#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u05 n SER 2 N 0.00 -2.54 -3.88 6.12 2.88 -1.22 -4.90 113.62 110.08 1u05 n SER 2 Ca 0.00 -0.06 -0.55 0.00 -1.33 0.00 0.00 58.87 56.93 1u05 n SER 2 Cb 0.00 -1.57 -0.09 0.00 -0.75 0.00 0.00 64.21 61.80 1u05 n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u05 n LYS 3 N -1.52 0.00 -3.97 -1.46 5.02 -1.24 -4.89 118.16 110.10 1u05 n LYS 3 Ca -0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 1u05 n LYS 3 Cb 0.53 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 1u05 n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1u05 s LEU 4 N 3.03 2.92 0.02 -0.35 2.96 -1.26 -4.03 118.68 121.97 1u05 s LEU 4 Ca 0.90 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 1u05 s LEU 4 Cb -1.25 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1u05 s LEU 4 CO 0.66 -0.00 1.10 -0.63 -1.32 0.00 0.00 176.35 176.15 1u05 s ILE 5 N 1.38 4.44 -0.20 6.68 1.01 -0.24 -4.93 121.20 129.34 1u05 s ILE 5 Ca 0.05 1.75 -0.05 0.00 0.00 0.00 0.00 60.65 62.40 1u05 s ILE 5 Cb -0.14 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1u05 s ILE 5 CO -0.02 0.12 -0.01 -0.69 0.00 0.00 0.00 174.94 174.34 1u05 s VAL 6 N 1.15 3.91 0.21 2.92 1.01 -1.26 -1.18 120.40 127.16 1u05 s VAL 6 Ca 0.55 -0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.88 1u05 s VAL 6 Cb -0.25 -2.76 -0.13 0.00 0.00 0.00 0.00 36.38 33.24 1u05 s VAL 6 CO 0.28 0.43 1.57 -2.65 0.00 0.00 0.00 175.10 174.73 1u05 n PRO 7 N 4.20 2.35 -3.01 2.72 -0.02 -1.26 -4.90 135.00 135.08 1u05 n PRO 7 Ca -0.17 0.84 -0.44 0.00 -2.02 0.00 0.00 63.50 61.71 1u05 n PRO 7 Cb 0.52 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1u05 n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u05 s GLN 8 N 0.36 3.40 0.22 -0.52 -1.52 -1.26 -4.94 119.66 115.40 1u05 s GLN 8 Ca 0.73 -1.61 -0.23 0.00 -1.95 0.00 0.00 55.36 52.30 1u05 s GLN 8 Cb -0.60 -4.60 0.04 0.00 -0.22 0.00 0.00 33.01 27.63 1u05 s GLN 8 CO 0.42 -1.67 0.77 1.67 -0.25 0.00 0.00 175.29 176.23 1u05 s TRP 9 N 2.58 -0.23 -0.82 0.91 1.48 -1.26 -4.55 118.94 117.04 1u05 s TRP 9 Ca 0.24 -0.13 -0.24 0.00 -1.06 0.00 0.00 56.10 54.91 1u05 s TRP 9 Cb -0.12 0.66 -0.17 0.00 -1.16 0.00 0.00 33.47 32.69 1u05 s TRP 9 CO -0.03 -1.05 1.90 -2.30 -4.06 0.00 0.00 176.95 171.41 1u05 n PRO 10 N -0.44 1.29 -1.65 3.25 -0.02 -1.26 -4.92 135.00 131.26 1u05 n PRO 10 Ca -0.07 -1.93 -0.45 0.00 -2.02 0.00 0.00 63.50 59.04 1u05 n PRO 10 Cb 0.60 -3.16 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 1u05 n PRO 10 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1u05 n LEU 11 N 10.30 3.63 -4.68 2.45 7.94 -1.26 -4.95 117.00 130.44 1u05 n LEU 11 Ca 0.48 0.79 -0.30 0.00 -1.11 0.00 0.00 56.01 55.87 1u05 n LEU 11 Cb 0.43 -1.46 0.16 0.00 0.53 0.00 0.00 43.42 43.08 1u05 n LEU 11 CO 0.93 -0.09 0.65 -2.84 -1.11 0.00 0.00 177.39 174.93 1u05 s PRO 12 N 4.73 0.94 0.00 1.96 0.02 -1.26 -4.97 135.00 136.42 1u05 s PRO 12 Ca 0.94 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1u05 s PRO 12 Cb -0.54 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1u05 s PRO 12 CO 0.45 -2.51 0.82 1.63 -0.33 0.00 0.00 177.00 177.06 1u05 n LYS 13 N -4.09 0.00 -0.43 5.54 5.02 -1.26 -2.80 118.16 120.14 1u05 n LYS 13 Ca 0.07 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 57.01 1u05 n LYS 13 Cb 0.54 -1.32 0.06 0.00 -0.02 0.00 0.00 35.03 34.30 1u05 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u05 n GLY 14 N -0.97 2.87 3.22 0.72 0.00 -1.26 -4.86 105.19 104.91 1u05 n GLY 14 Ca 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1u05 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u05 s VAL 15 N -1.13 1.58 0.01 1.61 1.01 -1.12 0.10 120.40 122.47 1u05 s VAL 15 Ca 0.19 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1u05 s VAL 15 Cb 0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1u05 s VAL 15 CO 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 175.10 175.41 1u05 s ALA 16 N -0.63 0.26 0.00 5.51 0.00 -0.58 -4.64 121.76 121.69 1u05 s ALA 16 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1u05 s ALA 16 Cb -0.08 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1u05 s ALA 16 CO 0.00 -0.02 0.24 0.00 0.00 0.00 0.00 175.76 175.99 1u05 s ALA 17 N -0.68 -0.57 0.07 0.00 0.00 -1.26 -1.44 121.76 117.89 1u05 s ALA 17 Ca -0.06 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 1u05 s ALA 17 Cb -0.05 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1u05 s ALA 17 CO -0.00 -0.27 0.45 0.00 0.00 0.00 0.00 175.76 175.93 1u05 s SER 19 N -2.26 0.50 0.73 0.00 0.15 -0.32 0.11 113.70 112.61 1u05 s SER 19 Ca -0.03 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.51 1u05 s SER 19 Cb -0.00 -0.24 0.07 0.00 -1.71 0.00 0.00 66.02 64.14 1u05 s SER 19 CO -0.05 -0.10 1.05 -0.94 1.20 0.00 0.00 173.24 174.40 1u05 s SER 20 N 1.05 4.67 0.23 5.45 1.04 0.15 -1.08 113.70 125.21 1u05 s SER 20 Ca -0.09 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1u05 s SER 20 Cb -0.14 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.88 