66 1ukc h GLU 99 N 2.11 1.00 -5.80 5.44 5.08 -1.93 -1.76 114.58 118.71 1ukc h GLU 99 Ca -0.29 -0.33 -0.62 0.00 -1.00 0.00 0.00 59.36 57.11 1ukc h GLU 99 Cb 1.28 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1ukc h GLU 99 CO 0.36 1.01 1.23 0.34 -1.00 0.00 0.00 179.01 180.95 1ukc s ASP 100 N -6.63 6.49 0.00 1.42 2.15 -1.26 -4.54 116.67 114.30 1ukc s ASP 100 Ca -0.11 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.37 1ukc s ASP 100 Cb 0.14 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1ukc s ASP 100 CO 0.85 -1.41 0.10 0.00 -0.17 0.00 0.00 175.17 174.54 1ukc n LEU 102 N -0.00 5.63 -4.49 0.00 4.77 -1.26 -4.54 117.00 117.11 1ukc n LEU 102 Ca 0.00 -4.04 -0.30 0.00 -0.03 0.00 0.00 56.01 51.64 1ukc n LEU 102 Cb 0.28 -1.71 -0.12 0.00 -2.33 0.00 0.00 43.42 39.55 1ukc n LEU 102 CO 0.00 0.53 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.75 1ukc s PHE 103 N 3.64 2.59 0.07 -1.77 0.08 -1.26 -2.68 117.98 118.66 1ukc s PHE 103 Ca 0.51 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.40 1ukc s PHE 103 Cb 0.07 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 1ukc s PHE 103 CO 0.02 0.34 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.77 1ukc s ILE 104 N -1.06 1.67 -0.01 0.64 2.07 0.81 -1.55 121.20 123.78 1ukc s ILE 104 Ca 0.17 -1.37 0.04 0.00 -1.41 0.00 0.00 60.65 58.07 1ukc s ILE 104 Cb -0.11 -1.49 -0.01 0.00 0.13 0.00 0.00 42.46 40.98 1ukc s ILE 104 CO 0.09 0.06 -0.12 0.20 -1.91 0.00 0.00 174.94 173.26 1ukc s ASN 105 N -1.56 1.39 -0.06 4.50 -0.87 0.50 -1.76 114.94 117.07 1ukc s ASN 105 Ca 0.07 -0.21 0.03 0.00 -1.57 0.00 0.00 52.86 51.17 1ukc s ASN 105 Cb -0.09 -0.15 0.01 0.00 -0.02 0.00 0.00 41.25 40.99 1ukc s ASN 105 CO 0.03 0.14 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.88 1ukc s VAL 106 N -0.28 1.22 -0.13 1.60 1.01 -0.12 -1.37 120.40 122.32 1ukc s VAL 106 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ukc s VAL 106 Cb -0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1ukc s VAL 106 CO -0.00 0.37 -0.07 -0.36 0.00 0.00 0.00 175.10 175.04 1ukc s PHE 107 N 0.49 2.96 0.05 5.22 0.40 0.35 -0.64 117.98 126.80 1ukc s PHE 107 Ca -0.12 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1ukc s PHE 107 Cb -0.15 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1ukc s PHE 107 CO 0.04 -0.01 0.02 -1.59 0.70 0.00 0.00 175.22 174.38 1ukc s LYS 108 N 0.14 0.61 0.28 0.44 0.00 -0.71 -1.01 119.74 119.49 1ukc s LYS 108 Ca -0.03 -1.05 -0.30 0.00 0.00 0.00 0.00 55.97 54.59 1ukc s LYS 108 Cb -0.14 0.22 -0.11 0.00 0.00 0.00 0.00 37.83 37.81 1ukc s LYS 108 CO 0.03 -0.13 1.52 -2.14 0.00 0.00 0.00 175.35 174.63 1ukc s PRO 109 N -3.48 4.18 0.27 1.78 0.02 -1.26 -0.26 135.00 136.24 1ukc s PRO 109 Ca 0.03 2.47 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 1ukc s PRO 109 Cb 0.04 -3.05 0.55 0.00 0.02 0.00 0.00 34.50 32.06 1ukc s PRO 109 CO -0.08 -0.54 1.77 0.77 -0.33 0.00 0.00 177.00 178.59 1ukc h SER 110 N 4.80 0.61 0.90 2.53 0.02 -1.48 -2.00 113.55 118.93 1ukc h SER 110 Ca -0.47 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1ukc h SER 110 Cb 1.22 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ukc h SER 110 CO 0.78 0.27 0.00 0.35 -1.14 0.00 0.00 176.83 177.08 1ukc n THR 111 N -4.82 0.48 -2.16 -2.27 -2.24 -1.26 -4.84 114.28 97.16 1ukc n THR 111 Ca 0.18 0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.61 1ukc n THR 111 Cb 0.43 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1ukc n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc s ALA 112 N -3.05 3.28 0.44 6.98 0.00 -0.75 -5.05 121.76 123.61 1ukc s ALA 112 Ca 0.10 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1ukc s ALA 112 Cb 0.14 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ukc s ALA 112 CO 0.45 -0.66 0.05 0.95 0.00 0.00 0.00 175.76 176.55 1ukc s THR 113 N -1.27 1.14 -1.32 0.00 -4.23 -1.26 -4.81 115.64 103.87 1ukc s THR 113 Ca 0.55 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1ukc s THR 113 Cb -0.36 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ukc s THR 113 CO 0.46 0.00 0.84 -1.54 -0.54 0.00 0.00 174.62 173.84 1ukc n SER 114 N -1.16 0.00 0.01 3.99 3.41 -1.26 -0.64 113.62 117.97 1ukc n SER 114 Ca -0.11 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 58.94 1ukc n SER 114 Cb 0.66 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1ukc n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukc n GLN 115 N -1.34 0.11 0.08 4.33 6.02 -1.26 -4.53 117.38 120.79 1ukc n GLN 115 Ca 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1ukc n GLN 115 Cb 0.00 -1.52 0.38 0.00 1.02 0.00 0.00 30.24 30.12 1ukc n GLN 115 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1ukc h SER 116 N 0.00 0.31 -6.59 1.08 0.02 -1.10 -3.47 113.55 103.80 1ukc h SER 116 Ca 0.00 -0.05 -0.52 0.00 -0.84 0.00 0.00 61.79 60.38 1ukc h SER 116 Cb 0.59 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 63.07 1ukc h SER 116 CO 0.00 0.40 -0.98 0.29 -1.14 0.00 0.00 176.83 175.41 1ukc n LYS 117 N -4.32 -0.81 -3.22 3.45 5.02 -1.04 -4.95 118.16 112.28 1ukc n LYS 117 Ca 0.00 0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 1ukc n LYS 117 Cb 0.22 -3.36 -0.06 0.00 -0.02 0.00 0.00 35.03 31.81 1ukc n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ukc s LEU 118 N -6.98 4.19 0.27 -0.35 1.43 0.10 -4.39 118.68 112.94 1ukc s LEU 118 Ca 0.46 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 1ukc s LEU 118 Cb -0.21 -3.77 -0.13 0.00 0.03 0.00 0.00 46.19 42.11 1ukc s LEU 118 CO 0.92 -0.08 1.27 -2.65 0.23 0.00 0.00 176.35 176.04 1ukc n PRO 119 N 0.09 1.82 -4.29 1.29 -0.02 -1.26 -0.32 135.00 132.31 1ukc n PRO 119 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 1ukc n PRO 119 Cb 0.52 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 1ukc n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ukc s VAL 120 N -0.54 4.27 -0.36 -1.45 1.01 -0.25 -1.58 120.40 121.50 1ukc s VAL 120 Ca 0.64 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1ukc s VAL 120 Cb -0.66 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1ukc s VAL 120 CO 0.55 0.52 0.13 0.86 0.00 0.00 0.00 175.10 177.17 1ukc s TRP 121 N -0.07 3.35 -0.30 5.22 -0.11 0.69 -1.12 118.94 126.59 1ukc s TRP 121 Ca 0.04 -1.78 -0.08 0.00 1.22 0.00 0.00 56.10 55.50 1ukc s TRP 121 Cb -0.13 -2.58 0.00 0.00 -1.50 0.00 0.00 33.47 29.26 1ukc s TRP 121 CO 0.02 -0.83 0.11 -1.17 -4.62 0.00 0.00 176.95 170.46 1ukc s LEU 122 N 1.31 3.97 -0.24 5.86 2.96 0.00 -0.56 118.68 131.98 1ukc s LEU 122 Ca 0.01 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 1ukc s LEU 122 Cb -0.21 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1ukc s LEU 122 CO 0.00 -0.20 0.14 0.12 -1.32 0.00 0.00 176.35 175.09 1ukc s PHE 123 N 1.54 3.25 -0.34 5.38 5.36 0.24 -0.38 117.98 133.03 1ukc s PHE 123 Ca 0.03 0.09 -0.07 0.00 -0.96 0.00 0.00 56.93 56.02 1ukc s PHE 123 Cb -0.17 -2.27 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1ukc s PHE 123 CO 0.04 -0.03 0.12 0.42 -1.46 0.00 0.00 175.22 174.31 1ukc s ILE 124 N 1.21 3.96 0.86 3.12 1.01 0.96 -4.11 121.20 128.19 1ukc s ILE 124 Ca 0.07 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1ukc s ILE 124 Cb -0.14 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.22 1ukc s ILE 124 CO 0.05 -0.17 1.09 0.00 0.00 0.00 0.00 174.94 175.92 1ukc s GLN 125 N 1.44 1.56 0.00 2.79 -2.07 -1.26 -1.98 119.66 120.14 1ukc s GLN 125 Ca -0.01 0.92 0.00 0.00 -1.82 0.00 0.00 55.36 54.45 1ukc s GLN 125 Cb -0.19 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 29.89 1ukc s GLN 125 CO 0.04 -2.06 0.00 0.41 -1.32 0.00 0.00 175.29 172.35 1ukc n GLY 126 N -1.16 2.19 0.00 2.60 0.00 -1.16 -3.08 105.19 104.57 1ukc n GLY 126 Ca 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1ukc n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 127 N 5.00 1.69 2.46 -0.02 0.00 -1.26 -1.29 105.19 111.77 1ukc n GLY 127 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ukc n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 128 N 0.00 0.58 2.93 -0.02 0.00 -1.26 -0.78 105.19 106.64 1ukc n GLY 128 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ukc n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ukc n TYR 129 N -2.54 0.00 -0.08 1.61 4.01 -1.26 -4.84 117.16 114.06 1ukc n TYR 129 Ca -0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 1ukc n TYR 129 Cb 0.30 -1.10 -0.12 0.00 -0.31 0.00 0.00 39.34 38.11 1ukc n TYR 129 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ukc n ALA 130 N 1.00 1.61 -2.18 -0.72 0.00 -0.15 -0.45 120.51 119.62 1ukc n ALA 130 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 1ukc n ALA 130 Cb 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 1ukc n ALA 130 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ukc s GLU 131 N -2.38 1.12 -0.59 0.00 0.41 0.04 -1.07 118.70 116.21 1ukc s GLU 131 Ca -0.12 -1.57 -0.19 0.00 -0.41 0.00 0.00 54.97 52.68 1ukc s GLU 131 Cb 0.05 0.26 0.11 0.00 -1.78 0.00 0.00 34.13 32.77 1ukc s GLU 131 CO 0.59 -0.35 0.69 -0.80 -0.49 0.00 0.00 175.26 174.91 1ukc s ASN 132 N -3.13 6.19 0.00 -0.19 0.01 -1.26 -4.06 114.94 112.50 1ukc s ASN 132 Ca 0.35 -1.49 0.12 0.00 -0.71 0.00 0.00 52.86 51.13 1ukc s ASN 132 Cb 0.07 -2.29 0.20 0.00 0.41 0.00 0.00 41.25 39.64 1ukc s ASN 132 CO 0.09 -1.09 1.06 -1.20 -1.51 0.00 0.00 177.10 174.45 1ukc n SER 133 N 6.22 2.47 -2.64 -1.22 7.64 -0.41 -4.52 113.62 121.16 1ukc n SER 133 Ca -0.09 -1.73 -0.10 0.00 1.01 0.00 0.00 58.87 57.96 1ukc n SER 133 Cb 0.42 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1ukc n SER 133 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ukc n ASN 134 N 0.67 2.14 -4.90 6.43 4.13 -1.26 -4.87 115.26 117.60 1ukc n ASN 134 Ca 0.10 -2.70 -0.29 0.00 1.68 0.00 0.00 54.58 53.37 1ukc n ASN 134 Cb 0.37 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.09 1ukc n ASN 134 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ukc s ALA 135 N -3.41 3.49 -1.45 5.41 0.00 -1.26 -4.39 121.76 120.15 1ukc s ALA 135 Ca 0.31 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1ukc s ALA 135 Cb 0.41 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 21.09 1ukc s ALA 135 CO -0.01 0.02 0.97 0.09 0.00 0.00 0.00 175.76 176.83 1ukc n ASN 136 N -1.39 -5.65 -4.78 0.00 3.02 -1.26 -4.95 115.26 100.25 1ukc n ASN 136 Ca -0.00 -0.57 -0.37 0.00 -0.03 0.00 0.00 54.58 53.61 1ukc n ASN 136 Cb 0.54 -4.50 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 1ukc n ASN 136 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ukc s TYR 137 N -3.26 3.34 -0.23 3.10 1.51 -1.26 -4.97 117.35 115.59 1ukc s TYR 137 Ca 0.56 1.66 -0.20 0.00 -1.01 0.00 0.00 57.07 58.08 1ukc s TYR 137 Cb -0.26 -3.15 -0.03 0.00 -0.11 0.00 0.00 41.96 38.41 1ukc s TYR 137 CO 0.69 -0.58 0.58 1.21 -1.11 0.00 0.00 175.55 176.33 1ukc s ASN 138 N -1.43 6.58 0.00 2.29 3.84 -0.57 -4.94 114.94 120.70 1ukc s ASN 138 Ca 0.55 0.70 0.25 0.00 0.21 0.00 0.00 52.86 54.57 1ukc s ASN 138 Cb -0.24 -2.32 0.90 0.00 -0.55 0.00 0.00 41.25 39.04 1ukc s ASN 138 CO 0.30 -0.28 1.65 0.61 -2.79 0.00 0.00 177.10 176.59 1ukc n GLY 139 N 4.03 0.17 0.09 1.21 0.00 -1.26 -4.50 105.19 104.93 1ukc n GLY 139 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1ukc n GLY 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ukc h THR 140 N 2.36 1.04 -0.49 2.61 2.02 -1.92 -2.14 112.91 116.38 1ukc h THR 140 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ukc h THR 140 Cb 0.51 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1ukc h THR 140 CO 0.00 0.03 0.24 1.56 0.37 0.00 0.00 175.52 177.73 1ukc h GLN 141 N 0.19 0.70 -0.26 6.66 4.20 -1.82 -1.24 115.11 123.54 1ukc h GLN 141 Ca 0.05 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1ukc h GLN 141 Cb -0.02 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1ukc h GLN 141 CO -0.01 0.58 -0.21 -0.39 -0.67 0.00 0.00 178.83 178.13 1ukc h VAL 142 N 0.65 1.25 -0.14 -0.54 -1.51 -1.74 0.99 116.25 115.22 1ukc h VAL 142 Ca 0.17 -1.18 -0.02 0.00 -1.23 0.00 0.00 66.70 64.44 1ukc h VAL 142 Cb 0.10 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 1ukc h VAL 142 CO -0.02 0.38 0.00 0.40 -1.23 0.00 0.00 177.57 177.10 1ukc h ILE 143 N 0.44 1.25 -0.69 7.19 2.04 -1.09 -1.53 117.51 125.12 1ukc h ILE 143 Ca 0.07 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1ukc h ILE 143 Cb 0.61 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1ukc h ILE 143 CO 0.04 0.24 0.42 1.56 0.00 0.00 0.00 178.15 180.41 1ukc h GLN 144 N -0.01 0.78 0.00 2.37 4.20 -1.03 -0.75 115.11 120.67 1ukc h GLN 144 Ca 0.04 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1ukc h GLN 144 Cb 0.36 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1ukc h GLN 144 CO 0.01 0.52 -0.18 0.00 -0.67 0.00 0.00 178.83 178.50 1ukc h ALA 145 N 1.31 1.33 0.00 3.87 0.00 -0.65 -1.65 119.26 123.47 1ukc h ALA 145 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ukc h ALA 145 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ukc h ALA 145 CO -0.13 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1ukc n SER 146 N -3.79 0.00 -2.90 0.00 3.41 -0.59 -4.89 113.62 104.86 1ukc n SER 146 Ca -0.02 -0.72 -0.18 0.00 -0.26 0.00 0.00 58.87 57.69 1ukc n SER 146 Cb 0.29 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1ukc n SER 146 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ukc n ASP 147 N -1.07 -5.29 -2.90 4.04 8.00 -0.62 -4.08 116.55 114.64 1ukc n ASP 147 Ca 0.20 -0.42 -0.18 0.00 0.71 0.00 0.00 54.79 55.09 1ukc n ASP 147 Cb 0.13 -4.02 0.06 0.00 -0.02 0.00 0.00 41.12 37.27 1ukc n ASP 147 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ukc n ASP 148 N -2.03 -5.32 -0.99 -2.24 9.92 -0.33 -4.94 116.55 110.62 1ukc n ASP 148 Ca -0.00 -0.42 0.05 0.00 -0.53 0.00 0.00 54.79 53.89 1ukc n ASP 148 Cb 0.55 -4.01 0.10 0.00 -0.64 0.00 0.00 41.12 37.11 1ukc n ASP 148 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ukc n VAL 149 N -4.42 0.93 -4.12 2.53 0.24 -1.26 -4.79 118.33 107.43 1ukc n VAL 149 Ca 0.00 -1.82 -0.08 0.00 -2.04 0.00 0.00 64.34 60.40 1ukc n VAL 149 Cb 0.55 0.42 -0.10 0.00 -1.47 0.00 0.00 33.84 33.24 1ukc n VAL 149 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ukc s ILE 150 N -1.37 0.35 -0.07 1.34 -4.36 -1.26 -4.06 121.20 111.77 1ukc s ILE 150 Ca 0.32 -1.86 0.06 0.00 -0.26 0.00 0.00 60.65 58.91 1ukc s ILE 150 Cb 0.34 -1.64 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 1ukc s ILE 150 CO -0.11 -0.89 -0.25 -0.69 0.24 0.00 0.00 174.94 173.25 1ukc s VAL 151 N -3.85 2.04 -0.11 8.37 1.01 -0.61 -4.28 120.40 122.97 1ukc s VAL 151 Ca 0.11 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1ukc s VAL 151 Cb 0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1ukc s VAL 151 CO -0.07 0.57 -0.18 0.12 0.00 0.00 0.00 175.10 175.53 1ukc s PHE 152 N -0.06 2.69 -0.05 5.22 5.36 -0.18 -0.22 117.98 130.73 1ukc s PHE 152 Ca -0.07 -0.81 0.04 0.00 -0.96 0.00 0.00 56.93 55.13 1ukc s PHE 152 Cb -0.15 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1ukc s PHE 152 CO 0.05 -0.29 -0.16 0.08 -1.46 0.00 0.00 175.22 173.44 1ukc s VAL 153 N 0.30 1.34 0.29 3.12 1.01 0.27 -0.49 120.40 126.24 1ukc s VAL 153 Ca -0.14 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1ukc s VAL 153 Cb -0.17 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1ukc s VAL 153 CO 0.07 0.39 0.01 0.42 0.00 0.00 0.00 175.10 176.00 1ukc s THR 154 N 0.25 1.24 0.11 3.92 -4.23 -0.47 -0.59 115.64 