#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 1.71 -0.15 -2.24 1.04 -1.26 -1.46 113.70 111.33 1ukg s SER 3 Ca 0.00 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 1ukg s SER 3 Cb 0.00 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1ukg s SER 3 CO 0.00 0.09 0.40 -0.22 0.98 0.00 0.00 173.24 174.49 1ukg s LEU 4 N -0.87 0.35 -0.00 2.42 2.96 -0.43 -5.01 118.68 118.10 1ukg s LEU 4 Ca 0.03 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 54.59 1ukg s LEU 4 Cb -0.07 1.37 0.03 0.00 0.50 0.00 0.00 46.19 48.02 1ukg s LEU 4 CO 0.01 -0.15 0.37 -0.94 -1.32 0.00 0.00 176.35 174.32 1ukg s SER 5 N 0.45 -0.25 0.02 3.68 1.04 -1.26 -0.84 113.70 116.53 1ukg s SER 5 Ca -0.02 0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 1ukg s SER 5 Cb -0.04 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.50 1ukg s SER 5 CO -0.02 -0.52 0.55 0.72 0.98 0.00 0.00 173.24 174.96 1ukg s PHE 6 N -1.60 -0.48 -0.02 5.02 -0.12 -0.46 -5.00 117.98 115.31 1ukg s PHE 6 Ca -0.11 0.65 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 1ukg s PHE 6 Cb -0.03 0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1ukg s PHE 6 CO 0.03 -0.62 0.01 0.20 -0.05 0.00 0.00 175.22 174.80 1ukg s GLY 7 N -1.69 0.11 -0.52 1.99 0.00 -1.26 -1.10 107.32 104.84 1ukg s GLY 7 Ca -0.08 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1ukg s GLY 7 CO 0.02 0.48 0.27 -1.36 0.00 0.00 0.00 173.10 172.51 1ukg s PHE 8 N 0.77 3.15 0.46 1.90 0.40 0.17 -4.94 117.98 119.88 1ukg s PHE 8 Ca -0.07 -3.16 0.17 0.00 -0.60 0.00 0.00 56.93 53.27 1ukg s PHE 8 Cb -0.10 -2.78 1.11 0.00 0.51 0.00 0.00 43.02 41.76 1ukg s PHE 8 CO -0.02 -0.74 2.03 -1.35 0.70 0.00 0.00 175.22 175.84 1ukg h PRO 9 N 6.47 0.00 -4.05 0.24 0.11 -1.91 -1.19 132.00 131.66 1ukg h PRO 9 Ca -0.07 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.81 1ukg h PRO 9 Cb 0.89 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.91 1ukg h PRO 9 CO 0.68 0.15 -0.20 0.95 -0.21 0.00 0.00 178.00 179.37 1ukg s THR 10 N -4.64 0.00 -0.57 -1.15 -4.23 -1.26 -4.54 115.64 99.25 1ukg s THR 10 Ca -0.04 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1ukg s THR 10 Cb 0.16 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.60 1ukg s THR 10 CO 0.68 0.00 0.37 -0.36 -0.54 0.00 0.00 174.62 174.77 1ukg s PHE 11 N -3.32 2.75 0.70 3.99 0.08 -0.43 -4.96 117.98 116.79 1ukg s PHE 11 Ca 0.29 -2.95 -0.16 0.00 0.12 0.00 0.00 56.93 54.24 1ukg s PHE 11 Cb 0.00 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1ukg s PHE 11 CO 0.17 -0.68 1.24 -2.14 -0.10 0.00 0.00 175.22 173.71 1ukg s PRO 12 N -0.60 2.30 0.63 0.24 0.02 -1.26 -3.53 135.00 132.80 1ukg s PRO 12 Ca 0.23 1.88 0.40 0.00 0.02 0.00 0.00 61.00 63.53 1ukg s PRO 12 Cb -0.11 -1.84 2.14 0.00 0.02 0.00 0.00 34.50 34.71 1ukg s PRO 12 CO -0.10 -1.74 2.28 0.66 -0.33 0.00 0.00 177.00 177.77 1ukg h SER 13 N 0.05 0.00 -2.08 2.53 4.64 -1.96 -3.35 113.55 113.37 1ukg h SER 13 Ca -0.49 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.11 1ukg h SER 13 Cb 1.31 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.23 1ukg h SER 13 CO 0.51 0.01 1.34 -0.62 -0.87 0.00 0.00 176.83 177.20 1ukg s ASP 14 N -5.43 6.97 -0.03 4.97 2.15 -1.26 -4.99 116.67 119.05 1ukg s ASP 14 Ca -0.04 -2.76 -0.01 0.00 0.43 0.00 0.00 52.55 50.17 1ukg s ASP 14 Cb 0.13 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1ukg s ASP 14 CO 0.46 -0.85 0.04 -1.10 -0.17 0.00 0.00 175.17 173.55 1ukg s GLN 15 N 2.05 2.99 0.00 4.34 -1.52 -1.26 -5.01 119.66 121.25 1ukg s GLN 15 Ca 0.42 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 1ukg s GLN 15 Cb -0.03 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 1ukg s GLN 15 CO -0.01 0.66 0.00 1.63 -0.25 0.00 0.00 175.29 177.32 1ukg n LYS 16 N 1.53 2.35 -0.70 2.91 4.76 -1.26 -4.82 118.16 122.93 1ukg n LYS 16 Ca -0.15 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.33 1ukg n LYS 16 Cb 0.53 -0.87 0.30 0.00 -1.84 0.00 0.00 35.03 33.15 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 -1.41 4.47 -4.38 4.39 3.02 -1.26 -4.95 115.26 115.14 1ukg n ASN 17 Ca 0.00 -3.09 -0.32 0.00 -0.03 0.00 0.00 54.58 51.13 1ukg n ASN 17 Cb 0.21 -0.63 -0.15 0.00 -0.61 0.00 0.00 39.78 38.61 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 -2.88 2.49 -0.30 3.41 1.43 -1.26 -0.73 118.68 120.83 1ukg s LEU 18 Ca 0.48 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1ukg s LEU 18 Cb 0.39 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1ukg s LEU 18 CO 0.11 0.27 0.28 -0.63 0.23 0.00 0.00 176.35 176.61 1ukg s ILE 19 N -0.29 5.24 -0.18 -0.59 1.01 0.31 -4.91 121.20 121.79 1ukg s ILE 19 Ca 0.01 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 1ukg s ILE 19 Cb -0.13 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1ukg s ILE 19 CO 0.03 0.10 0.21 -0.36 0.00 0.00 0.00 174.94 174.92 1ukg s PHE 20 N 1.88 3.44 0.06 3.97 0.08 -1.26 -1.49 117.98 124.66 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 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1ukg s PHE 20 CO 0.11 0.28 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.67 1ukg s GLN 21 N 0.37 1.17 5.56 0.44 -0.21 -0.06 -5.01 119.66 121.93 1ukg s GLN 21 Ca 0.12 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.54 1ukg s GLN 21 Cb -0.12 -1.31 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1ukg s GLN 21 CO 0.01 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1ukg n GLY 22 N 1.59 1.94 0.50 3.09 0.00 -1.26 -1.40 105.19 109.64 1ukg n GLY 22 Ca -0.18 -0.56 0.13 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 3.01 1.54 -4.72 1.61 8.00 0.32 -4.94 116.55 121.37 1ukg n ASP 23 Ca 0.00 -1.54 -0.43 0.00 0.71 0.00 0.00 54.79 53.53 1ukg n ASP 23 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1ukg n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ukg n ALA 24 N 0.21 1.76 -3.53 2.24 0.00 -1.16 -4.52 120.51 115.51 1ukg n ALA 24 Ca 0.18 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1ukg n ALA 24 Cb 0.35 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 1ukg n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ukg s GLN 25 N -1.28 1.07 0.00 0.00 -2.07 -0.80 -4.76 119.66 111.83 1ukg s GLN 25 Ca 0.60 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 53.48 1ukg s GLN 25 Cb -0.55 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 31.78 1ukg s GLN 25 CO 0.57 -0.47 0.63 0.42 -1.32 0.00 0.00 175.29 175.11 1ukg s ILE 26 N -3.39 4.87 -0.17 3.63 -1.09 -1.26 -0.60 121.20 123.19 1ukg s ILE 26 Ca 0.05 1.32 -0.09 0.00 -2.23 0.00 0.00 60.65 59.70 1ukg s ILE 26 Cb -0.01 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1ukg s ILE 26 CO -0.08 0.41 0.42 -0.54 -1.23 0.00 0.00 174.94 173.91 1ukg s LYS 27 N -0.16 0.39 -1.34 2.79 1.02 -0.20 -4.93 119.74 117.31 1ukg s LYS 27 Ca 0.32 0.82 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 1ukg s LYS 27 Cb -0.19 0.00 0.01 0.00 -0.52 0.00 0.00 37.83 37.14 1ukg s LYS 27 CO 0.18 -0.17 0.69 0.09 -0.92 0.00 0.00 175.35 175.23 1ukg n ASN 28 N 4.35 -1.36 -1.87 2.83 3.02 -1.26 -2.01 115.26 118.96 1ukg n ASN 28 Ca -0.22 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.29 1ukg n ASN 28 Cb 0.55 -3.92 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 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 -3.03 -5.40 -4.07 6.41 3.02 -1.25 -4.96 115.26 105.98 1ukg n ASN 29 Ca -0.27 0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1ukg n ASN 29 Cb 0.67 -4.68 -0.10 0.00 -0.61 0.00 0.00 39.78 35.05 1ukg n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukg s ALA 30 N -2.80 0.45 -0.26 5.41 0.00 -0.85 -1.31 121.76 122.40 1ukg s ALA 30 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1ukg s ALA 30 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1ukg s ALA 30 CO 0.00 -0.39 0.45 0.08 0.00 0.00 0.00 175.76 175.90 1ukg s VAL 31 N -3.92 5.11 -0.52 0.00 1.01 -0.28 -1.04 120.40 120.77 1ukg s VAL 31 Ca 0.08 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 1ukg s VAL 31 Cb 0.08 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1ukg s VAL 31 CO -0.09 0.12 0.57 -1.10 0.00 0.00 0.00 175.10 174.59 1ukg s GLN 32 N 2.19 3.05 0.16 2.72 -1.52 0.23 -0.80 119.66 