#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukg s SER 3 N 0.00 1.17 -0.14 -2.24 1.04 -1.26 -1.44 113.70 110.83 1ukg s SER 3 Ca 0.00 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1ukg s SER 3 Cb 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1ukg s SER 3 CO 0.00 -0.03 0.38 -0.22 0.98 0.00 0.00 173.24 174.34 1ukg s LEU 4 N -1.04 0.47 -0.04 2.42 2.96 -0.65 -5.01 118.68 117.80 1ukg s LEU 4 Ca -0.02 0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 54.50 1ukg s LEU 4 Cb -0.07 1.28 0.03 0.00 0.50 0.00 0.00 46.19 47.93 1ukg s LEU 4 CO 0.01 -0.14 0.36 -0.94 -1.32 0.00 0.00 176.35 174.31 1ukg s SER 5 N 0.40 -0.27 0.01 3.68 1.04 -1.26 -0.90 113.70 116.40 1ukg s SER 5 Ca -0.02 0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.47 1ukg s SER 5 Cb -0.04 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1ukg s SER 5 CO -0.02 -0.41 0.43 0.72 0.98 0.00 0.00 173.24 174.94 1ukg s PHE 6 N -1.08 -0.31 -0.02 5.02 -0.12 -0.28 -5.00 117.98 116.19 1ukg s PHE 6 Ca -0.11 0.39 0.00 0.00 -0.05 0.00 0.00 56.93 57.16 1ukg s PHE 6 Cb -0.04 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1ukg s PHE 6 CO 0.04 -0.53 0.02 0.20 -0.05 0.00 0.00 175.22 174.90 1ukg s GLY 7 N -1.69 0.10 -0.49 1.99 0.00 -1.26 -1.14 107.32 104.82 1ukg s GLY 7 Ca -0.08 0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1ukg s GLY 7 CO 0.01 0.58 0.24 -1.36 0.00 0.00 0.00 173.10 172.57 1ukg s PHE 8 N 0.90 3.36 0.36 1.90 0.40 0.20 -4.95 117.98 120.16 1ukg s PHE 8 Ca -0.08 -3.04 0.07 0.00 -0.60 0.00 0.00 56.93 53.28 1ukg s PHE 8 Cb -0.11 -2.92 0.69 0.00 0.51 0.00 0.00 43.02 41.20 1ukg s PHE 8 CO -0.02 -0.81 1.90 -1.35 0.70 0.00 0.00 175.22 175.63 1ukg h PRO 9 N 6.87 0.39 -4.09 0.24 0.11 -1.90 -0.94 132.00 132.68 1ukg h PRO 9 Ca -0.06 -0.08 -0.25 0.00 0.11 0.00 0.00 66.00 65.71 1ukg h PRO 9 Cb 0.93 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.91 1ukg h PRO 9 CO 0.66 0.47 -0.20 0.95 -0.21 0.00 0.00 178.00 179.67 1ukg s THR 10 N -4.86 0.00 -0.58 -1.15 -4.23 -1.26 -4.51 115.64 99.05 1ukg s THR 10 Ca -0.07 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1ukg s THR 10 Cb 0.15 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1ukg s THR 10 CO 0.75 0.00 0.38 -0.36 -0.54 0.00 0.00 174.62 174.85 1ukg s PHE 11 N -3.17 2.89 0.84 3.99 0.08 -0.15 -4.96 117.98 117.50 1ukg s PHE 11 Ca 0.30 -3.02 -0.12 0.00 0.12 0.00 0.00 56.93 54.21 1ukg s PHE 11 Cb -0.00 -2.36 0.10 0.00 -0.57 0.00 0.00 43.02 40.19 1ukg s PHE 11 CO 0.19 -0.66 1.18 -2.14 -0.10 0.00 0.00 175.22 173.68 1ukg s PRO 12 N -0.70 1.48 0.44 0.24 0.02 -1.26 -3.55 135.00 131.66 1ukg s PRO 12 Ca 0.23 1.65 0.11 0.00 0.02 0.00 0.00 61.00 63.01 1ukg s PRO 12 Cb -0.11 -1.77 0.96 0.00 0.02 0.00 0.00 34.50 33.59 1ukg s PRO 12 CO -0.11 -2.31 2.02 0.66 -0.33 0.00 0.00 177.00 176.94 1ukg h SER 13 N -1.21 0.21 -1.74 2.53 4.64 -1.96 -3.36 113.55 112.65 1ukg h SER 13 Ca -0.45 -0.02 -0.70 0.00 -0.47 0.00 0.00 61.79 60.15 1ukg h SER 13 Cb 1.28 -0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 1ukg h SER 13 CO 0.45 0.25 1.53 -0.62 -0.87 0.00 0.00 176.83 177.57 1ukg s ASP 14 N -6.89 6.89 -0.00 4.97 3.68 -1.26 -4.99 116.67 119.07 1ukg s ASP 14 Ca -0.06 -2.56 -0.05 0.00 2.13 0.00 0.00 52.55 52.01 1ukg s ASP 14 Cb 0.16 -2.47 -0.04 0.00 -1.45 0.00 0.00 42.92 39.12 1ukg s ASP 14 CO 0.71 -0.98 0.23 -1.10 0.13 0.00 0.00 175.17 174.16 1ukg s GLN 15 N 2.79 3.51 0.00 4.34 -1.52 -1.26 -5.00 119.66 122.52 1ukg s GLN 15 Ca 0.45 -0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.67 1ukg s GLN 15 Cb -0.01 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 1ukg s GLN 15 CO -0.00 0.66 0.00 1.63 -0.25 0.00 0.00 175.29 177.33 1ukg n LYS 16 N 1.04 2.62 -0.64 2.91 4.76 -1.26 -4.81 118.16 122.77 1ukg n LYS 16 Ca -0.11 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 1ukg n LYS 16 Cb 0.53 -0.92 0.32 0.00 -1.84 0.00 0.00 35.03 33.12 1ukg n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ukg n ASN 17 N -1.60 4.62 -4.41 4.39 3.02 -1.26 -4.96 115.26 115.06 1ukg n ASN 17 Ca 0.00 -3.01 -0.33 0.00 -0.03 0.00 0.00 54.58 51.22 1ukg n ASN 17 Cb 0.29 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.71 1ukg n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ukg s LEU 18 N -2.82 2.67 -0.31 3.41 1.43 -1.26 -0.34 118.68 121.45 1ukg s LEU 18 Ca 0.47 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1ukg s LEU 18 Cb 0.38 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1ukg s LEU 18 CO 0.12 0.25 0.30 -0.63 0.23 0.00 0.00 176.35 176.62 1ukg s ILE 19 N -0.19 5.23 -0.19 -0.59 1.01 0.15 -4.91 121.20 121.72 1ukg s ILE 19 Ca -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1ukg s ILE 19 Cb -0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1ukg s ILE 19 CO 0.03 0.05 0.23 -0.36 0.00 0.00 0.00 174.94 174.89 1ukg s PHE 20 N 1.90 3.42 0.07 3.97 0.08 -1.26 -1.59 117.98 124.57 1ukg s PHE 20 Ca 0.10 0.47 0.07 0.00 0.12 0.00 0.00 56.93 57.69 1ukg s PHE 20 Cb -0.16 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 1ukg s PHE 20 CO 0.11 0.22 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.60 1ukg s GLN 21 N 0.56 1.17 5.83 0.44 -0.21 -0.06 -5.00 119.66 122.39 1ukg s GLN 21 Ca 0.13 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.52 1ukg s GLN 21 Cb -0.12 -1.31 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1ukg s GLN 21 CO 0.02 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1ukg n GLY 22 N 1.55 2.00 0.73 3.09 0.00 -1.26 -1.31 105.19 109.98 1ukg n GLY 22 Ca -0.18 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ukg n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ukg n ASP 23 N 3.46 2.16 -4.76 1.61 8.00 0.97 -4.93 116.55 123.06 1ukg n ASP 23 Ca 0.00 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 1ukg n ASP 23 Cb 0.00 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 1ukg n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ukg s ALA 24 N -1.63 3.63 0.13 2.24 0.00 -1.19 -4.43 121.76 120.51 1ukg s ALA 24 Ca 0.32 1.44 -0.24 0.00 0.00 0.00 0.00 51.96 53.48 1ukg s ALA 24 Cb 0.17 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1ukg s ALA 24 CO 0.25 -0.87 0.63 1.14 0.00 0.00 0.00 175.76 176.91 1ukg s GLN 25 N -1.01 1.22 -0.03 0.00 -2.07 -0.79 -4.77 119.66 112.21 1ukg s GLN 25 Ca 0.57 -0.39 -0.23 0.00 -1.82 0.00 0.00 55.36 53.50 1ukg s GLN 25 Cb -0.44 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 1ukg s GLN 25 CO 0.51 -0.52 0.67 0.42 -1.32 0.00 0.00 175.29 175.05 1ukg s ILE 26 N -3.45 4.96 -0.15 3.63 -1.09 -1.26 -0.47 121.20 123.37 1ukg s ILE 26 Ca 0.00 1.40 -0.07 0.00 -2.23 0.00 0.00 60.65 59.75 1ukg s ILE 26 Cb -0.01 -4.01 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1ukg s ILE 26 CO -0.11 0.32 0.34 -0.54 -1.23 0.00 0.00 174.94 173.72 1ukg s LYS 27 N 0.38 0.29 -1.30 2.79 1.02 -0.19 -4.94 119.74 117.80 1ukg s LYS 27 Ca 0.35 0.75 -0.00 0.00 0.02 0.00 0.00 55.97 57.09 1ukg s LYS 27 Cb -0.18 0.00 -0.00 0.00 -0.52 0.00 0.00 37.83 37.13 1ukg s LYS 27 CO 0.18 -0.20 0.72 0.09 -0.92 0.00 0.00 175.35 175.23 1ukg n ASN 28 N 4.61 -1.24 -1.85 2.83 3.02 -1.26 -2.13 115.26 119.24 1ukg n ASN 28 Ca -0.19 -0.80 -0.19 0.00 -0.03 0.00 0.00 54.58 53.36 1ukg n ASN 28 Cb 0.53 -4.15 -0.06 0.00 -0.61 0.00 0.00 39.78 35.49 1ukg n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ukg n ASN 29 N -3.06 -5.29 -4.03 6.41 4.13 -1.25 -4.96 115.26 107.19 1ukg n ASN 29 Ca -0.30 0.33 -0.08 0.00 1.68 0.00 0.00 54.58 56.21 1ukg n ASN 29 Cb 0.68 -4.60 -0.10 0.00 -1.54 0.00 0.00 39.78 34.22 1ukg n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ukg s ALA 30 N -2.76 0.32 -0.27 5.41 0.00 -0.91 -0.97 121.76 122.58 1ukg s ALA 30 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 1ukg s ALA 30 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1ukg s ALA 30 CO 0.00 -0.36 0.47 0.08 0.00 0.00 0.00 175.76 175.95 1ukg s VAL 31 N -3.50 5.10 -0.55 0.00 1.01 -0.41 -1.02 120.40 121.02 1ukg s VAL 31 Ca 0.03 0.72 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 1ukg s VAL 31 Cb 0.05 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1ukg s VAL 31 CO -0.09 0.08 0.63 -1.10 0.00 0.00 0.00 175.10 174.62 1ukg s GLN 32 N 2.24 3.05 0.21 2.72 -1.52 0.38 -0.95 119.66 125.79 1ukg s GLN 32 Ca 0.19 -1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 52.28 1ukg s GLN 32 Cb -0.16 -4.21 0.16 0.00 -0.22 0.00 0.00 33.01 28.58 1ukg s GLN 32 CO 0.10 -1.38 1.67 -0.07 -0.25 0.00 