115.86 1ukc s THR 154 Ca -0.08 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.13 1ukc s THR 154 Cb -0.13 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 71.20 1ukc s THR 154 CO 0.03 -0.16 0.99 0.72 -0.54 0.00 0.00 174.62 175.66 1ukc s PHE 155 N -3.27 -0.15 0.12 3.99 -0.71 -1.26 -0.37 117.98 116.32 1ukc s PHE 155 Ca 0.33 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.18 1ukc s PHE 155 Cb 0.07 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1ukc s PHE 155 CO 0.13 -0.72 -0.08 -0.80 -1.34 0.00 0.00 175.22 172.40 1ukc s ASN 156 N -2.88 4.45 0.04 1.98 0.02 -0.59 -4.66 114.94 113.30 1ukc s ASN 156 Ca 0.11 -0.39 -0.01 0.00 -1.02 0.00 0.00 52.86 51.55 1ukc s ASN 156 Cb -0.01 -0.86 -0.03 0.00 0.02 0.00 0.00 41.25 40.37 1ukc s ASN 156 CO 0.00 0.16 -0.03 -0.72 0.02 0.00 0.00 177.10 176.53 1ukc s TYR 157 N -1.32 0.47 0.47 2.20 -0.85 -1.26 -4.41 117.35 112.65 1ukc s TYR 157 Ca 0.23 -0.90 -0.23 0.00 -0.52 0.00 0.00 57.07 55.65 1ukc s TYR 157 Cb -0.11 -0.34 -0.07 0.00 0.38 0.00 0.00 41.96 41.82 1ukc s TYR 157 CO 0.15 -0.31 1.26 1.03 -1.52 0.00 0.00 175.55 176.16 1ukc s ARG 158 N -3.16 3.64 0.32 -3.49 0.52 -1.26 -4.70 118.95 110.81 1ukc s ARG 158 Ca 0.00 2.02 0.06 0.00 -0.52 0.00 0.00 55.73 57.29 1ukc s ARG 158 Cb 0.02 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 1ukc s ARG 158 CO -0.07 -0.72 0.24 0.14 0.02 0.00 0.00 175.30 174.90 1ukc s VAL 159 N -1.39 0.06 0.00 3.52 -7.23 -1.26 -4.20 120.40 109.90 1ukc s VAL 159 Ca 0.64 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1ukc s VAL 159 Cb -0.35 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1ukc s VAL 159 CO 0.43 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1ukc n GLY 160 N -0.59 0.98 0.32 2.32 0.00 0.41 -1.54 105.19 107.09 1ukc n GLY 160 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.51 1ukc n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc h ALA 161 N -0.71 1.70 0.00 4.61 0.00 -1.91 0.12 119.26 123.07 1ukc h ALA 161 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ukc h ALA 161 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ukc h ALA 161 CO 0.00 0.26 -0.28 -0.07 0.00 0.00 0.00 179.25 179.16 1ukc h LEU 162 N 0.64 0.00 0.00 0.00 3.38 -1.87 -1.90 115.31 115.57 1ukc h LEU 162 Ca 0.20 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 1ukc h LEU 162 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1ukc h LEU 162 CO -0.05 0.28 -2.24 0.61 0.09 0.00 0.00 178.44 177.12 1ukc n GLY 163 N 0.13 -1.01 0.62 0.83 0.00 -0.59 -4.38 105.19 100.80 1ukc n GLY 163 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.69 1ukc n GLY 163 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ukc n PHE 164 N -2.64 0.00 -1.68 1.61 3.72 0.33 -1.02 117.46 117.78 1ukc n PHE 164 Ca -0.25 -0.55 -0.45 0.00 -0.05 0.00 0.00 57.45 56.15 1ukc n PHE 164 Cb 1.00 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 39.38 1ukc n PHE 164 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ukc n LEU 165 N -0.40 3.34 -3.83 4.37 7.94 -0.72 -4.42 117.00 123.28 1ukc n LEU 165 Ca 0.08 1.08 -0.21 0.00 -1.11 0.00 0.00 56.01 55.85 1ukc n LEU 165 Cb 0.78 -1.47 -0.17 0.00 0.53 0.00 0.00 43.42 43.10 1ukc n LEU 165 CO -0.01 -0.17 -0.39 0.00 -1.11 0.00 0.00 177.39 175.71 1ukc s ALA 166 N 0.94 0.66 -0.21 1.96 0.00 -1.26 -4.55 121.76 119.30 1ukc s ALA 166 Ca 0.77 -0.07 -0.32 0.00 0.00 0.00 0.00 51.96 52.34 1ukc s ALA 166 Cb -0.63 -0.56 0.15 0.00 0.00 0.00 0.00 23.12 22.08 1ukc s ALA 166 CO 0.37 -0.22 1.21 0.45 0.00 0.00 0.00 175.76 177.56 1ukc s SER 167 N 1.40 -0.16 0.42 0.00 0.15 -1.26 -4.32 113.70 109.93 1ukc s SER 167 Ca -0.04 0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.82 1ukc s SER 167 Cb -0.13 0.14 0.95 0.00 -1.71 0.00 0.00 66.02 65.27 1ukc s SER 167 CO -0.03 -0.20 1.99 -0.08 1.20 0.00 0.00 173.24 176.12 1ukc h GLU 168 N 2.12 0.48 -0.40 5.44 4.57 -1.98 -1.70 114.58 123.12 1ukc h GLU 168 Ca -0.11 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 1ukc h GLU 168 Cb 1.17 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1ukc h GLU 168 CO 0.24 0.32 0.03 0.87 -1.18 0.00 0.00 179.01 179.29 1ukc h LYS 169 N 0.49 0.62 -0.05 1.92 1.57 -1.98 0.12 116.57 119.27 1ukc h LYS 169 Ca 0.27 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1ukc h LYS 169 Cb 0.41 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ukc h LYS 169 CO -0.08 0.62 -0.00 0.28 -0.57 0.00 0.00 179.45 179.70 1ukc h VAL 170 N 0.60 1.27 -0.93 0.50 2.07 -1.63 -2.85 116.25 115.27 1ukc h VAL 170 Ca 0.13 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1ukc h VAL 170 Cb 0.33 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1ukc h VAL 170 CO 0.01 0.22 0.58 -0.09 0.02 0.00 0.00 177.57 178.31 1ukc h ARG 171 N -0.22 0.99 0.00 1.57 2.43 -1.15 -0.85 114.38 117.15 1ukc h ARG 171 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1ukc h ARG 171 Cb 0.35 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ukc h ARG 171 CO 0.00 0.66 0.00 1.96 -1.51 0.00 0.00 179.97 181.08 1ukc h GLN 172 N 1.02 0.00 -0.72 0.20 1.08 -0.99 -3.38 115.11 112.32 1ukc h GLN 172 Ca 0.42 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.28 1ukc h GLN 172 Cb 0.25 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.45 1ukc h GLN 172 CO -0.20 0.00 -0.71 -1.71 -0.95 0.00 0.00 178.83 175.27 1ukc n ASN 173 N -2.80 -1.85 0.00 1.46 5.15 -0.88 -5.09 115.26 111.25 1ukc n ASN 173 Ca 0.02 -3.08 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1ukc n ASN 173 Cb 0.33 0.97 0.00 0.00 -0.53 0.00 0.00 39.78 40.56 1ukc n ASN 173 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ukc n GLY 174 N 1.60 0.48 3.18 8.20 0.00 -0.38 -4.77 105.19 113.51 1ukc n GLY 174 Ca 0.13 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1ukc n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukc s ASP 175 N -4.00 -0.38 0.65 1.61 1.11 -0.52 -4.56 116.67 110.59 1ukc s ASP 175 Ca 0.00 0.70 -0.15 0.00 0.18 0.00 0.00 52.55 53.28 1ukc s ASP 175 Cb 0.00 0.62 -0.00 0.00 1.07 0.00 0.00 42.92 44.61 1ukc s ASP 175 CO 0.00 -0.16 1.09 -0.76 1.18 0.00 0.00 175.17 176.52 1ukc s LEU 176 N 0.95 3.37 -1.59 1.23 1.43 -1.26 -3.83 118.68 118.98 1ukc s LEU 176 Ca -0.06 1.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 1ukc s LEU 176 Cb -0.07 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.72 1ukc s LEU 176 CO -0.07 -1.54 0.93 0.59 0.23 0.00 0.00 176.35 176.49 1ukc n ASN 177 N -2.45 -4.34 -0.34 2.29 3.02 -1.26 -4.84 115.26 107.34 1ukc n ASN 177 Ca 0.10 -0.85 0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1ukc n ASN 177 Cb 0.52 -3.54 0.31 0.00 -0.61 0.00 0.00 39.78 36.47 1ukc n ASN 177 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukc h ALA 178 N 0.95 1.61 -0.33 5.41 0.00 -1.49 -0.43 119.26 124.98 1ukc h ALA 178 Ca -0.58 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1ukc h ALA 178 Cb 1.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1ukc h ALA 178 CO 0.71 -0.09 0.04 0.78 0.00 0.00 0.00 179.25 180.69 1ukc h GLY 179 N 0.71 0.54 1.67 0.00 0.00 -1.24 0.36 103.07 105.11 1ukc h GLY 179 Ca 0.57 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.44 1ukc h GLY 179 CO -0.40 0.27 -0.68 1.41 0.00 0.00 0.00 176.54 177.14 1ukc h LEU 180 N 0.49 0.38 -1.10 3.11 3.38 -1.39 -3.03 115.31 117.15 1ukc h LEU 180 Ca 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ukc h LEU 180 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ukc h LEU 180 CO 0.00 0.95 -0.00 -0.07 0.09 0.00 0.00 178.44 179.41 1ukc h LEU 181 N 0.23 0.60 -0.59 1.67 3.38 -0.37 -1.28 115.31 118.95 1ukc h LEU 181 Ca -0.02 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1ukc h LEU 181 Cb 1.23 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1ukc h LEU 181 CO 0.11 0.67 0.23 0.44 0.09 0.00 0.00 178.44 179.98 1ukc h ASP 182 N 0.60 0.24 -0.65 -0.43 3.32 -0.90 -0.93 116.42 117.66 1ukc h ASP 182 Ca 0.12 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1ukc h ASP 182 Cb 0.38 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1ukc h ASP 182 CO 0.01 0.15 0.16 1.56 -1.72 0.00 0.00 179.24 179.40 1ukc h GLN 183 N 0.41 1.05 -0.47 3.56 4.20 -1.22 0.22 115.11 122.87 1ukc h GLN 183 Ca 0.29 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1ukc h GLN 183 Cb 0.34 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1ukc h GLN 183 CO -0.28 0.94 0.26 0.00 -0.67 0.00 0.00 178.83 179.07 1ukc h ARG 184 N 0.97 0.50 -0.32 1.46 2.47 -0.85 0.62 114.38 119.22 1ukc h ARG 184 Ca 0.21 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1ukc h ARG 184 Cb 0.36 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1ukc h ARG 184 CO 0.00 0.33 0.16 -0.22 0.56 0.00 0.00 179.97 180.80 1ukc h LYS 185 N 0.51 0.32 -0.45 0.04 1.63 -0.76 -0.53 116.57 117.33 1ukc h LYS 185 Ca 0.20 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1ukc h LYS 185 Cb 0.06 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1ukc h LYS 185 CO -0.11 0.21 0.29 0.00 -3.45 0.00 0.00 179.45 176.38 1ukc h ALA 186 N 1.16 0.57 -0.83 5.00 0.00 -0.54 0.21 119.26 124.84 1ukc h ALA 186 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ukc h ALA 186 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ukc h ALA 186 CO -0.09 -0.01 0.54 -0.07 0.00 0.00 0.00 179.25 179.62 1ukc h LEU 187 N 0.58 0.90 -0.93 0.00 4.07 -0.69 -1.49 115.31 117.75 1ukc h LEU 187 Ca 0.17 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 1ukc h LEU 187 Cb -0.04 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 1ukc h LEU 187 CO -0.05 0.63 -0.34 0.03 -1.08 0.00 0.00 178.44 177.62 1ukc h ARG 188 N 1.06 0.36 -0.23 1.13 3.08 -0.55 -1.56 114.38 117.68 1ukc h ARG 188 Ca 0.32 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ukc h ARG 188 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ukc h ARG 188 CO -0.10 0.67 0.13 2.35 -1.07 0.00 0.00 179.97 181.95 1ukc h TRP 189 N 0.31 0.31 -0.55 3.04 7.01 -0.08 0.18 115.95 126.16 1ukc h TRP 189 Ca 0.04 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.06 1ukc h TRP 189 Cb 0.76 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1ukc h TRP 189 CO 0.02 0.26 0.33 0.28 -2.79 0.00 0.00 178.44 176.54 1ukc h VAL 190 N 0.27 1.06 -0.82 2.65 2.07 -1.18 0.14 116.25 120.43 1ukc h VAL 190 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1ukc h VAL 190 Cb 0.05 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1ukc h VAL 190 CO -0.01 0.12 0.48 0.50 0.02 0.00 0.00 177.57 178.68 1ukc h LYS 191 N 0.66 1.13 -0.14 1.57 1.63 -1.00 -1.14 116.57 119.27 1ukc h LYS 191 Ca 0.22 -0.11 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 1ukc h LYS 191 Cb 0.02 -0.23 0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1ukc h LYS 191 CO -0.09 0.80 -0.81 0.37 -3.45 0.00 0.00 179.45 176.27 1ukc h GLN 192 N 1.13 0.79 0.00 1.90 4.15 -0.54 -3.41 115.11 119.13 1ukc h GLN 192 Ca 0.29 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1ukc h GLN 192 Cb -0.02 0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1ukc h GLN 192 CO -0.05 1.27 -0.67 0.66 -1.93 0.00 0.00 178.83 178.10 1ukc n TYR 193 N -3.93 0.00 0.27 3.99 4.01 0.45 -4.73 117.16 117.22 1ukc n TYR 193 Ca -0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.78 1ukc n TYR 193 Cb 0.76 -0.04 0.74 0.00 -0.31 0.00 0.00 39.34 40.49 1ukc n TYR 193 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1ukc h ILE 194 N 0.00 0.69 -0.98 -0.72 6.09 -1.36 -1.62 117.51 119.62 1ukc h ILE 194 Ca 0.00 -0.36 0.20 0.00 -1.37 0.00 0.00 64.86 63.33 1ukc h ILE 194 Cb 0.12 1.22 -0.09 0.00 0.47 0.00 0.00 36.82 38.54 1ukc h ILE 194 CO 0.00 0.09 0.62 -0.08 -3.07 0.00 0.00 178.15 175.70 1ukc h GLU 195 N 0.00 0.60 0.00 2.19 4.81 -1.80 0.15 114.58 120.53 1ukc h GLU 195 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ukc h GLU 195 Cb 0.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ukc h GLU 195 CO 0.01 0.40 0.00 1.96 -0.73 0.00 0.00 179.01 180.65 1ukc h GLN 196 N 0.62 0.00 -0.61 1.92 1.08 -1.58 -1.96 115.11 114.58 1ukc h GLN 196 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 1ukc h GLN 196 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1ukc h GLN 196 CO -0.30 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 178.77 1ukc n PHE 197 N -2.81 0.81 -0.21 2.96 3.01 0.49 -4.45 117.46 117.26 1ukc n PHE 197 Ca -0.00 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.06 1ukc n PHE 197 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1ukc n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukc n GLY 198 N 1.62 0.64 3.90 1.37 0.00 -0.73 -4.83 105.19 107.16 1ukc n GLY 198 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1ukc n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukc s GLY 199 N -1.31 1.51 -0.36 -0.02 0.00 -0.87 0.02 107.32 106.29 1ukc s GLY 199 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 1ukc s GLY 199 CO 0.00 -0.32 0.23 -0.35 0.00 0.00 0.00 173.10 172.66 1ukc s ASP 200 N -4.12 5.89 0.28 1.64 -1.08 0.56 -3.69 116.67 116.14 1ukc s ASP 200 Ca 0.48 -0.68 0.25 0.00 -0.52 0.00 0.00 52.55 52.08 1ukc s ASP 200 Cb -0.10 -2.09 0.99 0.00 -1.46 0.00 0.00 42.92 40.26 1ukc s ASP 200 CO 0.45 -0.31 1.74 1.55 0.52 0.00 0.00 175.17 179.12 1ukc h PRO 201 N 8.48 0.00 -0.39 4.34 0.13 -1.88 -0.29 132.00 142.39 1ukc h PRO 201 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ukc h PRO 201 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ukc h PRO 201 CO 0.66 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 1ukc n ASP 202 N -2.31 2.51 -3.18 1.44 8.00 -1.26 -4.40 116.55 117.36 1ukc n ASP 202 Ca 0.02 -1.92 -0.21 0.00 0.71 0.00 0.00 54.79 53.39 1ukc n ASP 202 Cb 0.26 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1ukc n ASP 202 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ukc n HIS 203 N 0.87 0.49 -4.24 1.24 -0.00 -0.12 -4.86 115.22 108.60 1ukc n HIS 203 Ca 0.17 -3.78 -0.34 0.00 0.46 0.00 0.00 57.72 54.23 1ukc n HIS 203 Cb 0.42 -0.41 -0.11 0.00 -0.12 0.00 0.00 29.99 29.77 1ukc n HIS 203 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1ukc s ILE 204 N -2.28 4.21 -0.18 3.57 1.01 -1.25 -1.09 121.20 125.20 1ukc s ILE 204 Ca 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1ukc s ILE 204 Cb 0.29 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1ukc s ILE 204 CO -0.09 0.48 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 1ukc s VAL 205 N 0.40 3.19 0.06 2.92 1.01 -0.27 -0.59 120.40 127.11 1ukc s VAL 205 Ca -0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1ukc s VAL 205 Cb -0.14 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1ukc s VAL 205 CO 0.02 0.48 0.53 0.27 0.00 0.00 0.00 175.10 176.39 1ukc s ILE 206 N 0.96 4.82 -0.15 2.22 -4.36 -1.02 -0.82 121.20 122.84 1ukc s ILE 206 Ca -0.01 1.10 -0.02 0.00 -0.26 0.00 0.00 60.65 61.46 1ukc s ILE 206 Cb -0.15 -3.84 0.04 0.00 1.25 0.00 0.00 42.46 39.76 1ukc s ILE 206 CO -0.00 0.55 -0.00 -2.28 0.24 0.00 0.00 174.94 173.44 1ukc s HIS 207 N -1.12 1.13 0.02 1.37 2.46 0.49 -0.17 115.29 119.46 1ukc s HIS 207 Ca 0.28 -0.73 0.04 0.00 0.47 0.00 0.00 55.06 55.12 1ukc s HIS 207 Cb -0.19 -1.05 -0.03 0.00 -0.13 0.00 0.00 32.58 31.18 1ukc s HIS 207 CO 0.18 -0.53 -0.08 0.20 -2.47 0.00 0.00 174.74 172.04 1ukc s GLY 208 N 1.82 1.75 -0.08 1.59 0.00 -0.33 -0.03 107.32 112.04 1ukc s GLY 208 Ca 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.72 1ukc s GLY 208 CO -0.07 -0.95 -0.24 0.54 0.00 0.00 0.00 173.10 