1u05 s SER 20 CO -0.02 -1.71 0.11 0.42 0.98 0.00 0.00 173.24 173.02 1u05 s THR 21 N -3.32 0.32 -1.08 2.02 -4.23 -1.26 -4.53 115.64 103.55 1u05 s THR 21 Ca 0.61 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1u05 s THR 21 Cb -0.10 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.37 1u05 s THR 21 CO 0.46 -0.02 1.61 -2.11 -0.54 0.00 0.00 174.62 174.02 1u05 n ARG 22 N -0.37 0.05 -3.29 3.99 1.85 -0.43 -4.59 116.66 113.88 1u05 n ARG 22 Ca 0.01 0.16 -0.30 0.00 -1.00 0.00 0.00 57.85 56.71 1u05 n ARG 22 Cb 0.66 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.53 1u05 n ARG 22 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1u05 s ILE 23 N -2.92 4.93 0.00 8.89 1.01 -1.26 -1.61 121.20 130.24 1u05 s ILE 23 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1u05 s ILE 23 Cb 0.13 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1u05 s ILE 23 CO 0.34 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1u05 n GLY 24 N -0.62 0.73 0.00 6.18 0.00 -1.26 -3.70 105.19 106.52 1u05 n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u05 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u05 n GLY 25 N -2.43 0.95 0.00 -0.02 0.00 -1.26 -3.42 105.19 99.02 1u05 n GLY 25 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1u05 n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u05 n VAL 26 N 0.00 0.00 -1.46 1.61 3.14 -1.19 -4.62 118.33 115.82 1u05 n VAL 26 Ca 0.00 -0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 60.95 1u05 n VAL 26 Cb 0.00 1.31 0.08 0.00 -1.06 0.00 0.00 33.84 34.17 1u05 n VAL 26 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1u05 s SER 27 N -0.14 4.77 0.28 6.55 0.01 -1.12 -4.81 113.70 119.24 1u05 s SER 27 Ca 0.00 1.57 0.09 0.00 1.31 0.00 0.00 55.95 58.92 1u05 s SER 27 Cb 0.00 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1u05 s SER 27 CO 0.00 -1.83 0.03 -0.76 0.41 0.00 0.00 173.24 171.09 1u05 s LEU 28 N -5.76 3.21 0.49 2.44 1.43 -1.26 -1.36 118.68 117.88 1u05 s LEU 28 Ca 0.60 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 1u05 s LEU 28 Cb -0.15 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 1u05 s LEU 28 CO 0.55 -0.06 0.60 -0.81 0.23 0.00 0.00 176.35 176.86 1u05 n PRO 29 N -0.95 0.65 -0.45 1.29 -0.04 -1.26 -1.07 135.00 133.18 1u05 n PRO 29 Ca -0.06 0.24 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1u05 n PRO 29 Cb 0.59 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1u05 n PRO 29 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1u05 n PRO 30 N 0.22 1.42 -0.20 0.54 -0.04 -1.26 -4.76 135.00 130.92 1u05 n PRO 30 Ca 0.11 -0.97 0.04 0.00 -0.04 0.00 0.00 63.50 62.64 1u05 n PRO 30 Cb 0.43 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 1u05 n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u05 n TYR 31 N 0.09 0.00 -0.94 0.54 4.02 -0.23 -3.73 117.16 116.91 1u05 n TYR 31 Ca 0.19 -0.46 -0.36 0.00 -0.01 0.00 0.00 57.90 57.26 1u05 n TYR 31 Cb 0.83 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 40.02 1u05 n TYR 31 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u05 n ASP 32 N -0.64 -0.21 0.00 7.72 5.75 -1.00 -4.29 116.55 123.89 1u05 n ASP 32 Ca 0.06 0.74 0.00 0.00 -0.01 0.00 0.00 54.79 55.58 1u05 n ASP 32 Cb 0.59 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1u05 n ASP 32 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1u05 n SER 33 N 1.04 0.00 -3.22 -1.12 7.64 -0.46 -4.76 113.62 112.74 1u05 n SER 33 Ca 0.12 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.80 1u05 n SER 33 Cb 0.08 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1u05 n SER 33 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1u05 n LEU 34 N 0.00 2.31 -4.70 -3.43 7.94 -0.63 -2.78 117.00 115.71 1u05 n LEU 34 Ca 0.00 -1.95 -0.41 0.00 -1.11 0.00 0.00 56.01 52.53 1u05 n LEU 34 Cb 0.00 -0.78 -0.04 0.00 0.53 0.00 0.00 43.42 43.14 1u05 n LEU 34 CO 0.00 -0.65 0.61 0.21 -1.11 0.00 0.00 177.39 176.46 1u05 s ASN 35 N 4.81 7.13 -0.00 1.96 3.04 -1.26 -4.63 114.94 125.99 1u05 s ASN 35 Ca 0.32 1.38 0.22 0.00 0.04 0.00 0.00 52.86 54.81 1u05 s ASN 35 Cb 0.08 -2.49 -0.29 0.00 -1.54 0.00 0.00 41.25 37.00 1u05 s ASN 35 CO 0.06 -0.30 0.58 0.18 -3.04 0.00 0.00 177.10 174.58 1u05 n LEU 36 N 4.48 0.16 -4.73 3.21 4.77 -0.55 -4.60 117.00 119.74 1u05 n LEU 36 Ca 0.04 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1u05 n LEU 36 Cb 0.50 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1u05 n LEU 36 CO 0.50 -0.01 0.98 -0.83 -1.33 0.00 0.00 177.39 176.70 1u05 s GLY 37 N -4.40 2.35 0.00 -0.72 0.00 -1.26 -4.92 107.32 98.37 1u05 s GLY 37 Ca -0.06 1.06 0.24 0.00 0.00 0.00 0.00 44.72 45.96 1u05 s GLY 37 CO 0.89 2.11 1.27 0.00 0.00 0.00 0.00 173.10 177.38 1u05 n ALA 38 N 3.11 2.45 -2.02 3.20 0.00 -1.26 -4.44 120.51 121.55 1u05 n ALA 38 Ca 0.08 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1u05 n ALA 38 Cb 0.43 -0.81 0.08 0.00 0.00 0.00 0.00 19.45 19.16 1u05 n ALA 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u05 n HIS 39 N 1.36 1.46 -0.70 0.00 