0.00 175.29 175.36 1ukg h LEU 33 N 9.65 0.92 -9.51 2.90 3.38 -1.67 -2.10 115.31 118.88 1ukg h LEU 33 Ca -0.29 -0.27 -0.65 0.00 0.09 0.00 0.00 57.88 56.76 1ukg h LEU 33 Cb 1.09 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 1ukg h LEU 33 CO 1.04 1.01 -0.64 0.42 0.09 0.00 0.00 178.44 180.35 1ukg s THR 34 N -4.92 4.19 0.48 0.22 -4.23 -1.26 -3.13 115.64 106.98 1ukg s THR 34 Ca -0.11 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.27 1ukg s THR 34 Cb 0.14 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 1ukg s THR 34 CO 0.84 0.14 1.36 1.17 -0.54 0.00 0.00 174.62 177.59 1ukg n LYS 35 N 0.59 1.97 -4.16 3.99 4.81 -1.26 -4.78 118.16 119.32 1ukg n LYS 35 Ca -0.10 0.71 -0.13 0.00 -0.87 0.00 0.00 58.31 57.92 1ukg n LYS 35 Cb 0.52 -2.54 -0.10 0.00 0.02 0.00 0.00 35.03 32.92 1ukg n LYS 35 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ukg s THR 36 N -1.23 0.80 0.49 3.15 -4.23 -1.26 -2.95 115.64 110.41 1ukg s THR 36 Ca 0.65 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1ukg s THR 36 Cb -0.45 -1.42 0.11 0.00 1.34 0.00 0.00 72.50 72.08 1ukg s THR 36 CO 0.55 -0.68 0.67 -0.90 -0.54 0.00 0.00 174.62 173.72 1ukg n ASP 37 N 0.38 0.12 0.06 3.99 5.68 0.13 -4.86 116.55 122.05 1ukg n ASP 37 Ca -0.15 -1.29 0.12 0.00 -0.50 0.00 0.00 54.79 52.97 1ukg n ASP 37 Cb 0.59 -0.50 0.58 0.00 -1.14 0.00 0.00 41.12 40.64 1ukg n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ukg h SER 38 N -0.83 0.18 -0.48 -1.12 0.02 -2.02 -1.40 113.55 107.89 1ukg h SER 38 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1ukg h SER 38 Cb 0.61 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ukg h SER 38 CO 0.16 0.12 0.00 -0.46 -1.14 0.00 0.00 176.83 175.51 1ukg n ASN 39 N -4.47 2.62 0.00 3.07 6.94 -1.26 -4.94 115.26 117.23 1ukg n ASN 39 Ca 0.05 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1ukg n ASN 39 Cb 0.29 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1ukg n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ukg n GLY 40 N 1.28 0.72 3.80 4.83 0.00 -0.53 -5.05 105.19 110.26 1ukg n GLY 40 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1ukg n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukg s ASN 41 N -2.40 7.14 0.65 1.61 0.02 -1.26 -4.73 114.94 115.97 1ukg s ASN 41 Ca 0.00 1.44 -0.17 0.00 -1.02 0.00 0.00 52.86 53.12 1ukg s ASN 41 Cb 0.00 -2.43 -0.00 0.00 0.02 0.00 0.00 41.25 38.84 1ukg s ASN 41 CO 0.00 0.12 1.18 -2.16 0.02 0.00 0.00 177.10 176.26 1ukg s PRO 42 N -1.62 2.66 0.21 -0.60 0.04 -1.26 -0.69 135.00 133.73 1ukg s PRO 42 Ca 0.39 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.20 1ukg s PRO 42 Cb -0.19 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1ukg s PRO 42 CO 0.22 -1.42 -0.13 0.14 0.04 0.00 0.00 177.00 175.85 1ukg s VAL 43 N -1.90 1.63 0.71 -0.36 -7.23 -1.15 -4.82 120.40 107.28 1ukg s VAL 43 Ca 0.74 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 1ukg s VAL 43 Cb -0.28 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.62 1ukg s VAL 43 CO 0.39 -0.58 1.10 0.00 -0.31 0.00 0.00 175.10 175.70 1ukg s ALA 44 N -3.04 2.89 -0.62 1.32 0.00 -1.26 -4.58 121.76 116.46 1ukg s ALA 44 Ca 0.23 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1ukg s ALA 44 Cb 0.00 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1ukg s ALA 44 CO 0.07 -1.18 0.64 0.43 0.00 0.00 0.00 175.76 175.72 1ukg n SER 45 N -3.02 -6.67 -3.73 0.00 7.64 -0.32 -4.98 113.62 102.53 1ukg n SER 45 Ca 0.07 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1ukg n SER 45 Cb 0.58 -3.73 -0.10 0.00 -1.01 0.00 0.00 64.21 59.95 1ukg n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ukg s THR 46 N -2.59 0.00 0.00 0.44 -1.32 -0.51 -5.00 115.64 106.66 1ukg s THR 46 Ca 0.14 -0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.63 1ukg s THR 46 Cb -0.03 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1ukg s THR 46 CO 0.82 -0.00 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.49 1ukg s VAL 47 N 0.22 0.33 -0.09 5.08 1.01 -1.26 -1.02 120.40 124.67 1ukg s VAL 47 Ca -0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1ukg s VAL 47 Cb -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.10 1ukg s VAL 47 CO 0.01 0.04 0.52 -0.83 0.00 0.00 0.00 175.10 174.84 1ukg s GLY 48 N -0.24 -0.39 0.08 4.51 0.00 -0.84 -0.02 107.32 110.41 1ukg s GLY 48 Ca 0.00 1.09 -0.09 0.00 0.00 0.00 0.00 44.72 45.72 1ukg s GLY 48 CO -0.00 0.82 0.18 0.50 0.00 0.00 0.00 173.10 174.60 1ukg s ARG 49 N -0.75 0.81 0.03 2.90 0.52 -0.43 -1.68 118.95 120.35 1ukg s ARG 49 Ca -0.08 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1ukg s ARG 49 Cb -0.03 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 1ukg s ARG 49 CO 0.05 -0.25 -0.05 0.96 0.02 0.00 0.00 175.30 176.03 1ukg s ILE 50 N -3.60 0.32 0.01 1.52 -4.36 -0.45 -0.88 121.20 113.76 1ukg s ILE 50 Ca 0.03 -0.94 -0.00 0.00 -0.26 0.00 0.00 60.65 59.48 1ukg s ILE 50 Cb 0.04 -0.42 -0.01 0.00 1.25 0.00 0.00 42.46 43.32 1ukg s ILE 50 CO -0.10 -0.40 -0.01 -0.76 0.24 0.00 0.00 174.94 173.91 1ukg s LEU 51 N -1.42 2.12 0.30 0.37 1.43 -0.62 -1.16 118.68 119.69 1ukg s LEU 51 Ca -0.12 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 1ukg s LEU 51 Cb -0.09 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.10 1ukg s LEU 51 CO -0.00 -0.17 1.06 0.12 0.23 0.00 0.00 176.35 177.59 1ukg s PHE 52 N -0.82 3.59 0.15 0.29 5.36 -0.67 -0.67 117.98 125.20 1ukg s PHE 52 Ca -0.09 1.73 -0.13 0.00 -0.96 0.00 0.00 56.93 57.48 1ukg s PHE 52 Cb -0.06 -3.20 0.03 0.00 -0.34 0.00 0.00 43.02 39.46 1ukg s PHE 52 CO -0.01 -0.38 1.65 0.66 -1.46 0.00 0.00 175.22 175.68 1ukg h SER 53 N 3.59 0.79 -3.61 6.13 4.64 -1.04 -3.43 113.55 120.62 1ukg h SER 53 Ca -0.47 -0.24 -0.52 0.00 -0.47 0.00 0.00 61.79 60.09 1ukg h SER 53 Cb 1.21 -0.21 0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1ukg h SER 53 CO 0.66 0.82 0.60 0.00 -0.87 0.00 0.00 176.83 178.04 1ukg s ALA 54 N -5.28 3.48 0.31 5.18 0.00 -1.26 -5.00 121.76 119.19 1ukg s ALA 54 Ca -0.13 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1ukg s ALA 54 Cb 0.12 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1ukg s ALA 54 CO 0.80 -0.46 0.96 -0.65 0.00 0.00 0.00 175.76 176.42 1ukg s GLN 55 N -0.83 4.61 -0.18 0.00 -0.21 -1.26 -4.82 119.66 116.97 1ukg s GLN 55 Ca 0.52 1.42 -0.10 0.00 0.02 0.00 0.00 55.36 57.21 1ukg s GLN 55 Cb -0.36 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 1ukg s GLN 55 CO 0.42 0.29 0.16 0.08 -2.12 0.00 0.00 175.29 174.12 1ukg s VAL 56 N -1.49 5.41 -0.80 1.09 1.01 0.68 -4.91 120.40 121.40 1ukg s VAL 56 Ca 0.48 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 1ukg s VAL 56 Cb -0.22 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.77 1ukg s VAL 56 CO 0.27 0.47 1.09 -2.28 0.00 0.00 0.00 175.10 174.65 1ukg s HIS 57 N 0.06 2.80 0.12 5.22 2.46 -1.26 -1.21 115.29 123.48 1ukg s HIS 57 Ca 0.11 -0.86 -0.10 0.00 0.47 0.00 0.00 55.06 54.67 1ukg s HIS 57 Cb -0.12 -4.35 -0.11 0.00 -0.13 0.00 0.00 32.58 27.88 1ukg s HIS 57 CO 0.00 -1.64 1.34 1.25 -2.47 0.00 0.00 174.74 173.22 1ukg h LEU 58 N 11.24 0.85 -7.17 8.88 5.85 -1.21 -3.43 115.31 130.32 1ukg h LEU 58 Ca -0.08 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.03 1ukg h LEU 58 Cb 1.05 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.67 1ukg h LEU 58 CO 1.19 1.35 0.06 -1.66 -0.34 0.00 0.00 178.44 179.03 1ukg s TRP 59 N -3.74 -0.44 -0.20 1.25 1.48 -1.12 -0.28 118.94 115.89 1ukg s TRP 59 Ca -0.09 0.48 0.00 0.00 -1.06 0.00 0.00 56.10 55.43 1ukg s TRP 59 Cb 0.09 0.37 0.05 0.00 -1.16 0.00 0.00 33.47 32.81 1ukg s TRP 59 CO 0.89 -0.66 -0.07 -2.00 -4.06 0.00 0.00 176.95 171.05 1ukg s GLU 60 N -2.53 1.70 0.31 3.25 2.12 -0.43 -4.54 118.70 118.57 1ukg s GLU 60 Ca -0.05 -0.78 -0.00 0.00 0.36 0.00 0.00 54.97 54.50 1ukg s GLU 60 Cb -0.01 -2.34 0.50 0.00 0.26 0.00 0.00 34.13 32.55 1ukg s GLU 60 CO -0.02 -0.48 1.95 -0.22 -0.54 0.00 0.00 175.26 175.94 1ukg h LYS 61 N 8.02 0.93 -0.50 4.30 3.64 -1.96 -0.37 116.57 130.61 1ukg h LYS 61 Ca -0.24 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 1ukg h LYS 61 Cb 1.09 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1ukg h LYS 61 CO 0.43 0.67 -0.03 0.66 -2.27 0.00 0.00 179.45 178.91 1ukg h SER 62 N 0.94 0.90 0.09 4.20 4.64 -1.96 -3.22 113.55 119.13 1ukg h SER 62 Ca 0.24 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ukg h SER 62 Cb -0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1ukg h SER 62 CO -0.04 1.00 -0.61 -1.54 -0.87 0.00 0.00 176.83 174.77 1ukg n SER 63 N -4.28 1.38 -1.60 4.97 3.41 -1.19 -4.96 113.62 111.34 1ukg n SER 63 Ca 0.01 -1.11 -0.15 0.00 -0.26 0.00 0.00 58.87 57.35 1ukg n SER 63 Cb 0.34 0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 1ukg n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ukg n SER 64 N -0.76 -4.65 -4.92 4.04 2.88 -0.17 -5.00 113.62 105.04 1ukg n SER 64 Ca 0.08 0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 57.41 1ukg n SER 64 Cb 0.39 -3.72 -0.04 0.00 -0.75 0.00 0.00 64.21 60.10 1ukg n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ukg s ARG 65 N -4.41 3.53 0.00 -1.46 0.52 -1.09 -4.76 118.95 111.28 1ukg s ARG 65 Ca 0.00 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1ukg s ARG 65 Cb 0.00 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 1ukg s ARG 65 CO 0.00 0.45 -0.09 0.08 0.02 0.00 0.00 175.30 175.77 1ukg s VAL 66 N -1.76 0.68 0.33 3.52 1.01 -0.89 -1.31 120.40 121.98 1ukg s VAL 66 Ca 0.38 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1ukg s VAL 66 Cb -0.12 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 1ukg s VAL 66 CO 0.28 0.12 0.95 0.00 0.00 0.00 0.00 175.10 176.46 1ukg s ALA 67 N -0.34 3.19 -0.17 5.51 0.00 0.62 -1.66 121.76 128.91 1ukg s ALA 67 Ca 0.02 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 1ukg s ALA 67 Cb -0.04 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1ukg s ALA 67 CO -0.00 0.14 0.08 0.54 0.00 0.00 0.00 175.76 176.52 1ukg s ASN 68 N -1.63 5.77 0.10 0.00 4.22 -0.23 -4.45 114.94 118.71 1ukg s ASN 68 Ca 0.51 0.15 0.02 0.00 -2.14 0.00 0.00 52.86 51.39 1ukg s ASN 68 Cb -0.18 -1.96 -0.04 0.00 1.28 0.00 0.00 41.25 40.34 1ukg s ASN 68 CO 0.24 0.21 -0.06 0.72 -2.04 0.00 0.00 177.10 176.16 1ukg s PHE 69 N 0.16 0.88 -0.03 1.54 -0.12 -1.05 -1.46 117.98 117.91 1ukg s PHE 69 Ca 0.06 -0.91 -0.01 0.00 -0.05 0.00 0.00 56.93 56.01 1ukg s PHE 69 Cb -0.12 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.78 1ukg s PHE 69 CO 0.00 -0.16 0.06 -1.14 -0.05 0.00 0.00 175.22 173.93 1ukg s GLN 70 N -3.81 0.02 -0.11 1.99 0.74 -0.26 -1.18 119.66 117.04 1ukg s GLN 70 Ca 0.11 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.70 1ukg s GLN 70 Cb 0.05 -0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.05 1ukg s GLN 70 CO -0.05 -0.11 -0.09 0.45 -0.55 0.00 0.00 175.29 174.94 1ukg s SER 71 N 0.72 2.17 -0.10 6.67 0.15 0.61 -1.61 113.70 122.31 1ukg s SER 71 Ca -0.06 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1ukg s SER 71 Cb -0.08 -0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 63.34 1ukg s SER 71 CO -0.03 -0.09 -0.20 -1.58 1.20 0.00 0.00 173.24 172.55 1ukg s GLN 72 N 1.52 3.00 0.22 5.44 0.74 -0.25 -0.61 119.66 129.71 1ukg s GLN 72 Ca 0.02 -0.81 -0.18 0.00 0.05 0.00 0.00 55.36 54.44 1ukg s GLN 72 Cb -0.13 -2.38 0.02 0.00 1.10 0.00 0.00 33.01 31.63 1ukg s GLN 72 CO -0.07 0.27 0.56 -0.59 -0.55 0.00 0.00 175.29 174.91 1ukg s PHE 73 N 0.15 -0.10 0.01 1.67 -0.12 -0.56 -0.46 117.98 118.58 1ukg s PHE 73 Ca -0.11 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.51 1ukg s PHE 73 Cb -0.16 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 1ukg s PHE 73 CO 0.06 -0.99 -0.02 -1.54 -0.05 0.00 0.00 175.22 172.68 1ukg s SER 74 N -2.89 0.21 0.16 1.98 1.04 -1.04 -0.11 113.70 113.04 1ukg s SER 74 Ca 0.11 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.24 1ukg s SER 74 Cb -0.02 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 1ukg s SER 74 CO 0.00 -0.10 0.26 0.72 0.98 0.00 0.00 173.24 175.10 1ukg s PHE 75 N -0.58 0.41 0.03 5.02 -0.71 -1.02 -0.88 117.98 120.26 1ukg s PHE 75 Ca -0.06 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1ukg s PHE 75 Cb -0.04 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1ukg s PHE 75 CO -0.00 -0.70 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.60 1ukg s SER 76 N -2.97 0.39 -0.04 1.98 1.04 -0.48 -0.85 113.70 112.77 1ukg s SER 76 Ca 0.17 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1ukg s SER 76 Cb 0.04 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1ukg s SER 76 CO -0.01 -0.29 -0.23 -0.76 0.98 0.00 0.00 173.24 172.94 1ukg s LEU 77 N -1.53 2.03 -0.00 2.42 1.43 -1.26 -1.76 118.68 120.02 1ukg s LEU 77 Ca -0.14 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1ukg s LEU 77 Cb -0.10 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 1ukg s LEU 77 CO -0.01 0.25 -0.02 -0.54 0.23 0.00 0.00 176.35 176.27 1ukg s LYS 78 N -0.32 0.14 -0.24 1.70 -0.14 -1.21 0.38 119.74 120.05 1ukg s LYS 78 Ca 0.02 -0.05 -0.19 0.00 -1.36 0.00 0.00 55.97 54.39 1ukg s LYS 78 Cb -0.11 -0.14 0.07 0.00 -1.68 0.00 0.00 37.83 35.97 1ukg s LYS 78 CO 0.01 0.03 0.62 0.45 -0.76 0.00 0.00 175.35 175.70 1ukg s SER 79 N -0.01 -0.72 0.54 2.83 0.15 -1.26 -0.67 113.70 114.56 1ukg s SER 79 Ca 0.00 1.30 0.27 0.00 0.70 0.00 0.00 55.95 58.22 1ukg s SER 79 Cb -0.01 1.26 1.55 0.00 -1.71 0.00 0.00 66.02 67.11 1ukg s SER 79 CO -0.00 -0.22 2.13 -0.65 1.20 0.00 0.00 173.24 175.70 1ukg h PRO 80 N 5.88 0.00 0.00 5.44 0.11 -1.97 -3.41 132.00 138.05 1ukg h PRO 80 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ukg h PRO 80 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ukg h PRO 80 CO 0.14 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.29 1ukg n LEU 81 N -3.76 0.00 0.00 2.35 4.77 -1.26 -5.05 117.00 114.05 1ukg n LEU 81 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1ukg n LEU 81 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1ukg n LEU 81 CO 0.29 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.11 1ukg n SER 82 N 0.00 0.00 -2.43 -1.43 2.88 -1.26 -4.89 113.62 106.49 1ukg n SER 82 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1ukg n SER 82 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ukg n SER 82 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukg n ASN 83 N -0.64 6.28 -4.71 -3.46 5.03 -1.26 -4.98 115.26 111.52 1ukg n ASN 83 Ca 0.00 -3.01 -0.40 0.00 0.87 0.00 0.00 54.58 52.04 1ukg n ASN 83 Cb 0.00 -1.29 0.02 0.00 -1.02 0.00 0.00 39.78 37.49 1ukg n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ukg n GLY 84 N 1.37 0.60 3.20 7.41 0.00 -1.26 -4.57 105.19 111.94 1ukg n GLY 84 Ca 0.49 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 1ukg n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukg s ALA 85 N -1.23 0.11 -0.02 4.61 0.00 -1.24 -4.26 121.76 119.73 1ukg s ALA 85 Ca 0.63 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.80 1ukg s ALA 85 Cb -0.48 0.55 -0.17 0.00 0.00 0.00 0.00 23.12 23.02 1ukg s ALA 85 CO 0.56 -0.50 0.22 -0.25 0.00 0.00 0.00 175.76 175.79 1ukg n ASP 86 N -0.05 2.51 0.00 0.00 8.00 0.66 -2.83 116.55 124.84 1ukg n ASP 86 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ukg n ASP 86 Cb 0.62 1.43 0.00 0.00 -0.02 0.00 0.00 41.12 43.16 1ukg n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ukg n GLY 87 N 1.93 2.87 3.26 0.44 0.00 -1.23 -2.76 105.19 109.69 1ukg n GLY 87 Ca -0.03 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1ukg n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ukg s ILE 88 N -1.91 1.53 -0.05 -0.61 2.07 -0.95 -3.01 121.20 118.27 1ukg s ILE 88 Ca 0.00 -1.56 -0.06 0.00 -1.41 0.00 0.00 60.65 57.63 1ukg s ILE 88 Cb 0.00 -1.47 0.01 0.00 0.13 0.00 0.00 42.46 41.13 1ukg s ILE 88 CO 0.00 -0.18 0.15 0.00 -1.91 0.00 0.00 174.94 173.00 1ukg s ALA 89 N -1.43 -0.37 -0.09 1.50 0.00 0.34 -0.62 121.76 121.08 1ukg s ALA 89 Ca 0.06 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 1ukg s ALA 89 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1ukg s ALA 89 CO 0.04 -0.09 0.41 0.12 0.00 0.00 0.00 175.76 176.23 1ukg s PHE 90 N -0.15 3.57 0.08 0.00 5.36 -0.46 -1.03 117.98 125.35 1ukg s PHE 90 Ca -0.02 0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 56.76 1ukg s PHE 90 Cb -0.02 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.21 1ukg s PHE 90 CO 0.00 0.33 0.05 -0.59 -1.46 0.00 0.00 175.22 173.56 1ukg s PHE 91 N 0.05 0.54 -0.06 10.12 -0.71 -0.20 -0.72 117.98 127.00 1ukg s PHE 91 Ca 0.23 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.12 1ukg s PHE 91 Cb -0.15 -0.34 0.01 0.00 -1.21 0.00 0.00 43.02 41.34 1ukg s PHE 91 CO 0.10 -0.46 -0.11 0.42 -1.34 0.00 0.00 175.22 173.82 1ukg s ILE 92 N -3.95 1.08 0.30 -4.49 1.01 0.09 -1.69 121.20 113.56 1ukg s ILE 92 Ca 0.12 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1ukg s ILE 92 Cb 0.07 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1ukg