172.38 1ukc s VAL 209 N -1.03 2.06 0.00 1.40 0.11 -0.84 -0.90 120.40 121.20 1ukc s VAL 209 Ca 0.18 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1ukc s VAL 209 Cb -0.11 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1ukc s VAL 209 CO 0.09 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.18 1ukc n SER 210 N 3.26 0.00 0.25 3.54 2.88 -0.23 -0.60 113.62 122.72 1ukc n SER 210 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.50 1ukc n SER 210 Cb 0.53 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.82 1ukc n SER 210 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ukc h ALA 211 N -0.93 1.73 -0.05 -1.46 0.00 -1.85 0.23 119.26 116.93 1ukc h ALA 211 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ukc h ALA 211 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ukc h ALA 211 CO 0.00 -0.11 -0.51 0.78 0.00 0.00 0.00 179.25 179.41 1ukc h GLY 212 N 0.00 0.15 1.12 0.00 0.00 -0.78 0.05 103.07 103.61 1ukc h GLY 212 Ca 0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1ukc h GLY 212 CO -0.00 0.15 -0.59 0.00 0.00 0.00 0.00 176.54 176.10 1ukc h ALA 213 N 1.37 0.39 -0.81 3.60 0.00 -0.52 -0.77 119.26 122.52 1ukc h ALA 213 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ukc h ALA 213 Cb 0.94 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1ukc h ALA 213 CO 0.07 0.64 0.50 0.78 0.00 0.00 0.00 179.25 181.24 1ukc h GLY 214 N 0.58 1.21 0.94 0.00 0.00 -1.10 -2.46 103.07 102.25 1ukc h GLY 214 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1ukc h GLY 214 CO 0.13 0.24 0.50 1.76 0.00 0.00 0.00 176.54 179.17 1ukc h SER 215 N 0.91 0.85 -0.95 0.19 0.02 -0.73 -1.67 113.55 112.17 1ukc h SER 215 Ca 0.35 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1ukc h SER 215 Cb 0.16 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1ukc h SER 215 CO -0.17 0.60 0.62 0.58 -1.14 0.00 0.00 176.83 177.32 1ukc h VAL 216 N 1.00 1.09 -0.49 2.27 2.07 -0.82 0.36 116.25 121.72 1ukc h VAL 216 Ca 0.29 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1ukc h VAL 216 Cb -0.06 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.57 1ukc h VAL 216 CO -0.09 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.76 1ukc h ALA 217 N 1.48 1.18 -0.57 1.67 0.00 -0.87 0.15 119.26 122.30 1ukc h ALA 217 Ca 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ukc h ALA 217 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ukc h ALA 217 CO -0.15 0.55 -0.05 1.88 0.00 0.00 0.00 179.25 181.48 1ukc h TYR 218 N 0.74 1.12 -0.65 0.00 0.05 -0.32 -1.62 116.97 116.30 1ukc h TYR 218 Ca 0.16 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 1ukc h TYR 218 Cb 0.37 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1ukc h TYR 218 CO 0.02 1.01 0.14 0.45 -1.05 0.00 0.00 178.16 178.73 1ukc h HIS 219 N 0.92 1.11 -0.54 4.88 3.86 0.25 0.16 115.15 125.80 1ukc h HIS 219 Ca 0.16 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1ukc h HIS 219 Cb 0.60 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1ukc h HIS 219 CO 0.04 0.93 0.01 -0.07 0.86 0.00 0.00 177.93 179.70 1ukc h LEU 220 N 0.98 0.88 -2.68 2.43 3.38 -0.65 -3.10 115.31 116.55 1ukc h LEU 220 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ukc h LEU 220 Cb 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ukc h LEU 220 CO 0.01 0.93 0.00 -1.54 0.09 0.00 0.00 178.44 177.93 1ukc n SER 221 N -4.20 3.94 -4.69 -0.43 3.41 -0.62 -0.52 113.62 110.51 1ukc n SER 221 Ca 0.03 -2.07 -0.44 0.00 -0.26 0.00 0.00 58.87 56.12 1ukc n SER 221 Cb 0.31 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 1ukc n SER 221 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukc n ALA 222 N 1.50 1.96 -1.69 7.33 0.00 0.55 -0.71 120.51 129.45 1ukc n ALA 222 Ca 0.24 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.94 1ukc n ALA 222 Cb 0.64 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 1ukc n ALA 222 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ukc n TYR 223 N 3.66 -0.41 -0.62 0.00 4.01 -0.67 -1.05 117.16 122.09 1ukc n TYR 223 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1ukc n TYR 223 Cb 0.31 -3.11 0.00 0.00 -0.31 0.00 0.00 39.34 36.23 1ukc n TYR 223 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukc n GLY 224 N -0.45 0.72 0.00 2.72 0.00 0.11 -4.60 105.19 103.70 1ukc n GLY 224 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ukc n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 225 N -2.44 1.23 3.75 -0.02 0.00 -0.22 -3.94 105.19 103.55 1ukc n GLY 225 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ukc n GLY 225 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ukc s LYS 226 N -0.52 4.29 -0.39 1.61 2.20 -1.25 -3.63 119.74 122.05 1ukc s LYS 226 Ca 0.00 2.28 -0.29 0.00 -0.36 0.00 0.00 55.97 57.60 1ukc s LYS 226 Cb 0.00 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1ukc s LYS 226 CO 0.00 -0.36 1.23 0.34 -0.36 0.00 0.00 175.35 176.20 1ukc s ASP 227 N 0.13 6.62 0.00 1.43 -1.08 -1.26 -4.89 116.67 117.62 1ukc s ASP 227 Ca 0.56 0.83 0.23 0.00 -0.52 0.00 0.00 52.55 53.66 1ukc s ASP 227 Cb -0.41 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.17 1ukc s ASP 227 CO 0.46 -1.19 1.52 -0.62 0.52 0.00 0.00 175.17 175.86 1ukc n GLU 228 N 7.61 1.97 -1.38 4.34 -0.58 -1.26 -4.93 120.64 126.41 1ukc n GLU 228 Ca 0.14 -1.44 -0.03 0.00 -0.42 0.00 0.00 57.16 55.40 1ukc n GLU 228 Cb 0.48 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1ukc n GLU 228 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukc n GLY 229 N 1.25 0.51 0.19 0.62 0.00 -1.26 -4.93 105.19 101.56 1ukc n GLY 229 Ca 0.17 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ukc n GLY 229 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukc h LEU 230 N 0.00 0.00 -7.00 0.99 3.38 -1.91 -3.47 115.31 107.29 1ukc h LEU 230 Ca -0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1ukc h LEU 230 Cb 0.45 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.05 1ukc h LEU 230 CO 0.09 0.10 0.39 0.72 0.09 0.00 0.00 178.44 179.83 1ukc s PHE 231 N -3.19 -0.42 0.00 1.13 -0.12 -1.26 -4.74 117.98 109.37 1ukc s PHE 231 Ca 0.05 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.25 1ukc s PHE 231 Cb 0.06 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1ukc s PHE 231 CO 0.71 -0.63 0.66 0.44 -0.05 0.00 0.00 175.22 176.34 1ukc n ILE 232 N -0.16 0.33 -3.53 -4.49 -5.35 0.24 -4.95 119.36 101.44 1ukc n ILE 232 Ca -0.12 -0.65 -0.08 0.00 -0.27 0.00 0.00 62.75 61.63 1ukc n ILE 232 Cb 0.62 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 1ukc n ILE 232 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ukc s GLY 233 N -0.33 -0.44 -0.01 3.28 0.00 -1.25 -4.13 107.32 104.45 1ukc s GLY 233 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 1ukc s GLY 233 CO 0.00 0.30 0.03 0.00 0.00 0.00 0.00 173.10 173.43 1ukc s ALA 234 N -3.13 -0.07 -0.17 3.20 0.00 -0.18 -2.45 121.76 118.96 1ukc s ALA 234 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 1ukc s ALA 234 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1ukc s ALA 234 CO -0.08 -0.05 -0.10 0.42 0.00 0.00 0.00 175.76 175.96 1ukc s ILE 235 N -0.27 3.16 -0.50 0.00 1.01 0.75 -1.30 121.20 124.06 1ukc s ILE 235 Ca -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1ukc s ILE 235 Cb -0.02 -2.37 0.13 0.00 0.01 0.00 0.00 42.46 40.20 1ukc s ILE 235 CO -0.00 0.49 0.25 -0.69 0.00 0.00 0.00 174.94 174.99 1ukc s VAL 236 N 0.84 2.76 -0.48 2.92 1.01 0.83 -1.18 120.40 127.10 1ukc s VAL 236 Ca -0.03 -3.03 -0.16 0.00 0.00 0.00 0.00 61.98 58.76 1ukc s VAL 236 Cb -0.15 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.39 1ukc s VAL 236 CO 0.01 -0.77 0.45 -0.70 0.00 0.00 0.00 175.10 174.08 1ukc s GLU 237 N 0.03 3.02 -0.62 2.72 2.12 -0.08 -1.85 118.70 124.04 1ukc s GLU 237 Ca 0.15 -1.22 -0.08 0.00 0.36 0.00 0.00 54.97 54.18 1ukc s GLU 237 Cb -0.24 -4.12 0.01 0.00 0.26 0.00 0.00 34.13 30.05 1ukc s GLU 237 CO -0.02 -1.06 0.65 0.43 -0.54 0.00 0.00 175.26 174.72 1ukc n SER 238 N 5.44 -7.40 -4.38 -1.70 7.64 0.38 -1.07 113.62 112.53 1ukc n SER 238 Ca -0.11 0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.41 1ukc n SER 238 Cb 0.44 -4.72 0.01 0.00 -1.01 0.00 0.00 64.21 58.94 1ukc n SER 238 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ukc n SER 239 N -1.23 -1.89 -3.59 6.43 7.64 -1.26 -2.55 113.62 117.17 1ukc n SER 239 Ca 0.00 0.80 -0.27 0.00 1.01 0.00 0.00 58.87 60.41 1ukc n SER 239 Cb 0.52 -1.02 -0.16 0.00 -1.01 0.00 0.00 64.21 62.53 1ukc n SER 239 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ukc s PHE 240 N -1.67 0.24 -0.66 1.43 5.36 -1.24 -4.16 117.98 117.29 1ukc s PHE 240 Ca 0.62 -0.51 0.05 0.00 -0.96 0.00 0.00 56.93 56.13 1ukc s PHE 240 Cb -0.56 -0.77 0.18 0.00 -0.34 0.00 0.00 43.02 41.54 1ukc s PHE 240 CO 0.60 -0.62 0.51 0.91 -1.46 0.00 0.00 175.22 175.15 1ukc n TRP 241 N 5.27 2.69 -1.63 10.12 7.02 0.18 -4.18 117.44 136.90 1ukc n TRP 241 Ca -0.07 -4.15 -0.28 0.00 -1.02 0.00 0.00 57.50 51.98 1ukc n TRP 241 Cb 0.47 -0.50 0.21 0.00 -2.42 0.00 0.00 31.31 29.07 1ukc n TRP 241 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1ukc n PRO 242 N 1.93 -1.76 -1.74 -0.99 -0.04 -1.26 -4.71 135.00 126.43 1ukc n PRO 242 Ca 0.22 -1.87 -0.42 0.00 -0.04 0.00 0.00 63.50 61.39 1ukc n PRO 242 Cb 0.38 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1ukc n PRO 242 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ukc n THR 243 N -4.04 1.44 -3.97 0.52 5.66 -1.26 -4.79 114.28 107.84 1ukc n THR 243 Ca 0.15 -0.36 -0.31 0.00 -3.05 0.00 0.00 64.05 60.49 1ukc n THR 243 Cb 0.55 -1.85 -0.15 0.00 -1.55 0.00 0.00 70.33 67.34 1ukc n THR 243 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1ukc s GLN 244 N -1.16 1.55 0.64 1.09 0.74 0.20 -4.82 119.66 117.91 1ukc s GLN 244 Ca 0.60 -2.03 -0.03 0.00 0.05 0.00 0.00 55.36 53.95 1ukc s GLN 244 Cb -0.52 -3.11 0.06 0.00 1.10 0.00 0.00 33.01 30.54 1ukc s GLN 244 CO 0.55 -1.00 0.91 1.03 -0.55 0.00 0.00 175.29 176.23 1ukc s ARG 245 N 0.60 2.25 0.67 1.67 0.52 -1.26 -4.68 118.95 118.72 1ukc s ARG 245 Ca 0.13 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.69 1ukc s ARG 245 Cb -0.21 -2.32 0.06 0.00 0.52 0.00 0.00 34.95 32.99 1ukc s ARG 245 CO -0.07 -1.06 0.96 0.95 0.02 0.00 0.00 175.30 176.11 1ukc s THR 246 N -3.03 2.36 0.15 0.02 -4.23 -1.26 -1.98 115.64 107.67 1ukc s THR 246 Ca 0.60 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 1ukc s THR 246 Cb -0.10 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1ukc s THR 246 CO 0.42 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.87 1ukc h VAL 247 N -0.45 1.03 0.00 2.29 2.07 -1.97 -2.61 116.25 116.61 1ukc h VAL 247 Ca -0.44 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1ukc h VAL 247 Cb 1.31 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ukc h VAL 247 CO 0.58 0.08 -0.27 0.77 0.02 0.00 0.00 177.57 178.75 1ukc h SER 248 N 0.43 0.00 0.64 0.57 4.64 -1.95 -1.49 113.55 116.39 1ukc h SER 248 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ukc h SER 248 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ukc h SER 248 CO -0.08 0.27 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 1ukc n GLU 249 N -3.75 0.13 -0.09 4.77 1.02 -1.00 -2.73 120.64 119.00 1ukc n GLU 249 Ca -0.01 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 1ukc n GLU 249 Cb 0.37 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.41 1ukc n GLU 249 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ukc n MET 250 N -1.41 1.69 -0.35 3.49 2.81 -0.57 -4.56 117.12 118.21 1ukc n MET 250 Ca 0.08 -1.68 -0.01 0.00 -1.81 0.00 0.00 57.70 54.28 1ukc n MET 250 Cb 0.23 -1.30 0.14 0.00 -0.71 0.00 0.00 33.22 31.58 1ukc n MET 250 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ukc h GLU 251 N 2.76 1.24 -0.87 0.03 4.39 -1.37 -1.38 114.58 119.38 1ukc h GLU 251 Ca 0.00 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.75 1ukc h GLU 251 Cb 0.68 -0.28 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1ukc h GLU 251 CO 0.00 0.82 0.56 0.27 -1.16 0.00 0.00 179.01 179.50 1ukc h PHE 252 N 1.28 0.84 0.06 4.33 -5.15 -1.80 -1.04 116.94 115.46 1ukc h PHE 252 Ca 0.36 0.02 -0.27 0.00 -0.20 0.00 0.00 57.97 57.88 1ukc h PHE 252 Cb -0.11 -0.27 0.02 0.00 0.22 0.00 0.00 35.95 35.82 1ukc h PHE 252 CO -0.00 0.34 -1.10 0.37 -2.00 0.00 0.00 178.31 175.92 1ukc h GLN 253 N 0.74 0.63 -0.37 6.09 4.15 -1.63 -1.41 115.11 123.32 1ukc h GLN 253 Ca 0.42 -0.77 0.01 0.00 0.77 0.00 0.00 58.65 59.09 1ukc h GLN 253 Cb 0.60 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1ukc h GLN 253 CO -0.19 1.34 0.22 0.35 -1.93 0.00 0.00 178.83 178.62 1ukc h PHE 254 N 0.27 0.42 -0.49 3.99 3.57 -0.84 -0.97 116.94 122.90 1ukc h PHE 254 Ca -0.16 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 1ukc h PHE 254 Cb 1.77 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1ukc h PHE 254 CO 0.12 0.25 -0.07 0.93 -2.23 0.00 0.00 178.31 177.31 1ukc h GLU 255 N 0.45 0.91 -0.71 1.11 5.08 -1.18 -0.09 114.58 120.15 1ukc h GLU 255 Ca 0.14 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1ukc h GLU 255 Cb -0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ukc h GLU 255 CO -0.06 0.98 0.31 -0.09 -1.00 0.00 0.00 179.01 179.15 1ukc h ARG 256 N 0.77 1.05 -0.56 2.33 2.43 -1.16 -1.26 114.38 117.99 1ukc h ARG 256 Ca 0.13 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1ukc h ARG 256 Cb 0.61 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1ukc h ARG 256 CO 0.04 0.85 0.01 0.35 -1.51 0.00 0.00 179.97 179.72 1ukc h PHE 257 N 1.01 1.07 -0.91 2.20 3.57 -0.86 -1.22 116.94 121.81 1ukc h PHE 257 Ca 0.24 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1ukc h PHE 257 Cb 0.18 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1ukc h PHE 257 CO 0.01 0.96 0.57 0.28 -2.23 0.00 0.00 178.31 177.91 1ukc h VAL 258 N 0.87 1.07 -0.04 1.41 2.07 -0.65 -2.54 116.25 118.45 1ukc h VAL 258 Ca 0.16 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ukc h VAL 258 Cb 0.53 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ukc h VAL 258 CO 0.03 0.19 -0.01 0.78 0.02 0.00 0.00 177.57 178.58 1ukc h ASN 259 N 1.05 0.07 0.17 0.57 4.21 -0.88 -0.62 115.58 120.15 1ukc h ASN 259 Ca 0.39 -0.38 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1ukc h ASN 259 Cb 0.15 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1ukc h ASN 259 CO -0.17 0.43 -0.09 0.44 -1.29 0.00 0.00 177.43 176.75 1ukc h ASP 260 N -0.29 0.00 -0.32 5.81 3.32 -1.12 -0.82 116.42 122.99 1ukc h ASP 260 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ukc h ASP 260 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1ukc h ASP 260 CO 0.00 0.09 0.00 0.35 -1.72 0.00 0.00 179.24 177.96 1ukc n THR 261 N -3.99 0.42 -2.12 0.35 -2.24 -0.97 -4.39 114.28 101.35 1ukc n THR 261 Ca -0.02 -0.54 -0.07 0.00 -2.27 0.00 0.00 64.05 61.15 1ukc n THR 261 Cb 0.18 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1ukc n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukc n GLY 262 N 1.26 0.10 0.47 3.38 0.00 -0.31 -4.92 105.19 105.17 1ukc n GLY 262 Ca 0.17 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1ukc n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc h SER 264 N 1.68 0.00 1.08 0.00 4.64 -1.85 -2.87 113.55 116.23 1ukc h SER 264 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukc h SER 264 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ukc h SER 264 CO 0.00 0.09 -0.30 -1.54 -0.87 0.00 