125.69 1ukg s GLN 32 Ca 0.19 -1.20 -0.11 0.00 -1.95 0.00 0.00 55.36 52.28 1ukg s GLN 32 Cb -0.16 -4.17 0.02 0.00 -0.22 0.00 0.00 33.01 28.49 1ukg s GLN 32 CO 0.09 -1.25 1.59 -0.07 -0.25 0.00 0.00 175.29 175.40 1ukg h LEU 33 N 9.41 0.95 -9.70 2.90 3.38 -1.60 -2.12 115.31 118.53 1ukg h LEU 33 Ca -0.28 -0.34 -0.61 0.00 0.09 0.00 0.00 57.88 56.74 1ukg h LEU 33 Cb 1.10 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1ukg h LEU 33 CO 0.98 1.07 -0.58 0.42 0.09 0.00 0.00 178.44 180.41 1ukg s THR 34 N -4.89 4.54 0.47 0.22 -4.23 -1.26 -2.96 115.64 107.52 1ukg s THR 34 Ca -0.12 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 1ukg s THR 34 Cb 0.12 -3.24 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1ukg s THR 34 CO 0.85 0.02 1.40 -0.75 -0.54 0.00 0.00 174.62 175.60 1ukg s LYS 35 N -2.71 3.60 0.03 3.99 2.20 -1.26 -4.78 119.74 120.81 1ukg s LYS 35 Ca 0.30 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 58.29 1ukg s LYS 35 Cb -0.11 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 1ukg s LYS 35 CO 0.23 -0.86 -0.08 0.95 -0.36 0.00 0.00 175.35 175.22 1ukg s THR 36 N -1.23 0.59 0.27 3.43 -4.23 -1.26 -3.13 115.64 110.07 1ukg s THR 36 Ca 0.63 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1ukg s THR 36 Cb -0.42 -0.59 0.06 0.00 1.34 0.00 0.00 72.50 72.89 1ukg s THR 36 CO 0.54 -0.17 0.27 -0.90 -0.54 0.00 0.00 174.62 173.82 1ukg n ASP 37 N 1.98 -0.83 0.30 3.99 5.68 0.00 -4.79 116.55 122.88 1ukg n ASP 37 Ca -0.19 -0.80 0.16 0.00 -0.50 0.00 0.00 54.79 53.45 1ukg n ASP 37 Cb 0.56 -0.23 0.93 0.00 -1.14 0.00 0.00 41.12 41.23 1ukg n ASP 37 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ukg h SER 38 N -1.07 0.00 0.04 -1.12 4.64 -2.02 -1.08 113.55 112.94 1ukg h SER 38 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ukg h SER 38 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1ukg h SER 38 CO 0.06 0.02 -0.08 0.59 -0.87 0.00 0.00 176.83 176.55 1ukg n ASN 39 N -3.73 1.58 0.00 4.97 3.02 -1.26 -4.93 115.26 114.91 1ukg n ASN 39 Ca -0.03 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1ukg n ASN 39 Cb 0.10 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1ukg n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ukg n GLY 40 N 1.24 0.68 3.81 7.41 0.00 -0.41 -5.05 105.19 112.88 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 -2.04 7.12 0.57 1.61 0.02 -1.26 -4.77 114.94 116.19 1ukg s ASN 41 Ca 0.00 1.40 -0.19 0.00 -1.02 0.00 0.00 52.86 53.06 1ukg s ASN 41 Cb 0.00 -2.41 -0.05 0.00 0.02 0.00 0.00 41.25 38.81 1ukg s ASN 41 CO 0.00 0.14 1.15 -2.16 0.02 0.00 0.00 177.10 176.25 1ukg s PRO 42 N -1.59 3.17 0.19 -0.60 0.04 -1.26 -0.82 135.00 134.14 1ukg s PRO 42 Ca 0.38 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1ukg s PRO 42 Cb -0.19 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1ukg s PRO 42 CO 0.22 -1.01 -0.11 0.14 0.04 0.00 0.00 177.00 176.28 1ukg s VAL 43 N -1.77 1.45 0.80 -0.36 -7.23 -1.18 -4.84 120.40 107.27 1ukg s VAL 43 Ca 0.74 -2.13 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 1ukg s VAL 43 Cb -0.26 -2.02 0.08 0.00 0.56 0.00 0.00 36.38 34.74 1ukg s VAL 43 CO 0.30 -0.61 1.16 0.00 -0.31 0.00 0.00 175.10 175.65 1ukg s ALA 44 N -3.15 2.60 -0.97 1.32 0.00 -1.26 -4.56 121.76 115.74 1ukg s ALA 44 Ca 0.21 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1ukg s ALA 44 Cb 0.01 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1ukg s ALA 44 CO 0.05 -1.66 0.76 0.43 0.00 0.00 0.00 175.76 175.34 1ukg n SER 45 N -3.32 -6.12 -3.90 0.00 7.64 -0.36 -4.98 113.62 102.58 1ukg n SER 45 Ca 0.08 -0.71 -0.11 0.00 1.01 0.00 0.00 58.87 59.14 1ukg n SER 45 Cb 0.60 -3.90 -0.11 0.00 -1.01 0.00 0.00 64.21 59.79 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 -3.25 0.07 -0.06 0.44 -1.32 -0.64 -5.01 115.64 105.87 1ukg s THR 46 Ca 0.27 -0.57 -0.06 0.00 -1.21 0.00 0.00 61.69 60.13 1ukg s THR 46 Cb -0.08 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.64 1ukg s THR 46 CO 0.82 -0.31 0.17 -0.69 -2.21 0.00 0.00 174.62 172.39 1ukg s VAL 47 N -1.00 0.01 -0.03 5.08 1.01 -1.26 -1.14 120.40 123.06 1ukg s VAL 47 Ca -0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1ukg s VAL 47 Cb -0.06 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1ukg s VAL 47 CO 0.00 -0.02 0.50 -0.83 0.00 0.00 0.00 175.10 174.74 1ukg s GLY 48 N -0.01 -0.37 0.07 4.51 0.00 -0.87 -0.52 107.32 110.13 1ukg s GLY 48 Ca -0.01 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 1ukg s GLY 48 CO 0.00 0.54 0.20 0.50 0.00 0.00 0.00 173.10 174.35 1ukg s ARG 49 N -1.25 0.80 0.03 2.90 0.52 -0.49 -1.82 118.95 119.63 1ukg s ARG 49 Ca -0.12 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 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 0.07 -0.25 -0.06 0.96 0.02 0.00 0.00 175.30 176.04 1ukg s ILE 50 N -3.35 0.43 0.02 1.52 -4.36 8.91 -0.88 121.20 123.49 1ukg s ILE 50 Ca 0.01 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1ukg s ILE 50 Cb 0.02 -0.51 -0.02 0.00 1.25 0.00 0.00 42.46 43.21 1ukg s ILE 50 CO -0.08 -0.36 -0.04 -0.76 0.24 0.00 0.00 174.94 173.94 1ukg s LEU 51 N -1.41 2.19 0.26 0.37 2.01 -0.56 -1.32 118.68 120.21 1ukg s LEU 51 Ca -0.10 -0.41 -0.30 0.00 0.01 0.00 0.00 54.13 53.34 1ukg s LEU 51 Cb -0.09 -0.01 -0.09 0.00 0.01 0.00 0.00 46.19 46.01 1ukg s LEU 51 CO 0.00 -0.20 1.00 0.12 1.01 0.00 0.00 176.35 178.28 1ukg s PHE 52 N -1.12 3.81 0.13 0.29 5.36 -0.64 -0.53 117.98 125.28 1ukg s PHE 52 Ca -0.11 1.83 -0.15 0.00 -0.96 0.00 0.00 56.93 57.54 1ukg s PHE 52 Cb -0.08 -3.10 -0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1ukg s PHE 52 CO -0.00 0.05 1.64 0.66 -1.46 0.00 0.00 175.22 176.10 1ukg h SER 53 N 3.96 0.64 -3.62 6.13 4.64 -1.28 -3.43 113.55 120.59 1ukg h SER 53 Ca -0.46 -0.23 -0.52 0.00 -0.47 0.00 0.00 61.79 60.11 1ukg h SER 53 Cb 1.20 -0.17 0.05 0.00 -0.31 0.00 0.00 62.40 63.18 1ukg h SER 53 CO 0.67 0.70 0.65 0.00 -0.87 0.00 0.00 176.83 177.99 1ukg s ALA 54 N -5.31 3.52 0.33 5.18 0.00 -1.26 -4.99 121.76 119.23 1ukg s ALA 54 Ca -0.13 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 1ukg s ALA 54 Cb 0.10 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1ukg s ALA 54 CO 0.77 -0.59 0.94 -0.65 0.00 0.00 0.00 175.76 176.24 1ukg s GLN 55 N -0.96 4.54 -0.19 0.00 -0.21 -1.26 -4.82 119.66 116.76 1ukg s GLN 55 Ca 0.53 1.30 -0.09 0.00 0.02 0.00 0.00 55.36 57.11 1ukg s GLN 55 Cb -0.38 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1ukg s GLN 55 CO 0.45 0.25 0.12 0.08 -2.12 0.00 0.00 175.29 174.08 1ukg s VAL 56 N -1.67 5.35 -0.78 1.09 1.01 0.77 -4.92 120.40 121.26 1ukg s VAL 56 Ca 0.51 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 1ukg s VAL 56 Cb -0.18 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.86 1ukg s VAL 56 CO 0.23 0.47 1.10 -2.28 0.00 0.00 0.00 175.10 174.62 1ukg s HIS 57 N 0.18 2.72 0.11 5.22 2.46 -1.26 -1.34 115.29 123.38 1ukg s HIS 57 Ca 0.08 -0.74 -0.13 0.00 0.47 0.00 0.00 55.06 54.75 1ukg s HIS 57 Cb -0.11 -4.38 -0.12 0.00 -0.13 0.00 0.00 32.58 27.84 1ukg s HIS 57 CO -0.01 -1.70 1.36 1.25 -2.47 0.00 0.00 174.74 173.17 1ukg h LEU 58 N 11.51 0.94 -7.22 8.88 5.85 -1.03 -3.43 115.31 130.80 1ukg h LEU 58 Ca -0.11 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 1ukg h LEU 58 Cb 1.05 -0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.67 1ukg h LEU 58 CO 1.21 1.34 0.05 -1.66 -0.34 0.00 0.00 178.44 179.03 1ukg s TRP 59 N -3.99 -0.37 -0.22 1.25 1.48 -1.12 -0.30 118.94 115.66 1ukg s TRP 59 Ca -0.11 0.16 -0.01 0.00 -1.06 0.00 0.00 56.10 55.08 1ukg s TRP 59 Cb 0.09 0.38 0.06 0.00 -1.16 0.00 0.00 33.47 32.85 1ukg s TRP 59 CO 0.89 -0.74 0.00 -2.00 -4.06 0.00 0.00 176.95 171.04 1ukg s GLU 60 N -3.50 1.10 0.18 3.25 2.12 -0.28 -4.58 118.70 117.00 1ukg s GLU 60 Ca 0.01 -0.76 -0.13 0.00 0.36 0.00 0.00 54.97 54.45 1ukg s GLU 60 Cb 0.00 -2.33 0.16 0.00 0.26 0.00 0.00 34.13 32.23 1ukg s GLU 60 CO -0.10 -0.66 1.74 -0.22 -0.54 0.00 0.00 175.26 175.48 1ukg h LYS 61 N 8.09 0.30 -0.65 4.30 3.64 -1.97 0.38 116.57 130.66 1ukg h LYS 61 Ca -0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ukg h LYS 61 Cb 1.