s ILE 92 CO -0.07 0.34 0.61 0.00 0.00 0.00 0.00 174.94 175.82 1ukg s ALA 93 N 0.70 -0.43 0.65 9.38 0.00 -0.79 -2.04 121.76 129.23 1ukg s ALA 93 Ca -0.14 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1ukg s ALA 93 Cb -0.16 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1ukg s ALA 93 CO 0.03 -0.92 1.07 -2.30 0.00 0.00 0.00 175.76 173.64 1ukg n PRO 94 N -0.46 0.86 -0.08 0.00 -0.02 -1.26 -0.84 135.00 133.20 1ukg n PRO 94 Ca -0.03 0.34 0.20 0.00 -2.02 0.00 0.00 63.50 62.00 1ukg n PRO 94 Cb 0.61 -2.30 0.65 0.00 -0.02 0.00 0.00 33.50 32.43 1ukg n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ukg h PRO 95 N 0.29 0.11 -0.49 0.52 0.11 -1.85 -2.27 132.00 128.42 1ukg h PRO 95 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ukg h PRO 95 Cb 1.35 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1ukg h PRO 95 CO 0.50 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1ukg n ASP 96 N -4.39 2.56 -4.71 -2.05 3.85 -1.26 -4.90 116.55 105.65 1ukg n ASP 96 Ca 0.13 -2.11 -0.42 0.00 -0.71 0.00 0.00 54.79 51.67 1ukg n ASP 96 Cb 0.65 -0.35 -0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1ukg n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 1ukg n THR 97 N 0.66 2.05 -4.17 2.12 5.66 -0.85 -5.02 114.28 114.73 1ukg n THR 97 Ca 0.14 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.54 1ukg n THR 97 Cb 0.45 -1.63 -0.10 0.00 -1.55 0.00 0.00 70.33 67.50 1ukg n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ukg s THR 98 N -1.11 0.18 -0.06 1.09 -4.23 -1.26 -5.10 115.64 105.15 1ukg s THR 98 Ca 0.56 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1ukg s THR 98 Cb -0.55 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.11 1ukg s THR 98 CO 0.62 -0.40 1.79 -0.63 -0.54 0.00 0.00 174.62 175.46 1ukg s ILE 99 N -4.00 3.38 0.54 2.99 1.01 -1.26 -4.96 121.20 118.89 1ukg s ILE 99 Ca 0.26 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 1ukg s ILE 99 Cb 0.07 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1ukg s ILE 99 CO 0.04 -0.07 1.22 -2.84 0.00 0.00 0.00 174.94 173.29 1ukg s PRO 100 N 4.41 3.29 0.15 2.79 0.02 -1.26 -4.94 135.00 139.45 1ukg s PRO 100 Ca 0.80 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 1ukg s PRO 100 Cb -0.35 -2.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.92 1ukg s PRO 100 CO 0.34 -0.97 1.59 0.45 -0.33 0.00 0.00 177.00 178.08 1ukg s SER 101 N -1.40 6.58 -0.94 2.53 0.15 -1.26 -2.61 113.70 116.75 1ukg s SER 101 Ca 0.71 2.61 -0.01 0.00 0.70 0.00 0.00 55.95 59.96 1ukg s SER 101 Cb -0.31 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1ukg s SER 101 CO 0.36 -0.84 0.18 0.61 1.20 0.00 0.00 173.24 174.75 1ukg n GLY 102 N 3.81 -0.05 1.76 9.45 0.00 -1.26 -4.41 105.19 114.49 1ukg n GLY 102 Ca 0.14 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1ukg n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukg n SER 103 N -0.46 5.28 -2.96 1.61 3.41 -1.07 -4.19 113.62 115.23 1ukg n SER 103 Ca -0.10 -2.80 -0.14 0.00 -0.26 0.00 0.00 58.87 55.58 1ukg n SER 103 Cb 0.59 -0.66 0.11 0.00 -0.26 0.00 0.00 64.21 63.99 1ukg n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ukg n GLY 104 N 0.67 -2.18 7.00 5.00 0.00 -1.26 0.49 105.19 114.91 1ukg n GLY 104 Ca 0.26 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1ukg n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukg n GLY 105 N -0.32 3.30 0.00 -0.02 0.00 -1.26 -2.10 105.19 104.79 1ukg n GLY 105 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1ukg n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukg n GLY 106 N 0.00 -0.63 0.37 -0.02 0.00 -1.26 -1.73 105.19 101.91 1ukg n GLY 106 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1ukg n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukg n LEU 107 N -1.40 1.23 -1.25 0.99 4.77 -0.89 -4.94 117.00 115.51 1ukg n LEU 107 Ca 0.02 -0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 55.50 1ukg n LEU 107 Cb 0.07 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1ukg n LEU 107 CO 0.06 0.21 -0.12 0.18 -1.33 0.00 0.00 177.39 176.39 1ukg n LEU 108 N -0.17 -0.85 -0.18 2.23 4.77 -0.71 -1.29 117.00 120.80 1ukg n LEU 108 Ca 0.17 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1ukg n LEU 108 Cb 0.33 -2.13 -0.01 0.00 -2.33 0.00 0.00 43.42 39.28 1ukg n LEU 108 CO 0.19 -0.76 -0.02 0.61 -1.33 0.00 0.00 177.39 176.08 1ukg n GLY 109 N -0.15 0.56 0.05 -0.72 0.00 0.18 -3.88 105.19 101.23 1ukg n GLY 109 Ca -0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 1ukg n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukg n LEU 110 N -0.27 0.00 -4.29 0.99 4.77 -0.41 -4.46 117.00 113.33 1ukg n LEU 110 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1ukg n LEU 110 Cb 0.15 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1ukg n LEU 110 CO 0.04 0.24 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.52 1ukg s PHE 111 N -2.28 1.57 0.15 -1.77 0.40 -1.19 -4.85 117.98 110.01 1ukg s PHE 111 Ca -0.05 -0.54 -0.20 0.00 -0.60 0.00 0.00 56.93 55.54 1ukg s PHE 111 Cb 0.03 -0.79 -0.07 0.00 0.51 0.00 0.00 43.02 42.70 1ukg s PHE 111 CO 0.43 0.23 0.66 0.00 0.70 0.00 0.00 175.22 177.24 1ukg s ALA 112 N -2.31 3.50 0.18 5.36 0.00 -1.26 -4.17 121.76 123.05 1ukg s ALA 112 Ca 0.14 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 1ukg s ALA 112 Cb -0.04 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.45 1ukg s ALA 112 CO 0.04 0.37 1.62 -1.35 0.00 0.00 0.00 175.76 176.44 1ukg h PRO 113 N 3.96 -0.14 0.00 0.00 0.11 -1.77 0.20 132.00 134.36 1ukg h PRO 113 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ukg h PRO 113 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ukg h PRO 113 CO 0.65 -0.09 0.00 0.78 -0.21 0.00 0.00 178.00 179.13 1ukg h GLY 114 N -0.14 0.00 -0.05 -0.55 0.00 -1.94 -3.16 103.07 97.23 1ukg h GLY 114 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1ukg h GLY 114 CO -0.52 0.00 -0.03 -1.30 0.00 0.00 0.00 176.54 174.69 1ukg n THR 115 N -2.75 0.69 -0.22 4.70 -2.24 -0.86 -4.84 114.28 108.76 1ukg n THR 115 Ca -0.00 -0.72 0.26 0.00 -2.27 0.00 0.00 64.05 61.32 1ukg n THR 115 Cb 0.18 0.61 0.65 0.00 -2.10 0.00 0.00 70.33 69.66 1ukg n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukg h ALA 116 N 0.00 2.64 -0.19 6.98 0.00 -0.59 -1.20 119.26 126.90 1ukg h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ukg h ALA 116 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ukg h ALA 116 CO 0.00 -0.93 0.00 1.04 0.00 0.00 0.00 179.25 179.36 1ukg n GLN 117 N -4.36 2.65 -3.24 0.00 6.02 -1.26 -1.16 117.38 116.03 1ukg n GLN 117 Ca 0.20 -2.26 -0.45 0.00 -0.01 0.00 0.00 57.00 54.48 1ukg n GLN 117 Cb 0.91 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.69 1ukg n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ukg s ASN 118 N -1.59 6.18 0.52 1.08 3.84 -0.46 -4.94 114.94 119.58 1ukg s ASN 118 Ca 0.26 -1.51 0.25 0.00 0.21 0.00 0.00 52.86 52.07 1ukg s ASN 118 Cb 0.19 -2.25 1.41 0.00 -0.55 0.00 0.00 41.25 40.06 1ukg s ASN 118 CO 0.08 -0.92 2.08 0.71 -2.79 0.00 0.00 177.10 176.27 1ukg h THR 119 N 5.88 0.68 -0.05 -5.21 1.35 -1.85 -2.32 112.91 111.40 1ukg h THR 119 Ca -0.29 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ukg h THR 119 Cb 1.10 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1ukg h THR 119 CO 1.03 0.11 0.00 -1.54 -0.25 0.00 0.00 175.52 174.87 1ukg n SER 120 N -3.82 1.14 -0.50 5.36 3.41 -1.26 -3.68 113.62 114.27 1ukg n SER 120 Ca -0.02 -1.45 0.06 0.00 -0.26 0.00 0.00 58.87 57.20 1ukg n SER 120 Cb 0.21 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1ukg n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukg n ALA 121 N -0.08 2.47 -2.35 7.33 0.00 -0.87 -5.02 120.51 121.98 1ukg n ALA 121 Ca 0.19 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 1ukg n ALA 121 Cb 0.28 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 1ukg n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ukg s ASN 122 N -1.02 2.43 -0.38 0.00 0.01 -1.23 -5.08 114.94 109.66 1ukg s ASN 122 Ca 0.15 -1.07 0.02 0.00 -0.71 0.00 0.00 52.86 51.25 1ukg s ASN 122 Cb 0.10 -0.11 0.16 0.00 0.41 0.00 0.00 41.25 41.81 1ukg s ASN 122 CO 0.15 -0.26 0.29 -1.10 -1.51 0.00 0.00 177.10 174.67 1ukg s GLN 123 N -3.70 0.73 -0.24 -0.60 -0.21 -1.26 -4.84 119.66 109.53 1ukg s GLN 123 Ca 0.24 -1.67 -0.26 0.00 0.02 0.00 0.00 55.36 53.69 1ukg s GLN 123 Cb 0.01 -1.30 0.08 0.00 1.00 0.00 0.00 33.01 32.80 1ukg s GLN 123 CO 0.07 -1.30 0.77 0.54 -2.12 0.00 0.00 