8.25 -1.26 -4.68 115.22 119.65 1u05 n HIS 39 Ca 0.15 -1.84 0.04 0.00 -0.26 0.00 0.00 57.72 55.81 1u05 n HIS 39 Cb 0.60 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 31.48 1u05 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u05 n GLY 41 N -0.77 0.69 3.91 0.00 0.00 -1.26 -4.74 105.19 103.02 1u05 n GLY 41 Ca 0.06 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1u05 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u05 s ASP 42 N -2.19 4.29 -0.51 1.61 2.15 -1.26 -4.98 116.67 115.78 1u05 s ASP 42 Ca 0.00 0.66 -0.29 0.00 0.43 0.00 0.00 52.55 53.35 1u05 s ASP 42 Cb 0.00 -1.08 0.03 0.00 -0.30 0.00 0.00 42.92 41.57 1u05 s ASP 42 CO 0.00 -2.02 1.15 0.21 -0.17 0.00 0.00 175.17 174.34 1u05 s ASN 43 N -4.63 6.58 0.36 -0.34 2.47 -1.26 -4.92 114.94 113.21 1u05 s ASN 43 Ca 0.64 0.36 0.19 0.00 0.42 0.00 0.00 52.86 54.47 1u05 s ASN 43 Cb -0.10 -2.55 1.28 0.00 -1.45 0.00 0.00 41.25 38.44 1u05 s ASN 43 CO 0.49 -1.31 1.59 1.55 -3.72 0.00 0.00 177.10 175.70 1u05 h PRO 44 N 9.32 0.03 -0.34 0.43 0.13 -1.95 0.57 132.00 140.20 1u05 h PRO 44 Ca -0.24 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1u05 h PRO 44 Cb 1.06 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1u05 h PRO 44 CO 1.14 0.02 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.32 1u05 h ASP 45 N 0.03 0.61 -0.28 1.44 3.32 -1.97 0.66 116.42 120.23 1u05 h ASP 45 Ca 0.82 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.60 1u05 h ASP 45 Cb 2.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.50 1u05 h ASP 45 CO -0.77 0.80 -0.16 0.45 -1.72 0.00 0.00 179.24 177.85 1u05 h HIS 46 N 0.55 0.69 -0.55 4.55 3.86 -0.29 0.07 115.15 124.04 1u05 h HIS 46 Ca 0.09 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1u05 h HIS 46 Cb 0.61 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 1u05 h HIS 46 CO 0.03 0.85 0.21 0.28 0.86 0.00 0.00 177.93 180.15 1u05 h VAL 47 N 0.33 1.20 -0.65 2.45 2.07 -0.87 0.44 116.25 121.22 1u05 h VAL 47 Ca 0.06 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1u05 h VAL 47 Cb 0.68 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1u05 h VAL 47 CO 0.04 0.26 0.20 -0.08 0.02 0.00 0.00 177.57 178.01 1u05 h GLU 48 N 0.79 0.99 0.08 1.57 4.22 0.70 -1.39 114.58 121.55 1u05 h GLU 48 Ca 0.19 -0.20 -0.28 0.00 0.08 0.00 0.00 59.36 59.15 1u05 h GLU 48 Cb 0.18 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1u05 h GLU 48 CO -0.02 0.85 -1.17 1.49 -2.18 0.00 0.00 179.01 177.98 1u05 h GLU 49 N 0.96 0.58 -0.71 1.92 4.57 0.21 -2.86 114.58 119.24 1u05 h GLU 49 Ca 0.21 -0.74 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1u05 h GLU 49 Cb 0.28 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1u05 h GLU 49 CO -0.01 1.32 0.32 -0.91 -1.18 0.00 0.00 179.01 178.56 1u05 h ASN 50 N 0.28 0.93 -0.33 1.04 2.35 0.03 -1.82 115.58 118.06 1u05 h ASN 50 Ca -0.16 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.32 1u05 h ASN 50 Cb 1.84 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 1u05 h ASN 50 CO 0.22 0.80 -0.38 0.03 -1.65 0.00 0.00 177.43 176.45 1u05 h ARG 51 N 1.02 0.89 -0.23 0.81 3.08 -1.30 -2.44 114.38 116.20 1u05 h ARG 51 Ca 0.24 -0.46 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 1u05 h ARG 51 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1u05 h ARG 51 CO -0.03 1.11 -0.27 0.87 -1.07 0.00 0.00 179.97 180.58 1u05 h LYS 52 N 0.72 0.44 -0.29 0.04 1.57 -1.25 -1.11 116.57 116.69 1u05 h LYS 52 Ca 0.06 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1u05 h LYS 52 Cb 0.97 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1u05 h LYS 52 CO 0.09 0.67 -0.22 0.00 -0.57 0.00 0.00 179.45 179.42 1u05 h ARG 53 N 0.39 0.67 -0.28 3.15 3.08 -1.26 -2.64 114.38 117.48 1u05 h ARG 53 Ca 0.06 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1u05 h ARG 53 Cb 0.68 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1u05 h ARG 53 CO 0.05 0.93 0.05 1.25 -1.07 0.00 0.00 179.97 181.18 1u05 h LEU 54 N 0.41 0.44 -1.28 3.04 6.46 -1.27 0.16 115.31 123.27 1u05 h LEU 54 Ca 0.05 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1u05 h LEU 54 Cb 0.78 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1u05 h LEU 54 CO 0.06 0.58 0.51 -0.26 -0.62 0.00 0.00 178.44 178.71 1u05 h PHE 55 N 0.28 0.89 0.20 1.25 0.05 -1.24 1.08 116.94 119.46 1u05 h PHE 55 Ca 0.09 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1u05 h PHE 55 Cb 0.32 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1u05 h PHE 55 CO 0.02 0.50 -0.10 0.00 -0.18 0.00 0.00 178.31 178.56 1u05 h ALA 56 N 1.56 -0.27 -0.72 2.45 0.00 -1.21 0.23 119.26 121.30 1u05 h ALA 56 Ca 0.32 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1u05 h ALA 56 Cb 0.11 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1u05 h ALA 56 CO -0.10 -0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.10 1u05 h ALA 57 N -0.35 0.99 0.00 0.00 0.00 -0.24 0.52 119.26 120.17 1u05 h ALA 57 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u05 h ALA 57 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1u05 