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1ukg h LYS 61 CO 0.38 0.20 0.36 0.66 -2.27 0.00 0.00 179.45 178.78 1ukg h SER 62 N 0.31 0.80 -0.02 4.20 4.64 -1.97 -2.95 113.55 118.56 1ukg h SER 62 Ca 0.23 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ukg h SER 62 Cb 0.26 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ukg h SER 62 CO -0.26 0.64 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.53 1ukg n SER 63 N -4.38 2.39 -2.30 4.97 3.41 -1.08 -4.97 113.62 111.66 1ukg n SER 63 Ca 0.06 -1.69 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 1ukg n SER 63 Cb 0.10 0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.52 -5.64 -4.83 4.04 2.88 0.10 -4.93 113.62 105.75 1ukg n SER 64 Ca 0.11 -0.05 -0.27 0.00 -1.33 0.00 0.00 58.87 57.33 1ukg n SER 64 Cb 0.51 -4.65 -0.05 0.00 -0.75 0.00 0.00 64.21 59.27 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 -5.05 3.04 0.01 -1.46 0.52 -1.07 -3.75 118.95 111.19 1ukg s ARG 65 Ca 0.03 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1ukg s ARG 65 Cb -0.01 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 1ukg s ARG 65 CO 0.04 0.51 -0.06 0.08 0.02 0.00 0.00 175.30 175.89 1ukg s VAL 66 N -1.68 0.48 0.36 3.52 1.01 -0.74 -1.12 120.40 122.23 1ukg s VAL 66 Ca 0.32 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1ukg s VAL 66 Cb -0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 1ukg s VAL 66 CO 0.25 -0.02 0.98 0.00 0.00 0.00 0.00 175.10 176.31 1ukg s ALA 67 N -0.49 3.15 -0.24 5.51 0.00 0.59 -1.65 121.76 128.63 1ukg s ALA 67 Ca -0.01 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1ukg s ALA 67 Cb -0.04 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1ukg s ALA 67 CO -0.00 0.04 0.11 1.21 0.00 0.00 0.00 175.76 177.12 1ukg s ASN 68 N -1.66 5.59 0.10 0.00 3.04 -0.03 -4.39 114.94 117.58 1ukg s ASN 68 Ca 0.54 -0.06 0.03 0.00 0.04 0.00 0.00 52.86 53.41 1ukg s ASN 68 Cb -0.19 -2.01 -0.04 0.00 -1.54 0.00 0.00 41.25 37.48 1ukg s ASN 68 CO 0.24 0.01 -0.09 0.72 -3.04 0.00 0.00 177.10 174.94 1ukg s PHE 69 N 1.36 1.00 -0.01 0.43 -0.12 -1.13 -1.43 117.98 118.08 1ukg s PHE 69 Ca 0.06 -0.76 -0.00 0.00 -0.05 0.00 0.00 56.93 56.17 1ukg s PHE 69 Cb -0.15 -0.55 0.02 0.00 -0.63 0.00 0.00 43.02 41.71 1ukg s PHE 69 CO 0.05 -0.05 0.02 -0.65 -0.05 0.00 0.00 175.22 174.54 1ukg s GLN 70 N -3.29 -0.02 -0.12 1.99 -0.21 -0.09 -1.57 119.66 116.35 1ukg s GLN 70 Ca 0.09 0.10 -0.00 0.00 0.02 0.00 0.00 55.36 55.57 1ukg s GLN 70 Cb 0.01 -0.13 0.03 0.00 1.00 0.00 0.00 33.01 33.91 1ukg s GLN 70 CO -0.02 -0.09 -0.07 0.45 -2.12 0.00 0.00 175.29 173.44 1ukg s SER 71 N 0.58 2.30 -0.10 5.90 0.15 0.29 -1.39 113.70 121.43 1ukg s SER 71 Ca -0.05 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.25 1ukg s SER 71 Cb -0.07 -0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1ukg s SER 71 CO -0.02 -0.14 -0.16 -1.58 1.20 0.00 0.00 173.24 172.55 1ukg s GLN 72 N 1.70 3.04 0.19 5.44 -0.44 -0.20 -0.69 119.66 128.71 1ukg s GLN 72 Ca 0.04 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.36 51.97 1ukg s GLN 72 Cb -0.13 -2.47 0.04 0.00 -1.64 0.00 0.00 33.01 28.81 1ukg s GLN 72 CO -0.08 0.33 0.57 -0.59 0.50 0.00 0.00 175.29 176.01 1ukg s PHE 73 N 0.03 -0.25 0.02 1.67 -0.12 -0.47 -0.55 117.98 118.31 1ukg s PHE 73 Ca -0.06 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.77 1ukg s PHE 73 Cb -0.15 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1ukg s PHE 73 CO 0.05 -0.94 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.68 1ukg s SER 74 N -2.84 0.68 0.18 1.98 1.04 -0.99 -0.39 113.70 113.35 1ukg s SER 74 Ca 0.07 -0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 1ukg s SER 74 Cb -0.02 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 1ukg s SER 74 CO -0.05 -0.08 0.34 0.72 0.98 0.00 0.00 173.24 175.15 1ukg s PHE 75 N -0.77 0.33 0.01 5.02 -0.71 -0.99 -0.83 117.98 120.04 1ukg s PHE 75 Ca -0.05 -0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 55.13 1ukg s PHE 75 Cb -0.06 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1ukg s PHE 75 CO 0.00 -0.77 0.04 -1.54 -1.34 0.00 0.00 175.22 171.61 1ukg s SER 76 N -2.96 0.13 -0.00 1.98 1.04 -0.63 -1.03 113.70 112.23 1ukg s SER 76 Ca 0.17 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1ukg s SER 76 Cb 0.02 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1ukg s SER 76 CO 0.01 -0.30 -0.23 -0.76 0.98 0.00 0.00 173.24 172.93 1ukg s LEU 77 N -1.29 2.07 -0.07 2.42 1.43 -1.26 -1.65 118.68 120.33 1ukg s LEU 77 Ca -0.14 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1ukg s LEU 77 Cb -0.08 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1ukg s LEU 77 CO 0.00 0.27 0.16 -0.75 0.23 0.00 0.00 176.35 176.26 1ukg s LYS 78 N -0.70 0.15 -0.26 1.70 2.20 -1.20 -0.28 119.74 121.35 1ukg s LYS 78 Ca 0.09 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.79 1ukg s LYS 78 Cb -0.09 -0.04 0.07 0.00 -1.51 0.00 0.00 37.83 36.26 1ukg s LYS 78 CO -0.00 -0.09 0.69 0.45 -0.36 0.00 0.00 175.35 176.04 1ukg s SER 79 N 0.65 -0.75 0.27 1.43 0.15 -1.26 -0.81 113.70 113.38 1ukg s SER 79 Ca -0.05 1.41 0.25 0.00 0.70 0.00 0.00 55.95 58.27 1ukg s SER 79 Cb -0.06 1.41 0.90 0.00 -1.71 0.00 0.00 66.02 66.56 1ukg s SER 79 CO -0.03 -0.24 1.75 1.55 1.20 0.00 0.00 173.24 177.47 1ukg h PRO 80 N 5.33 0.00 -7.26 5.44 0.13 -1.99 -3.46 132.00 130.19 1ukg h PRO 80 Ca -0.29 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 1ukg h PRO 80 Cb 1.17 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.35 1ukg h PRO 80 CO 0.08 0.00 0.39 -0.51 -0.23 0.00 0.00 178.00 177.73 1ukg s LEU 81 N -4.74 3.42 0.31 1.56 1.43 -1.26 -4.97 118.68 114.43 1ukg s LEU 81 Ca 0.07 1.57 0.25 0.00 -1.03 0.00 0.00 54.13 54.99 1ukg s LEU 81 Cb 0.10 -4.50 0.71 0.00 0.03 0.00 0.00 46.19 42.53 1ukg s LEU 81 CO 0.51 -0.88 1.73 0.77 0.23 0.00 0.00 176.35 178.70 1ukg h SER 82 N 0.24 0.00 -2.10 2.29 4.64 -1.97 -3.36 113.55 113.29 1ukg h SER 82 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 1ukg h SER 82 Cb 1.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 1ukg h SER 82 CO 0.60 0.00 -0.93 -0.46 -0.87 0.00 0.00 176.83 175.18 1ukg n ASN 83 N -2.57 1.96 -4.72 4.97 6.94 -1.26 -5.11 115.26 115.47 1ukg n ASN 83 Ca 0.04 -3.13 -0.40 0.00 -0.02 0.00 0.00 54.58 51.07 1ukg n ASN 83 Cb 0.44 -0.63 0.02 0.00 -2.36 0.00 0.00 39.78 37.25 1ukg n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ukg n GLY 84 N 0.68 0.65 3.22 4.83 0.00 -1.26 -4.62 105.19 108.69 1ukg n GLY 84 Ca 0.26 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.24 0.25 -0.04 4.61 0.00 -1.24 -4.28 121.76 119.82 1ukg s ALA 85 Ca 0.64 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.68 1ukg s ALA 85 Cb -0.47 0.67 -0.15 0.00 0.00 0.00 0.00 23.12 23.17 1ukg s ALA 85 CO 0.55 -0.53 0.18 -0.25 0.00 0.00 0.00 175.76 175.72 1ukg n ASP 86 N -0.09 2.59 0.00 0.00 8.00 0.77 -2.69 116.55 125.12 1ukg n ASP 86 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1ukg n ASP 86 Cb 0.63 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 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 2.03 3.05 3.29 0.44 0.00 -1.23 -2.67 105.19 110.11 1ukg n GLY 87 Ca -0.06 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.00 1.72 -0.03 -0.61 2.07 -0.98 -3.02 121.20 118.35 1ukg s ILE 88 Ca 0.00 -1.65 -0.05 0.00 -1.41 0.00 0.00 60.65 57.54 1ukg s ILE 88 Cb 0.00 -1.62 0.01 0.00 0.13 0.00 0.00 42.46 40.97 1ukg s ILE 88 CO 0.00 -0.15 0.12 0.00 -1.91 0.00 0.00 174.94 173.01 1ukg s ALA 89 N -1.44 -0.29 -0.12 1.50 0.00 0.97 -1.04 121.76 121.35 1ukg s ALA 89 Ca 0.09 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 1ukg s ALA 89 Cb -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1ukg s ALA 89 CO 0.05 -0.10 0.36 0.12 0.00 0.00 0.00 175.76 176.18 1ukg s PHE 90 N -0.39 3.53 0.09 0.00 5.36 -0.53 -0.73 117.98 125.30 1ukg s PHE 90 Ca -0.05 0.75 -0.03 0.00 -0.96 0.00 0.00 56.93 56.65 1ukg s PHE 90 Cb -0.03 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 1ukg s PHE 90 CO 0.00 0.32 0.05 -0.59 -1.46 0.00 0.00 175.22 173.55 1ukg s PHE 91 N 0.14 0.55 -0.07 10.12 -0.71 -0.07 -0.79 117.98 127.13 1ukg s PHE 91 Ca 0.20 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.10 1ukg s PHE 91 Cb -0.14 -0.34 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1ukg s PHE 91 CO 0.07 -0.47 -0.11 0.42 -1.34 0.00 0.00 175.22 173.80 1ukg s ILE 92 N -3.95 1.07 0.32 -4.49 1.01 0.10 -1.78 121.20 113.48 1ukg s ILE 92 Ca 0.12 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1ukg s ILE 92 Cb 0.07 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1ukg s ILE 92 CO -0.06 0.35 0.55 0.00 0.00 0.00 0.00 174.94 175.78 1ukg s ALA 93 N 0.91 0.09 0.64 9.38 0.00 -0.89 -2.16 121.76 129.73 1ukg s ALA 93 Ca -0.10 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 1ukg s ALA 93 Cb -0.15 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1ukg s ALA 93 CO 0.01 -0.86 1.25 -2.30 0.00 0.00 0.00 175.76 173.86 1ukg n PRO 94 N -0.50 1.12 -0.22 0.00 -0.02 -1.26 -1.25 135.00 132.86 1ukg n PRO 94 Ca -0.02 0.44 0.22 0.00 -2.02 0.00 0.00 63.50 62.12 1ukg n PRO 94 Cb 0.61 -2.48 0.58 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.59 0.26 -0.62 0.52 0.11 -1.86 -1.89 132.00 129.10 1ukg h PRO 95 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ukg h PRO 95 Cb 1.