175.29 173.25 1ukg s VAL 124 N 0.60 0.00 -0.09 1.09 0.11 -1.26 -4.29 120.40 116.56 1ukg s VAL 124 Ca 0.25 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.33 1ukg s VAL 124 Cb -0.09 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1ukg s VAL 124 CO -0.09 0.00 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.87 1ukg s ILE 125 N 0.14 1.60 0.04 7.04 1.01 -0.86 -1.11 121.20 129.06 1ukg s ILE 125 Ca -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1ukg s ILE 125 Cb -0.04 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1ukg s ILE 125 CO 0.01 0.46 0.09 0.00 0.00 0.00 0.00 174.94 175.49 1ukg s ALA 126 N 0.66 -0.01 -0.25 9.38 0.00 0.00 -0.73 121.76 130.82 1ukg s ALA 126 Ca -0.13 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1ukg s ALA 126 Cb -0.16 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.28 1ukg s ALA 126 CO 0.04 -0.33 -0.11 0.08 0.00 0.00 0.00 175.76 175.43 1ukg s VAL 127 N -2.82 2.27 0.04 0.00 1.01 0.10 -0.02 120.40 120.99 1ukg s VAL 127 Ca -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.51 1ukg s VAL 127 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1ukg s VAL 127 CO -0.06 0.09 0.11 -1.83 0.00 0.00 0.00 175.10 173.41 1ukg s GLU 128 N 1.16 3.07 -0.45 2.72 -1.05 0.20 -1.35 118.70 123.00 1ukg s GLU 128 Ca -0.05 -0.55 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 1ukg s GLU 128 Cb -0.18 -2.85 0.12 0.00 -0.44 0.00 0.00 34.13 30.78 1ukg s GLU 128 CO -0.06 0.61 0.18 -0.06 0.95 0.00 0.00 175.26 176.88 1ukg s PHE 129 N -1.33 3.26 -0.32 4.83 0.40 0.21 -0.92 117.98 124.11 1ukg s PHE 129 Ca 0.28 -3.04 -0.15 0.00 -0.60 0.00 0.00 56.93 53.42 1ukg s PHE 129 Cb -0.12 -2.77 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 1ukg s PHE 129 CO 0.20 -0.82 0.38 0.34 0.70 0.00 0.00 175.22 176.02 1ukg s ASP 130 N 0.19 6.21 0.00 1.36 -1.08 -0.36 -2.25 116.67 120.75 1ukg s ASP 130 Ca 0.15 -0.05 0.19 0.00 -0.52 0.00 0.00 52.55 52.31 1ukg s ASP 130 Cb -0.23 -2.21 -0.06 0.00 -1.46 0.00 0.00 42.92 38.96 1ukg s ASP 130 CO -0.03 -0.31 0.91 0.35 0.52 0.00 0.00 175.17 176.60 1ukg n THR 131 N 5.23 0.00 -4.48 1.71 -2.24 -1.11 -1.86 114.28 111.52 1ukg n THR 131 Ca -0.08 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1ukg n THR 131 Cb 0.50 1.16 -0.17 0.00 -2.10 0.00 0.00 70.33 69.72 1ukg n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ukg s PHE 132 N -2.32 2.04 -0.04 4.78 5.36 -1.25 -4.80 117.98 121.76 1ukg s PHE 132 Ca 0.13 -0.97 0.07 0.00 -0.96 0.00 0.00 56.93 55.20 1ukg s PHE 132 Cb 0.15 -1.46 0.11 0.00 -0.34 0.00 0.00 43.02 41.48 1ukg s PHE 132 CO 0.55 -0.49 1.05 2.48 -1.46 0.00 0.00 175.22 177.36 1ukg n TYR 133 N 4.18 0.00 -1.68 10.12 4.11 -1.26 -4.96 117.16 127.67 1ukg n TYR 133 Ca -0.19 -0.34 -0.56 0.00 -0.00 0.00 0.00 57.90 56.81 1ukg n TYR 133 Cb 0.51 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.34 39.70 1ukg n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ukg n ALA 134 N -0.41 -0.29 0.31 -3.48 0.00 -1.26 -4.77 120.51 110.61 1ukg n ALA 134 Ca 0.05 0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1ukg n ALA 134 Cb 0.70 -2.21 0.19 0.00 0.00 0.00 0.00 19.45 18.13 1ukg n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ukg n GLN 135 N 4.75 0.02 0.05 0.00 1.13 -1.26 -0.44 117.38 121.63 1ukg n GLN 135 Ca 0.24 0.33 -0.17 0.00 -1.94 0.00 0.00 57.00 55.47 1ukg n GLN 135 Cb 0.16 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.86 1ukg n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1ukg h ASP 136 N 0.00 0.36 0.00 1.08 2.03 -1.98 -3.34 116.42 114.57 1ukg h ASP 136 Ca 0.00 -0.55 -0.33 0.00 -0.73 0.00 0.00 57.03 55.42 1ukg h ASP 136 Cb 0.14 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 38.46 1ukg h ASP 136 CO 0.00 1.47 -2.24 -1.54 -1.03 0.00 0.00 179.24 175.90 1ukg n SER 137 N -3.42 1.76 -3.52 4.15 3.41 -1.10 -4.64 113.62 110.26 1ukg n SER 137 Ca -0.19 -0.08 -0.35 0.00 -0.26 0.00 0.00 58.87 57.99 1ukg n SER 137 Cb 1.05 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1ukg n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ukg n ASN 138 N -2.99 5.72 0.30 4.04 5.03 0.42 -4.86 115.26 122.92 1ukg n ASN 138 Ca -0.36 -3.57 0.20 0.00 0.87 0.00 0.00 54.58 51.72 1ukg n ASN 138 Cb 0.97 -0.95 1.09 0.00 -1.02 0.00 0.00 39.78 39.87 1ukg n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1ukg h THR 139 N 2.90 0.00 0.00 3.41 1.35 -1.74 -2.22 112.91 116.61 1ukg h THR 139 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1ukg h THR 139 Cb 0.51 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1ukg h THR 139 CO 1.07 0.00 -0.38 -2.67 -0.25 0.00 0.00 175.52 173.29 1ukg n TRP 140 N -2.91 0.31 -3.06 4.73 2.14 -1.26 -4.94 117.44 112.45 1ukg n TRP 140 Ca -0.03 0.09 -0.31 0.00 2.07 0.00 0.00 57.50 59.32 1ukg n TRP 140 Cb 0.07 -0.53 -0.05 0.00 -0.81 0.00 0.00 31.31 30.00 1ukg n TRP 140 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1ukg s ASP 141 N -3.61 6.66 0.76 -0.67 1.01 -0.84 -4.75 116.67 115.22 1ukg s ASP 141 Ca 0.10 1.18 -0.11 0.00 0.71 0.00 0.00 52.55 54.43 1ukg s ASP 141 Cb 0.16 -2.33 0.05 0.00 1.01 0.00 0.00 42.92 41.80 1ukg s ASP 141 CO 0.66 -0.27 1.08 -2.16 0.21 0.00 0.00 175.17 174.69 1ukg s PRO 142 N -3.31 2.41 -1.16 8.23 0.04 -1.26 -4.89 135.00 135.06 1ukg s PRO 142 Ca 0.52 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 1ukg s PRO 142 Cb -0.10 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1ukg s PRO 142 CO 0.23 -1.49 2.84 -1.71 0.04 0.00 0.00 177.00 176.92 1ukg n ASN 143 N -3.40 7.77 -3.63 6.66 5.15 -1.26 -4.82 115.26 121.73 1ukg n ASN 143 Ca 0.08 -2.83 -0.03 0.00 -0.60 0.00 0.00 54.58 51.20 1ukg n ASN 143 Cb 0.54 -1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 1ukg n ASN 143 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1ukg s TYR 144 N 0.40 -0.06 0.53 1.20 -0.85 -1.26 -5.10 117.35 112.21 1ukg s TYR 144 Ca 0.63 0.06 -0.22 0.00 -0.52 0.00 0.00 57.07 57.02 1ukg s TYR 144 Cb 0.23 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 43.01 1ukg s TYR 144 CO -0.08 -0.08 1.24 -0.35 -1.52 0.00 0.00 175.55 174.76 1ukg n PRO 145 N 0.13 1.54 -3.54 -3.49 -0.04 -1.26 -4.88 135.00 123.45 1ukg n PRO 145 Ca 0.02 0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1ukg n PRO 145 Cb 0.57 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1ukg n PRO 145 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ukg s HIS 146 N -1.32 -0.43 -0.12 0.54 -3.43 -0.78 -1.58 115.29 108.17 1ukg s HIS 146 Ca 0.70 0.16 -0.02 0.00 -0.80 0.00 0.00 55.06 55.10 1ukg s HIS 146 Cb -0.44 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 1ukg s HIS 146 CO 0.51 -0.94 -0.04 0.42 -2.00 0.00 0.00 174.74 172.69 1ukg s ILE 147 N -3.76 3.95 0.05 -5.38 1.01 -0.65 -1.22 121.20 115.20 1ukg s ILE 147 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1ukg s ILE 147 Cb -0.02 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1ukg s ILE 147 CO -0.07 0.54 -0.04 -0.83 0.00 0.00 0.00 174.94 174.54 1ukg s GLY 148 N -0.20 0.49 -0.23 6.18 0.00 -0.10 -1.52 107.32 111.94 1ukg s GLY 148 Ca 0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1ukg s GLY 148 CO 0.02 -1.20 0.05 -0.42 0.00 0.00 0.00 173.10 171.56 1ukg s ILE 149 N -3.28 4.28 -0.20 0.90 1.01 -0.35 -0.63 121.20 122.93 1ukg s ILE 149 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1ukg s ILE 149 Cb 0.03 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1ukg s ILE 149 CO -0.07 0.37 -0.01 -1.81 0.00 0.00 0.00 174.94 173.42 1ukg s ASP 150 N 1.33 4.68 -0.34 3.58 -0.00 0.98 -1.15 116.67 125.74 1ukg s ASP 150 Ca 0.05 -0.25 0.02 0.00 -0.00 0.00 0.00 52.55 52.37 1ukg s ASP 150 Cb -0.15 -1.80 0.10 0.00 -0.00 0.00 0.00 42.92 41.08 1ukg s ASP 150 CO 0.03 0.05 0.08 -0.69 -0.00 0.00 0.00 175.17 174.64 1ukg s VAL 151 N 1.09 1.84 -1.96 -1.27 1.01 -1.26 -0.82 120.40 119.03 1ukg s VAL 151 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1ukg s VAL 151 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1ukg s VAL 151 CO 0.01 -0.64 0.00 0.59 0.00 0.00 0.00 175.10 175.06 1ukg n ASN 152 N 4.35 -5.36 -3.53 3.32 3.02 -0.27 -4.94 115.26 111.85 1ukg n ASN 152 Ca 0.02 0.46 -0.18 0.00 -0.03 0.00 0.00 54.58 54.86 1ukg n ASN 152 Cb 0.41 -4.