h ALA 57 CO 0.05 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1u05 n GLY 58 N -1.31 -1.38 3.72 0.00 0.00 0.37 -4.91 105.19 101.68 1u05 n GLY 58 Ca 0.12 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1u05 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u05 n ASN 59 N -1.74 -1.43 -4.76 1.61 4.05 0.18 -4.94 115.26 108.22 1u05 n ASN 59 Ca 0.05 -0.82 -0.39 0.00 0.45 0.00 0.00 54.58 53.87 1u05 n ASN 59 Cb 0.30 -4.02 -0.06 0.00 1.23 0.00 0.00 39.78 37.23 1u05 n ASN 59 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1u05 s LEU 60 N -6.74 4.59 0.47 1.20 1.43 -0.51 -4.96 118.68 114.16 1u05 s LEU 60 Ca 0.06 1.88 0.20 0.00 -1.03 0.00 0.00 54.13 55.24 1u05 s LEU 60 Cb -0.03 -3.62 1.14 0.00 0.03 0.00 0.00 46.19 43.71 1u05 s LEU 60 CO 0.82 0.13 2.00 1.55 0.23 0.00 0.00 176.35 181.07 1u05 h PRO 61 N 4.02 0.00 -3.68 1.29 0.13 -1.91 -3.46 132.00 128.39 1u05 h PRO 61 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1u05 h PRO 61 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1u05 h PRO 61 CO 0.67 0.19 -0.02 -1.54 -0.23 0.00 0.00 178.00 177.07 1u05 s SER 62 N -6.63 0.48 0.36 1.44 1.04 -1.26 -5.08 113.70 104.05 1u05 s SER 62 Ca -0.03 -1.29 -0.27 0.00 0.48 0.00 0.00 55.95 54.84 1u05 s SER 62 Cb 0.14 0.72 -0.09 0.00 0.10 0.00 0.00 66.02 66.89 1u05 s SER 62 CO 0.65 -1.41 1.15 -0.54 0.98 0.00 0.00 173.24 174.07 1u05 s LYS 63 N -2.95 4.27 0.65 4.02 1.02 -1.26 -4.84 119.74 120.65 1u05 s LYS 63 Ca 0.24 1.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.88 1u05 s LYS 63 Cb -0.02 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1u05 s LYS 63 CO 0.16 -0.13 1.20 -1.25 -0.92 0.00 0.00 175.35 174.41 1u05 s PRO 64 N -2.03 2.63 -1.16 -1.68 0.04 -1.26 -4.60 135.00 126.94 1u05 s PRO 64 Ca 0.53 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 1u05 s PRO 64 Cb -0.31 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.55 1u05 s PRO 64 CO 0.39 -1.45 1.29 0.08 0.04 0.00 0.00 177.00 177.35 1u05 s VAL 65 N -1.83 5.41 0.23 -0.36 1.01 -0.94 -5.00 120.40 118.92 1u05 s VAL 65 Ca 0.75 -2.91 -0.32 0.00 0.00 0.00 0.00 61.98 59.50 1u05 s VAL 65 Cb -0.29 -4.78 -0.13 0.00 0.00 0.00 0.00 36.38 31.18 1u05 s VAL 65 CO 0.39 -1.44 1.49 0.79 0.00 0.00 0.00 175.10 176.33 1u05 n TRP 66 N 4.51 2.33 -2.89 5.22 5.03 -1.26 -4.59 117.44 125.80 1u05 n TRP 66 Ca 0.31 0.35 -0.20 0.00 3.03 0.00 0.00 57.50 60.99 1u05 n TRP 66 Cb 0.42 -2.51 0.06 0.00 -1.03 0.00 0.00 31.31 28.25 1u05 n TRP 66 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1u05 s LEU 67 N 0.23 3.18 -0.84 -0.99 1.43 -1.26 -5.04 118.68 115.39 1u05 s LEU 67 Ca 0.70 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1u05 s LEU 67 Cb -0.62 -1.98 0.21 0.00 0.03 0.00 0.00 46.19 43.82 1u05 s LEU 67 CO 0.46 -1.35 0.73 -1.61 0.23 0.00 0.00 176.35 174.81 1u05 s GLU 68 N -4.73 3.27 -0.02 1.70 2.02 -0.82 -4.97 118.70 115.15 1u05 s GLU 68 Ca 0.61 -2.91 -0.30 0.00 0.02 0.00 0.00 54.97 52.40 1u05 s GLU 68 Cb -0.07 -4.07 -0.06 0.00 0.10 0.00 0.00 34.13 30.03 1u05 s GLU 68 CO 0.39 -1.24 1.60 -0.65 0.02 0.00 0.00 175.26 175.38 1u05 s GLN 69 N -0.69 4.20 -0.05 1.61 -0.21 -1.21 -2.19 119.66 121.12 1u05 s GLN 69 Ca 0.23 2.17 0.07 0.00 0.02 0.00 0.00 55.36 57.85 1u05 s GLN 69 Cb -0.12 -3.82 0.12 0.00 1.00 0.00 0.00 33.01 30.19 1u05 s GLN 69 CO -0.08 -0.77 1.06 1.33 -2.12 0.00 0.00 175.29 174.71 1u05 n VAL 70 N 5.17 1.34 -2.33 1.09 0.24 -1.26 -4.97 118.33 117.61 1u05 n VAL 70 Ca 0.16 -1.48 -0.18 0.00 -2.04 0.00 0.00 64.34 60.81 1u05 n VAL 70 Cb 0.42 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 1u05 n VAL 70 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1u05 n HIS 71 N -0.83 -0.84 -0.03 6.34 8.25 -1.26 -5.00 115.22 121.86 1u05 n HIS 71 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1u05 n HIS 71 Cb 0.40 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 28.01 1u05 n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u05 n GLY 72 N -1.02 1.53 0.59 -1.41 0.00 -1.26 -3.80 105.19 99.83 1u05 n GLY 72 Ca -0.21 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1u05 n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u05 n LYS 73 N 0.00 0.00 -2.90 1.61 2.85 -1.26 -3.86 118.16 114.60 1u05 n LYS 73 Ca 0.00 -0.77 -0.40 0.00 -1.05 0.00 0.00 58.31 56.09 1u05 n LYS 73 Cb 0.00 -0.27 -0.06 0.00 -0.65 0.00 0.00 35.03 34.05 1u05 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1u05 s ASP 74 N -0.77 7.48 -0.11 -5.58 1.01 -1.26 -4.67 116.67 112.77 1u05 s ASP 74 Ca 0.03 1.76 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1u05 s ASP 74 Cb 0.03 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1u05 s ASP 74 CO -0.01 0.19 -0.12 -0.69 0.21 0.00 0.00 175.17 174.75 1u05 s VAL 75 N -1.17 3.20 -0.24 -1.27 1.01 -1.26 -1.10 120.40 119.58 1u05 s VAL 75 Ca 0.38 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1u05 s VAL 75 Cb -0.24 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1u05 s VAL 75 CO 0.28 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 