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ukg h PRO 95 CO 0.53 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1ukg n ASP 96 N -4.44 3.26 -4.74 -2.05 3.85 -1.26 -4.88 116.55 106.28 1ukg n ASP 96 Ca 0.19 -2.33 -0.42 0.00 -0.71 0.00 0.00 54.79 51.53 1ukg n ASP 96 Cb 0.79 -0.48 -0.01 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 0.57 1.44 -4.22 2.12 5.66 -0.71 -5.02 114.28 114.11 1ukg n THR 97 Ca 0.16 -0.36 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 1ukg n THR 97 Cb 0.64 -1.86 -0.10 0.00 -1.55 0.00 0.00 70.33 67.45 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 -0.49 0.46 -0.02 1.09 -4.23 -1.26 -5.09 115.64 106.09 1ukg s THR 98 Ca 0.60 -1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1ukg s THR 98 Cb -0.52 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 1ukg s THR 98 CO 0.55 -0.37 1.73 -0.63 -0.54 0.00 0.00 174.62 175.36 1ukg s ILE 99 N -3.81 3.40 0.44 2.99 1.01 -1.26 -4.95 121.20 119.02 1ukg s ILE 99 Ca 0.27 0.51 -0.24 0.00 0.00 0.00 0.00 60.65 61.19 1ukg s ILE 99 Cb 0.07 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.13 1ukg s ILE 99 CO 0.05 -0.04 1.28 -2.84 0.00 0.00 0.00 174.94 173.39 1ukg s PRO 100 N 4.03 3.77 0.16 2.79 0.02 -1.26 -4.94 135.00 139.57 1ukg s PRO 100 Ca 0.77 2.07 -0.31 0.00 0.02 0.00 0.00 61.00 63.55 1ukg s PRO 100 Cb -0.36 -2.58 -0.10 0.00 0.02 0.00 0.00 34.50 31.47 1ukg s PRO 100 CO 0.33 -0.63 1.69 0.45 -0.33 0.00 0.00 177.00 178.51 1ukg s SER 101 N -0.94 6.48 -0.84 2.53 0.15 -1.26 -2.11 113.70 117.72 1ukg s SER 101 Ca 0.61 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.97 1ukg s SER 101 Cb -0.36 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 1ukg s SER 101 CO 0.45 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1ukg n GLY 102 N 3.97 0.54 0.88 9.45 0.00 -1.26 -4.48 105.19 114.30 1ukg n GLY 102 Ca 0.16 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 2.48 -3.38 1.61 3.41 -0.90 -4.31 113.62 113.00 1ukg n SER 103 Ca -0.10 -2.21 -0.25 0.00 -0.26 0.00 0.00 58.87 56.05 1ukg n SER 103 Cb 0.43 -0.41 0.21 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.65 -2.69 7.00 5.00 0.00 -1.26 -0.00 105.19 113.89 1ukg n GLY 104 Ca 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.55 3.35 0.06 -0.02 0.00 -1.26 -2.14 105.19 101.63 1ukg n GLY 105 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.75 0.30 -0.02 0.00 -1.26 -1.46 105.19 101.99 1ukg n GLY 106 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.79 0.95 -1.69 0.99 4.77 -0.91 -4.94 117.00 114.38 1ukg n LEU 107 Ca 0.00 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1ukg n LEU 107 Cb 0.06 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1ukg n LEU 107 CO 0.07 0.16 -0.14 0.18 -1.33 0.00 0.00 177.39 176.33 1ukg n LEU 108 N -0.32 -1.05 -0.24 2.23 4.77 -0.54 -1.36 117.00 120.50 1ukg n LEU 108 Ca 0.20 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.43 1ukg n LEU 108 Cb 0.28 -2.08 -0.01 0.00 -2.33 0.00 0.00 43.42 39.28 1ukg n LEU 108 CO 0.18 -0.53 -0.03 0.61 -1.33 0.00 0.00 177.39 176.29 1ukg n GLY 109 N -0.42 0.56 0.06 -0.72 0.00 1.00 -3.97 105.19 101.70 1ukg n GLY 109 Ca -0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.35 0.14 -4.28 0.99 4.77 -0.47 -4.45 117.00 113.34 1ukg n LEU 110 Ca -0.03 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 1ukg n LEU 110 Cb 0.24 0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1ukg n LEU 110 CO 0.05 0.31 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.61 1ukg s PHE 111 N -2.29 1.53 0.10 -1.77 0.40 -1.17 -4.85 117.98 109.93 1ukg s PHE 111 Ca -0.07 -0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 55.56 1ukg s PHE 111 Cb 0.04 -0.77 -0.06 0.00 0.51 0.00 0.00 43.02 42.74 1ukg s PHE 111 CO 0.48 0.22 0.49 0.00 0.70 0.00 0.00 175.22 177.10 1ukg s ALA 112 N -2.45 3.64 0.21 5.36 0.00 -1.26 -4.02 121.76 123.23 1ukg s ALA 112 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1ukg s ALA 112 Cb -0.03 -2.44 0.29 0.00 0.00 0.00 0.00 23.12 20.93 1ukg s ALA 112 CO 0.04 0.48 1.68 -1.35 0.00 0.00 0.00 175.76 176.62 1ukg h PRO 113 N 3.87 0.17 0.00 0.00 0.11 -1.78 0.87 132.00 135.23 1ukg h PRO 113 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1ukg h PRO 113 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ukg h PRO 113 CO 0.65 0.11 -0.08 0.78 -0.21 0.00 0.00 178.00 179.25 1ukg h GLY 114 N 0.18 0.00 -0.06 -0.55 0.00 -1.94 -3.19 103.07 97.50 1ukg h GLY 114 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ukg h GLY 114 CO -0.46 0.00 -0.03 -1.30 0.00 0.00 0.00 176.54 174.75 1ukg n THR 115 N -3.77 0.82 -0.04 4.70 -2.24 -0.97 -4.82 114.28 107.96 1ukg n THR 115 Ca -0.02 -0.87 0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1ukg n THR 115 Cb 0.18 0.52 0.71 0.00 -2.10 0.00 0.00 70.33 69.64 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 2.46 -0.04 6.98 0.00 -0.83 -0.64 119.26 127.19 1ukg h ALA 116 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ukg h ALA 116 Cb 0.74 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ukg h ALA 116 CO 0.00 -0.94 0.00 1.04 0.00 0.00 0.00 179.25 179.35 1ukg n GLN 117 N -3.83 1.89 -3.43 0.00 6.02 -1.26 -1.05 117.38 115.73 1ukg n GLN 117 Ca 0.13 -2.37 -0.44 0.00 -0.01 0.00 0.00 57.00 54.31 1ukg n GLN 117 Cb 0.85 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 30.61 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 -2.31 5.98 0.63 1.08 3.84 -0.25 -4.94 114.94 118.97 1ukg s ASN 118 Ca 0.26 -1.89 0.39 0.00 0.21 0.00 0.00 52.86 51.83 1ukg s ASN 118 Cb 0.22 -2.12 2.16 0.00 -0.55 0.00 0.00 41.25 40.96 1ukg s ASN 118 CO 0.04 -0.77 2.31 0.71 -2.79 0.00 0.00 177.10 176.60 1ukg h THR 119 N 5.96 0.20 -0.00 -5.21 1.35 -1.84 -1.12 112.91 112.25 1ukg h THR 119 Ca -0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1ukg h THR 119 Cb 1.08 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ukg h THR 119 CO 0.95 0.01 -0.16 -1.20 -0.25 0.00 0.00 175.52 174.86 1ukg n SER 120 N -3.36 0.22 -0.89 5.36 7.64 -1.26 -3.66 113.62 117.67 1ukg n SER 120 Ca -0.03 0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.00 1ukg n SER 120 Cb 0.09 -0.20 0.16 0.00 -1.01 0.00 0.00 64.21 63.25 1ukg n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ukg n ALA 121 N -1.39 2.38 -2.27 -0.43 0.00 -0.42 -5.00 120.51 113.39 1ukg n ALA 121 Ca 0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 1ukg n ALA 121 Cb 0.32 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.27 1.72 -0.39 0.00 0.01 -1.23 -5.08 114.94 108.70 1ukg s ASN 122 Ca 0.30 -0.99 0.02 0.00 -0.71 0.00 0.00 52.86 51.47 1ukg s ASN 122 Cb 0.18 -0.00 0.15 0.00 0.41 0.00 0.00 41.25 41.99 1ukg s ASN 122 CO 0.24 -0.33 0.27 -1.10 -1.51 0.00 0.00 177.10 174.67 1ukg s GLN 123 N -3.66 0.79 -0.24 -0.60 -0.21 -1.26 -4.82 119.66 109.66 1ukg s GLN 123 Ca 0.15 -1.73 -0.26 0.00 0.02 0.00 0.00 55.36 53.54 1ukg s GLN 123 Cb 0.02 -1.48 0.08 0.00 1.00 0.00 0.00 33.01 32.63 1ukg s GLN 123 CO 0.00 -1.28 0.77 0.54 -2.12 0.00 0.00 175.29 173.20 1ukg s VAL 124 N 0.57 0.00 -0.11 1.09 0.11 -1.26 -4.26 120.40 116.53 1ukg s VAL 124 Ca 0.24 