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.03 1ukg n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ukg s SER 153 N -2.76 -0.66 0.16 6.41 0.15 -1.26 -3.75 113.70 111.99 1ukg s SER 153 Ca 0.00 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.64 1ukg s SER 153 Cb 0.00 0.57 0.92 0.00 -1.71 0.00 0.00 66.02 65.80 1ukg s SER 153 CO 0.00 -0.59 1.76 0.00 1.20 0.00 0.00 173.24 175.61 1ukg n ILE 154 N 0.98 0.57 -2.93 6.45 0.13 -0.31 -4.39 119.36 119.86 1ukg n ILE 154 Ca -0.19 -0.06 -0.43 0.00 -1.10 0.00 0.00 62.75 60.97 1ukg n ILE 154 Cb 0.57 -0.74 -0.04 0.00 -0.84 0.00 0.00 39.64 38.58 1ukg n ILE 154 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1ukg s ARG 155 N -3.12 3.11 0.32 9.51 3.52 -1.26 -4.92 118.95 126.10 1ukg s ARG 155 Ca 0.09 -0.91 -0.27 0.00 -0.13 0.00 0.00 55.73 54.51 1ukg s ARG 155 Cb 0.13 -4.22 -0.13 0.00 -1.56 0.00 0.00 34.95 29.16 1ukg s ARG 155 CO 0.51 -1.70 0.98 0.43 -0.81 0.00 0.00 175.30 174.70 1ukg n SER 156 N 7.30 1.15 0.14 -2.12 7.64 -1.26 -4.81 113.62 121.66 1ukg n SER 156 Ca -0.05 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.10 1ukg n SER 156 Cb 0.45 -1.29 0.30 0.00 -1.01 0.00 0.00 64.21 62.66 1ukg n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1ukg h VAL 157 N 1.84 0.00 -2.14 0.44 -1.51 -1.49 -3.45 116.25 109.94 1ukg h VAL 157 Ca -0.40 -0.67 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 1ukg h VAL 157 Cb 1.34 1.63 -0.22 0.00 -2.13 0.00 0.00 31.29 31.91 1ukg h VAL 157 CO 0.59 0.00 0.03 -0.75 -1.23 0.00 0.00 177.57 176.22 1ukg s LYS 158 N -3.15 0.74 0.11 5.19 2.47 -1.24 -5.02 119.74 118.84 1ukg s LYS 158 Ca 0.09 0.97 -0.01 0.00 -1.56 0.00 0.00 55.97 55.46 1ukg s LYS 158 Cb 0.10 0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 36.74 1ukg s LYS 158 CO 0.64 -0.11 0.05 0.95 0.16 0.00 0.00 175.35 177.04 1ukg s THR 159 N 0.66 0.13 -0.03 3.43 -4.23 -1.26 -1.21 115.64 113.13 1ukg s THR 159 Ca -0.02 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1ukg s THR 159 Cb -0.05 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.89 1ukg s THR 159 CO -0.04 -0.58 0.08 0.54 -0.54 0.00 0.00 174.62 174.07 1ukg s VAL 160 N -4.01 0.00 0.33 2.29 0.11 -0.58 -4.98 120.40 113.56 1ukg s VAL 160 Ca 0.20 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 1ukg s VAL 160 Cb 0.07 -0.12 -0.11 0.00 -1.53 0.00 0.00 36.38 34.70 1ukg s VAL 160 CO -0.01 -0.01 1.44 -0.75 -3.33 0.00 0.00 175.10 172.44 1ukg s LYS 161 N 0.01 4.20 0.10 1.54 2.20 -1.26 -1.64 119.74 124.89 1ukg s LYS 161 Ca -0.00 2.43 0.03 0.00 -0.36 0.00 0.00 55.97 58.07 1ukg s LYS 161 Cb -0.01 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1ukg s LYS 161 CO 0.00 -0.43 -0.09 -0.46 -0.36 0.00 0.00 175.35 174.00 1ukg s TRP 162 N -0.79 1.04 -0.17 4.03 -0.00 -0.62 -4.80 118.94 117.63 1ukg s TRP 162 Ca 0.54 -0.72 -0.02 0.00 -0.00 0.00 0.00 56.10 55.91 1ukg s TRP 162 Cb -0.44 -0.57 -0.01 0.00 -0.00 0.00 0.00 33.47 32.45 1ukg s TRP 162 CO 0.55 -0.02 -0.09 -0.51 -0.00 0.00 0.00 176.95 176.88 1ukg s ASP 163 N -2.64 4.13 -0.06 5.86 1.01 -1.26 -4.39 116.67 119.32 1ukg s ASP 163 Ca 0.08 -0.36 -0.25 0.00 0.71 0.00 0.00 52.55 52.72 1ukg s ASP 163 Cb -0.01 -1.67 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 1ukg s ASP 163 CO -0.01 0.07 0.78 -0.60 0.21 0.00 0.00 175.17 175.63 1ukg s ARG 164 N 0.90 4.45 -0.27 8.23 3.52 -1.26 -5.03 118.95 129.49 1ukg s ARG 164 Ca -0.02 1.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 1ukg s ARG 164 Cb -0.15 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.85 1ukg s ARG 164 CO 0.00 -0.01 -0.03 1.03 -0.81 0.00 0.00 175.30 175.48 1ukg s ARG 165 N 1.00 1.66 0.07 5.12 0.52 -1.26 -5.09 118.95 120.97 1ukg s ARG 165 Ca 0.41 -1.27 -0.34 0.00 -0.52 0.00 0.00 55.73 54.01 1ukg s ARG 165 Cb -0.18 -2.73 -0.14 0.00 0.52 0.00 0.00 34.95 32.42 1ukg s ARG 165 CO 0.20 -0.70 1.64 -3.47 0.02 0.00 0.00 175.30 172.99 1ukg n ASP 166 N 4.54 3.02 0.00 0.23 2.03 -1.26 -2.18 116.55 122.93 1ukg n ASP 166 Ca -0.08 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1ukg n ASP 166 Cb 0.43 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1ukg n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ukg n GLY 167 N 3.62 1.53 3.78 0.27 0.00 0.16 -5.00 105.19 109.56 1ukg n GLY 167 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1ukg n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ukg s GLN 168 N -0.11 3.98 0.20 1.61 -0.21 -0.93 -4.89 119.66 119.32 1ukg s GLN 168 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1ukg s GLN 168 Cb 0.00 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 1ukg s GLN 168 CO 0.00 0.45 1.13 -1.12 -2.12 0.00 0.00 175.29 173.63 1ukg s SER 169 N -0.10 7.20 -0.18 5.90 0.01 -1.26 -4.47 113.70 120.79 1ukg s SER 169 Ca 0.13 2.18 -0.04 0.00 1.31 0.00 0.00 55.95 59.54 1ukg s SER 169 Cb -0.12 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 1ukg s SER 169 CO 0.02 -0.26 -0.03 -0.22 0.41 0.00 0.00 173.24 173.16 1ukg s LEU 170 N -0.58 3.13 -0.15 2.44 2.96 -0.03 -4.37 118.68 122.08 1ukg s LEU 170 Ca 0.49 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 1ukg s LEU 170 Cb -0.31 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1ukg s LEU 170 CO 0.37 0.09 0.37 0.20 -1.32 0.00 0.00 176.35 176.06 1ukg s ASN 171 N 0.82 6.53 -0.00 3.68 0.01 -0.23 -2.43 114.94 123.32 1ukg s ASN 171 Ca -0.01 0.62 0.06 0.00 -0.71 0.00 0.00 52.86 52.82 1ukg s ASN 171 Cb -0.14 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1ukg s ASN 171 CO 0.02 0.05 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.79 1ukg s VAL 172 N 0.58 1.41 -0.13 1.60 1.01 0.84 -0.63 120.40 125.08 1ukg s VAL 172 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1ukg s VAL 172 Cb -0.14 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1ukg s VAL 172 CO 0.06 0.35 -0.11 -0.22 0.00 0.00 0.00 175.10 175.18 1ukg s LEU 173 N -0.53 1.47 -0.15 3.92 2.96 0.26 -1.49 118.68 125.12 1ukg s LEU 173 Ca 0.07 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1ukg s LEU 173 Cb -0.07 -1.02 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1ukg s LEU 173 CO -0.00 -0.08 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.09 1ukg s VAL 174 N 1.54 2.51 0.03 1.68 1.01 0.22 -1.26 120.40 126.13 1ukg s VAL 174 Ca 0.04 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1ukg s VAL 174 Cb -0.13 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1ukg s VAL 174 CO -0.09 0.53 -0.11 0.42 0.00 0.00 0.00 175.10 175.85 1ukg s THR 175 N 0.76 0.84 -0.10 3.92 -4.23 -0.31 -0.29 115.64 116.23 1ukg s THR 175 Ca -0.07 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1ukg s THR 175 Cb -0.16 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 72.91 1ukg s THR 175 CO 0.00 -0.06 -0.13 0.12 -0.54 0.00 0.00 174.62 174.01 1ukg s PHE 176 N -0.84 1.80 -0.32 3.99 5.36 -0.33 -0.48 117.98 127.16 1ukg s PHE 176 Ca -0.01 -0.83 -0.05 0.00 -0.96 0.00 0.00 56.93 55.07 1ukg s PHE 176 Cb -0.07 -1.33 0.04 0.00 -0.34 0.00 0.00 43.02 41.31 1ukg s PHE 176 CO 0.01 -0.45 0.07 1.21 -1.46 0.00 0.00 175.22 174.60 1ukg s ASN 177 N 1.06 5.16 0.58 6.13 3.84 -0.84 -2.52 114.94 128.35 1ukg s ASN 177 Ca -0.06 -1.08 0.34 0.00 0.21 0.00 0.00 52.86 52.28 1ukg s ASN 177 Cb -0.15 -1.83 1.75 0.00 -0.55 0.00 0.00 41.25 40.47 1ukg s ASN 177 CO -0.02 -0.28 2.15 1.55 -2.79 0.00 0.00 177.10 177.71 1ukg h PRO 178 N 8.17 0.00 -0.36 0.43 0.13 -1.89 0.69 132.00 139.18 1ukg h PRO 178 Ca -0.25 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1ukg h PRO 178 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ukg h PRO 178 CO 0.59 0.05 -0.19 1.03 -0.23 0.00 0.00 178.00 179.25 1ukg h SER 179 N 0.00 0.79 0.00 1.44 0.87 -1.95 -3.29 113.55 111.41 1ukg h SER 179 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ukg h SER 179 Cb 0.26 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1ukg h SER 179 CO 0.01 1.03 -1.04 0.35 -0.53 0.00 0.00 176.83 176.64 1ukg n THR 180 N -4.28 0.00 -1.36 2.23 -2.24 -1.12 -4.99 114.28 102.52 1ukg n THR 180 Ca -0.02 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1ukg n THR 180 Cb 0.42 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 1ukg n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ukg n ARG 181 N -1.58 -0.88 -3.32 -0.78 1.74 0.24 -4.89 116.66 107.18 1ukg n ARG 181 Ca 0.01 0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 1ukg n ARG 181 Cb 0.30 -4.97 -0.06 0.00 -1.02 0.00 0.00 32.46 26.71 1ukg n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1ukg s ASN 182 N -2.85 6.76 -0.35 0.55 0.01 -1.16 -0.92 114.94 116.98 1ukg s ASN 182 Ca 0.00 0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 52.95 1ukg s ASN 182 Cb 0.00 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.37 