0.00 176.83 174.21 1ukc n SER 265 N -3.19 0.65 -4.76 4.97 3.41 -1.26 -4.89 113.62 108.54 1ukc n SER 265 Ca 0.01 0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 58.52 1ukc n SER 265 Cb 0.40 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1ukc n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukc s ALA 266 N -3.11 3.48 0.12 7.33 0.00 -1.09 -4.95 121.76 123.55 1ukc s ALA 266 Ca 0.09 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1ukc s ALA 266 Cb 0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1ukc s ALA 266 CO 0.65 -0.51 1.50 -0.09 0.00 0.00 0.00 175.76 177.31 1ukc h ARG 267 N 3.71 0.77 -4.28 0.00 2.43 -1.90 -3.37 114.38 111.74 1ukc h ARG 267 Ca -0.48 -0.33 -0.73 0.00 -0.81 0.00 0.00 59.98 57.63 1ukc h ARG 267 Cb 1.22 -0.03 -0.29 0.00 -0.42 0.00 0.00 29.97 30.46 1ukc h ARG 267 CO 0.67 0.95 -0.38 0.34 -1.51 0.00 0.00 179.97 180.04 1ukc s ASP 268 N -6.47 5.76 0.12 -3.80 -1.08 -1.26 -4.97 116.67 104.97 1ukc s ASP 268 Ca -0.12 -1.88 -0.25 0.00 -0.52 0.00 0.00 52.55 49.77 1ukc s ASP 268 Cb 0.10 -2.03 -0.06 0.00 -1.46 0.00 0.00 42.92 39.47 1ukc s ASP 268 CO 0.83 -0.71 1.64 0.28 0.52 0.00 0.00 175.17 177.73 1ukc h SER 269 N 8.50 -0.69 -0.76 -0.34 0.02 -1.88 -2.06 113.55 116.33 1ukc h SER 269 Ca -0.22 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ukc h SER 269 Cb 1.08 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 1ukc h SER 269 CO 0.88 -0.30 0.48 -0.07 -1.14 0.00 0.00 176.83 176.67 1ukc h LEU 270 N -0.37 0.89 -0.28 5.07 -0.00 -1.94 -1.34 115.31 117.34 1ukc h LEU 270 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1ukc h LEU 270 Cb 0.45 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1ukc h LEU 270 CO -0.20 0.67 0.18 -0.08 -0.00 0.00 0.00 178.44 179.01 1ukc h GLU 271 N 1.03 0.36 -0.31 1.13 4.81 -1.93 -0.78 114.58 118.89 1ukc h GLU 271 Ca 0.27 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1ukc h GLU 271 Cb -0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1ukc h GLU 271 CO -0.06 0.24 0.13 0.00 -0.73 0.00 0.00 179.01 178.59 1ukc h LEU 273 N 0.28 0.68 -0.88 0.00 3.38 -0.88 -1.25 115.31 116.65 1ukc h LEU 273 Ca 0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ukc h LEU 273 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ukc h LEU 273 CO -0.12 0.39 0.00 0.03 0.09 0.00 0.00 178.44 178.83 1ukc h ARG 274 N 0.80 0.00 0.00 1.13 3.08 -0.79 -2.87 114.38 115.72 1ukc h ARG 274 Ca 0.40 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 1ukc h ARG 274 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1ukc h ARG 274 CO -0.25 0.00 -1.14 0.93 -1.07 0.00 0.00 179.97 178.44 1ukc h GLU 275 N 0.00 0.00 -6.94 0.04 5.08 -0.88 -3.42 114.58 108.46 1ukc h GLU 275 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1ukc h GLU 275 Cb 0.40 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.71 1ukc h GLU 275 CO 0.00 0.21 0.55 -0.65 -1.00 0.00 0.00 179.01 178.11 1ukc s GLN 276 N -3.08 4.04 0.82 2.33 -1.52 -1.09 -5.01 119.66 116.15 1ukc s GLN 276 Ca -0.01 1.96 -0.11 0.00 -1.95 0.00 0.00 55.36 55.25 1ukc s GLN 276 Cb 0.09 -2.73 0.08 0.00 -0.22 0.00 0.00 33.01 30.23 1ukc s GLN 276 CO 0.79 -0.37 1.09 0.16 -0.25 0.00 0.00 175.29 176.72 1ukc s ASP 277 N -0.97 4.21 0.29 5.90 1.47 -1.26 -4.82 116.67 121.48 1ukc s ASP 277 Ca 0.56 1.41 -0.03 0.00 1.18 0.00 0.00 52.55 55.68 1ukc s ASP 277 Cb -0.34 -2.13 0.40 0.00 -0.34 0.00 0.00 42.92 40.51 1ukc s ASP 277 CO 0.43 -2.16 1.95 -0.29 0.68 0.00 0.00 175.17 175.78 1ukc h ILE 278 N -1.22 1.21 -0.90 2.11 6.09 -1.98 -1.83 117.51 120.99 1ukc h ILE 278 Ca -0.47 -0.40 0.05 0.00 -1.37 0.00 0.00 64.86 62.66 1ukc h ILE 278 Cb 1.27 -0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.43 1ukc h ILE 278 CO 0.57 0.22 0.59 0.00 -3.07 0.00 0.00 178.15 176.45 1ukc h ALA 279 N 1.46 1.47 -0.15 0.18 0.00 -1.98 0.07 119.26 120.30 1ukc h ALA 279 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1ukc h ALA 279 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ukc h ALA 279 CO -0.08 0.42 -0.37 1.15 0.00 0.00 0.00 179.25 180.37 1ukc h THR 280 N 1.08 1.35 -0.70 0.00 2.02 -1.73 -3.07 112.91 111.85 1ukc h THR 280 Ca 0.37 -1.63 0.13 0.00 0.77 0.00 0.00 66.41 66.05 1ukc h THR 280 Cb 0.10 2.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.42 1ukc h THR 280 CO -0.12 0.49 0.23 0.40 0.37 0.00 0.00 175.52 176.89 1ukc h ILE 281 N 0.15 0.64 0.00 3.11 1.08 -0.96 -2.14 117.51 119.38 1ukc h ILE 281 Ca -0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ukc h ILE 281 Cb 0.97 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1ukc h ILE 281 CO 0.08 0.07 -0.01 1.56 -0.69 0.00 0.00 178.15 179.15 1ukc h GLN 282 N 0.36 0.00 -0.40 2.37 1.08 -0.90 -1.01 115.11 116.62 1ukc h GLN 282 Ca 0.38 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.52 1ukc h GLN 282 Cb 0.58 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1ukc h GLN 282 CO -0.41 0.01 -0.01 0.87 -0.95 0.00 0.00 178.83 178.34 1ukc h LYS 283 N 0.00 0.64 0.00 1.46 1.57 -1.36 -2.80 116.57 116.08 1ukc h LYS 283 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ukc h LYS 283 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1ukc h LYS 283 CO 0.00 0.67 -0.72 0.78 -0.57 0.00 0.00 179.45 179.61 1ukc h GLY 284 N 0.92 0.00 -6.00 3.86 0.00 -1.31 -3.42 103.07 97.11 1ukc h GLY 284 Ca 0.12 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.73 1ukc h GLY 284 CO 0.02 0.00 2.80 -2.01 0.00 0.00 0.00 176.54 177.34 1ukc n ASN 285 N -2.38 5.17 -3.58 0.19 2.85 -0.83 -4.83 115.26 111.86 1ukc n ASN 285 Ca 0.02 -2.92 -0.12 0.00 -0.11 0.00 0.00 54.58 51.44 1ukc n ASN 285 Cb 0.48 -1.56 -0.05 0.00 1.24 0.00 0.00 39.78 39.89 1ukc n ASN 285 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ukc s THR 286 N 1.79 0.04 0.54 -0.44 -1.32 -1.26 -0.58 115.64 114.41 1ukc s THR 286 Ca 0.48 -0.33 -0.15 0.00 -1.21 0.00 0.00 61.69 60.47 1ukc s THR 286 Cb 0.13 -1.03 -0.07 0.00 -1.51 0.00 0.00 72.50 70.02 1ukc s THR 286 CO -0.05 -0.18 1.00 -0.83 -2.21 0.00 0.00 174.62 172.34 1ukc s GLY 287 N -2.34 2.00 0.27 6.08 0.00 -1.26 -4.99 107.32 107.07 1ukc s GLY 287 Ca -0.02 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1ukc s GLY 287 CO -0.07 0.43 0.66 -1.35 0.00 0.00 0.00 173.10 172.78 1ukc s SER 288 N -3.24 -0.22 0.47 1.64 1.04 -1.26 -5.06 113.70 107.07 1ukc s SER 288 Ca 0.59 -0.68 -0.23 0.00 0.48 0.00 0.00 55.95 56.11 1ukc s SER 288 Cb -0.11 0.69 -0.07 0.00 0.10 0.00 0.00 66.02 66.64 1ukc s SER 288 CO 0.36 -1.29 1.25 -2.84 0.98 0.00 0.00 173.24 171.70 1ukc s PRO 289 N -3.94 3.61 0.59 4.02 0.02 -1.26 -4.53 135.00 133.51 1ukc s PRO 289 Ca 0.14 2.00 -0.17 0.00 0.02 0.00 0.00 61.00 62.98 1ukc s PRO 289 Cb -0.05 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 1ukc s PRO 289 CO 0.07 -0.73 1.11 -0.06 -0.33 0.00 0.00 177.00 177.06 1ukc s PHE 290 N -1.41 2.69 0.03 6.54 0.40 -1.26 -4.94 117.98 120.03 1ukc s PHE 290 Ca 0.64 1.55 -0.35 0.00 -0.60 0.00 0.00 56.93 58.17 1ukc s PHE 290 Cb -0.34 -3.21 -0.14 0.00 0.51 0.00 0.00 43.02 39.84 1ukc s PHE 290 CO 0.42 -1.56 1.65 -2.30 0.70 0.00 0.00 175.22 174.13 1ukc n PRO 291 N -1.81 1.91 0.00 0.24 -0.02 -1.26 -0.47 135.00 133.58 1ukc n PRO 291 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ukc n PRO 291 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1ukc n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukc n GLY 292 N 3.64 2.97 3.87 -1.23 0.00 -1.26 -4.82 105.19 108.36 1ukc n GLY 292 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1ukc n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukc s GLY 293 N -2.64 1.93 0.88 -0.02 0.00 0.38 -4.92 107.32 102.93 1ukc s GLY 293 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.52 1ukc s GLY 293 CO 0.00 0.11 1.20 -1.35 0.00 0.00 0.00 173.10 173.06 1ukc s SER 294 N -3.27 3.47 0.43 1.64 1.04 -1.26 -4.83 113.70 110.91 1ukc s SER 294 Ca 0.53 -0.14 0.23 0.00 0.48 0.00 0.00 55.95 57.05 1ukc s SER 294 Cb -0.10 0.04 0.88 0.00 0.10 0.00 0.00 66.02 66.94 1ukc s SER 294 CO 0.34 -2.48 1.81 0.77 0.98 0.00 0.00 173.24 174.66 1ukc h SER 295 N -1.22 0.00 -3.86 7.02 4.64 -1.98 -3.44 113.55 114.70 1ukc h SER 295 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1ukc h SER 295 Cb 1.24 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.09 1ukc h SER 295 CO 0.35 0.26 -0.18 -0.55 -0.87 0.00 0.00 176.83 175.83 1ukc s SER 296 N -6.25 -0.49 0.62 4.97 0.15 -1.26 -4.26 113.70 107.18 1ukc s SER 296 Ca 0.00 0.94 -0.14 0.00 0.70 0.00 0.00 55.95 57.45 1ukc s SER 296 Cb 0.10 0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1ukc s SER 296 CO 0.65 -0.16 1.05 -2.16 1.20 0.00 0.00 173.24 173.81 1ukc s PRO 297 N 0.31 3.25 0.69 5.44 0.04 -1.26 -4.94 135.00 138.54 1ukc s PRO 297 Ca -0.01 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1ukc s PRO 297 Cb -0.03 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1ukc s PRO 297 CO -0.00 -0.85 1.25 -0.51 0.04 0.00 0.00 177.00 176.93 1ukc s LEU 298 N -4.83 3.44 0.60 -3.56 1.43 -1.26 -4.86 118.68 109.63 1ukc s LEU 298 Ca 0.61 2.50 -0.20 0.00 -1.03 0.00 0.00 54.13 56.01 1ukc s LEU 298 Cb -0.15 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.44 1ukc s LEU 298 CO 0.43 -2.17 1.32 -0.81 0.23 0.00 0.00 176.35 175.35 1ukc n PRO 299 N -2.35 1.38 -0.08 1.29 -0.04 -1.26 -4.88 135.00 129.07 1ukc n PRO 299 Ca 0.15 0.52 0.01 0.00 -0.04 0.00 0.00 63.50 64.14 1ukc n PRO 299 Cb 0.49 -2.55 0.31 0.00 -0.04 0.00 0.00 33.50 31.71 1ukc n PRO 299 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ukc h ASP 300 N 0.95 0.64 -3.66 3.54 5.19 -1.93 -3.43 116.42 117.71 1ukc h ASP 300 Ca -0.51 -0.05 -0.39 0.00 -0.62 0.00 0.00 57.03 55.46 1ukc h ASP 300 Cb 1.32 -0.16 -0.32 0.00 0.18 0.00 0.00 39.33 40.35 1ukc h ASP 300 CO 0.55 0.54 -0.77 0.26 -3.12 0.00 0.00 179.24 176.70 1ukc s TRP 301 N -5.44 0.72 0.09 4.55 0.52 -1.26 -5.06 118.94 113.06 1ukc s TRP 301 Ca -0.09 -0.17 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1ukc s TRP 301 Cb 0.17 -0.57 0.00 0.00 -1.15 0.00 0.00 33.47 31.92 1ukc s TRP 301 CO 0.76 -0.12 0.00 0.98 0.02 0.00 0.00 176.95 178.60 1ukc n TYR 302 N 3.58 -0.32 -2.77 -1.98 9.36 -1.26 -4.97 117.16 118.80 1ukc n TYR 302 Ca -0.21 0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.64 1ukc n TYR 302 Cb 0.53 0.10 -0.03 0.00 -0.63 0.00 0.00 39.34 39.31 1ukc n TYR 302 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1ukc s PHE 303 N -1.70 3.33 0.06 2.98 0.08 -1.26 -5.00 117.98 116.46 1ukc s PHE 303 Ca 0.00 1.31 -0.09 0.00 0.12 0.00 0.00 56.93 58.28 1ukc s PHE 303 Cb 0.00 -3.16 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1ukc s PHE 303 CO 0.00 -0.44 0.18 -0.51 -0.10 0.00 0.00 175.22 174.35 1ukc s LEU 304 N 3.01 1.44 0.37 -0.37 1.43 -1.26 -4.63 118.68 118.67 1ukc s LEU 304 Ca 0.40 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 1ukc s LEU 304 Cb -0.15 0.96 -0.11 0.00 0.03 0.00 0.00 46.19 46.91 1ukc s LEU 304 CO 0.07 -0.63 1.32 -2.65 0.23 0.00 0.00 176.35 174.69 1ukc n PRO 305 N 0.36 2.17 -4.45 1.29 -0.02 -1.26 -4.92 135.00 128.17 1ukc n PRO 305 Ca -0.17 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 61.85 1ukc n PRO 305 Cb 0.60 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 1ukc n PRO 305 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ukc s VAL 306 N -1.13 2.14 -0.03 -1.45 -7.23 -1.26 -4.17 120.40 107.26 1ukc s VAL 306 Ca 0.57 -2.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1ukc s VAL 306 Cb -0.53 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.02 1ukc s VAL 306 CO 0.61 -0.39 1.63 -0.89 -0.31 0.00 0.00 175.10 175.74 1ukc s THR 307 N -2.71 3.52 -0.55 5.32 2.01 -0.84 -4.82 115.64 117.58 1ukc s THR 307 Ca 0.29 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.05 1ukc s THR 307 Cb -0.01 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.06 1ukc s THR 307 CO 0.13 -0.05 0.57 -0.90 -0.69 0.00 0.00 174.62 173.68 1ukc n ASP 308 N 6.75 1.18 0.00 3.53 5.68 -0.23 -4.16 116.55 129.30 1ukc n ASP 308 Ca 0.17 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1ukc n ASP 308 Cb 0.43 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1ukc n ASP 308 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ukc n GLY 309 N 0.45 0.57 0.00 6.12 0.00 -0.83 -4.82 105.19 106.68 1ukc n GLY 309 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ukc n GLY 309 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukc n SER 310 N -0.12 0.00 -0.27 1.61 3.41 -1.26 -4.71 113.62 112.28 1ukc n SER 310 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ukc n SER 310 Cb 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1ukc n SER 310 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ukc h LEU 311 N 0.00 0.66 -7.20 1.04 5.85 -1.95 -3.19 115.31 110.51 1ukc h LEU 311 Ca 0.00 0.03 -0.63 0.00 0.84 0.00 0.00 57.88 58.12 1ukc h LEU 311 Cb 0.00 -0.10 -0.41 0.00 0.37 0.00 0.00 40.66 40.52 1ukc h LEU 311 CO 0.00 0.41 -0.57 -0.69 -0.34 0.00 0.00 178.44 177.24 1ukc s VAL 312 N -6.07 2.85 -0.83 1.05 1.01 -1.26 -1.66 120.40 115.49 1ukc s VAL 312 Ca -0.13 -3.92 0.26 0.00 0.00 0.00 0.00 61.98 58.20 1ukc s VAL 312 Cb 0.18 -2.90 0.19 0.00 0.00 0.00 0.00 36.38 33.84 1ukc s VAL 312 CO 0.77 -0.93 1.69 -0.81 0.00 0.00 0.00 175.10 175.82 1ukc n PRO 313 N 2.40 0.15 -3.96 2.72 -0.04 -1.25 -1.07 135.00 133.95 1ukc n PRO 313 Ca 0.14 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1ukc n PRO 313 Cb 0.34 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 1ukc n PRO 313 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ukc s ASP 314 N -3.80 -0.07 0.46 3.54 -1.08 -1.26 -4.70 116.67 109.76 1ukc s ASP 314 Ca 0.11 -0.89 -0.25 0.00 -0.52 0.00 0.00 52.55 51.00 1ukc s ASP 314 Cb 0.15 0.64 -0.08 0.00 -1.46 0.00 0.00 42.92 42.18 1ukc s ASP 314 CO 0.61 -1.23 1.36 -1.61 0.52 0.00 0.00 175.17 174.82 1ukc s GLU 315 N -3.84 3.66 0.21 4.34 0.41 -1.26 -4.86 118.70 117.35 1ukc s GLU 315 Ca 0.20 2.27 -0.09 0.00 -0.41 0.00 0.00 54.97 56.93 1ukc s GLU 315 Cb -0.02 -2.59 0.25 0.00 -1.78 0.00 0.00 34.13 29.99 1ukc s GLU 315 CO 0.09 -0.79 1.80 -0.07 -0.49 0.00 0.00 175.26 175.80 1ukc h LEU 316 N 2.23 0.49 -0.53 1.80 3.38 -1.95 -1.02 115.31 119.71 1ukc h LEU 316 Ca -0.50 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1ukc h LEU 316 Cb 1.27 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1ukc h LEU 316 CO 0.61 0.31 0.31 1.88 0.09 0.00 0.00 178.44 181.63 1ukc h TYR 317 N 0.63 0.57 -0.25 1.13 -1.99 -1.93 -1.89 116.97 113.24 1ukc h TYR 317 Ca 0.30 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 1ukc h TYR 317 Cb 0.23 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1ukc h TYR 317 CO -0.09 0.32 0.12 -0.91 -0.00 0.00 0.00 178.16 177.59 1ukc h ASN 318 N 0.60 0.33 -0.94 3.88 4.21 -1.76 -0.61 115.58 121.29 1ukc h ASN 318 Ca 0.22 -0.12 0.09 0.00 1.21 0.00 0.00 56.30 57.69 1ukc h ASN 318 Cb 0.05 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.09 1ukc h ASN 318 CO -0.11 0.36 0.61 0.00 -1.29 0.00 0.00 177.43 177.00 1ukc h ALA 319 N 0.98 1.55 0.06 -0.83 0.00 -0.93 -0.20 119.26 119.89 1ukc h ALA 319 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1ukc h ALA 319 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ukc h ALA 319 CO -0.01 0.27 -1.06 0.74 0.00 0.00 0.00 179.25 179.18 1ukc h PHE 320 N 0.99 0.44 -0.77 0.00 0.04 -1.14 -1.08 116.94 115.41 1ukc h PHE 320 Ca 0.43 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 60.95 1ukc