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1ukg s VAL 124 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1ukg s VAL 124 CO -0.07 0.00 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.89 1ukg s ILE 125 N 0.14 1.63 0.02 7.04 1.01 -0.92 -0.85 121.20 129.29 1ukg s ILE 125 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ukg s ILE 125 Cb -0.04 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1ukg s ILE 125 CO 0.01 0.47 0.05 0.00 0.00 0.00 0.00 174.94 175.47 1ukg s ALA 126 N 0.85 -0.01 -0.26 9.38 0.00 0.00 -0.72 121.76 131.00 1ukg s ALA 126 Ca -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1ukg s ALA 126 Cb -0.15 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1ukg s ALA 126 CO 0.00 -0.24 -0.05 0.08 0.00 0.00 0.00 175.76 175.56 1ukg s VAL 127 N -2.00 2.88 0.06 0.00 1.01 0.03 -0.04 120.40 122.33 1ukg s VAL 127 Ca -0.10 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1ukg s VAL 127 Cb -0.05 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ukg s VAL 127 CO -0.02 0.10 0.10 -1.83 0.00 0.00 0.00 175.10 173.45 1ukg s GLU 128 N 1.29 3.02 -0.41 2.72 -1.05 0.27 -1.46 118.70 123.09 1ukg s GLU 128 Ca -0.02 -0.61 0.03 0.00 -0.15 0.00 0.00 54.97 54.23 1ukg s GLU 128 Cb -0.18 -2.81 0.11 0.00 -0.44 0.00 0.00 34.13 30.82 1ukg s GLU 128 CO -0.03 0.59 0.14 -0.06 0.95 0.00 0.00 175.26 176.85 1ukg s PHE 129 N -1.37 3.15 -0.34 4.83 0.40 -0.21 -0.88 117.98 123.56 1ukg s PHE 129 Ca 0.29 -2.86 -0.13 0.00 -0.60 0.00 0.00 56.93 53.64 1ukg s PHE 129 Cb -0.12 -2.64 -0.02 0.00 0.51 0.00 0.00 43.02 40.75 1ukg s PHE 129 CO 0.22 -0.86 0.24 0.34 0.70 0.00 0.00 175.22 175.86 1ukg s ASP 130 N 0.53 6.04 0.00 1.36 -1.08 -0.46 -2.32 116.67 120.74 1ukg s ASP 130 Ca 0.14 -0.42 0.20 0.00 -0.52 0.00 0.00 52.55 51.94 1ukg s ASP 130 Cb -0.22 -2.13 -0.09 0.00 -1.46 0.00 0.00 42.92 39.02 1ukg s ASP 130 CO -0.06 -0.23 0.94 0.35 0.52 0.00 0.00 175.17 176.68 1ukg n THR 131 N 5.10 0.00 -4.39 1.71 -2.24 -1.09 -1.89 114.28 111.47 1ukg n THR 131 Ca -0.13 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1ukg n THR 131 Cb 0.50 1.14 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.50 2.73 -0.04 4.78 5.36 -1.25 -4.80 117.98 122.25 1ukg s PHE 132 Ca 0.13 -1.50 0.12 0.00 -0.96 0.00 0.00 56.93 54.73 1ukg s PHE 132 Cb 0.16 -1.87 0.23 0.00 -0.34 0.00 0.00 43.02 41.20 1ukg s PHE 132 CO 0.63 -0.71 1.10 2.48 -1.46 0.00 0.00 175.22 177.26 1ukg n TYR 133 N 4.35 0.00 -1.64 10.12 4.11 -1.26 -4.95 117.16 127.88 1ukg n TYR 133 Ca -0.20 -0.48 -0.54 0.00 -0.00 0.00 0.00 57.90 56.67 1ukg n TYR 133 Cb 0.51 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 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 -0.19 0.36 0.09 -3.48 0.00 -1.26 -4.77 120.51 111.25 1ukg n ALA 134 Ca 0.07 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.78 1ukg n ALA 134 Cb 0.83 -2.36 0.05 0.00 0.00 0.00 0.00 19.45 17.97 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 6.34 0.00 0.01 0.00 1.13 -1.26 -0.61 117.38 122.98 1ukg n GLN 135 Ca 0.29 0.44 -0.06 0.00 -1.94 0.00 0.00 57.00 55.73 1ukg n GLN 135 Cb 0.19 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.92 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 0.00 0.00 1.08 2.03 -1.97 -3.37 116.42 114.19 1ukg h ASP 136 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 1ukg h ASP 136 Cb 0.04 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.51 1ukg h ASP 136 CO 0.00 0.87 -1.69 -1.54 -1.03 0.00 0.00 179.24 175.84 1ukg n SER 137 N -3.03 1.56 -3.87 4.15 3.41 -0.92 -4.71 113.62 110.20 1ukg n SER 137 Ca -0.13 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 1ukg n SER 137 Cb 0.97 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 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 -3.34 6.31 0.32 4.04 5.03 0.22 -4.80 115.26 123.03 1ukg n ASN 138 Ca -0.24 -3.34 0.19 0.00 0.87 0.00 0.00 54.58 52.06 1ukg n ASN 138 Cb 0.69 -1.32 1.05 0.00 -1.02 0.00 0.00 39.78 39.18 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 3.28 0.21 0.00 3.41 1.35 -1.74 -2.31 112.91 117.11 1ukg h THR 139 Ca 0.34 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1ukg h THR 139 Cb 0.55 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1ukg h THR 139 CO 1.41 0.01 -0.11 4.11 -0.25 0.00 0.00 175.52 180.69 1ukg h TRP 140 N 0.00 0.00 -3.86 4.73 0.09 -1.92 -3.47 115.95 111.52 1ukg h TRP 140 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.50 1ukg h TRP 140 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.30 1ukg h TRP 140 CO 0.00 0.00 0.19 -0.51 0.09 0.00 0.00 178.44 178.21 1ukg s ASP 141 N -4.71 6.69 0.78 0.11 1.01 -0.87 -4.79 116.67 114.90 1ukg s ASP 141 Ca 0.09 1.35 -0.11 0.00 0.71 0.00 0.00 52.55 54.59 1ukg s ASP 141 Cb 0.12 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.70 1ukg s ASP 141 CO 0.63 -0.36 1.08 -2.16 0.21 0.00 0.00 175.17 174.57 1ukg s PRO 142 N -3.50 2.21 -1.40 8.23 0.04 -1.26 -4.90 135.00 134.41 1ukg s PRO 142 Ca 0.55 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1ukg s PRO 142 Cb -0.10 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1ukg s PRO 142 CO 0.24 -1.58 2.43 -1.71 0.04 0.00 0.00 177.00 176.41 1ukg n ASN 143 N -3.44 7.39 0.00 6.66 5.15 -1.26 -4.83 115.26 124.93 1ukg n ASN 143 Ca 0.07 -2.97 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 1ukg n ASN 143 Cb 0.55 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 1ukg n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ukg n TYR 144 N 2.90 0.00 -1.85 1.20 0.18 -1.26 -5.11 117.16 113.22 1ukg n TYR 144 Ca 0.62 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 60.01 1ukg n TYR 144 Cb 0.27 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.26 1ukg n TYR 144 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1ukg s PRO 145 N -2.00 3.45 0.18 -3.48 0.04 -1.26 -4.85 135.00 127.07 1ukg s PRO 145 Ca 0.00 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 1ukg s PRO 145 Cb 0.00 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 32.13 1ukg s PRO 145 CO 0.00 -0.95 0.55 -3.38 0.04 0.00 0.00 177.00 173.25 1ukg s HIS 146 N -1.28 -0.29 -0.16 0.56 -3.43 -0.79 -1.78 115.29 108.11 1ukg s HIS 146 Ca 0.66 -0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 54.85 1ukg s HIS 146 Cb -0.40 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.16 1ukg s HIS 146 CO 0.50 -0.88 0.06 0.42 -2.00 0.00 0.00 174.74 172.83 1ukg s ILE 147 N -3.82 4.75 0.07 -5.38 1.01 -0.77 -1.36 121.20 115.69 1ukg s ILE 147 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1ukg s ILE 147 Cb -0.01 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1ukg s ILE 147 CO -0.07 0.51 -0.09 -0.83 0.00 0.00 0.00 174.94 174.45 1ukg s GLY 148 N -0.02 0.67 -0.23 6.18 0.00 -0.06 -1.84 107.32 112.01 1ukg s GLY 148 Ca 0.06 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1ukg s GLY 148 CO 0.01 -1.03 0.05 -0.42 0.00 0.00 0.00 173.10 171.72 1ukg s ILE 149 N -1.88 4.23 -0.19 0.90 1.01 -0.46 -0.56 121.20 124.25 1ukg s ILE 149 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1ukg s ILE 149 Cb -0.07 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1ukg s ILE 149 CO -0.00 0.37 -0.04 -1.81 0.00 0.00 0.00 174.94 173.46 1ukg s ASP 150 N 1.42 4.55 -0.32 3.58 -0.00 0.94 -1.17 116.67 125.67 1ukg s ASP 150 Ca 0.05 -0.26 0.02 0.00 -0.00 0.00 0.00 52.55 52.36 1ukg s ASP 150 Cb -0.15 -1.76 0.10 0.00 -0.00 0.00 0.00 42.92 41.11 1ukg s ASP 150 CO 0.03 0.08 0.06 -0.69 -0.00 0.00 0.00 175.17 174.65 1ukg s VAL 151 N 0.92 1.63 -1.50 -1.27 1.01 -1.26 -0.82 120.40 119.11 1ukg s VAL 151 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1ukg s VAL 151 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1ukg s VAL 151 CO 0.01 -0.60 0.00 0.59 0.00 0.00 0.00 175.10 175.10 1ukg n ASN 152 N 4.53 -5.57 -3.60 3.32 3.02 -0.03 -4.92 115.26 112.02 1ukg n ASN 152 Ca 0.00 0.35 -0.16 0.00 -0.03 0.00 0.00 54.58 54.75 1ukg n ASN 152 Cb 0.42 -4.31 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 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 -2.55 -0.64 0.24 6.41 0.15 -1.26 -3.68 113.70 112.38 1ukg s SER 153 Ca 0.00 0.97 0.24 0.00 0.70 0.00 0.00 55.95 57.86 1ukg s SER 