1ukg s ASN 182 CO 0.00 0.07 0.19 -0.22 -1.51 0.00 0.00 177.10 175.62 1ukg s LEU 183 N 0.22 4.45 -0.05 0.60 2.96 0.01 -1.99 118.68 124.88 1ukg s LEU 183 Ca 0.27 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1ukg s LEU 183 Cb -0.16 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1ukg s LEU 183 CO 0.12 -0.30 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.00 1ukg s ASP 184 N 1.59 4.79 -0.08 3.68 1.01 0.37 -1.71 116.67 126.32 1ukg s ASP 184 Ca 0.03 -0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.29 1ukg s ASP 184 Cb -0.18 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.55 1ukg s ASP 184 CO 0.07 0.34 -0.12 -0.69 0.21 0.00 0.00 175.17 174.97 1ukg s VAL 185 N -0.90 1.20 -0.10 -1.27 1.01 0.05 -1.17 120.40 119.23 1ukg s VAL 185 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ukg s VAL 185 Cb -0.11 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1ukg s VAL 185 CO 0.04 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.74 1ukg s VAL 186 N 0.85 0.99 -0.04 2.92 1.01 -0.39 -1.88 120.40 123.87 1ukg s VAL 186 Ca -0.11 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1ukg s VAL 186 Cb -0.15 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1ukg s VAL 186 CO 0.01 0.35 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 1ukg s ALA 187 N 1.46 1.48 -0.00 5.51 0.00 -0.21 -0.57 121.76 129.43 1ukg s ALA 187 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1ukg s ALA 187 Cb -0.13 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1ukg s ALA 187 CO -0.05 0.29 0.03 0.95 0.00 0.00 0.00 175.76 176.98 1ukg s THR 188 N -0.07 0.05 0.42 0.00 -4.23 0.20 -0.30 115.64 111.72 1ukg s THR 188 Ca -0.01 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1ukg s THR 188 Cb -0.10 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1ukg s THR 188 CO 0.01 -0.23 0.63 -0.31 -0.54 0.00 0.00 174.62 174.18 1ukg s TYR 189 N -0.69 3.27 0.59 3.99 1.51 -0.39 -1.06 117.35 124.56 1ukg s TYR 189 Ca -0.08 0.22 0.29 0.00 -1.01 0.00 0.00 57.07 56.49 1ukg s TYR 189 Cb -0.05 -2.20 1.65 0.00 -0.11 0.00 0.00 41.96 41.25 1ukg s TYR 189 CO -0.00 -0.22 2.09 0.66 -1.11 0.00 0.00 175.55 176.97 1ukg h SER 190 N 0.52 0.00 -0.01 2.29 4.64 -1.90 -0.85 113.55 118.24 1ukg h SER 190 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ukg h SER 190 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ukg h SER 190 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1ukg n ASP 191 N -3.81 0.31 0.00 4.97 5.68 -1.26 -4.88 116.55 117.56 1ukg n ASP 191 Ca 0.02 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1ukg n ASP 191 Cb 0.34 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1ukg n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ukg n GLY 192 N 1.02 0.37 3.70 6.12 0.00 -0.32 -5.04 105.19 111.03 1ukg n GLY 192 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ukg n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukg s THR 193 N -2.09 2.79 0.05 2.61 2.01 -1.25 -4.81 115.64 114.95 1ukg s THR 193 Ca 0.00 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1ukg s THR 193 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1ukg s THR 193 CO 0.00 0.01 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.10 1ukg s ARG 194 N 2.20 1.58 -0.02 4.92 3.52 -1.26 -1.27 118.95 128.62 1ukg s ARG 194 Ca 0.74 -1.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1ukg s ARG 194 Cb -0.42 -1.73 -0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1ukg s ARG 194 CO 0.33 0.44 -0.11 0.71 -0.81 0.00 0.00 175.30 175.86 1ukg s TYR 195 N -0.81 1.03 0.00 5.12 1.51 0.59 -4.99 117.35 119.80 1ukg s TYR 195 Ca 0.10 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1ukg s TYR 195 Cb -0.09 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1ukg s TYR 195 CO 0.02 -0.06 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.16 1ukg s GLU 196 N -0.08 0.29 -0.17 -0.62 2.02 -1.26 -1.05 118.70 117.84 1ukg s GLU 196 Ca 0.01 -0.18 -0.17 0.00 0.02 0.00 0.00 54.97 54.65 1ukg s GLU 196 Cb -0.06 -0.25 0.05 0.00 0.10 0.00 0.00 34.13 33.96 1ukg s GLU 196 CO 0.00 0.07 0.48 0.54 0.02 0.00 0.00 175.26 176.37 1ukg s VAL 197 N -0.22 0.00 0.09 2.63 0.11 -0.79 -4.89 120.40 117.34 1ukg s VAL 197 Ca -0.00 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1ukg s VAL 197 Cb -0.02 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1ukg s VAL 197 CO -0.00 -0.01 0.12 -0.94 -3.33 0.00 0.00 175.10 170.93 1ukg s SER 198 N 0.13 0.25 -0.18 3.54 1.04 -1.26 -0.77 113.70 116.45 1ukg s SER 198 Ca -0.01 -0.87 -0.26 0.00 0.48 0.00 0.00 55.95 55.29 1ukg s SER 198 Cb -0.03 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.46 1ukg s SER 198 CO 0.01 -0.71 0.68 -0.47 0.98 0.00 0.00 173.24 173.73 1ukg s TYR 199 N -3.92 -0.71 -0.22 5.02 6.14 -0.69 -4.99 117.35 117.99 1ukg s TYR 199 Ca 0.10 1.57 -0.19 0.00 0.64 0.00 0.00 57.07 59.19 1ukg s TYR 199 Cb 0.06 0.30 -0.03 0.00 0.42 0.00 0.00 41.96 42.71 1ukg s TYR 199 CO -0.07 -0.45 0.53 -2.00 0.64 0.00 0.00 175.55 174.20 1ukg s GLU 200 N -0.20 4.16 -0.10 4.97 2.12 -1.26 -0.81 118.70 127.58 1ukg s GLU 200 Ca -0.04 0.41 -0.08 0.00 0.36 0.00 0.00 54.97 55.62 1ukg s GLU 200 Cb -0.03 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.80 1ukg s GLU 200 CO 0.04 -0.21 0.26 0.54 -0.54 0.00 0.00 175.26 175.35 1ukg s VAL 201 N 1.85 -0.01 -0.59 3.70 0.11 -0.09 -5.00 120.40 120.36 1ukg s VAL 201 Ca 0.24 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.12 1ukg s VAL 201 Cb -0.15 -0.38 0.08 0.00 -1.53 0.00 0.00 36.38 34.40 1ukg s VAL 201 CO 0.09 0.02 0.78 -0.62 -3.33 0.00 0.00 175.10 172.04 1ukg s ASP 202 N 0.44 6.20 0.56 3.54 -1.08 -1.26 -4.73 116.67 120.34 1ukg s ASP 202 Ca -0.02 -1.12 0.25 0.00 -0.52 0.00 0.00 52.55 51.13 1ukg s ASP 202 Cb -0.04 -2.34 1.59 0.00 -1.46 0.00 0.00 42.92 40.67 1ukg s ASP 202 CO -0.02 -1.17 2.17 -0.37 0.52 0.00 0.00 175.17 176.30 1ukg h VAL 203 N 5.93 0.67 0.00 1.11 -1.51 -1.96 -2.22 116.25 118.27 1ukg h VAL 203 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1ukg h VAL 203 Cb 1.08 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1ukg h VAL 203 CO 1.10 0.00 -0.07 0.03 -1.23 0.00 0.00 177.57 177.39 1ukg h ARG 204 N 0.00 0.00 -0.12 5.19 3.08 -1.91 -0.67 114.38 119.96 1ukg h ARG 204 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ukg h ARG 204 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ukg h ARG 204 CO -0.00 0.07 0.00 -1.13 -1.07 0.00 0.00 179.97 177.84 1ukg n SER 205 N -4.43 2.06 -0.01 7.04 3.41 -0.83 -4.37 113.62 116.48 1ukg n SER 205 Ca -0.03 -1.72 -0.02 0.00 -0.26 0.00 0.00 58.87 56.84 1ukg n SER 205 Cb 0.15 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1ukg n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ukg n VAL 206 N 0.59 0.17 -4.39 -3.33 0.31 -0.79 -5.09 118.33 105.80 1ukg n VAL 206 Ca 0.17 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.20 1ukg n VAL 206 Cb 0.42 -0.62 -0.11 0.00 -0.91 0.00 0.00 33.84 32.61 1ukg n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ukg s LEU 207 N -5.13 2.47 1.08 7.52 1.43 -0.32 -4.62 118.68 121.11 1ukg s LEU 207 Ca -0.04 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.02 1ukg s LEU 207 Cb 0.01 -0.99 0.23 0.00 0.03 0.00 0.00 46.19 45.47 1ukg s LEU 207 CO 0.07 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 1ukg s PRO 208 N -2.92 -0.22 0.28 1.29 0.04 -1.26 -4.63 135.00 127.57 1ukg s PRO 208 Ca 0.20 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1ukg s PRO 208 Cb -0.06 -1.67 0.38 0.00 0.04 0.00 0.00 34.50 33.19 1ukg s PRO 208 CO 0.09 -3.14 1.89 0.93 0.04 0.00 0.00 177.00 176.81 1ukg h GLU 209 N -2.18 1.02 -5.95 4.56 5.08 -1.95 -3.42 114.58 111.74 1ukg h GLU 209 Ca -0.53 -0.12 -0.68 0.00 -1.00 0.00 0.00 59.36 57.03 1ukg h GLU 209 Cb 1.33 -0.20 -0.22 0.00 0.50 0.00 0.00 28.75 30.16 1ukg h GLU 209 CO 0.51 0.77 -0.73 -1.58 -1.00 0.00 0.00 179.01 176.99 1ukg s TRP 210 N -5.64 2.85 0.30 4.33 0.52 -1.26 -0.70 118.94 119.34 1ukg s TRP 210 Ca -0.11 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1ukg s TRP 210 Cb 0.17 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1ukg s TRP 210 CO 0.80 0.15 0.27 0.14 0.02 0.00 0.00 176.95 178.33 1ukg s VAL 211 N -0.44 0.00 0.09 4.03 -7.23 -0.35 -4.36 120.40 112.14 1ukg s VAL 211 Ca 0.06 -1.94 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1ukg s VAL 211 Cb -0.12 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1ukg s VAL 211 