175.75 1u05 s LEU 76 N 0.04 3.38 -0.20 3.92 2.96 0.37 -4.95 118.68 124.19 1u05 s LEU 76 Ca -0.04 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 1u05 s LEU 76 Cb -0.14 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1u05 s LEU 76 CO 0.04 -0.01 0.82 -0.54 -1.32 0.00 0.00 176.35 175.35 1u05 s LYS 77 N 1.44 4.24 -1.14 1.98 1.02 -1.26 -1.39 119.74 124.63 1u05 s LYS 77 Ca 0.05 0.97 -0.16 0.00 0.02 0.00 0.00 55.97 56.85 1u05 s LYS 77 Cb -0.15 -3.61 0.14 0.00 -0.52 0.00 0.00 37.83 33.69 1u05 s LYS 77 CO 0.03 -0.41 1.41 -0.51 -0.92 0.00 0.00 175.35 174.94 1u05 s LEU 78 N 2.45 4.74 -0.10 3.17 1.43 -0.21 -4.72 118.68 125.43 1u05 s LEU 78 Ca 0.36 -2.55 0.13 0.00 -1.03 0.00 0.00 54.13 51.04 1u05 s LEU 78 Cb -0.16 -2.44 -0.19 0.00 0.03 0.00 0.00 46.19 43.43 1u05 s LEU 78 CO 0.10 -0.95 0.14 0.35 0.23 0.00 0.00 176.35 176.22 1u05 n THR 79 N 5.30 0.65 -3.58 5.49 -2.24 -1.26 -4.75 114.28 113.88 1u05 n THR 79 Ca 0.35 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1u05 n THR 79 Cb 0.45 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1u05 n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1u05 s GLY 80 N -4.40 -0.48 0.39 3.38 0.00 -1.26 -5.05 107.32 99.89 1u05 s GLY 80 Ca -0.06 2.65 0.24 0.00 0.00 0.00 0.00 44.72 47.54 1u05 s GLY 80 CO 0.59 2.95 1.57 -2.21 0.00 0.00 0.00 173.10 176.00 1u05 n GLU 81 N 4.93 -0.05 -1.97 2.90 4.07 -1.26 -3.78 120.64 125.48 1u05 n GLU 81 Ca -0.13 1.34 -0.35 0.00 -0.06 0.00 0.00 57.16 57.96 1u05 n GLU 81 Cb 0.53 -2.47 -0.04 0.00 -0.06 0.00 0.00 31.44 29.40 1u05 n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1u05 s PRO 82 N -5.44 2.52 -0.09 5.31 0.02 -1.26 -4.88 135.00 131.18 1u05 s PRO 82 Ca -0.09 0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.46 1u05 s PRO 82 Cb 0.33 -4.55 -0.03 0.00 0.02 0.00 0.00 34.50 30.27 1u05 s PRO 82 CO 0.79 -2.98 -0.07 0.71 -0.33 0.00 0.00 177.00 175.12 1u05 s TYR 83 N 9.83 2.93 0.08 6.54 1.51 -1.25 -5.04 117.35 131.95 1u05 s TYR 83 Ca 0.72 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 56.38 1u05 s TYR 83 Cb -0.12 -1.76 -0.14 0.00 -0.11 0.00 0.00 41.96 39.83 1u05 s TYR 83 CO 0.17 0.22 1.47 0.00 -1.11 0.00 0.00 175.55 176.30 1u05 h ALA 84 N 5.63 -1.02 -2.42 3.71 0.00 -1.93 -3.44 119.26 119.78 1u05 h ALA 84 Ca -0.44 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 1u05 h ALA 84 Cb 1.18 0.75 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 1u05 h ALA 84 CO 0.54 -1.09 -0.70 0.45 0.00 0.00 0.00 179.25 178.45 1u05 s SER 85 N -4.17 1.06 0.00 0.00 0.15 -1.26 -5.03 113.70 104.45 1u05 s SER 85 Ca -0.15 -0.92 0.14 0.00 0.70 0.00 0.00 55.95 55.73 1u05 s SER 85 Cb 0.04 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1u05 s SER 85 CO 0.51 -0.42 0.79 1.17 1.20 0.00 0.00 173.24 176.49 1u05 n LYS 86 N 0.26 1.80 -1.73 5.44 4.81 -1.26 -4.95 118.16 122.53 1u05 n LYS 86 Ca -0.14 -0.74 -0.42 0.00 -0.87 0.00 0.00 58.31 56.13 1u05 n LYS 86 Cb 0.60 -1.22 -0.03 0.00 0.02 0.00 0.00 35.03 34.40 1u05 n LYS 86 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1u05 s ARG 87 N -1.73 3.06 0.03 1.64 0.52 -1.26 -1.95 118.95 119.26 1u05 s ARG 87 Ca 0.12 1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 56.78 1u05 s ARG 87 Cb 0.11 -4.35 0.10 0.00 0.52 0.00 0.00 34.95 31.34 1u05 s ARG 87 CO 0.36 -2.18 1.17 0.00 0.02 0.00 0.00 175.30 174.66 1u05 s ALA 88 N 8.35 -2.03 0.00 2.13 0.00 -0.93 -4.91 121.76 124.36 1u05 s ALA 88 Ca 0.93 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1u05 s ALA 88 Cb -0.28 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1u05 s ALA 88 CO 0.33 -1.03 0.79 -0.25 0.00 0.00 0.00 175.76 175.61 1u05 n ASP 89 N -0.47 1.29 -3.73 0.00 8.00 -0.26 -3.33 116.55 118.05 1u05 n ASP 89 Ca -0.07 -1.61 -0.13 0.00 0.71 0.00 0.00 54.79 53.69 1u05 n ASP 89 Cb 0.62 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.64 1u05 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u05 s ALA 90 N -0.61 -0.81 0.02 2.24 0.00 -0.95 0.40 121.76 122.05 1u05 s ALA 90 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1u05 s ALA 90 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1u05 s ALA 90 CO 0.00 -0.36 -0.02 -1.54 0.00 0.00 0.00 175.76 173.84 1u05 s SER 91 N -1.76 0.24 0.05 0.00 1.04 -0.14 -0.48 113.70 112.65 1u05 s SER 91 Ca -0.08 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1u05 s SER 91 Cb -0.02 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1u05 s SER 91 CO 0.00 -0.33 -0.12 -0.47 0.98 0.00 0.00 173.24 173.30 1u05 s TYR 92 N -1.62 1.04 -0.15 5.02 5.04 -0.49 -1.54 117.35 124.65 1u05 s TYR 92 Ca -0.14 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 53.91 1u05 s TYR 92 Cb -0.09 -0.61 0.04 0.00 0.35 0.00 0.00 41.96 41.66 1u05 s TYR 92 CO -0.01 0.01 0.46 0.45 -1.34 0.00 0.00 175.55 175.12 1u05 s SER 93 N -1.37 -0.46 -0.02 4.32 0.15 -0.34 -1.04 113.70 114.94 1u05 s SER 93 Ca -0.02 0.82 0.03 0.00 0.70 0.00 0.00 55.95 57.48 1u05 s SER 93 Cb -0.09 0.85 0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1u05 