h PHE 320 Cb 0.35 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1ukc h PHE 320 CO -0.00 1.16 0.49 -0.44 -0.60 0.00 0.00 178.31 178.92 1ukc h ASP 321 N 0.12 0.83 0.97 2.17 3.32 -0.61 -2.76 116.42 120.45 1ukc h ASP 321 Ca -0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ukc h ASP 321 Cb 1.75 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1ukc h ASP 321 CO 0.17 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 1ukc h ALA 322 N 1.31 1.00 -0.07 3.45 0.00 -0.93 -3.46 119.26 120.56 1ukc h ALA 322 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ukc h ALA 322 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ukc h ALA 322 CO -0.10 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 179.54 1ukc n GLY 323 N 0.13 0.52 2.31 0.00 0.00 -1.04 -4.94 105.19 102.16 1ukc n GLY 323 Ca 0.02 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1ukc n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ukc n ASN 324 N 0.81 8.57 -3.75 1.61 4.13 -0.44 -4.82 115.26 121.38 1ukc n ASN 324 Ca -0.01 -2.60 -0.10 0.00 1.68 0.00 0.00 54.58 53.55 1ukc n ASN 324 Cb 0.07 -1.54 -0.04 0.00 -1.54 0.00 0.00 39.78 36.73 1ukc n ASN 324 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ukc s PHE 325 N 1.90 -0.05 0.03 3.10 -0.12 -1.25 -3.54 117.98 118.04 1ukc s PHE 325 Ca 0.69 -0.29 -0.30 0.00 -0.05 0.00 0.00 56.93 56.98 1ukc s PHE 325 Cb 0.19 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1ukc s PHE 325 CO -0.06 -0.83 1.20 0.42 -0.05 0.00 0.00 175.22 175.89 1ukc s ILE 326 N -3.87 4.12 -1.04 -4.49 1.01 0.32 -4.87 121.20 112.38 1ukc s ILE 326 Ca 0.09 1.50 -0.17 0.00 0.00 0.00 0.00 60.65 62.08 1ukc s ILE 326 Cb 0.00 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.66 1ukc s ILE 326 CO -0.05 0.08 1.24 -0.54 0.00 0.00 0.00 174.94 175.68 1ukc s LYS 327 N 1.39 3.80 0.17 2.79 -0.14 -1.26 -4.96 119.74 121.52 1ukc s LYS 327 Ca 0.58 -2.10 0.06 0.00 -1.36 0.00 0.00 55.97 53.15 1ukc s LYS 327 Cb -0.28 -4.97 -0.04 0.00 -1.68 0.00 0.00 37.83 30.86 1ukc s LYS 327 CO 0.27 -1.76 -0.13 0.14 -0.76 0.00 0.00 175.35 173.11 1ukc s VAL 328 N 2.19 1.48 0.40 3.17 -7.23 -1.26 -5.05 120.40 114.10 1ukc s VAL 328 Ca 0.36 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1ukc s VAL 328 Cb -0.04 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.90 1ukc s VAL 328 CO -0.06 -0.61 0.93 -2.65 -0.31 0.00 0.00 175.10 172.41 1ukc n PRO 329 N -0.14 1.21 -4.10 4.82 -0.02 -1.26 -4.80 135.00 130.71 1ukc n PRO 329 Ca -0.10 0.43 -0.17 0.00 -2.02 0.00 0.00 63.50 61.64 1ukc n PRO 329 Cb 0.60 -1.92 -0.15 0.00 -0.02 0.00 0.00 33.50 32.00 1ukc n PRO 329 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ukc s VAL 330 N -1.28 0.38 -0.22 -1.45 1.01 -0.72 -1.01 120.40 117.11 1ukc s VAL 330 Ca 0.63 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1ukc s VAL 330 Cb -0.58 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1ukc s VAL 330 CO 0.57 0.16 -0.02 -0.22 0.00 0.00 0.00 175.10 175.58 1ukc s LEU 331 N 0.51 3.00 -0.01 3.92 0.20 -0.42 -1.67 118.68 124.21 1ukc s LEU 331 Ca -0.06 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.42 1ukc s LEU 331 Cb -0.09 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.91 1ukc s LEU 331 CO -0.00 -0.01 -0.01 0.54 -0.29 0.00 0.00 176.35 176.58 1ukc s VAL 332 N 1.42 0.15 0.12 1.68 0.11 0.07 -0.12 120.40 123.83 1ukc s VAL 332 Ca 0.05 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 1ukc s VAL 332 Cb -0.14 -0.16 0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1ukc s VAL 332 CO -0.02 0.07 0.70 0.61 -3.33 0.00 0.00 175.10 173.14 1ukc n GLY 333 N 3.36 0.82 3.41 6.54 0.00 -0.77 -1.44 105.19 117.10 1ukc n GLY 333 Ca -0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1ukc n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukc s ASP 334 N -2.66 -0.06 0.41 1.61 1.11 -0.95 -0.47 116.67 115.67 1ukc s ASP 334 Ca 0.16 -0.74 -0.04 0.00 0.18 0.00 0.00 52.55 52.11 1ukc s ASP 334 Cb -0.02 0.49 -0.04 0.00 1.07 0.00 0.00 42.92 44.42 1ukc s ASP 334 CO 0.04 -0.95 0.68 -1.81 1.18 0.00 0.00 175.17 174.31 1ukc s ASP 335 N -2.94 6.31 0.22 0.27 1.11 -1.26 -0.28 116.67 120.09 1ukc s ASP 335 Ca 0.15 0.76 -0.09 0.00 0.18 0.00 0.00 52.55 53.54 1ukc s ASP 335 Cb 0.02 -2.17 0.22 0.00 1.07 0.00 0.00 42.92 42.05 1ukc s ASP 335 CO -0.01 -0.44 1.85 0.74 1.18 0.00 0.00 175.17 178.50 1ukc h THR 336 N 0.56 1.10 -2.22 -1.27 2.02 -1.48 -3.28 112.91 108.34 1ukc h THR 336 Ca -0.48 -0.31 -0.59 0.00 0.77 0.00 0.00 66.41 65.80 1ukc h THR 336 Cb 1.21 0.11 -0.42 0.00 -1.74 0.00 0.00 68.15 67.31 1ukc h THR 336 CO 0.62 0.17 -0.68 0.47 0.37 0.00 0.00 175.52 176.47 1ukc n ASP 337 N -4.64 3.80 -0.32 4.18 9.92 -0.54 -4.91 116.55 124.05 1ukc n ASP 337 Ca 0.09 -3.51 0.16 0.00 -0.53 0.00 0.00 54.79 50.99 1ukc n ASP 337 Cb 0.09 -0.61 0.40 0.00 -0.64 0.00 0.00 41.12 40.36 1ukc n ASP 337 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ukc h GLU 338 N 3.47 0.60 -0.00 -1.24 4.39 -1.72 -2.85 114.58 117.23 1ukc h GLU 338 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1ukc h GLU 338 Cb 0.61 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ukc h GLU 338 CO 0.79 0.40 -0.16 0.41 -1.16 0.00 0.00 179.01 179.29 1ukc n GLY 339 N -1.40 -1.21 0.26 -3.84 0.00 -1.26 -4.17 105.19 93.56 1ukc n GLY 339 Ca 0.22 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1ukc n GLY 339 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ukc h SER 340 N 0.22 0.29 0.40 1.61 4.64 -1.75 -0.57 113.55 118.40 1ukc h SER 340 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ukc h SER 340 Cb 0.43 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ukc h SER 340 CO 0.00 0.38 -0.10 0.59 -0.87 0.00 0.00 176.83 176.83 1ukc n ASN 341 N -4.32 0.39 0.00 4.97 5.03 -1.26 -4.32 115.26 115.75 1ukc n ASN 341 Ca 0.00 -0.49 0.00 0.00 0.87 0.00 0.00 54.58 54.96 1ukc n ASN 341 Cb 0.22 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1ukc n ASN 341 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1ukc n PHE 342 N -1.02 0.00 -3.17 3.10 3.72 -0.52 -5.07 117.46 114.50 1ukc n PHE 342 Ca 0.14 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.17 1ukc n PHE 342 Cb 0.27 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1ukc n PHE 342 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ukc s ALA 343 N -1.07 3.48 0.36 4.37 0.00 -0.34 -4.97 121.76 123.58 1ukc s ALA 343 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1ukc s ALA 343 Cb 0.00 -2.74 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 1ukc s ALA 343 CO 0.00 0.36 1.38 0.98 0.00 0.00 0.00 175.76 178.48 1ukc n TYR 344 N 1.00 2.60 -1.50 0.00 9.36 -1.26 -4.84 117.16 122.52 1ukc n TYR 344 Ca -0.05 0.50 -0.42 0.00 3.32 0.00 0.00 57.90 61.26 1ukc n TYR 344 Cb 0.51 -2.47 -0.02 0.00 -0.63 0.00 0.00 39.34 36.73 1ukc n TYR 344 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ukc n ASN 345 N 0.66 3.80 -4.74 2.98 5.15 -1.26 -4.74 115.26 117.11 1ukc n ASN 345 Ca 0.03 -2.76 -0.41 0.00 -0.60 0.00 0.00 54.58 50.84 1ukc n ASN 345 Cb 0.37 -1.48 -0.03 0.00 -0.53 0.00 0.00 39.78 38.12 1ukc n ASN 345 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ukc s ALA 346 N 3.67 3.54 -0.98 5.20 0.00 -1.26 -4.61 121.76 127.33 1ukc s ALA 346 Ca 0.51 1.16 0.21 0.00 0.00 0.00 0.00 51.96 53.84 1ukc s ALA 346 Cb 0.14 -3.49 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 1ukc s ALA 346 CO -0.03 -0.58 0.90 0.43 0.00 0.00 0.00 175.76 176.49 1ukc n SER 347 N 2.40 0.96 -3.51 0.00 7.64 -1.26 -0.79 113.62 119.06 1ukc n SER 347 Ca 0.06 -0.96 -0.11 0.00 1.01 0.00 0.00 58.87 58.87 1ukc n SER 347 Cb 0.42 1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.61 1ukc n SER 347 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ukc s SER 348 N -3.04 -0.49 0.26 6.43 1.04 -1.26 -4.57 113.70 112.07 1ukc s SER 348 Ca 0.08 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1ukc s SER 348 Cb 0.16 0.61 0.55 0.00 0.10 0.00 0.00 66.02 67.45 1ukc s SER 348 CO 0.87 -1.02 1.74 0.28 0.98 0.00 0.00 173.24 176.08 1ukc h SER 349 N 2.03 0.40 -0.37 7.02 0.02 -1.97 -2.30 113.55 118.38 1ukc h SER 349 Ca -0.32 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1ukc h SER 349 Cb 1.30 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1ukc h SER 349 CO 0.36 0.13 0.01 0.00 -1.14 0.00 0.00 176.83 176.19 1ukc h ALA 350 N 1.59 1.16 -0.58 3.77 0.00 -1.99 -1.71 119.26 121.50 1ukc h ALA 350 Ca 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ukc h ALA 350 Cb 0.74 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ukc h ALA 350 CO -0.42 0.54 0.23 -0.44 0.00 0.00 0.00 179.25 179.16 1ukc h ASP 351 N 0.69 0.80 -0.05 0.00 3.32 -1.83 0.86 116.42 120.22 1ukc h ASP 351 Ca 0.14 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1ukc h ASP 351 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1ukc h ASP 351 CO 0.02 0.76 -0.08 0.58 -1.72 0.00 0.00 179.24 178.79 1ukc h VAL 352 N 0.79 0.77 -0.81 -1.35 2.07 -0.99 -1.08 116.25 115.65 1ukc h VAL 352 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1ukc h VAL 352 Cb 0.21 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1ukc h VAL 352 CO -0.01 0.00 0.45 0.28 0.02 0.00 0.00 177.57 178.30 1ukc h SER 353 N -0.12 1.01 -0.46 0.57 0.02 -1.08 -1.62 113.55 111.86 1ukc h SER 353 Ca 0.05 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1ukc h SER 353 Cb 0.19 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1ukc h SER 353 CO -0.12 0.81 0.09 -0.09 -1.14 0.00 0.00 176.83 176.37 1ukc h ARG 354 N 1.13 0.76 -0.18 3.45 2.43 -0.53 0.31 114.38 121.75 1ukc h ARG 354 Ca 0.29 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1ukc h ARG 354 Cb 0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1ukc h ARG 354 CO -0.05 0.77 -0.00 0.35 -1.51 0.00 0.00 179.97 179.53 1ukc h PHE 355 N 0.63 -0.02 -0.45 2.20 3.57 -0.92 -1.24 116.94 120.72 1ukc h PHE 355 Ca 0.14 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1ukc h PHE 355 Cb 0.37 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1ukc h PHE 355 CO 0.03 -0.03 -0.11 0.74 -2.23 0.00 0.00 178.31 176.70 1ukc h PHE 356 N 0.05 0.97 -0.79 0.41 -1.00 -1.08 -2.77 116.94 112.74 1ukc h PHE 356 Ca 0.08 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1ukc h PHE 356 Cb 0.11 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.39 1ukc h PHE 356 CO -0.17 0.97 0.49 -0.22 -1.61 0.00 0.00 178.31 177.77 1ukc h LYS 357 N 0.70 1.05 0.00 1.51 1.63 -0.87 0.20 116.57 120.79 1ukc h LYS 357 Ca 0.11 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ukc h LYS 357 Cb 0.65 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1ukc h LYS 357 CO 0.04 0.72 0.00 -0.91 -3.45 0.00 0.00 179.45 175.86 1ukc h ASN 358 N 1.08 0.00 0.00 4.20 2.35 -1.01 -2.14 115.58 120.06 1ukc h ASN 358 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1ukc h ASN 358 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1ukc h ASN 358 CO -0.06 0.00 -1.74 0.59 -1.65 0.00 0.00 177.43 174.57 1ukc n ASN 359 N -3.04 0.50 -3.30 5.81 3.02 -0.96 -4.37 115.26 112.91 1ukc n ASN 359 Ca 0.02 -0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 1ukc n ASN 359 Cb 0.37 1.76 -0.09 0.00 -0.61 0.00 0.00 39.78 41.21 1ukc n ASN 359 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ukc n TYR 360 N -2.07 -0.52 0.25 3.10 4.02 0.65 -4.62 117.16 117.98 1ukc n TYR 360 Ca -0.02 -3.46 0.11 0.00 -0.01 0.00 0.00 57.90 54.52 1ukc n TYR 360 Cb 0.48 -0.06 0.54 0.00 -0.02 0.00 0.00 39.34 40.28 1ukc n TYR 360 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1ukc n PRO 361 N 2.09 0.16 0.00 -0.72 -0.04 -0.81 -1.57 135.00 134.10 1ukc n PRO 361 Ca 0.25 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.40 1ukc n PRO 361 Cb 0.50 -1.91 0.60 0.00 -0.04 0.00 0.00 33.50 32.65 1ukc n PRO 361 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ukc n ASN 362 N -2.23 0.59 -4.76 3.54 3.02 -1.26 -4.87 115.26 109.29 1ukc n ASN 362 Ca 0.00 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 1ukc n ASN 362 Cb 0.11 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1ukc n ASN 362 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ukc s LEU 363 N -2.40 4.34 0.52 3.41 1.43 -0.61 -4.81 118.68 120.56 1ukc s LEU 363 Ca 0.31 2.95 -0.04 0.00 -1.03 0.00 0.00 54.13 56.32 1ukc s LEU 363 Cb 0.20 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 1ukc s LEU 363 CO 0.46 -0.86 0.80 0.42 0.23 0.00 0.00 176.35 177.40 1ukc s THR 364 N -0.52 4.08 0.27 5.49 -4.23 -1.26 -4.92 115.64 114.55 1ukc s THR 364 Ca 0.58 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1ukc s THR 364 Cb -0.46 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.08 1ukc s THR 364 CO 0.54 -0.52 1.84 -1.28 -0.54 0.00 0.00 174.62 174.66 1ukc h SER 365 N 0.10 0.92 -0.24 3.99 0.87 -1.99 0.15 113.55 117.36 1ukc h SER 365 Ca -0.46 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.01 1ukc h SER 365 Cb 1.24 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1ukc h SER 365 CO 0.60 0.52 -0.29 -0.61 -0.53 0.00 0.00 176.83 176.52 1ukc h GLN 366 N 1.01 0.73 -0.57 2.24 4.15 -2.00 -2.01 115.11 118.67 1ukc h GLN 366 Ca 0.47 -0.32 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1ukc h GLN 366 Cb 0.40 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1ukc h GLN 366 CO -0.24 0.93 -0.07 1.96 -1.93 0.00 0.00 178.83 179.48 1ukc h GLN 367 N 0.63 1.05 -0.43 1.69 4.20 -1.69 -1.97 115.11 118.59 1ukc h GLN 367 Ca 0.08 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1ukc h GLN 367 Cb 0.80 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1ukc h GLN 367 CO 0.07 1.07 0.13 -0.07 -0.67 0.00 0.00 178.83 179.35 1ukc h LEU 368 N 0.94 0.58 -0.34 1.46 3.38 -0.87 -0.91 115.31 119.54 1ukc h LEU 368 Ca 0.15 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1ukc h LEU 368 Cb 0.64 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ukc h LEU 368 CO 0.04 0.56 -0.08 0.78 0.09 0.00 0.00 178.44 179.83 1ukc h ASN 369 N 0.62 0.67 -0.99 -0.43 2.35 -1.15 -2.93 115.58 113.72 1ukc h ASN 369 Ca 0.15 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1ukc h ASN 369 Cb 0.20 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1ukc h ASN 369 CO -0.01 0.88 0.66 -0.33 -1.65 0.00 0.00 177.43 176.98 1ukc h GLU 370 N 0.45 1.29 -0.81 0.81 5.08 -0.89 -1.66 114.58 118.85 1ukc h GLU 370 Ca 0.09 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1ukc h GLU 370 Cb 0.59 -0.29 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1ukc h GLU 370 CO 0.03 0.85 0.49 0.82 -1.00 0.00 0.00 179.01 180.21 1ukc h ILE 371 N 1.33 1.01 0.00 3.13 2.04 -1.08 -1.21 117.51 122.73 1ukc h ILE 371 Ca 0.37 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1ukc h ILE 371 Cb -0.13 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1ukc h ILE 371 CO -0.09 0.16 -0.38 0.78 0.00 0.00 0.00 178.15 178.62 1ukc h ASN 372 N 0.89 0.00 0.22 1.72 2.35 -1.19 0.52 115.58 120.10 1ukc h ASN 372 Ca 0.36 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1ukc h ASN 372 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ukc h ASN 372 CO -0.18 0.38 -0.71 1.56 -1.65 0.00 0.00 177.43 176.84 1ukc h GLN 373 N 0.00 0.43 0.04 0.81 1.08 -0.44 -2.84 115.11 114.19 1ukc h GLN 373 Ca -0.00 -0.34 -0.23 0.00 -1.45 0.00 0.00 58.65 56.63 1ukc h GLN 373 Cb 0.71 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1ukc h GLN 373 CO 0.05 0.97 -1.02 0.28 -0.95 0.00 0.00 178.83 178.16 1ukc h VAL 374 N 0.30 1.47 -2.66 -0.54 2.07 -0.96 -3.38 116.25 112.56 1ukc h VAL 374 Ca -0.03 -2.72 -0.61 0.00 0.82 0.00 0.00 66.70 64.17 1ukc h VAL 374 Cb 1.28 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 1ukc h VAL 374 CO 0.12 0.80 -0.67 -1.22 0.02 0.00 0.00 177.57 176.62 1ukc n TYR 375 N -3.64 2.57 -1.41 1.57 4.02 0.15 -5.10 117.16 115.32 1ukc n TYR 375 Ca -0.06 -4.09 -0.30 0.00 -0.01 0.00 0.00 57.90 53.44 1ukc n TYR 375 Cb 0.89 -0.47 0.10 0.00 -0.02 0.00 0.00 39.34 39.84 1ukc n TYR 375 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1ukc s PRO 376 N -1.55 1.93 0.00 -0.72 0.02 -1.07 -4.61 135.00 129.00 1ukc s PRO 376 Ca 0.31 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1ukc s PRO 376 Cb 0.04 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1ukc s PRO 376 CO -0.12 -1.76 0.00 -2.13 -0.33 0.00 0.00 177.00 172.65 1ukc n ARG 377 N -3.55 0.00 0.00 5.54 0.63 -1.26 -4.45 116.66 113.56 1ukc n ARG 377 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ukc n ARG 377 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1ukc n ARG 377 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ukc n GLY 378 N -0.91 -1.87 3.53 5.14 0.00 -1.26 -3.21 105.19 106.62 1ukc n GLY 378 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1ukc n GLY 378 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ukc n LYS 379 N -2.40 0.97 -2.21 1.61 4.76 -1.26 -4.93 118.16 114.70 1ukc n LYS 379 Ca 0.00 0.35 -0.41 0.00 -2.87 0.00 0.00 58.31 55.37 1ukc n LYS 379 Cb 0.00 -1.74 -0.03 0.00 -1.84 0.00 0.00 35.03 31.42 1ukc n LYS 379 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ukc s LEU 380 N 0.72 4.41 -0.04 -0.35 2.96 -1.26 -4.60 118.68 120.52 1ukc s LEU 380 Ca 0.62 2.40 -0.01 0.00 -0.22 0.00 0.00 54.13 56.93 1ukc s LEU 380 Cb -0.63 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.42 1ukc s LEU 380 CO 0.58 -0.54 0.03 -0.76 -1.32 0.00 0.00 176.35 174.33 1ukc s LEU 381 N -0.01 3.68 0.40 -0.68 1.43 -1.26 -5.09 118.68 117.15 1ukc s LEU 381 Ca 0.57 0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.53 1ukc s LEU 381 Cb -0.37 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 1ukc s LEU 381 CO 0.38 0.32 1.31 -2.65 0.23 0.00 0.00 176.35 175.94 1ukc n PRO 382 N 1.68 2.07 -1.13 1.29 -0.02 -1.26 -2.91 135.00 134.72 1ukc n PRO 382 Ca -0.16 0.73 -0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1ukc n PRO 382 Cb 0.53 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1ukc n PRO 382 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ukc n ARG 383 N 0.20 -1.21 -4.23 -0.52 1.74 -1.26 -3.62 116.66 107.76 1ukc n ARG 383 Ca 0.05 0.55 -0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1ukc n ARG 383 Cb 0.39 -4.58 -0.10 0.00 -1.02 0.00 0.00 32.46 27.15 1ukc n ARG 383 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ukc s HIS 384 N -1.72 1.15 0.98 -1.55 3.76 -1.14 -5.05 115.29 111.71 1ukc s HIS 384 Ca 0.00 -0.85 -0.13 0.00 -0.15 0.00 0.00 55.06 53.93 1ukc s HIS 384 Cb 0.00 -0.62 0.17 0.00 1.11 0.00 0.00 32.58 33.24 1ukc s HIS 384 CO 0.00 -0.03 1.12 0.00 -0.85 0.00 0.00 174.74 174.98 1ukc s ALA 385 N -3.46 1.34 0.31 -1.40 0.00 -1.26 -4.72 121.76 112.57 1ukc s ALA 385 Ca 0.16 -0.53 0.32 0.00 0.00 0.00 0.00 51.96 51.92 1ukc s ALA 385 Cb 0.04 -3.04 1.52 0.00 0.00 0.00 0.00 23.12 21.64 1ukc s ALA 385 CO -0.00 -2.63 2.06 0.00 0.00 0.00 0.00 175.76 175.18 1ukc h ALA 386 N -1.76 1.10 -0.45 0.00 0.00 -1.82 -2.32 119.26 114.01 1ukc h ALA 386 Ca -0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ukc h ALA 386 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ukc h ALA 386 CO 0.57 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.58 1ukc n TYR 387 N -3.32 0.87 -0.19 0.00 4.02 0.03 -4.62 117.16 113.95 1ukc n TYR 387 Ca -0.01 -0.60 -0.10 0.00 -0.01 0.00 0.00 57.90 57.18 1ukc n TYR 387 Cb 0.26 -0.14 0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1ukc n TYR 387 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1ukc h PHE 388 N 2.75 1.09 -0.70 -0.72 3.57 -1.20 -1.65 116.94 120.08 1ukc h PHE 388 Ca 0.00 -0.21 0.14 0.00 3.53 0.00 0.00 57.97 61.43 1ukc h PHE 388 Cb 1.09 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1ukc h PHE 388 CO 0.45 1.00 0.22 0.78 -2.23 0.00 0.00 178.31 178.53 1ukc h GLY 389 N 0.87 1.00 0.73 2.40 0.00 -1.81 0.16 103.07 106.42 1ukc h GLY 389 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ukc h GLY 389 CO 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 176.54 176.45 1ukc h ALA 390 N 1.54 0.09 -0.33 3.60 0.00 -1.46 -1.19 119.26 121.51 1ukc h ALA 390 Ca 0.38 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ukc h ALA 390 Cb 0.59 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1ukc h ALA 390 CO -0.42 -0.23 -0.01 1.03 0.00 0.00 0.00 179.25 179.62 1ukc h SER 391 N -0.18 -0.16 -0.20 0.00 0.87 -0.80 -0.57 113.55 112.52 1ukc h SER 391 Ca 0.02 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1ukc h SER 391 Cb 0.35 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ukc h SER 391 CO 0.00 -0.04 -0.00 -1.28 -0.53 0.00 0.00 176.83 174.98 1ukc h SER 392 N 0.08 0.34 -0.25 6.23 0.87 -0.65 -0.98 113.55 119.18 1ukc h SER 392 Ca 0.16 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1ukc h SER 392 Cb 0.22 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1ukc h SER 392 CO -0.28 0.57 0.12 0.00 -0.53 0.00 0.00 176.83 176.71 1ukc h ALA 393 N 0.78 0.32 0.09 6.23 0.00 -1.09 0.39 119.26 125.99 1ukc h ALA 393 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ukc h ALA 393 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ukc h ALA 393 CO 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.10 1ukc h ALA 394 N 0.98 -0.13 -0.49 0.00 0.00 -1.07 -1.62 119.26 116.94 1ukc h ALA 394 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ukc h ALA 394 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ukc h ALA 394 CO -0.01 -0.56 -0.20 -0.92 0.00 0.00 0.00 179.25 177.56 1ukc h TYR 395 N -0.15 1.14 -0.49 0.00 3.20 -1.00 -0.15 116.97 119.52 1ukc h TYR 395 Ca -0.01 -0.27 0.07 0.00 3.14 0.00 0.00 58.73 61.65 1ukc h TYR 395 Cb 0.12 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 1ukc h TYR 395 CO -0.06 1.10 0.17 0.78 -1.64 0.00 0.00 178.16 178.50 1ukc h GLY 396 N 0.89 0.65 0.83 1.82 0.00 -0.16 -1.62 103.07 105.47 1ukc h GLY 396 Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1ukc h GLY 396 CO 0.06 0.01 -0.20 -0.55 0.00 0.00 0.00 176.54 175.86 1ukc h ASP 397 N 0.34 0.52 -0.35 0.19 3.32 -1.07 -1.70 116.42 117.67 1ukc h ASP 397 Ca 0.24 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 1ukc h ASP 397 Cb 0.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ukc h ASP 397 CO -0.24 0.89 0.05 0.00 -1.72 0.00 0.00 179.24 178.22 1ukc h ALA 398 N 0.64 1.28 0.00 3.45 0.00 -0.82 -1.13 119.26 122.68 1ukc h ALA 398 Ca 0.03 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1ukc h ALA 398 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ukc h ALA 398 CO 0.05 0.50 -1.70 2.41 0.00 0.00 0.00 179.25 180.50 1ukc n THR 399 N -4.27 0.41 0.04 0.00 -1.04 -0.63 -4.67 114.28 104.12 1ukc n THR 399 Ca 0.03 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1ukc n THR 399 Cb 0.24 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ukc n THR 399 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ukc n PHE 400 N -2.20 -0.19 -0.02 -1.42 3.01 -0.81 -0.64 117.46 115.19 1ukc n PHE 400 Ca -0.11 0.03 -0.16 0.00 1.01 0.00 0.00 57.45 58.22 1ukc n PHE 400 Cb 0.62 0.07 -0.09 0.00 -0.01 0.00 0.00 39.48 40.06 1ukc n PHE 400 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ukc h THR 401 N 0.00 1.40 -0.49 4.37 2.02 -1.40 -0.92 112.91 117.89 1ukc h THR 401 Ca 0.00 -1.84 -0.06 0.00 0.77 0.00 0.00 66.41 65.28 1ukc h THR 401 Cb 0.00 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1ukc h THR 401 CO 0.00 0.54 0.09 0.00 0.37 0.00 0.00 175.52 176.52 1ukc h PRO 403 N 0.68 0.23 -0.37 0.00 0.11 -1.73 0.24 132.00 131.16 1ukc h PRO 403 Ca 0.15 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.28 1ukc h PRO 403 Cb 0.38 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1ukc h PRO 403 CO 0.01 0.15 0.17 0.78 -0.21 0.00 0.00 178.00 178.90 1ukc h GLY 404 N 0.24 0.50 1.68 -0.55 0.00 -0.66 -0.42 103.07 103.86 1ukc h GLY 404 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1ukc h GLY 404 CO -0.38 0.08 0.06 3.43 0.00 0.00 0.00 176.54 179.72 1ukc h ASN 405 N 0.35 0.37 -0.33 0.19 2.35 -0.71 -0.97 115.58 116.84 1ukc h ASN 405 Ca 0.16 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1ukc h ASN 405 Cb 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ukc h ASN 405 CO -0.13 0.39 -0.28 -0.74 -1.65 0.00 0.00 177.43 175.02 1ukc h HIS 406 N 0.40 0.92 -0.11 1.19 2.76 -0.33 -0.98 115.15 119.00 1ukc h HIS 406 Ca 0.10 -0.26 0.01 0.00 -2.20 0.00 0.00 60.37 58.01 1ukc h HIS 406 Cb 0.18 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1ukc h HIS 406 CO 0.01 1.02 0.03 0.28 -1.30 0.00 0.00 177.93 177.97 1ukc h VAL 407 N 0.55 0.97 0.02 5.26 2.07 -0.69 -1.23 116.25 123.19 1ukc h VAL 407 Ca 0.06 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1ukc h VAL 407 Cb 0.85 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1ukc h VAL 407 CO 0.07 0.01 -0.16 0.00 0.02 0.00 0.00 177.57 177.51 1ukc h ALA 408 N 1.07 -0.22 -0.12 1.67 0.00 -1.07 -1.12 119.26 119.47 1ukc h ALA 408 Ca 0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1ukc h ALA 408 Cb 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ukc h ALA 408 CO -0.05 -0.66 -0.39 0.66 0.00 0.00 0.00 179.25 178.80 1ukc h SER 409 N -0.28 0.27 0.03 0.00 4.64 -1.13 -1.27 113.55 115.82 1ukc h SER 409 Ca 0.05 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ukc h SER 409 Cb 0.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ukc h SER 409 CO -0.14 0.65 -0.01 0.28 -0.87 0.00 0.00 176.83 176.73 1ukc h SER 410 N 0.22 -0.03 -0.51 4.97 0.02 -1.05 -2.78 113.55 114.40 1ukc h SER 410 Ca 0.02 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1ukc h SER 410 Cb 0.80 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1ukc h SER 410 CO 0.06 0.34 0.24 0.00 -1.14 0.00 0.00 176.83 176.33 1ukc h ALA 411 N 0.55 1.40 0.00 3.77 0.00 -1.16 -2.81 119.26 121.01 1ukc h ALA 411 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ukc h ALA 411 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ukc h ALA 411 CO 0.01 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1ukc h ALA 412 N 1.50 1.14 -0.90 0.00 0.00 -1.15 -0.55 119.26 119.29 1ukc h ALA 412 Ca 0.19 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1ukc h ALA 412 Cb 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1ukc h ALA 412 CO -0.02 0.24 0.58 0.00 0.00 0.00 0.00 179.25 180.04 1ukc h ARG 413 N 0.00 0.70 0.00 0.00 3.08 -1.21 -2.62 114.38 114.33 1ukc h ARG 413 Ca -0.00 -0.04 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 1ukc h ARG 413 Cb 0.56 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1ukc h ARG 413 CO 0.02 0.46 -2.28 0.66 -1.07 0.00 0.00 179.97 177.77 1ukc n TYR 414 N -4.57 0.00 -3.29 3.04 4.02 -0.89 -4.71 117.16 110.77 1ukc n TYR 414 Ca 0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.81 1ukc n TYR 414 Cb 0.46 -0.89 -0.07 0.00 -0.02 0.00 0.00 39.34 38.81 1ukc n TYR 414 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ukc n LEU 415 N -2.90 2.41 0.28 7.72 4.77 -0.27 -4.95 117.00 124.07 1ukc n LEU 415 Ca -0.35 -5.18 0.14 0.00 -0.03 0.00 0.00 56.01 50.59 1ukc n LEU 415 Cb 1.02 -0.13 0.82 0.00 -2.33 0.00 0.00 43.42 42.81 1ukc n LEU 415 CO 0.32 2.10 1.06 1.55 -1.33 0.00 0.00 177.39 181.09 1ukc h PRO 416 N 3.95 0.00 -0.01 3.23 0.13 -1.70 -0.87 132.00 136.72 1ukc h PRO 416 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ukc h PRO 416 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ukc h PRO 416 CO 0.69 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 1ukc n ASN 417 N -3.83 1.23 -1.42 1.44 3.02 -1.26 -4.19 115.26 110.25 1ukc n ASN 417 Ca -0.03 -1.41 0.03 0.00 -0.03 0.00 0.00 54.58 53.15 1ukc n ASN 417 Cb 0.14 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.38 1ukc n ASN 417 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ukc n SER 418 N -0.04 1.35 -3.88 6.41 7.64 -0.34 -4.96 113.62 119.81 1ukc n SER 418 Ca 0.20 -2.51 -0.27 0.00 1.01 0.00 0.00 58.87 57.29 1ukc n SER 418 Cb 0.31 -0.37 -0.17 0.00 -1.01 0.00 0.00 64.21 62.97 1ukc n SER 418 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ukc s VAL 419 N -1.26 0.99 -0.08 0.44 1.01 -1.19 -1.75 120.40 118.56 1ukc s VAL 419 Ca 0.35 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1ukc s VAL 419 Cb 0.38 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1ukc s VAL 419 CO -0.13 0.20 -0.24 0.26 0.00 0.00 0.00 175.10 175.19 1ukc s TRP 420 N 1.70 2.52 0.08 5.22 0.51 -0.67 -0.70 118.94 127.60 1ukc s TRP 420 Ca 0.02 -0.89 0.07 0.00 -2.12 0.00 0.00 56.10 53.18 1ukc s TRP 420 Cb -0.14 -1.67 -0.04 0.00 -0.81 0.00 0.00 33.47 30.82 1ukc s TRP 420 CO -0.08 -0.32 -0.15 1.21 -0.51 0.00 0.00 176.95 177.10 1ukc s ASN 421 N 0.12 4.06 0.09 2.95 2.47 -1.25 -0.75 114.94 122.62 1ukc s ASN 421 Ca -0.12 -0.43 0.03 0.00 0.42 0.00 0.00 52.86 52.75 1ukc s ASN 421 Cb -0.16 -0.69 -0.04 0.00 -1.45 0.00 0.00 41.25 38.91 1ukc s ASN 421 CO 0.07 0.21 -0.08 -0.72 -3.72 0.00 0.00 177.10 172.86 1ukc s TYR 422 N -1.08 0.92 -0.16 0.43 -0.85 -0.52 -1.23 117.35 114.86 1ukc s TYR 422 Ca 0.18 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.99 1ukc s TYR 422 Cb -0.11 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.73 1ukc s TYR 422 CO 0.09 -0.08 -0.18 0.50 -1.52 0.00 0.00 175.55 174.36 1ukc s ARG 423 N -3.04 2.72 -0.25 -3.49 3.52 0.13 -2.23 118.95 116.31 1ukc s ARG 423 Ca 0.06 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1ukc s ARG 423 Cb -0.01 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1ukc s ARG 423 CO -0.02 -0.20 1.09 0.08 -0.81 0.00 0.00 175.30 175.44 1ukc s VAL 424 N 1.31 4.57 -0.38 7.11 1.01 0.61 -0.72 120.40 133.91 1ukc s VAL 424 Ca 0.04 1.87 0.10 0.00 0.00 0.00 0.00 61.98 63.98 1ukc s VAL 424 Cb -0.13 -4.29 0.44 0.00 0.00 0.00 0.00 36.38 32.40 1ukc s VAL 424 CO -0.11 -0.26 1.08 -3.20 0.00 0.00 0.00 175.10 172.61 1ukc n ASN 425 N 6.54 3.73 -4.63 3.32 5.15 0.56 -1.93 115.26 127.99 1ukc n ASN 425 Ca 0.12 -3.36 -0.43 0.00 -0.60 0.00 0.00 54.58 50.31 1ukc n ASN 425 Cb 0.46 -0.46 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1ukc n ASN 425 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ukc s ILE 426 N -4.69 4.35 -0.24 -1.44 1.01 -1.22 -4.55 121.20 114.41 1ukc s ILE 426 Ca 0.42 1.54 -0.16 0.00 0.00 0.00 0.00 60.65 62.45 1ukc s ILE 426 Cb 0.41 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1ukc s ILE 426 CO -0.09 -0.52 0.41 -0.63 0.00 0.00 0.00 174.94 174.11 1ukc s ILE 427 N 3.96 5.16 -0.14 2.92 -1.09 -1.26 -4.75 121.20 126.01 1ukc s ILE 427 Ca 0.50 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1ukc s ILE 427 Cb -0.13 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1ukc s ILE 427 CO 0.19 0.18 -0.12 -0.62 -1.23 0.00 0.00 174.94 173.34 1ukc s ASP 428 N 1.42 2.54 0.31 3.58 -1.08 -1.26 -4.94 116.67 117.23 1ukc s ASP 428 Ca 0.17 -0.44 0.07 0.00 -0.52 0.00 0.00 52.55 51.84 1ukc s ASP 428 Cb -0.15 -1.09 0.78 0.00 -1.46 0.00 0.00 42.92 41.00 1ukc s ASP 428 CO 0.09 -0.07 1.75 -0.33 0.52 0.00 0.00 175.17 177.13 1ukc h GLU 429 N 8.06 0.65 -0.01 4.34 5.08 -1.97 -1.04 114.58 129.69 1ukc h GLU 429 Ca -0.36 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.80 1ukc h GLU 429 Cb 1.