153 Cb 0.00 0.92 0.94 0.00 -1.71 0.00 0.00 66.02 66.16 1ukg s SER 153 CO 0.00 -0.41 1.73 0.00 1.20 0.00 0.00 173.24 175.76 1ukg n ILE 154 N 1.81 0.76 -2.83 6.45 0.13 -0.22 -4.27 119.36 121.19 1ukg n ILE 154 Ca -0.17 0.08 -0.43 0.00 -1.10 0.00 0.00 62.75 61.13 1ukg n ILE 154 Cb 0.56 -0.99 -0.03 0.00 -0.84 0.00 0.00 39.64 38.34 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 -3.26 3.37 0.22 9.51 3.52 -1.26 -4.93 118.95 126.12 1ukg s ARG 155 Ca 0.06 -1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 54.15 1ukg s ARG 155 Cb 0.10 -4.65 -0.15 0.00 -1.56 0.00 0.00 34.95 28.69 1ukg s ARG 155 CO 0.45 -1.87 0.94 0.43 -0.81 0.00 0.00 175.30 174.44 1ukg n SER 156 N 7.49 0.63 0.13 -2.12 7.64 -1.26 -4.82 113.62 121.31 1ukg n SER 156 Ca 0.12 1.16 0.13 0.00 1.01 0.00 0.00 58.87 61.29 1ukg n SER 156 Cb 0.48 -1.17 0.45 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.99 0.00 -1.74 0.44 -1.51 -1.48 -3.44 116.25 110.50 1ukg h VAL 157 Ca -0.38 -0.38 0.03 0.00 -1.23 0.00 0.00 66.70 64.74 1ukg h VAL 157 Cb 1.37 1.25 -0.24 0.00 -2.13 0.00 0.00 31.29 31.53 1ukg h VAL 157 CO 0.63 0.00 0.33 -0.75 -1.23 0.00 0.00 177.57 176.55 1ukg s LYS 158 N -3.24 0.62 0.05 5.19 2.20 -1.24 -5.02 119.74 118.30 1ukg s LYS 158 Ca 0.07 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1ukg s LYS 158 Cb 0.10 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1ukg s LYS 158 CO 0.50 -0.08 -0.03 0.95 -0.36 0.00 0.00 175.35 176.33 1ukg s THR 159 N 0.36 0.24 0.03 3.43 -4.23 -1.26 -1.35 115.64 112.85 1ukg s THR 159 Ca 0.01 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1ukg s THR 159 Cb -0.05 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1ukg s THR 159 CO -0.04 -0.85 -0.05 0.68 -0.54 0.00 0.00 174.62 173.81 1ukg s VAL 160 N -3.22 0.34 0.40 2.29 -7.23 -0.76 -4.99 120.40 107.23 1ukg s VAL 160 Ca 0.01 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 59.04 1ukg s VAL 160 Cb 0.03 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 1ukg s VAL 160 CO -0.07 -0.36 1.35 -0.75 -0.31 0.00 0.00 175.10 174.96 1ukg s LYS 161 N -1.31 3.97 0.03 4.82 2.20 -1.26 -1.85 119.74 126.34 1ukg s LYS 161 Ca -0.11 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1ukg s LYS 161 Cb -0.09 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1ukg s LYS 161 CO -0.00 -0.53 -0.04 -0.46 -0.36 0.00 0.00 175.35 173.96 1ukg s TRP 162 N -1.22 0.40 -0.17 4.03 -0.00 -0.73 -4.76 118.94 116.49 1ukg s TRP 162 Ca 0.56 -0.65 -0.04 0.00 -0.00 0.00 0.00 56.10 55.97 1ukg s TRP 162 Cb -0.40 -0.28 -0.02 0.00 -0.00 0.00 0.00 33.47 32.77 1ukg s TRP 162 CO 0.53 -0.21 -0.03 -0.51 -0.00 0.00 0.00 176.95 176.72 1ukg s ASP 163 N -1.85 4.70 -0.06 5.86 1.11 -1.26 -4.43 116.67 120.73 1ukg s ASP 163 Ca -0.09 -0.19 -0.24 0.00 0.18 0.00 0.00 52.55 52.21 1ukg s ASP 163 Cb -0.06 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.12 1ukg s ASP 163 CO -0.03 0.12 0.72 -0.60 1.18 0.00 0.00 175.17 176.55 1ukg s ARG 164 N 0.67 4.44 -0.23 8.23 3.52 -1.26 -5.04 118.95 129.29 1ukg s ARG 164 Ca -0.02 0.91 0.01 0.00 -0.13 0.00 0.00 55.73 56.50 1ukg s ARG 164 Cb -0.14 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1ukg s ARG 164 CO 0.02 0.05 -0.06 1.03 -0.81 0.00 0.00 175.30 175.53 1ukg s ARG 165 N 0.82 1.70 0.12 5.12 0.52 -1.26 -5.10 118.95 120.88 1ukg s ARG 165 Ca 0.38 -0.96 -0.32 0.00 -0.52 0.00 0.00 55.73 54.31 1ukg s ARG 165 Cb -0.18 -2.55 -0.12 0.00 0.52 0.00 0.00 34.95 32.62 1ukg s ARG 165 CO 0.19 -0.56 1.77 -3.47 0.02 0.00 0.00 175.30 173.25 1ukg n ASP 166 N 4.67 3.78 0.00 0.23 2.03 -1.26 -2.40 116.55 123.60 1ukg n ASP 166 Ca -0.12 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1ukg n ASP 166 Cb 0.44 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 4.05 0.50 3.70 0.27 0.00 0.61 -5.01 105.19 109.32 1ukg n GLY 167 Ca 0.18 0.00 -0.35 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 -0.53 3.62 0.21 1.61 -0.21 -1.01 -4.93 119.66 118.42 1ukg s GLN 168 Ca 0.00 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 54.77 1ukg s GLN 168 Cb 0.00 -3.11 -0.08 0.00 1.00 0.00 0.00 33.01 30.82 1ukg s GLN 168 CO 0.00 0.50 1.10 -1.12 -2.12 0.00 0.00 175.29 173.65 1ukg s SER 169 N -0.26 7.26 -0.16 5.90 0.01 -1.26 -4.51 113.70 120.68 1ukg s SER 169 Ca 0.08 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.46 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 0.01 -0.20 -0.05 -0.22 0.41 0.00 0.00 173.24 173.20 1ukg s LEU 170 N -0.68 3.11 -0.20 2.44 2.96 -0.20 -4.32 118.68 121.79 1ukg s LEU 170 Ca 0.48 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 54.08 1ukg s LEU 170 Cb -0.30 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1ukg s LEU 170 CO 0.37 0.13 0.15 0.20 -1.32 0.00 0.00 176.35 175.88 1ukg s ASN 171 N 0.58 6.23 0.01 3.68 0.01 -0.31 -2.34 114.94 122.81 1ukg s ASN 171 Ca -0.04 0.26 0.06 0.00 -0.71 0.00 0.00 52.86 52.43 1ukg s ASN 171 Cb -0.15 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 1ukg s ASN 171 CO 0.03 0.16 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.91 1ukg s VAL 172 N 0.43 1.39 -0.13 1.60 1.01 0.47 -0.64 120.40 124.54 1ukg s VAL 172 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1ukg s VAL 172 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1ukg s VAL 172 CO -0.01 0.28 -0.11 -0.22 0.00 0.00 0.00 175.10 175.04 1ukg s LEU 173 N -0.70 1.43 -0.16 3.92 2.96 0.20 -1.37 118.68 124.96 1ukg s LEU 173 Ca 0.06 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ukg s LEU 173 Cb -0.07 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1ukg s LEU 173 CO 0.00 -0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.13 1ukg s VAL 174 N 1.57 2.94 0.08 1.68 1.01 0.14 -1.49 120.40 126.32 1ukg s VAL 174 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ukg s VAL 174 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1ukg s VAL 174 CO -0.09 0.50 -0.11 0.42 0.00 0.00 0.00 175.10 175.82 1ukg s THR 175 N 0.77 0.94 -0.07 3.92 -4.23 -0.28 -0.55 115.64 116.14 1ukg s THR 175 Ca -0.05 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1ukg s THR 175 Cb -0.15 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.61 1ukg s THR 175 CO 0.01 -0.39 -0.06 0.12 -0.54 0.00 0.00 174.62 173.77 1ukg s PHE 176 N -1.76 1.02 -0.31 3.99 5.36 -0.61 -0.57 117.98 125.12 1ukg s PHE 176 Ca -0.00 -0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 55.55 1ukg s PHE 176 Cb -0.07 -0.89 0.03 0.00 -0.34 0.00 0.00 43.02 41.75 1ukg s PHE 176 CO 0.01 -0.30 0.05 1.21 -1.46 0.00 0.00 175.22 174.72 1ukg s ASN 177 N 1.24 5.01 0.59 6.13 3.84 -0.80 -2.83 114.94 128.11 1ukg s ASN 177 Ca -0.05 -1.06 0.35 0.00 0.21 0.00 0.00 52.86 52.31 1ukg s ASN 177 Cb -0.14 -1.80 1.85 0.00 -0.55 0.00 0.00 41.25 40.61 1ukg s ASN 177 CO -0.02 -0.25 2.20 1.55 -2.79 0.00 0.00 177.10 177.78 1ukg h PRO 178 N 8.13 0.00 -0.29 0.43 0.13 -1.89 0.62 132.00 139.14 1ukg h PRO 178 Ca -0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.75 1ukg h PRO 178 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ukg h PRO 178 CO 0.58 0.04 -0.32 0.77 -0.23 0.00 0.00 178.00 178.84 1ukg h SER 179 N 0.00 0.78 0.00 1.44 0.02 -1.94 -3.27 113.55 110.59 1ukg h SER 179 Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ukg h SER 179 Cb 0.19 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ukg h SER 179 CO 0.01 1.11 -1.36 0.35 -1.14 0.00 0.00 176.83 175.80 1ukg n THR 180 N -4.23 0.00 -1.82 -2.27 -2.24 -1.12 -4.97 114.28 97.63 1ukg n THR 180 Ca -0.04 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1ukg n THR 180 Cb 0.49 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.78 -1.20 -3.20 -0.78 1.74 0.22 -4.87 116.66 106.79 1ukg n ARG 181 Ca 0.01 0.95 -0.39 0.00 -0.77 0.00 0.00 57.85 57.65 1ukg n ARG 181 Cb 0.40 -5.23 -0.05 0.00 -1.02 0.00 0.00 32.46 26.56 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 -2.60 6.80 -0.34 0.55 -0.87 -1.13 -1.05 114.94 116.31 1ukg s ASN 182 Ca 0.00 0.96 -0.10 0.00 -1.57 0.00 0.00 52.86 52.15 1ukg s ASN 182 Cb 0.00 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1ukg s ASN 182 CO 0.00 -0.06 0.18 -0.22 -2.57 0.00 0.00 177.10 174.43 1ukg s LEU 183 N 0.76 4.44 -0.03 0.60 2.96 0.27 -1.90 