s SER 93 CO 0.01 -0.23 0.84 -0.46 1.20 0.00 0.00 173.24 174.61 1u05 n ASN 94 N 2.50 1.03 -4.56 5.45 0.23 -1.26 -1.50 115.26 117.14 1u05 n ASN 94 Ca -0.15 -1.80 -0.36 0.00 -0.53 0.00 0.00 54.58 51.74 1u05 n ASN 94 Cb 0.57 -0.09 -0.11 0.00 -2.08 0.00 0.00 39.78 38.06 1u05 n ASN 94 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1u05 s THR 95 N -0.76 4.83 0.53 5.53 2.01 -1.26 -4.91 115.64 121.60 1u05 s THR 95 Ca 0.05 -0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1u05 s THR 95 Cb 0.04 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1u05 s THR 95 CO 0.00 0.35 1.29 -2.84 -0.69 0.00 0.00 174.62 172.73 1u05 s PRO 96 N 1.24 3.25 0.00 4.92 0.02 -1.26 -2.93 135.00 140.23 1u05 s PRO 96 Ca 0.06 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1u05 s PRO 96 Cb -0.14 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1u05 s PRO 96 CO 0.05 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 1u05 n GLY 97 N 0.64 2.76 3.68 0.52 0.00 -0.34 -4.99 105.19 107.45 1u05 n GLY 97 Ca 0.10 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1u05 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u05 s THR 98 N -1.75 3.72 -0.36 2.61 2.01 -1.15 -4.14 115.64 116.58 1u05 s THR 98 Ca 0.00 1.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.90 1u05 s THR 98 Cb 0.00 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1u05 s THR 98 CO 0.00 -0.03 0.32 -0.69 -0.69 0.00 0.00 174.62 173.53 1u05 s VAL 99 N 2.79 5.22 -0.05 3.82 1.01 -1.26 -4.24 120.40 127.69 1u05 s VAL 99 Ca 0.65 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 1u05 s VAL 99 Cb -0.31 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1u05 s VAL 99 CO 0.26 -0.15 0.83 0.00 0.00 0.00 0.00 175.10 176.05 1u05 s ALA 101 N 1.07 -0.27 -0.05 0.00 0.00 -1.26 -1.64 121.76 119.61 1u05 s ALA 101 Ca 0.43 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1u05 s ALA 101 Cb -0.19 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1u05 s ALA 101 CO 0.21 -0.15 -0.05 0.14 0.00 0.00 0.00 175.76 175.92 1u05 s VAL 102 N -0.84 0.59 -0.20 0.00 -7.23 -0.91 -4.62 120.40 107.19 1u05 s VAL 102 Ca -0.09 -0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.77 1u05 s VAL 102 Cb -0.05 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1u05 s VAL 102 CO 0.01 0.24 0.45 -0.32 -0.31 0.00 0.00 175.10 175.17 1u05 s MET 103 N 1.01 4.18 0.29 4.82 1.75 -1.26 -1.62 119.30 128.47 1u05 s MET 103 Ca -0.10 0.29 0.04 0.00 -1.25 0.00 0.00 55.69 54.68 1u05 s MET 103 Cb -0.14 -3.55 -0.03 0.00 2.84 0.00 0.00 34.83 33.95 1u05 s MET 103 CO -0.00 -0.09 0.25 0.95 -0.65 0.00 0.00 175.02 175.48 1u05 s THR 104 N 1.44 0.00 -0.35 10.11 -4.23 0.05 -4.98 115.64 117.69 1u05 s THR 104 Ca 0.21 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1u05 s THR 104 Cb -0.15 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.43 1u05 s THR 104 CO 0.09 0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.41 1u05 n ALA 105 N -0.52 -2.13 0.00 3.99 0.00 -1.26 -0.54 120.51 120.05 1u05 n ALA 105 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1u05 n ALA 105 Cb 0.63 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1u05 n ALA 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u05 n ASP 106 N 0.01 0.00 -4.62 0.00 8.00 -1.26 -1.34 116.55 117.35 1u05 n ASP 106 Ca -0.12 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.01 1u05 n ASP 106 Cb 0.72 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 1u05 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u05 s LEU 108 N -2.08 4.18 0.00 0.00 2.96 -0.99 -4.68 118.68 118.07 1u05 s LEU 108 Ca 0.76 1.88 -0.15 0.00 -0.22 0.00 0.00 54.13 56.40 1u05 s LEU 108 Cb -0.42 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.68 1u05 s LEU 108 CO 0.47 -0.92 0.41 -2.84 -1.32 0.00 0.00 176.35 172.15 1u05 s PRO 109 N 3.93 3.92 -0.05 0.98 0.02 -1.26 -0.12 135.00 142.42 1u05 s PRO 109 Ca 0.65 0.42 -0.02 0.00 0.02 0.00 0.00 61.00 62.07 1u05 s PRO 109 Cb -0.27 -3.22 0.04 0.00 0.02 0.00 0.00 34.50 31.07 1u05 s PRO 109 CO 0.23 0.69 0.10 0.08 -0.33 0.00 0.00 177.00 177.77 1u05 s VAL 110 N -1.07 -0.11 -0.04 3.83 1.01 -0.41 -1.00 120.40 122.61 1u05 s VAL 110 Ca 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1u05 s VAL 110 Cb -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1u05 s VAL 110 CO 0.13 0.12 0.03 -0.76 0.00 0.00 0.00 175.10 174.63 1u05 s LEU 111 N 1.62 3.71 0.14 3.92 1.43 -0.62 -0.47 118.68 128.41 1u05 s LEU 111 Ca -0.03 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 1u05 s LEU 111 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1u05 s LEU 111 CO -0.04 0.32 -0.15 -0.36 0.23 0.00 0.00 176.35 176.34 1u05 s PHE 112 N -1.05 1.54 -0.17 0.29 0.08 0.26 -1.22 117.98 117.70 1u05 s PHE 112 Ca 0.18 -0.54 -0.33 0.00 0.12 0.00 0.00 56.93 56.36 1u05 s PHE 112 Cb -0.12 -0.78 0.14 0.00 -0.57 0.00 0.00 43.02 41.69 1u05 s PHE 112 CO 0.08 0.21 1.16 0.00 -0.10 0.00 0.00 175.22 176.57 1u05 s ASN 114 N -1.95 6.32 0.57 0.00 4.22 -0.91 0.45 114.94 123.64 1u05 