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1ukc h GLU 429 CO 0.50 0.43 -0.74 0.66 -1.00 0.00 0.00 179.01 178.85 1ukc h SER 430 N 0.67 0.14 -0.39 1.42 4.64 -1.98 -0.37 113.55 117.67 1ukc h SER 430 Ca 0.60 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1ukc h SER 430 Cb 1.02 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1ukc h SER 430 CO -0.43 0.83 0.24 0.78 -0.87 0.00 0.00 176.83 177.38 1ukc h ASN 431 N 0.07 0.47 -0.12 4.97 2.35 -1.54 -1.16 115.58 120.63 1ukc h ASN 431 Ca -0.02 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ukc h ASN 431 Cb 1.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 1ukc h ASN 431 CO 0.11 0.39 0.06 0.40 -1.65 0.00 0.00 177.43 176.73 1ukc h ILE 432 N 0.52 1.11 0.00 2.81 1.08 -1.12 -1.61 117.51 120.29 1ukc h ILE 432 Ca 0.14 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1ukc h ILE 432 Cb 0.00 1.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1ukc h ILE 432 CO -0.03 0.10 -0.08 0.00 -0.69 0.00 0.00 178.15 177.46 1ukc h ALA 433 N 0.94 1.50 -0.00 1.87 0.00 -1.03 -1.19 119.26 121.35 1ukc h ALA 433 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ukc h ALA 433 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ukc h ALA 433 CO -0.01 0.09 -0.04 0.41 0.00 0.00 0.00 179.25 179.71 1ukc n GLY 434 N -1.05 -0.97 2.14 0.00 0.00 -0.44 -4.69 105.19 100.18 1ukc n GLY 434 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1ukc n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 435 N 1.19 0.58 0.78 -0.02 0.00 -0.45 -4.73 105.19 102.54 1ukc n GLY 435 Ca 0.18 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1ukc n GLY 435 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ukc n ILE 436 N -2.86 0.44 0.00 -0.61 -5.35 -0.64 -4.82 119.36 105.51 1ukc n ILE 436 Ca -0.02 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1ukc n ILE 436 Cb 0.11 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1ukc n ILE 436 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ukc n GLY 437 N 0.96 3.79 3.18 3.28 0.00 -1.22 -3.39 105.19 111.79 1ukc n GLY 437 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ukc n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 438 N 0.00 4.06 0.74 1.61 1.01 -1.26 -4.28 120.40 122.27 1ukc s VAL 438 Ca 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 61.98 59.77 1ukc s VAL 438 Cb 0.00 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.78 1ukc s VAL 438 CO 0.00 -0.80 1.08 -2.16 0.00 0.00 0.00 175.10 173.21 1ukc s PRO 439 N 0.94 2.18 -0.16 2.72 0.04 -1.22 -1.47 135.00 138.04 1ukc s PRO 439 Ca 0.09 -0.07 -0.36 0.00 0.04 0.00 0.00 61.00 60.71 1ukc s PRO 439 Cb -0.23 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.10 1ukc s PRO 439 CO -0.03 -1.34 1.85 1.58 0.04 0.00 0.00 177.00 179.10 1ukc n HIS 440 N -3.06 2.24 -1.54 0.56 -0.00 -1.25 -1.91 115.22 110.25 1ukc n HIS 440 Ca 0.08 0.17 -0.16 0.00 -0.00 0.00 0.00 57.72 57.80 1ukc n HIS 440 Cb 0.60 -2.60 -0.06 0.00 -0.00 0.00 0.00 29.99 27.93 1ukc n HIS 440 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1ukc n THR 441 N 5.02 -0.07 0.26 3.57 -2.24 -1.26 -4.90 114.28 114.65 1ukc n THR 441 Ca 0.24 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.19 1ukc n THR 441 Cb 0.24 -1.72 0.90 0.00 -2.10 0.00 0.00 70.33 67.65 1ukc n THR 441 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ukc h PHE 442 N 0.00 0.00 0.00 4.78 3.57 -1.75 -2.15 116.94 121.39 1ukc h PHE 442 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1ukc h PHE 442 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1ukc h PHE 442 CO 0.45 0.00 0.00 -0.85 -2.23 0.00 0.00 178.31 175.68 1ukc n GLU 443 N -3.65 0.69 -0.21 1.11 0.00 -1.26 -4.37 120.64 112.95 1ukc n GLU 443 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ukc n GLU 443 Cb 0.23 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.28 1ukc n GLU 443 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ukc h LEU 444 N 0.00 0.32 -2.16 -1.84 3.38 -1.80 0.17 115.31 113.39 1ukc h LEU 444 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ukc h LEU 444 Cb 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ukc h LEU 444 CO 0.00 0.20 -0.07 -0.65 0.09 0.00 0.00 178.44 178.01 1ukc h PRO 445 N 0.48 0.00 -0.00 1.13 0.11 -1.84 -1.80 132.00 130.08 1ukc h PRO 445 Ca 0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.27 1ukc h PRO 445 Cb 0.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1ukc h PRO 445 CO -0.27 0.07 -0.68 0.00 -0.21 0.00 0.00 178.00 176.91 1ukc h ALA 446 N 1.93 0.88 0.02 -0.75 0.00 -0.99 0.28 119.26 120.63 1ukc h ALA 446 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1ukc h ALA 446 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ukc h ALA 446 CO 0.01 0.84 -0.16 0.82 0.00 0.00 0.00 179.25 180.76 1ukc h ILE 447 N 0.01 1.66 0.00 0.00 2.04 -0.80 -2.81 117.51 117.61 1ukc h ILE 447 Ca -0.01 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.71 1ukc h ILE 447 Cb 1.20 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.37 1ukc h ILE 447 CO 0.09 0.57 -1.00 0.49 0.00 0.00 0.00 178.15 178.30 1ukc n PHE 448 N -4.55 0.00 0.00 1.37 3.01 -0.73 -4.47 117.46 112.10 1ukc n PHE 448 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1ukc n PHE 448 Cb 0.50 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1ukc n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukc n GLY 449 N 1.49 2.22 3.69 1.37 0.00 0.99 -4.38 105.19 110.57 1ukc n GLY 449 Ca 0.04 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.91 1ukc n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc n ALA 450 N 1.90 1.83 0.00 4.61 0.00 -1.22 -1.93 120.51 125.71 1ukc n ALA 450 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ukc n ALA 450 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1ukc n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukc n GLY 451 N 3.75 3.11 0.25 0.00 0.00 -1.26 -4.89 105.19 106.15 1ukc n GLY 451 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ukc n GLY 451 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukc h SER 452 N 0.00 0.00 -0.48 1.61 0.02 -1.65 -3.06 113.55 110.00 1ukc h SER 452 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ukc h SER 452 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ukc h SER 452 CO 0.00 0.14 0.00 0.35 -1.14 0.00 0.00 176.83 176.18 1ukc n THR 453 N -3.35 0.92 0.00 -2.27 -2.24 -1.26 -1.51 114.28 104.57 1ukc n THR 453 Ca -0.00 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1ukc n THR 453 Cb 0.36 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1ukc n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukc n GLY 454 N 1.00 3.19 3.70 3.38 0.00 -1.16 -5.02 105.19 110.29 1ukc n GLY 454 Ca 0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1ukc n GLY 454 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukc s THR 455 N -2.27 3.02 0.10 2.61 2.01 -1.26 -4.01 115.64 115.84 1ukc s THR 455 Ca 0.00 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.41 1ukc s THR 455 Cb 0.00 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1ukc s THR 455 CO 0.00 0.02 0.64 -0.76 -0.69 0.00 0.00 174.62 173.84 1ukc s LEU 456 N 1.82 4.55 0.51 4.42 1.43 -1.26 -5.03 118.68 125.12 1ukc s LEU 456 Ca 0.70 1.40 -0.21 0.00 -1.03 0.00 0.00 54.13 54.98 1ukc s LEU 456 Cb -0.40 -3.04 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 1ukc s LEU 456 CO 0.31 0.25 0.91 -0.24 0.23 0.00 0.00 176.35 177.80 1ukc n SER 457 N 1.69 0.68 0.29 2.29 2.88 -1.26 -4.88 113.62 115.31 1ukc n SER 457 Ca -0.09 0.90 0.17 0.00 -1.33 0.00 0.00 58.87 58.53 1ukc n SER 457 Cb 0.50 -1.33 0.83 0.00 -0.75 0.00 0.00 64.21 63.45 1ukc n SER 457 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ukc h SER 458 N 0.95 0.00 -0.64 -3.46 4.64 -2.06 -1.50 113.55 111.49 1ukc h SER 458 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ukc h SER 458 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1ukc h SER 458 CO 0.53 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1ukc n ASP 459 N -3.23 3.60 -4.64 4.97 5.75 -1.26 -4.99 116.55 116.74 1ukc n ASP 459 Ca -0.01 -2.06 -0.48 0.00 -0.01 0.00 0.00 54.79 52.22 1ukc n ASP 459 Cb 0.24 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 39.83 1ukc n ASP 459 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ukc n SER 460 N 1.33 2.61 0.22 -1.12 2.88 -0.57 -4.85 113.62 114.11 1ukc n SER 460 Ca 0.22 1.09 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 1ukc n SER 460 Cb 0.59 -1.34 0.77 0.00 -0.75 0.00 0.00 64.21 63.48 1ukc n SER 460 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ukc h SER 461 N 5.67 0.00 0.81 -3.46 4.64 -1.94 -1.91 113.55 117.37 1ukc h SER 461 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ukc h SER 461 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ukc h SER 461 CO 0.86 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 178.70 1ukc h TYR 462 N 0.00 0.00 0.00 4.77 -1.99 -1.89 0.59 116.97 118.45 1ukc h TYR 462 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ukc h TYR 462 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1ukc h TYR 462 CO 0.00 0.00 -0.78 1.28 -0.00 0.00 0.00 178.16 178.66 1ukc n LEU 463 N -2.70 0.64 0.00 3.88 4.77 -0.72 -3.60 117.00 119.28 1ukc n LEU 463 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1ukc n LEU 463 Cb 0.25 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ukc n LEU 463 CO 0.23 0.11 0.00 0.35 -1.33 0.00 0.00 177.39 176.75 1ukc n THR 464 N -1.70 0.00 0.49 -5.08 -2.24 -0.69 -4.85 114.28 100.20 1ukc n THR 464 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1ukc n THR 464 Cb 0.38 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.07 1ukc n THR 464 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc n TYR 465 N 0.00 0.87 -0.37 4.78 0.18 -1.14 -2.30 117.16 119.18 1ukc n TYR 465 Ca 0.00 0.30 0.08 0.00 1.88 0.00 0.00 57.90 60.16 1ukc n TYR 465 Cb 0.00 -0.99 0.24 0.00 -0.38 0.00 0.00 39.34 38.21 1ukc n TYR 465 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1ukc n ASN 466 N -2.26 3.58 -0.20 9.48 3.02 0.11 -4.63 115.26 124.37 1ukc n ASN 466 Ca 0.03 -2.16 0.01 0.00 -0.03 0.00 0.00 54.58 52.44 1ukc n ASN 466 Cb 0.31 -0.38 0.27 0.00 -0.61 0.00 0.00 39.78 39.37 1ukc n ASN 466 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukc h ALA 467 N 2.93 1.51 0.00 5.41 0.00 -1.46 -2.94 119.26 124.70 1ukc h ALA 467 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ukc h ALA 467 Cb 0.98 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ukc h ALA 467 CO 0.06 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1ukc h ALA 468 N 1.55 1.00 0.00 0.00 0.00 -1.82 -2.57 119.26 117.43 1ukc h ALA 468 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ukc h ALA 468 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ukc h ALA 468 CO -0.07 0.00 0.00 0.97 0.00 0.00 0.00 179.25 180.15 1ukc h ILE 469 N 0.00 0.00 0.54 0.00 6.09 -1.87 -3.35 117.51 118.92 1ukc h ILE 469 Ca 0.00 -0.57 -0.03 0.00 -1.37 0.00 0.00 64.86 62.90 1ukc h ILE 469 Cb 0.45 1.50 0.01 0.00 0.47 0.00 0.00 36.82 39.25 1ukc h ILE 469 CO 0.00 0.00 -0.26 0.40 -3.07 0.00 0.00 178.15 175.22 1ukc h ILE 470 N 0.00 0.34 -0.34 2.19 2.04 -1.61 -0.41 117.51 119.72 1ukc h ILE 470 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1ukc h ILE 470 Cb 0.65 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1ukc h ILE 470 CO 0.00 0.05 0.17 -0.65 0.00 0.00 0.00 178.15 177.71 1ukc h PRO 471 N -0.99 0.47 0.55 2.37 0.11 -1.76 -0.15 132.00 132.60 1ukc h PRO 471 Ca -0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1ukc h PRO 471 Cb 0.63 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1ukc h PRO 471 CO 0.12 0.37 -0.26 0.28 -0.21 0.00 0.00 178.00 178.29 1ukc h VAL 472 N 0.48 0.41 -0.17 3.15 2.07 -1.67 -2.44 116.25 118.09 1ukc h VAL 472 Ca 0.12 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ukc h VAL 472 Cb 0.05 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ukc h VAL 472 CO -0.02 0.03 0.10 0.74 0.02 0.00 0.00 177.57 178.44 1ukc h THR 473 N -0.88 1.10 -0.63 2.57 2.02 -0.80 -2.87 112.91 113.42 1ukc h THR 473 Ca -0.08 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1ukc h THR 473 Cb 0.62 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1ukc h THR 473 CO 0.12 0.09 0.40 -0.03 0.37 0.00 0.00 175.52 176.48 1ukc h MET 474 N 0.18 0.79 0.00 6.66 -1.53 -0.75 -2.30 114.93 117.98 1ukc h MET 474 Ca 0.06 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.19 1ukc h MET 474 Cb 0.06 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 30.92 1ukc h MET 474 CO -0.01 0.52 -0.42 0.45 0.14 0.00 0.00 176.91 177.59 1ukc h HIS 475 N 0.81 0.00 -0.41 1.39 3.86 -1.40 0.22 115.15 119.62 1ukc h HIS 475 Ca 0.24 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1ukc h HIS 475 Cb -0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1ukc h HIS 475 CO -0.04 0.42 0.10 1.88 0.86 0.00 0.00 177.93 181.14 1ukc h TYR 476 N 0.00 0.70 -0.27 2.45 0.05 -1.25 -0.26 116.97 118.38 1ukc h TYR 476 Ca -0.00 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.58 1ukc h TYR 476 Cb 0.99 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 1ukc h TYR 476 CO 0.00 0.66 -0.26 0.74 -1.05 0.00 0.00 178.16 178.25 1ukc h PHE 477 N 0.53 0.79 -0.28 4.88 -1.00 -0.91 -1.81 116.94 119.13 1ukc h PHE 477 Ca 0.13 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 1ukc h PHE 477 Cb 0.32 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1ukc h PHE 477 CO 0.02 0.96 0.16 0.82 -1.61 0.00 0.00 178.31 178.66 1ukc h ILE 478 N 0.38 1.12 -0.92 -0.55 2.04 -0.59 -1.33 117.51 117.66 1ukc h ILE 478 Ca 0.04 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1ukc h ILE 478 Cb 0.83 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1ukc h ILE 478 CO 0.07 0.11 0.59 -1.28 0.00 0.00 0.00 178.15 177.65 1ukc h SER 479 N 0.35 0.97 -0.42 1.72 0.87 -0.92 -0.13 113.55 115.99 1ukc h SER 479 Ca 0.10 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1ukc h SER 479 Cb 0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1ukc h SER 479 CO -0.02 0.65 0.10 0.15 -0.53 0.00 0.00 176.83 177.19 1ukc h PHE 480 N 1.13 0.71 -0.63 2.24 3.57 -1.08 0.73 116.94 123.61 1ukc h PHE 480 Ca 0.38 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1ukc h PHE 480 Cb 0.07 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1ukc h PHE 480 CO -0.01 0.67 0.34 0.28 -2.23 0.00 0.00 178.31 177.35 1ukc h VAL 481 N 0.54 0.95 -0.07 1.41 2.07 -0.41 0.40 116.25 121.15 1ukc h VAL 481 Ca 0.13 -0.22 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 1ukc h VAL 481 Cb 0.31 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1ukc h VAL 481 CO 0.00 0.11 -0.92 1.56 0.02 0.00 0.00 177.57 178.35 1ukc h GLN 482 N 0.63 0.75 0.00 1.57 4.20 -0.81 -3.40 115.11 118.04 1ukc h GLN 482 Ca 0.28 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1ukc h GLN 482 Cb 0.19 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ukc h GLN 482 CO -0.19 1.30 0.00 0.25 -0.67 0.00 0.00 178.83 179.52 1ukc n THR 483 N -3.90 0.01 -2.05 -0.54 -2.24 0.23 -4.96 114.28 100.83 1ukc n THR 483 Ca -0.09 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1ukc n THR 483 Cb 0.82 1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 70.45 1ukc n THR 483 