118.68 125.77 1ukg s LEU 183 Ca 0.31 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1ukg s LEU 183 Cb -0.16 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1ukg s LEU 183 CO 0.13 -0.30 -0.03 -1.81 -1.32 0.00 0.00 176.35 173.03 1ukg s ASP 184 N 1.58 4.96 -0.07 3.68 1.01 0.27 -1.57 116.67 126.52 1ukg s ASP 184 Ca 0.03 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1ukg s ASP 184 Cb -0.18 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.48 1ukg s ASP 184 CO 0.06 0.32 -0.13 -0.69 0.21 0.00 0.00 175.17 174.94 1ukg s VAL 185 N -0.98 1.21 -0.08 -1.27 1.01 0.01 -1.13 120.40 119.17 1ukg s VAL 185 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ukg s VAL 185 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ukg s VAL 185 CO 0.06 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.79 1ukg s VAL 186 N 0.69 0.76 -0.01 2.92 1.01 -0.56 -1.95 120.40 123.26 1ukg s VAL 186 Ca -0.14 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1ukg s VAL 186 Cb -0.16 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1ukg s VAL 186 CO 0.03 0.30 -0.16 0.00 0.00 0.00 0.00 175.10 175.28 1ukg s ALA 187 N 1.42 1.32 0.02 5.51 0.00 -0.24 -0.63 121.76 129.15 1ukg s ALA 187 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1ukg s ALA 187 Cb -0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1ukg s ALA 187 CO -0.04 0.32 -0.02 0.95 0.00 0.00 0.00 175.76 176.98 1ukg s THR 188 N -0.37 0.09 0.33 0.00 -4.23 0.19 -0.74 115.64 110.91 1ukg s THR 188 Ca 0.06 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1ukg s THR 188 Cb -0.06 -0.22 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1ukg s THR 188 CO -0.01 -0.41 0.47 -0.31 -0.54 0.00 0.00 174.62 173.83 1ukg s TYR 189 N -1.20 3.20 -0.28 3.99 1.51 -0.47 -1.16 117.35 122.95 1ukg s TYR 189 Ca -0.13 -0.11 0.21 0.00 -1.01 0.00 0.00 57.07 56.03 1ukg s TYR 189 Cb -0.08 -1.95 1.10 0.00 -0.11 0.00 0.00 41.96 40.92 1ukg s TYR 189 CO -0.01 0.04 1.64 -1.13 -1.11 0.00 0.00 175.55 174.98 1ukg n SER 190 N -1.65 0.55 -0.79 2.29 3.41 -1.26 -1.43 113.62 114.75 1ukg n SER 190 Ca -0.02 0.74 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1ukg n SER 190 Cb 0.58 -0.82 0.30 0.00 -0.26 0.00 0.00 64.21 64.01 1ukg n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ukg n ASP 191 N -2.22 2.35 0.00 4.04 5.75 -1.26 -4.92 116.55 120.29 1ukg n ASP 191 Ca -0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1ukg n ASP 191 Cb 0.06 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1ukg n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ukg n GLY 192 N 1.26 0.50 3.70 6.12 0.00 -0.51 -5.03 105.19 111.22 1ukg n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.19 2.49 0.06 2.61 2.01 -1.25 -4.80 115.64 114.57 1ukg s THR 193 Ca 0.00 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1ukg s THR 193 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1ukg s THR 193 CO 0.00 0.00 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.09 1ukg s ARG 194 N 2.49 1.56 -0.02 4.92 3.52 -1.26 -1.36 118.95 128.79 1ukg s ARG 194 Ca 0.80 -1.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1ukg s ARG 194 Cb -0.46 -1.77 -0.00 0.00 -1.56 0.00 0.00 34.95 31.16 1ukg s ARG 194 CO 0.35 0.45 -0.10 0.71 -0.81 0.00 0.00 175.30 175.90 1ukg s TYR 195 N -0.86 0.98 0.00 5.12 1.51 0.08 -5.00 117.35 119.19 1ukg s TYR 195 Ca 0.10 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1ukg s TYR 195 Cb -0.10 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1ukg s TYR 195 CO 0.03 -0.07 -0.01 -1.21 -1.11 0.00 0.00 175.55 173.18 1ukg s GLU 196 N -0.01 0.12 -0.18 -0.62 2.02 -1.26 -1.08 118.70 117.70 1ukg s GLU 196 Ca 0.00 -0.14 -0.19 0.00 0.02 0.00 0.00 54.97 54.67 1ukg s GLU 196 Cb -0.07 -0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.16 1ukg s GLU 196 CO 0.00 0.01 0.52 0.54 0.02 0.00 0.00 175.26 176.35 1ukg s VAL 197 N -0.26 0.00 0.04 2.63 0.11 -0.82 -4.98 120.40 117.12 1ukg s VAL 197 Ca -0.02 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1ukg s VAL 197 Cb -0.02 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1ukg s VAL 197 CO -0.00 -0.02 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.15 1ukg s SER 198 N 0.08 0.66 -0.14 3.54 0.15 -1.26 -0.81 113.70 115.92 1ukg s SER 198 Ca -0.02 -0.65 -0.14 0.00 0.70 0.00 0.00 55.95 55.84 1ukg s SER 198 Cb -0.04 0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1ukg s SER 198 CO 0.02 -0.32 0.40 -0.47 1.20 0.00 0.00 173.24 174.07 1ukg s TYR 199 N -2.03 -0.43 -0.23 3.44 6.14 -0.61 -4.98 117.35 118.65 1ukg s TYR 199 Ca -0.07 1.04 -0.17 0.00 0.64 0.00 0.00 57.07 58.51 1ukg s TYR 199 Cb -0.06 0.15 -0.03 0.00 0.42 0.00 0.00 41.96 42.44 1ukg s TYR 199 CO -0.02 -0.23 0.46 -2.00 0.64 0.00 0.00 175.55 174.40 1ukg s GLU 200 N 0.11 4.13 -0.13 4.97 2.12 -1.26 -0.57 118.70 128.07 1ukg s GLU 200 Ca -0.01 0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.49 1ukg s GLU 200 Cb -0.03 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.81 1ukg s GLU 200 CO 0.01 -0.18 0.32 0.54 -0.54 0.00 0.00 175.26 175.41 1ukg s VAL 201 N 1.77 -0.01 -0.56 3.70 0.11 -0.21 -5.00 120.40 120.19 1ukg s VAL 201 Ca 0.20 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.09 1ukg s VAL 201 Cb -0.15 -0.46 0.06 0.00 -1.53 0.00 0.00 36.38 34.29 1ukg s VAL 201 CO 0.09 0.02 0.79 -0.62 -3.33 0.00 0.00 175.10 172.05 1ukg s ASP 202 N 0.62 6.24 0.60 3.54 -1.08 -1.26 -4.73 116.67 120.59 1ukg s ASP 202 Ca -0.04 -0.84 0.33 0.00 -0.52 0.00 0.00 52.55 51.48 1ukg s ASP 202 Cb -0.05 -2.36 1.90 0.00 -1.46 0.00 0.00 42.92 40.95 1ukg s ASP 202 CO -0.04 -1.12 2.25 -0.37 0.52 0.00 0.00 175.17 176.42 1ukg h VAL 203 N 5.94 0.42 0.00 1.11 -1.51 -1.97 -2.36 116.25 117.88 1ukg h VAL 203 Ca -0.28 -0.08 -0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1ukg h VAL 203 Cb 1.08 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1ukg h VAL 203 CO 1.06 0.02 -0.12 0.03 -1.23 0.00 0.00 177.57 177.33 1ukg h ARG 204 N 0.00 0.00 -0.05 5.19 3.08 -1.91 -0.57 114.38 120.13 1ukg h ARG 204 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ukg h ARG 204 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ukg h ARG 204 CO 0.00 0.12 0.00 -1.13 -1.07 0.00 0.00 179.97 177.89 1ukg n SER 205 N -3.78 2.19 -0.02 7.04 3.41 -0.89 -4.39 113.62 117.18 1ukg n SER 205 Ca -0.02 -1.73 -0.03 0.00 -0.26 0.00 0.00 58.87 56.83 1ukg n SER 205 Cb 0.22 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.71 0.23 -4.38 -3.33 0.31 -0.78 -5.09 118.33 106.00 1ukg n VAL 206 Ca 0.17 -0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 1ukg n VAL 206 Cb 0.46 -0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 32.58 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 -5.05 2.46 0.98 7.52 1.43 -0.29 -4.57 118.68 121.16 1ukg s LEU 207 Ca -0.05 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1ukg s LEU 207 Cb 0.01 -0.99 0.18 0.00 0.03 0.00 0.00 46.19 45.42 1ukg s LEU 207 CO 0.10 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 1ukg s PRO 208 N -2.86 0.61 0.30 1.29 0.04 -1.26 -4.64 135.00 128.47 1ukg s PRO 208 Ca 0.20 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.74 1ukg s PRO 208 Cb -0.06 -1.76 0.43 0.00 0.04 0.00 0.00 34.50 33.15 1ukg s PRO 208 CO 0.09 -2.61 1.96 0.93 0.04 0.00 0.00 177.00 177.41 1ukg h GLU 209 N -1.81 1.10 -5.74 4.56 5.08 -1.96 -3.41 114.58 112.40 1ukg h GLU 209 Ca -0.53 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.09 1ukg h GLU 209 Cb 1.32 -0.25 -0.24 0.00 0.50 0.00 0.00 28.75 30.09 1ukg h GLU 209 CO 0.58 0.73 -0.74 -1.58 -1.00 0.00 0.00 179.01 177.00 1ukg s TRP 210 N -5.92 2.83 0.28 4.33 0.52 -1.26 -0.41 118.94 119.30 1ukg s TRP 210 Ca -0.12 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.70 1ukg s TRP 210 Cb 0.18 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 1ukg s TRP 210 CO 0.79 0.02 0.21 0.14 0.02 0.00 0.00 176.95 178.14 1ukg s VAL 211 N -0.16 0.02 0.13 4.03 -7.23 -0.45 -4.28 120.40 112.47 1ukg s VAL 211 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1ukg s VAL 211 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1ukg s VAL 211 CO 0.03 0.00 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.48 