s ASN 114 Ca 0.07 0.09 0.27 0.00 -2.14 0.00 0.00 52.86 51.15 1u05 s ASN 114 Cb -0.01 -1.87 1.69 0.00 1.28 0.00 0.00 41.25 42.34 1u05 s ASN 114 CO -0.05 -0.05 2.23 0.03 -2.04 0.00 0.00 177.10 177.22 1u05 h ARG 115 N 1.37 0.00 -0.33 3.55 3.08 -1.18 -2.44 114.38 118.42 1u05 h ARG 115 Ca -0.51 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1u05 h ARG 115 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1u05 h ARG 115 CO 0.63 0.01 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 1u05 h ALA 116 N 1.99 0.45 0.00 0.04 0.00 -1.94 -3.44 119.26 116.36 1u05 h ALA 116 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u05 h ALA 116 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u05 h ALA 116 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1u05 n GLY 117 N -0.27 1.86 0.07 0.00 0.00 -0.92 -4.66 105.19 101.27 1u05 n GLY 117 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1u05 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u05 n THR 118 N -1.07 0.00 -3.84 2.61 -2.24 -1.26 -4.57 114.28 103.91 1u05 n THR 118 Ca 0.00 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1u05 n THR 118 Cb 0.00 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 1u05 n THR 118 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1u05 s GLU 119 N -1.32 0.07 0.12 -0.78 2.02 -1.26 -4.47 118.70 113.07 1u05 s GLU 119 Ca 0.04 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.09 1u05 s GLU 119 Cb 0.05 0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.28 1u05 s GLU 119 CO 0.21 -0.02 0.10 0.14 0.02 0.00 0.00 175.26 175.72 1u05 s VAL 120 N 0.09 0.12 -0.07 2.63 -7.23 -0.56 -2.14 120.40 113.23 1u05 s VAL 120 Ca -0.00 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 1u05 s VAL 120 Cb -0.01 -1.81 0.08 0.00 0.56 0.00 0.00 36.38 35.20 1u05 s VAL 120 CO -0.00 -0.56 0.76 0.00 -0.31 0.00 0.00 175.10 174.99 1u05 s ALA 121 N -3.98 -1.81 0.02 1.32 0.00 -0.09 -1.20 121.76 116.02 1u05 s ALA 121 Ca 0.17 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.56 1u05 s ALA 121 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1u05 s ALA 121 CO -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 175.76 175.19 1u05 s ALA 122 N -1.23 1.51 -0.02 0.00 0.00 -0.59 0.89 121.76 122.32 1u05 s ALA 122 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1u05 s ALA 122 Cb -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1u05 s ALA 122 CO 0.07 0.34 0.02 0.08 0.00 0.00 0.00 175.76 176.27 1u05 s VAL 123 N -0.68 -0.01 -0.55 0.00 1.01 0.38 -0.97 120.40 119.59 1u05 s VAL 123 Ca 0.06 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1u05 s VAL 123 Cb -0.08 -0.11 0.12 0.00 0.00 0.00 0.00 36.38 36.31 1u05 s VAL 123 CO 0.01 0.09 0.56 -2.28 0.00 0.00 0.00 175.10 173.48 1u05 s HIS 124 N 0.98 3.17 -0.82 5.22 5.65 0.16 -1.28 115.29 128.37 1u05 s HIS 124 Ca -0.09 -1.17 -0.14 0.00 0.25 0.00 0.00 55.06 53.91 1u05 s HIS 124 Cb -0.12 -3.83 0.21 0.00 -1.18 0.00 0.00 32.58 27.66 1u05 s HIS 124 CO -0.03 -1.09 0.78 0.00 -0.65 0.00 0.00 174.74 173.76 1u05 s ALA 125 N 1.93 4.02 0.94 1.58 0.00 0.83 -4.81 121.76 126.26 1u05 s ALA 125 Ca 0.06 -3.26 -0.13 0.00 0.00 0.00 0.00 51.96 48.63 1u05 s ALA 125 Cb -0.28 -3.54 0.16 0.00 0.00 0.00 0.00 23.12 19.46 1u05 s ALA 125 CO 0.04 -2.31 1.14 0.20 0.00 0.00 0.00 175.76 174.83 1u05 s GLY 126 N 2.31 1.58 0.38 0.00 0.00 -1.26 -2.34 107.32 107.99 1u05 s GLY 126 Ca 0.18 -0.55 0.09 0.00 0.00 0.00 0.00 44.72 44.43 1u05 s GLY 126 CO -0.08 0.04 1.91 0.11 0.00 0.00 0.00 173.10 175.08 1u05 h TRP 127 N -1.63 0.30 -0.11 1.90 5.08 -1.96 -0.48 115.95 119.05 1u05 h TRP 127 Ca -0.51 -0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.39 1u05 h TRP 127 Cb 1.33 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1u05 h TRP 127 CO 0.10 0.39 -0.07 0.00 -1.28 0.00 0.00 178.44 177.58 1u05 h ARG 128 N 0.28 0.25 -0.02 0.12 3.08 -1.92 0.01 114.38 116.19 1u05 h ARG 128 Ca 0.06 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1u05 h ARG 128 Cb 0.35 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1u05 h ARG 128 CO 0.02 0.62 -0.47 0.78 -1.07 0.00 0.00 179.97 179.85 1u05 h GLY 129 N -0.12 0.05 0.71 0.04 0.00 -1.63 0.57 103.07 102.68 1u05 h GLY 129 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1u05 h GLY 129 CO 0.02 0.04 -0.05 -2.00 0.00 0.00 0.00 176.54 174.55 1u05 h LEU 130 N 0.04 -0.13 -0.24 3.11 5.85 -1.01 0.57 115.31 123.50 1u05 h LEU 130 Ca -0.00 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1u05 h LEU 130 Cb 0.84 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1u05 h LEU 130 CO 0.06 0.18 0.15 0.00 -0.34 0.00 0.00 178.44 178.49 1u05 n ALA 132 N -2.18 1.61 -1.16 0.00 0.00 0.19 -4.87 120.51 114.10 1u05 n ALA 132 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1u05 n ALA 132 Cb 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1u05 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u05 n GLY 133 N -0.49 0.90 0.12 0.00 0.00 0.00 -5.01 105.19 100.71 1u05 n GLY 133 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1u05 