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ukc n LEU 484 N -0.00 -1.62 -3.66 3.22 4.77 0.14 -4.98 117.00 114.86 1ukc n LEU 484 Ca 0.00 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1ukc n LEU 484 Cb 0.11 -2.54 -0.10 0.00 -2.33 0.00 0.00 43.42 38.56 1ukc n LEU 484 CO 0.00 -0.44 0.03 0.21 -1.33 0.00 0.00 177.39 175.86 1ukc s ASN 485 N -2.42 -0.28 0.32 -1.43 3.84 -1.26 -4.92 114.94 108.79 1ukc s ASN 485 Ca 0.00 0.98 0.25 0.00 0.21 0.00 0.00 52.86 54.31 1ukc s ASN 485 Cb 0.00 1.28 1.08 0.00 -0.55 0.00 0.00 41.25 43.06 1ukc s ASN 485 CO 0.00 -0.23 1.76 1.55 -2.79 0.00 0.00 177.10 177.40 1ukc h PRO 486 N 8.06 0.00 0.04 0.43 0.13 -1.82 -3.13 132.00 135.71 1ukc h PRO 486 Ca -0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.72 1ukc h PRO 486 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1ukc h PRO 486 CO 0.14 0.00 -1.08 -0.91 -0.23 0.00 0.00 178.00 175.92 1ukc h ASN 487 N 0.00 0.13 -0.41 1.44 2.35 -1.89 -3.32 115.58 113.88 1ukc h ASN 487 Ca 0.00 -0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1ukc h ASN 487 Cb 0.36 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1ukc h ASN 487 CO 0.00 1.11 -0.10 0.74 -1.65 0.00 0.00 177.43 177.52 1ukc h THR 488 N 0.02 0.59 -0.84 2.81 2.02 -1.88 -2.80 112.91 112.84 1ukc h THR 488 Ca -0.05 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.59 1ukc h THR 488 Cb 1.83 0.59 -0.43 0.00 -1.74 0.00 0.00 68.15 68.40 1ukc h THR 488 CO 0.15 0.00 -0.82 -1.22 0.37 0.00 0.00 175.52 174.00 1ukc n TYR 489 N -5.31 2.79 -1.47 3.16 0.53 -1.26 -5.07 117.16 110.53 1ukc n TYR 489 Ca 0.02 -2.33 -0.32 0.00 -1.02 0.00 0.00 57.90 54.25 1ukc n TYR 489 Cb 0.22 -0.30 0.07 0.00 -1.03 0.00 0.00 39.34 38.30 1ukc n TYR 489 CO 0.00 0.00 0.00 -0.98 -1.02 0.00 0.00 176.86 174.86 1ukc s ARG 490 N -3.60 2.50 0.55 -0.72 1.70 -1.06 -4.65 118.95 113.67 1ukc s ARG 490 Ca 0.50 1.24 -0.21 0.00 -0.47 0.00 0.00 55.73 56.78 1ukc s ARG 490 Cb 0.41 -1.92 -0.05 0.00 -0.57 0.00 0.00 34.95 32.81 1ukc s ARG 490 CO 0.01 -1.46 1.26 0.98 -1.08 0.00 0.00 175.30 175.00 1ukc n TYR 491 N -3.08 1.94 -0.33 5.89 9.36 -1.26 -4.87 117.16 124.80 1ukc n TYR 491 Ca 0.09 0.44 0.17 0.00 3.32 0.00 0.00 57.90 61.92 1ukc n TYR 491 Cb 0.53 -2.31 0.36 0.00 -0.63 0.00 0.00 39.34 37.29 1ukc n TYR 491 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ukc h ALA 492 N 1.23 1.66 -0.30 2.98 0.00 -1.95 -0.10 119.26 122.78 1ukc h ALA 492 Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ukc h ALA 492 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ukc h ALA 492 CO 0.56 -0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.71 1ukc n THR 493 N -4.98 1.90 -2.38 0.00 -2.24 -1.26 -4.98 114.28 100.34 1ukc n THR 493 Ca 0.26 -1.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.04 1ukc n THR 493 Cb 0.74 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1ukc n THR 493 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc s ALA 494 N -2.26 3.43 0.78 6.98 0.00 -0.05 -5.03 121.76 125.61 1ukc s ALA 494 Ca 0.37 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 1ukc s ALA 494 Cb 0.27 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1ukc s ALA 494 CO 0.11 -0.29 1.08 -1.25 0.00 0.00 0.00 175.76 175.41 1ukc s PRO 495 N -1.56 2.22 0.29 0.00 0.04 -1.26 -4.89 135.00 129.83 1ukc s PRO 495 Ca 0.46 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1ukc s PRO 495 Cb -0.34 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 1ukc s PRO 495 CO 0.44 -1.59 1.57 -2.00 0.04 0.00 0.00 177.00 175.46 1ukc s GLU 496 N -5.02 4.14 -0.40 4.56 2.12 -1.26 -4.98 118.70 117.86 1ukc s GLU 496 Ca 0.61 2.54 -0.12 0.00 0.36 0.00 0.00 54.97 58.36 1ukc s GLU 496 Cb -0.16 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.25 1ukc s GLU 496 CO 0.55 -0.60 0.26 -0.46 -0.54 0.00 0.00 175.26 174.47 1ukc s TRP 497 N -0.07 3.26 0.54 5.30 -0.11 -1.26 -4.79 118.94 121.81 1ukc s TRP 497 Ca 0.62 -1.05 -0.10 0.00 1.22 0.00 0.00 56.10 56.79 1ukc s TRP 497 Cb -0.47 -2.67 -0.05 0.00 -1.50 0.00 0.00 33.47 28.78 1ukc s TRP 497 CO 0.48 -0.71 0.92 -0.80 -4.62 0.00 0.00 176.95 172.22 1ukc s ASN 498 N 1.84 6.33 1.04 5.86 0.01 -1.26 -4.87 114.94 123.90 1ukc s ASN 498 Ca 0.03 1.26 -0.15 0.00 -0.71 0.00 0.00 52.86 53.30 1ukc s ASN 498 Cb -0.21 -2.39 0.21 0.00 0.41 0.00 0.00 41.25 39.27 1ukc s ASN 498 CO 0.06 -0.69 1.12 0.42 -1.51 0.00 0.00 177.10 176.50 1ukc s THR 499 N -2.87 1.89 0.26 1.60 -4.23 -1.26 -4.67 115.64 106.35 1ukc s THR 499 Ca 0.53 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1ukc s THR 499 Cb -0.11 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.40 1ukc s THR 499 CO 0.45 0.00 1.73 -0.25 -0.54 0.00 0.00 174.62 176.01 1ukc h TRP 500 N -2.02 0.58 0.00 3.99 2.91 -1.08 -3.42 115.95 116.91 1ukc h TRP 500 Ca -0.51 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.55 1ukc h TRP 500 Cb 1.32 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1ukc h TRP 500 CO -0.47 0.06 0.00 0.41 -1.03 0.00 0.00 178.44 177.41 1ukc n GLY 501 N -1.33 4.19 1.83 2.65 0.00 -1.26 -0.06 105.19 111.21 1ukc n GLY 501 Ca 0.16 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1ukc n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ukc n ASN 502 N 7.94 5.36 0.00 1.61 0.23 -1.26 -4.87 115.26 124.27 1ukc n ASN 502 Ca 0.00 -3.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 1ukc n ASN 502 Cb 0.00 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 1ukc n ASN 502 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ukc n GLY 503 N 0.32 0.67 3.04 4.83 0.00 0.92 -4.98 105.19 109.99 1ukc n GLY 503 Ca 0.31 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1ukc n GLY 503 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ukc s GLN 504 N -0.12 0.50 0.10 1.61 -1.52 0.43 -1.28 119.66 119.38 1ukc s GLN 504 Ca 0.00 -0.68 -0.12 0.00 -1.95 0.00 0.00 55.36 52.60 1ukc s GLN 504 Cb 0.00 -0.28 0.02 0.00 -0.22 0.00 0.00 33.01 32.53 1ukc s GLN 504 CO 0.00 0.05 0.29 -0.98 -0.25 0.00 0.00 175.29 174.40 1ukc s ARG 505 N -1.40 0.93 -0.15 2.91 1.70 -0.60 -4.20 118.95 118.12 1ukc s ARG 505 Ca -0.09 -0.80 -0.23 0.00 -0.47 0.00 0.00 55.73 54.14 1ukc s ARG 505 Cb -0.09 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1ukc s ARG 505 CO 0.00 -0.33 0.71 -1.17 -1.08 0.00 0.00 175.30 173.43 1ukc s LEU 506 N -2.73 4.20 -0.35 -1.89 2.96 -0.36 -0.82 118.68 119.68 1ukc s LEU 506 Ca 0.03 1.03 -0.26 0.00 -0.22 0.00 0.00 54.13 54.71 1ukc s LEU 506 Cb 0.03 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.69 1ukc s LEU 506 CO -0.10 -0.26 0.93 -0.60 -1.32 0.00 0.00 176.35 175.00 1ukc s ARG 507 N 1.66 3.90 -0.40 1.98 3.52 0.41 -0.69 118.95 129.32 1ukc s ARG 507 Ca 0.34 0.67 -0.20 0.00 -0.13 0.00 0.00 55.73 56.40 1ukc s ARG 507 Cb -0.16 -3.78 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 1ukc s ARG 507 CO 0.13 -0.90 0.63 -0.51 -0.81 0.00 0.00 175.30 173.84 1ukc s LEU 508 N 3.44 4.40 -0.21 -0.88 1.43 0.10 -2.46 118.68 124.50 1ukc s LEU 508 Ca 0.39 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1ukc s LEU 508 Cb -0.12 -2.74 0.06 0.00 0.03 0.00 0.00 46.19 43.42 1ukc s LEU 508 CO 0.17 -0.70 0.52 -1.58 0.23 0.00 0.00 176.35 174.99 1ukc s GLN 509 N 2.76 0.53 0.09 1.70 0.74 -1.26 -0.33 119.66 123.90 1ukc s GLN 509 Ca 0.23 0.90 -0.35 0.00 0.05 0.00 0.00 55.36 56.19 1ukc s GLN 509 Cb -0.14 0.09 -0.15 0.00 1.10 0.00 0.00 33.01 33.91 1ukc s GLN 509 CO 0.17 -0.14 1.51 2.41 -0.55 0.00 0.00 175.29 178.69 1ukc n THR 510 N 3.95 0.05 -1.25 -0.34 -1.04 -1.26 -1.00 114.28 113.39 1ukc n THR 510 Ca -0.20 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.70 1ukc n THR 510 Cb 0.57 -1.25 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 1ukc n THR 510 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ukc n ASN 511 N 3.34 -5.11 -2.69 8.00 3.02 -1.26 -4.78 115.26 115.78 1ukc n ASN 511 Ca 0.18 0.25 -0.06 0.00 -0.03 0.00 0.00 54.58 54.92 1ukc n ASN 511 Cb 0.24 -3.84 0.11 0.00 -0.61 0.00 0.00 39.78 35.69 1ukc n ASN 511 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ukc n ASP 512 N -0.87 -1.52 -4.66 6.41 -0.08 -0.17 -5.11 116.55 110.56 1ukc n ASP 512 Ca -0.10 -2.43 -0.38 0.00 -1.51 0.00 0.00 54.79 50.37 1ukc n ASP 512 Cb 0.54 0.82 -0.08 0.00 2.34 0.00 0.00 41.12 44.73 1ukc n ASP 512 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ukc s THR 513 N -0.13 5.22 -0.04 5.18 2.01 -1.03 -4.20 115.64 122.64 1ukc s THR 513 Ca 0.20 0.58 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 1ukc s THR 513 Cb 0.41 -3.68 0.11 0.00 0.01 0.00 0.00 72.50 69.35 1ukc s THR 513 CO -0.09 0.25 0.91 0.00 -0.69 0.00 0.00 174.62 175.00 1ukc s ALA 514 N 1.41 -1.85 0.37 7.40 0.00 -1.03 -4.82 121.76 123.25 1ukc s ALA 514 Ca 0.16 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 1ukc s ALA 514 Cb -0.15 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 1ukc s ALA 514 CO 0.08 -0.60 1.29 -1.64 0.00 0.00 0.00 175.76 174.88 1ukc s MET 515 N -2.67 4.16 0.04 0.00 -1.94 -1.26 -0.44 119.30 117.18 1ukc s MET 515 Ca 0.03 2.15 -0.07 0.00 -1.71 0.00 0.00 55.69 56.10 1ukc s MET 515 Cb -0.01 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 1ukc s MET 515 CO -0.06 -0.33 0.13 -1.83 -0.01 0.00 0.00 175.02 172.91 1ukc s GLU 516 N -2.03 0.61 0.27 2.03 -1.05 -0.00 -4.88 118.70 113.65 1ukc s GLU 516 Ca 0.53 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 54.39 1ukc s GLU 516 Cb -0.38 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.46 1ukc s GLU 516 CO 0.50 -0.16 0.90 0.00 0.95 0.00 0.00 175.26 177.45 1ukc s ALA 517 N -2.52 3.30 0.03 -0.84 0.00 -1.26 -1.56 121.76 118.90 1ukc s ALA 517 Ca -0.06 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1ukc s ALA 517 Cb -0.02 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1ukc s ALA 517 CO -0.04 0.21 1.49 0.08 0.00 0.00 0.00 175.76 177.50 1ukc s VAL 518 N -1.42 3.47 0.45 0.00 1.01 -0.40 -4.93 120.40 118.59 1ukc s VAL 518 Ca 0.45 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 1ukc s VAL 518 Cb -0.21 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1ukc s VAL 518 CO 0.26 -0.00 1.39 -2.84 0.00 0.00 0.00 175.10 173.91 1ukc s PRO 519 N 2.44 3.69 0.39 2.72 0.02 -1.26 -4.87 135.00 138.14 1ukc s PRO 519 Ca 0.67 2.33 0.14 0.00 0.02 0.00 0.00 61.00 64.16 1ukc s PRO 519 Cb -0.34 -2.63 0.99 0.00 0.02 0.00 0.00 34.50 32.53 1ukc s PRO 519 CO 0.28 -0.78 1.85 1.49 -0.33 0.00 0.00 177.00 179.51 1ukc h GLU 520 N 2.30 0.49 -0.93 5.54 4.57 -1.99 -1.66 114.58 122.91 1ukc h GLU 520 Ca -0.51 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1ukc h GLU 520 Cb 1.26 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.70 1ukc h GLU 520 CO 0.61 0.33 0.61 0.66 -1.18 0.00 0.00 179.01 180.04 1ukc h SER 521 N 0.51 1.05 -0.53 1.04 4.64 -1.99 -0.28 113.55 117.99 1ukc h SER 521 Ca 0.47 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.65 1ukc h SER 521 Cb 1.03 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1ukc h SER 521 CO -0.20 0.75 -0.13 0.28 -0.87 0.00 0.00 176.83 176.65 1ukc h SER 522 N 1.23 1.03 -0.98 4.97 0.02 -1.68 -0.88 113.55 117.26 1ukc h SER 522 Ca 0.35 -0.36 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1ukc h SER 522 Cb -0.10 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.10 1ukc h SER 522 CO -0.09 1.15 0.64 -0.07 -1.14 0.00 0.00 176.83 177.33 1ukc h LEU 523 N 0.89 1.07 -0.30 5.07 3.38 -0.88 0.06 115.31 124.60 1ukc h LEU 523 Ca 0.13 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1ukc h LEU 523 Cb 0.70 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ukc h LEU 523 CO 0.05 0.73 -0.32 1.56 0.09 0.00 0.00 178.44 180.55 1ukc h GLN 524 N 1.24 0.75 -0.59 1.13 1.08 -1.00 -1.26 115.11 116.47 1ukc h GLN 524 Ca 0.39 -0.40 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1ukc h GLN 524 Cb 0.01 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1ukc h GLN 524 CO -0.12 1.03 0.33 -0.44 -0.95 0.00 0.00 178.83 178.68 1ukc h ASP 525 N 0.51 0.52 -0.39 1.46 3.32 -0.71 -0.80 116.42 120.32 1ukc h ASP 525 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1ukc h ASP 525 Cb 0.90 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1ukc h ASP 525 CO 0.08 0.35 -0.03 0.00 -1.72 0.00 0.00 179.24 177.92 1ukc h ALA 527 N 1.23 1.27 -0.02 0.00 0.00 -0.80 0.34 119.26 121.28 1ukc h ALA 527 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ukc h ALA 527 Cb 0.49 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ukc h ALA 527 CO 0.02 0.63 0.01 0.35 0.00 0.00 0.00 179.25 180.26 1ukc h PHE 528 N 1.23 0.03 -0.37 0.00 3.57 -0.51 -2.12 116.94 118.78 1ukc h PHE 528 Ca 0.32 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1ukc h PHE 528 Cb -0.06 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ukc h PHE 528 CO 0.00 0.12 0.17 -1.49 -2.23 0.00 0.00 178.31 174.89 1ukc h TRP 529 N -0.07 0.49 -0.35 0.41 4.06 -0.99 -1.95 115.95 117.55 1ukc h TRP 529 Ca 0.01 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1ukc h TRP 529 Cb 0.10 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1ukc h TRP 529 CO -0.04 0.37 0.05 -0.22 -3.56 0.00 0.00 178.44 175.04 1ukc h LYS 530 N 0.51 0.53 0.00 0.49 1.63 -0.59 -1.51 116.57 117.63 1ukc h LYS 530 Ca 0.13 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ukc h LYS 530 Cb 0.06 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1ukc h LYS 530 CO -0.02 0.52 0.00 -1.13 -3.45 0.00 0.00 179.45 175.37 1ukc n SER 531 N -4.32 0.00 -0.70 4.20 3.41 -0.73 -2.85 113.62 112.64 1ukc n SER 531 Ca 0.02 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1ukc n SER 531 Cb 0.21 -0.50 0.17 0.00 -0.26 0.00 0.00 64.21 63.83 1ukc n SER 531 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ukc n LEU 532 N -1.50 3.05 0.11 1.04 4.77 -0.57 -4.66 117.00 119.24 1ukc n LEU 532 Ca 0.03 -2.06 0.02 0.00 -0.03 0.00 0.00 56.01 53.97 1ukc n LEU 532 Cb 0.15 -0.27 0.39 0.00 -2.33 0.00 0.00 43.42 41.37 1ukc n LEU 532 CO 0.12 0.74 0.90 0.71 -1.33 0.00 0.00 177.39 178.53 1ukc h THR 533 N 2.15 1.17 0.74 -5.08 1.35 -1.52 -1.90 112.91 109.82 1ukc h THR 533 Ca 0.00 -0.75 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 1ukc h THR 533 Cb 0.79 1.18 0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1ukc h THR 533 CO 0.02 0.24 -0.36 0.58 -0.25 0.00 0.00 175.52 175.74 1ukc h VAL 534 N 0.24 0.00 -0.74 6.82 2.07 -1.85 0.50 116.25 123.29 1ukc h VAL 534 Ca 0.05 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ukc h VAL 534 Cb 0.35 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1ukc h VAL 534 CO 0.02 0.00 0.49 1.55 0.02 0.00 0.00 177.57 179.65 1ukc h PRO 535 N -1.24 0.92 0.00 1.57 0.13 -1.87 -2.37 132.00 129.15 1ukc h PRO 535 Ca -0.10 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ukc h PRO 535 Cb 0.77 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1ukc h PRO 535 CO 0.17 0.61 0.00 0.52 -0.23 0.00 0.00 178.00 179.07 1ukc h MET 536 N 0.95 0.00 -6.03 0.86 2.86 -1.36 -3.36 114.93 108.84 1ukc h MET 536 Ca 0.29 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.54 1ukc h MET 536 Cb -0.02 0.00 0.10 0.00 0.06 0.00 0.00 31.60 31.75 1ukc h MET 536 CO -0.07 0.00 -0.90 0.39 1.06 0.00 0.00 176.91 177.38 1ukc n GLU 537 N -2.57 -2.17 0.00 1.72 1.02 0.13 -4.43 120.64 114.34 1ukc n GLU 537 Ca 0.04 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1ukc n GLU 537 Cb 0.39 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 1ukc n GLU 537 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64