1ukg s ARG 212 N -3.75 1.24 0.12 4.82 0.52 -0.38 -0.16 118.95 121.36 1ukg s ARG 212 Ca 0.40 -1.30 0.10 0.00 -0.52 0.00 0.00 55.73 54.41 1ukg s ARG 212 Cb 0.04 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.01 1ukg s ARG 212 CO 0.21 0.33 -0.24 0.14 0.02 0.00 0.00 175.30 175.75 1ukg s VAL 213 N -1.49 2.04 0.00 3.52 -7.23 -1.26 -2.10 120.40 113.88 1ukg s VAL 213 Ca 0.12 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ukg s VAL 213 Cb -0.08 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1ukg s VAL 213 CO 0.06 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1ukg n GLY 214 N 0.96 1.03 3.15 2.32 0.00 -0.74 -1.62 105.19 110.31 1ukg n GLY 214 Ca -0.18 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.04 1.01 0.02 1.61 0.40 -0.44 -0.89 117.98 117.64 1ukg s PHE 215 Ca 0.00 -0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1ukg s PHE 215 Cb 0.00 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 1ukg s PHE 215 CO 0.00 -0.01 -0.01 0.45 0.70 0.00 0.00 175.22 176.35 1ukg s SER 216 N -2.21 0.22 0.08 1.36 0.15 0.09 -1.37 113.70 112.02 1ukg s SER 216 Ca 0.02 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 56.00 1ukg s SER 216 Cb -0.05 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1ukg s SER 216 CO 0.00 -0.31 0.47 0.00 1.20 0.00 0.00 173.24 174.60 1ukg s ALA 217 N -1.47 -1.18 0.15 5.45 0.00 -0.76 -0.02 121.76 123.94 1ukg s ALA 217 Ca -0.16 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1ukg s ALA 217 Cb -0.10 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.60 1ukg s ALA 217 CO -0.01 -0.56 0.52 0.00 0.00 0.00 0.00 175.76 175.71 1ukg s ALA 218 N -2.99 -1.31 -0.03 0.00 0.00 -1.17 -2.06 121.76 114.21 1ukg s ALA 218 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1ukg s ALA 218 Cb 0.00 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1ukg s ALA 218 CO -0.06 -0.73 0.06 -1.12 0.00 0.00 0.00 175.76 173.92 1ukg s SER 219 N -2.78 0.02 0.00 0.00 0.01 -0.29 -0.16 113.70 110.49 1ukg s SER 219 Ca 0.02 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1ukg s SER 219 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1ukg s SER 219 CO -0.12 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1ukg n GLY 220 N 4.20 0.30 0.22 3.44 0.00 -1.26 -1.62 105.19 110.46 1ukg n GLY 220 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.61 -6.20 1.61 5.08 -1.97 -0.94 114.58 112.77 1ukg h GLU 221 Ca 0.00 -0.39 -0.53 0.00 -1.00 0.00 0.00 59.36 57.44 1ukg h GLU 221 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ukg h GLU 221 CO 0.00 1.01 -0.36 -0.65 -1.00 0.00 0.00 179.01 178.01 1ukg s GLN 222 N -4.00 3.49 0.17 2.33 1.11 -1.26 -4.82 119.66 116.67 1ukg s GLN 222 Ca -0.08 -0.44 -0.06 0.00 0.01 0.00 0.00 55.36 54.80 1ukg s GLN 222 Cb 0.11 -2.86 -0.02 0.00 -1.01 0.00 0.00 33.01 29.23 1ukg s GLN 222 CO 0.85 0.41 0.21 1.52 0.01 0.00 0.00 175.29 178.29 1ukg s TYR 223 N -1.88 0.66 -0.13 0.91 1.13 -1.25 -4.26 117.35 112.53 1ukg s TYR 223 Ca 0.37 -1.00 -0.32 0.00 -1.41 0.00 0.00 57.07 54.71 1ukg s TYR 223 Cb -0.11 -0.25 0.13 0.00 -1.10 0.00 0.00 41.96 40.64 1ukg s TYR 223 CO 0.29 -0.67 1.08 1.14 -2.51 0.00 0.00 175.55 174.88 1ukg s GLN 224 N -4.03 0.51 0.46 -3.49 -2.07 -1.10 -3.65 119.66 106.29 1ukg s GLN 224 Ca 0.23 -0.14 -0.19 0.00 -1.82 0.00 0.00 55.36 53.44 1ukg s GLN 224 Cb 0.05 0.24 -0.10 0.00 -1.09 0.00 0.00 33.01 32.11 1ukg s GLN 224 CO 0.03 -0.21 0.95 0.95 -1.32 0.00 0.00 175.29 175.69 1ukg s THR 225 N -2.41 4.46 -0.38 3.63 -4.23 0.01 -4.86 115.64 111.86 1ukg s THR 225 Ca 0.06 1.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.94 1ukg s THR 225 Cb -0.01 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.30 1ukg s THR 225 CO -0.06 -0.45 0.16 -1.00 -0.54 0.00 0.00 174.62 172.74 1ukg s HIS 226 N -2.33 2.13 -0.35 3.99 0.09 -1.26 -3.22 115.29 114.35 1ukg s HIS 226 Ca 0.60 -2.26 -0.11 0.00 -0.00 0.00 0.00 55.06 53.29 1ukg s HIS 226 Cb -0.09 -1.98 0.01 0.00 -0.00 0.00 0.00 32.58 30.51 1ukg s HIS 226 CO 0.20 -0.84 0.20 0.99 -0.00 0.00 0.00 174.74 175.29 1ukg s THR 227 N 0.87 4.79 -0.30 1.30 2.01 -0.66 -1.74 115.64 121.91 1ukg s THR 227 Ca 0.14 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 1ukg s THR 227 Cb -0.21 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1ukg s THR 227 CO -0.10 -0.09 0.72 -0.22 -0.69 0.00 0.00 174.62 174.24 1ukg s LEU 228 N 1.62 4.11 -0.12 4.42 2.96 0.02 -1.61 118.68 130.08 1ukg s LEU 228 Ca 0.04 0.60 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1ukg s LEU 228 Cb -0.18 -2.98 -0.24 0.00 0.50 0.00 0.00 46.19 43.30 1ukg s LEU 228 CO 0.08 -0.55 0.35 -0.62 -1.32 0.00 0.00 176.35 174.29 1ukg n GLU 229 N 6.05 0.69 -3.52 1.98 1.02 -0.01 -1.12 120.64 125.72 1ukg n GLU 229 Ca 0.02 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1ukg n GLU 229 Cb 0.48 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 -6.37 -0.44 -0.28 1.62 1.04 -1.20 -4.30 113.70 103.77 1ukg s SER 230 Ca -0.16 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 1ukg s SER 230 Cb 0.07 0.57 0.12 0.00 0.10 0.00 0.00 66.02 66.87 1ukg s SER 230 CO 0.78 -0.95 0.86 0.86 0.98 0.00 0.00 173.24 175.76 1ukg s TRP 231 N -3.78 -0.76 0.02 5.02 -0.00 -0.45 -2.35 118.94 116.63 1ukg s TRP 231 Ca 0.02 1.56 0.04 0.00 -0.00 0.00 0.00 56.10 57.72 1ukg s TRP 231 Cb -0.00 0.45 -0.02 0.00 -0.00 0.00 0.00 33.47 33.90 1ukg s TRP 231 CO -0.11 -0.38 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.81 1ukg s SER 232 N 1.33 1.27 -0.04 5.86 1.04 0.29 0.43 113.70 123.89 1ukg s SER 232 Ca -0.08 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 1ukg s SER 232 Cb -0.04 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1ukg s SER 232 CO -0.16 0.02 0.14 0.12 0.98 0.00 0.00 173.24 174.34 1ukg s PHE 233 N -0.70 -0.10 -0.07 5.02 2.19 -0.26 -1.03 117.98 123.02 1ukg s PHE 233 Ca 0.00 0.25 -0.08 0.00 0.33 0.00 0.00 56.93 57.43 1ukg s PHE 233 Cb -0.07 0.03 0.02 0.00 -1.31 0.00 0.00 43.02 41.69 1ukg s PHE 233 CO 0.01 -0.12 0.21 -0.08 1.83 0.00 0.00 175.22 177.07 1ukg s THR 234 N -0.26 0.01 -0.06 0.12 -1.32 -0.49 -1.36 115.64 112.28 1ukg s THR 234 Ca -0.03 -0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 60.29 1ukg s THR 234 Cb -0.03 -0.33 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1ukg s THR 234 CO 0.00 -0.04 0.21 -0.94 -2.21 0.00 0.00 174.62 171.64 1ukg s SER 235 N -0.07 -0.18 -0.09 8.08 1.04 -0.02 -0.91 113.70 121.54 1ukg s SER 235 Ca -0.02 0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.68 1ukg s SER 235 Cb -0.02 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1ukg s SER 235 CO 0.01 -0.14 0.22 -0.89 0.98 0.00 0.00 173.24 173.41 1ukg s THR 236 N -0.18 -0.03 0.04 2.02 2.01 -0.52 -1.32 115.64 117.66 1ukg s THR 236 Ca -0.03 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1ukg s THR 236 Cb -0.03 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1ukg s THR 236 CO 0.01 0.05 1.20 -0.76 -0.69 0.00 0.00 174.62 174.42 1ukg s LEU 237 N 0.94 4.36 0.16 4.42 1.43 -0.54 -0.85 118.68 128.59 1ukg s LEU 237 Ca -0.07 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 1ukg s LEU 237 Cb -0.08 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1ukg s LEU 237 CO -0.06 -0.49 -0.17 -0.76 0.23 0.00 0.00 176.35 175.11 1ukg s LEU 238 N 1.25 2.45 0.13 1.79 1.43 -0.66 -4.94 118.68 120.13 1ukg s LEU 238 Ca 0.58 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 1ukg s LEU 238 Cb -0.29 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.13 1ukg s LEU 238 CO 0.28 -0.08 1.18 -0.31 0.23 0.00 0.00 176.35 177.65 1ukg s TYR 239 N -2.21 3.47 -0.18 0.29 2.02 -1.26 -1.79 117.35 117.68 1ukg s TYR 239 Ca 0.15 1.40 -0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1ukg s TYR 239 Cb -0.05 -3.39 -0.01 0.00 -0.40 0.00 0.00 41.96 38.11 1ukg s TYR 239 CO 0.06 -1.11 -0.07 0.99 -1.57 0.00 0.00 175.55 173.84 1ukg s THR 240 N 0.42 3.33 0.00 -0.71 2.01 -1.25 -4.93 115.64 114.51 1ukg s THR 240 Ca 0.55 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ukg s THR 240 Cb -0.30 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.73 1ukg s THR 240 CO 0.33 0.47 0.00 0.00 -0.69 0.00 0.00 174.62 174.72