CO 0.02 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.48 1ukg s ARG 212 N -3.60 1.12 0.14 4.82 0.52 -0.02 -0.23 118.95 121.71 1ukg s ARG 212 Ca 0.39 -1.10 0.11 0.00 -0.52 0.00 0.00 55.73 54.61 1ukg s ARG 212 Cb 0.03 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.13 1ukg s ARG 212 CO 0.22 0.31 -0.26 0.14 0.02 0.00 0.00 175.30 175.74 1ukg s VAL 213 N -1.11 2.31 0.00 3.52 -7.23 -1.26 -1.88 120.40 114.74 1ukg s VAL 213 Ca 0.05 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1ukg s VAL 213 Cb -0.10 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1ukg s VAL 213 CO 0.04 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1ukg n GLY 214 N 0.77 0.88 3.14 2.32 0.00 -0.68 -1.68 105.19 109.93 1ukg n GLY 214 Ca -0.17 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1ukg n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ukg s PHE 215 N -1.98 0.93 0.02 1.61 0.40 -0.31 -1.03 117.98 117.62 1ukg s PHE 215 Ca 0.00 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1ukg s PHE 215 Cb 0.00 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 1ukg s PHE 215 CO 0.00 -0.04 -0.01 0.45 0.70 0.00 0.00 175.22 176.32 1ukg s SER 216 N -2.20 0.22 0.06 1.36 0.15 -0.20 -1.34 113.70 111.75 1ukg s SER 216 Ca 0.01 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 55.97 1ukg s SER 216 Cb -0.04 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1ukg s SER 216 CO -0.00 -0.32 0.49 0.00 1.20 0.00 0.00 173.24 174.60 1ukg s ALA 217 N -1.55 -1.23 0.11 5.45 0.00 -0.68 -0.51 121.76 123.37 1ukg s ALA 217 Ca -0.15 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1ukg s ALA 217 Cb -0.09 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1ukg s ALA 217 CO -0.01 -0.51 0.46 0.00 0.00 0.00 0.00 175.76 175.69 1ukg s ALA 218 N -2.61 -1.13 -0.03 0.00 0.00 -1.16 -1.98 121.76 114.85 1ukg s ALA 218 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1ukg s ALA 218 Cb -0.00 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1ukg s ALA 218 CO -0.03 -0.63 0.05 -1.12 0.00 0.00 0.00 175.76 174.03 1ukg s SER 219 N -2.59 0.56 0.00 0.00 0.01 -0.19 -0.24 113.70 111.25 1ukg s SER 219 Ca 0.01 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1ukg s SER 219 Cb 0.01 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1ukg s SER 219 CO -0.10 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1ukg n GLY 220 N 4.72 0.50 0.18 3.44 0.00 -1.26 -1.42 105.19 111.35 1ukg n GLY 220 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 1ukg n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ukg h GLU 221 N 0.00 0.00 -6.09 1.61 5.08 -1.97 -0.84 114.58 112.37 1ukg h GLU 221 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1ukg h GLU 221 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1ukg h GLU 221 CO 0.00 0.41 -0.52 -0.65 -1.00 0.00 0.00 179.01 177.25 1ukg s GLN 222 N -3.54 3.20 0.17 2.33 -1.52 -1.26 -4.87 119.66 114.17 1ukg s GLN 222 Ca 0.00 -0.66 -0.04 0.00 -1.95 0.00 0.00 55.36 52.71 1ukg s GLN 222 Cb 0.11 -2.85 -0.03 0.00 -0.22 0.00 0.00 33.01 30.02 1ukg s GLN 222 CO 0.70 0.53 0.18 1.52 -0.25 0.00 0.00 175.29 177.97 1ukg s TYR 223 N -1.65 0.74 -0.18 0.91 1.13 -1.25 -4.29 117.35 112.75 1ukg s TYR 223 Ca 0.33 -1.07 -0.34 0.00 -1.41 0.00 0.00 57.07 54.58 1ukg s TYR 223 Cb -0.11 -0.31 0.14 0.00 -1.10 0.00 0.00 41.96 40.58 1ukg s TYR 223 CO 0.26 -0.65 1.18 1.14 -2.51 0.00 0.00 175.55 174.97 1ukg s GLN 224 N -4.04 0.35 0.43 -3.49 -2.07 -1.13 -3.72 119.66 105.99 1ukg s GLN 224 Ca 0.25 -0.10 -0.18 0.00 -1.82 0.00 0.00 55.36 53.51 1ukg s GLN 224 Cb 0.05 0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 32.04 1ukg s GLN 224 CO 0.04 -0.14 0.90 0.95 -1.32 0.00 0.00 175.29 175.72 1ukg s THR 225 N -2.24 4.52 -0.48 3.63 -4.23 0.15 -4.85 115.64 112.13 1ukg s THR 225 Ca 0.08 1.24 0.03 0.00 -1.18 0.00 0.00 61.69 61.86 1ukg s THR 225 Cb -0.01 -3.65 0.14 0.00 1.34 0.00 0.00 72.50 70.32 1ukg s THR 225 CO -0.05 -0.41 0.27 -1.00 -0.54 0.00 0.00 174.62 172.88 1ukg s HIS 226 N -2.28 2.34 -0.40 3.99 0.09 -1.26 -3.29 115.29 114.47 1ukg s HIS 226 Ca 0.59 -2.66 -0.17 0.00 -0.00 0.00 0.00 55.06 52.81 1ukg s HIS 226 Cb -0.10 -2.12 0.01 0.00 -0.00 0.00 0.00 32.58 30.38 1ukg s HIS 226 CO 0.20 -0.76 0.46 0.99 -0.00 0.00 0.00 174.74 175.63 1ukg s THR 227 N 0.06 5.06 -0.33 1.30 2.01 -0.72 -2.04 115.64 120.98 1ukg s THR 227 Ca 0.19 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 1ukg s THR 227 Cb -0.22 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1ukg s THR 227 CO -0.02 -0.35 0.71 -0.22 -0.69 0.00 0.00 174.62 174.05 1ukg s LEU 228 N 2.23 4.15 -0.12 4.42 2.96 -0.13 -1.38 118.68 130.81 1ukg s LEU 228 Ca 0.14 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1ukg s LEU 228 Cb -0.16 -2.92 -0.24 0.00 0.50 0.00 0.00 46.19 43.37 1ukg s LEU 228 CO 0.14 -0.60 0.38 -0.62 -1.32 0.00 0.00 176.35 174.33 1ukg n GLU 229 N 6.12 0.68 -3.52 1.98 1.02 -0.06 -1.29 120.64 125.57 1ukg n GLU 229 Ca 0.01 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1ukg n GLU 229 Cb 0.48 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1ukg n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ukg s SER 230 N -6.26 -0.42 -0.28 1.62 1.04 -1.21 -4.27 113.70 103.91 1ukg s SER 230 Ca -0.13 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 1ukg s SER 230 Cb 0.07 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.84 1ukg s SER 230 CO 0.79 -0.90 0.81 0.86 0.98 0.00 0.00 173.24 175.78 1ukg s TRP 231 N -3.64 -0.86 0.04 5.02 -0.00 -0.36 -2.51 118.94 116.64 1ukg s TRP 231 Ca 0.01 1.72 0.04 0.00 -0.00 0.00 0.00 56.10 57.87 1ukg s TRP 231 Cb 0.00 0.51 -0.02 0.00 -0.00 0.00 0.00 33.47 33.96 1ukg s TRP 231 CO -0.11 -0.43 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.75 1ukg s SER 232 N 1.52 1.37 -0.09 5.86 1.04 0.40 0.61 113.70 124.41 1ukg s SER 232 Ca -0.10 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 1ukg s SER 232 Cb -0.04 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.05 1ukg s SER 232 CO -0.18 -0.05 0.29 0.12 0.98 0.00 0.00 173.24 174.40 1ukg s PHE 233 N -1.01 -0.29 -0.09 5.02 2.19 -0.29 -1.09 117.98 122.42 1ukg s PHE 233 Ca -0.02 0.68 -0.07 0.00 0.33 0.00 0.00 56.93 57.85 1ukg s PHE 233 Cb -0.08 0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.76 1ukg s PHE 233 CO 0.01 -0.19 0.22 -0.08 1.83 0.00 0.00 175.22 177.02 1ukg s THR 234 N -0.09 -0.01 0.00 0.12 -1.32 -0.63 -1.12 115.64 112.59 1ukg s THR 234 Ca -0.02 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1ukg s THR 234 Cb -0.03 -0.33 -0.01 0.00 -1.51 0.00 0.00 72.50 70.63 1ukg s THR 234 CO 0.01 0.02 -0.01 -0.94 -2.21 0.00 0.00 174.62 171.49 1ukg s SER 235 N 0.44 0.08 -0.07 8.08 1.04 -0.08 -1.10 113.70 122.09 1ukg s SER 235 Ca -0.03 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 1ukg s SER 235 Cb -0.04 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.14 1ukg s SER 235 CO -0.02 -0.07 0.14 -0.89 0.98 0.00 0.00 173.24 173.37 1ukg s THR 236 N -0.36 -0.14 0.11 2.02 2.01 -0.53 -1.63 115.64 117.12 1ukg s THR 236 Ca -0.04 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 1ukg s THR 236 Cb -0.02 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 1ukg s THR 236 CO -0.00 0.11 1.29 -0.76 -0.69 0.00 0.00 174.62 174.57 1ukg s LEU 237 N 1.67 4.38 0.10 4.42 1.43 -0.52 -1.07 118.68 129.09 1ukg s LEU 237 Ca -0.03 2.22 0.05 0.00 -1.03 0.00 0.00 54.13 55.33 1ukg s LEU 237 Cb -0.12 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1ukg s LEU 237 CO -0.05 -0.54 -0.12 -0.76 0.23 0.00 0.00 176.35 175.10 1ukg s LEU 238 N 0.79 2.37 -0.17 1.79 1.43 -0.66 -4.94 118.68 119.29 1ukg s LEU 238 Ca 0.60 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 1ukg s LEU 238 Cb -0.34 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1ukg s LEU 238 CO 0.31 -0.18 0.26 -0.31 0.23 0.00 0.00 176.35 176.67 1ukg s TYR 239 N -2.01 3.46 -0.04 0.29 2.02 -1.26 -2.09 117.35 117.72 1ukg s TYR 239 Ca 0.04 0.55 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 1ukg s TYR 239 Cb -0.06 -2.30 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1ukg s TYR 239 CO 0.02 0.26 -0.05 0.99 -1.57 0.00 0.00 175.55 175.19 1ukg s THR 240 N 0.41 0.56 0.00 -0.71 2.01 -1.26 -5.06 115.64 111.59 1ukg s THR 240 Ca 0.15 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1ukg s THR 240 Cb -0.13 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1ukg s THR 240 CO 0.03 0.22 0.00 0.00 -0.69 0.00 0.00 174.62 174.18