n GLY 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u05 h VAL 134 N 0.00 0.71 -0.16 1.61 3.04 -0.07 -3.16 116.25 118.22 1u05 h VAL 134 Ca 0.00 -2.11 -0.21 0.00 -1.01 0.00 0.00 66.70 63.37 1u05 h VAL 134 Cb 0.76 2.25 0.01 0.00 -2.01 0.00 0.00 31.29 32.30 1u05 h VAL 134 CO 0.00 0.40 -0.71 -0.07 -1.01 0.00 0.00 177.57 176.19 1u05 h LEU 135 N 0.00 0.90 -0.62 3.16 3.38 -1.86 -2.02 115.31 118.26 1u05 h LEU 135 Ca -0.06 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 1u05 h LEU 135 Cb 1.45 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1u05 h LEU 135 CO 0.06 1.37 0.15 -0.33 0.09 0.00 0.00 178.44 179.78 1u05 h GLU 136 N 0.49 0.99 -0.57 1.13 3.07 -1.90 -1.17 114.58 116.62 1u05 h GLU 136 Ca -0.04 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.52 1u05 h GLU 136 Cb 1.34 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 1u05 h GLU 136 CO 0.15 0.90 0.10 0.93 -1.40 0.00 0.00 179.01 179.69 1u05 h GLU 137 N 0.90 0.91 -0.29 2.33 4.39 -1.54 -0.48 114.58 120.80 1u05 h GLU 137 Ca 0.19 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1u05 h GLU 137 Cb 0.35 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1u05 h GLU 137 CO 0.00 0.83 -0.07 1.15 -1.16 0.00 0.00 179.01 179.77 1u05 h THR 138 N 0.86 1.28 -0.42 1.13 2.02 -1.10 -3.08 112.91 113.61 1u05 h THR 138 Ca 0.18 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1u05 h THR 138 Cb 0.36 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1u05 h THR 138 CO 0.01 0.35 0.21 0.58 0.37 0.00 0.00 175.52 177.03 1u05 h VAL 139 N 0.32 1.17 0.00 3.16 2.07 -0.98 -1.85 116.25 120.13 1u05 h VAL 139 Ca 0.07 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1u05 h VAL 139 Cb 0.55 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1u05 h VAL 139 CO 0.03 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.26 1u05 n SER 140 N -4.69 0.04 -0.00 0.57 3.41 -0.21 -0.33 113.62 112.40 1u05 n SER 140 Ca 0.00 -0.56 0.09 0.00 -0.26 0.00 0.00 58.87 58.14 1u05 n SER 140 Cb 0.10 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.92 1u05 n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u05 s PHE 142 N -2.91 3.70 0.11 0.00 0.08 0.55 -4.94 117.98 114.57 1u05 s PHE 142 Ca 0.01 1.59 0.14 0.00 0.12 0.00 0.00 56.93 58.79 1u05 s PHE 142 Cb 0.13 -2.97 0.33 0.00 -0.57 0.00 0.00 43.02 39.94 1u05 s PHE 142 CO 0.74 0.14 1.57 0.00 -0.10 0.00 0.00 175.22 177.56 1u05 h ALA 143 N 6.19 0.81 -2.49 5.36 0.00 -1.92 -3.45 119.26 123.76 1u05 h ALA 143 Ca -0.42 -0.51 -0.46 0.00 0.00 0.00 0.00 54.91 53.52 1u05 h ALA 143 Cb 1.21 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 19.04 1u05 h ALA 143 CO 0.73 0.70 0.30 0.34 0.00 0.00 0.00 179.25 181.32 1u05 s ASP 144 N -6.57 3.52 0.06 0.00 -1.08 -1.26 -5.04 116.67 106.30 1u05 s ASP 144 Ca 0.01 0.95 -0.13 0.00 -0.52 0.00 0.00 52.55 52.86 1u05 s ASP 144 Cb 0.10 -1.52 -0.06 0.00 -1.46 0.00 0.00 42.92 39.98 1u05 s ASP 144 CO 0.74 -2.54 0.44 -0.54 0.52 0.00 0.00 175.17 173.78 1u05 s LYS 145 N -5.29 3.88 0.40 4.34 -0.14 -1.26 -4.97 119.74 116.70 1u05 s LYS 145 Ca 0.64 0.34 0.26 0.00 -1.36 0.00 0.00 55.97 55.85 1u05 s LYS 145 Cb -0.15 -3.08 1.40 0.00 -1.68 0.00 0.00 37.83 34.32 1u05 s LYS 145 CO 0.53 0.60 1.59 -1.35 -0.76 0.00 0.00 175.35 175.96 1u05 h PRO 146 N 4.09 0.04 -0.96 -1.68 0.11 -1.85 0.42 132.00 132.16 1u05 h PRO 146 Ca -0.50 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.82 1u05 h PRO 146 Cb 1.20 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1u05 h PRO 146 CO 0.64 0.02 0.53 1.05 -0.21 0.00 0.00 178.00 180.04 1u05 h GLU 147 N 0.04 0.57 -0.20 1.05 4.11 -1.91 0.25 114.58 118.49 1u05 h GLU 147 Ca 0.85 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.25 1u05 h GLU 147 Cb 2.47 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.59 1u05 h GLU 147 CO -0.60 0.37 0.00 0.09 0.07 0.00 0.00 179.01 178.94 1u05 n ASN 148 N -4.90 1.91 -4.74 3.06 3.02 0.15 -4.74 115.26 109.02 1u05 n ASN 148 Ca 0.24 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.65 1u05 n ASN 148 Cb 0.65 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1u05 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1u05 s ILE 149 N -1.75 5.15 -0.12 2.41 1.01 0.08 -0.51 121.20 127.47 1u05 s ILE 149 Ca 0.33 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 61.84 1u05 s ILE 149 Cb 0.18 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1u05 s ILE 149 CO 0.27 0.38 0.08 -0.76 0.00 0.00 0.00 174.94 174.91 1u05 s LEU 150 N 0.27 4.01 -0.05 2.97 1.43 0.17 -4.25 118.68 123.23 1u05 s LEU 150 Ca 0.25 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1u05 s LEU 150 Cb -0.15 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1u05 s LEU 150 CO 0.11 0.36 -0.07 0.00 0.23 0.00 0.00 176.35 176.98 1u05 s ALA 151 N -0.74 0.84 -0.11 4.21 0.00 -0.83 -2.33 121.76 122.80 1u05 s ALA 151 Ca 0.13 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1u05 s ALA 151 Cb -0.12 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1u05 s ALA 151 CO 0.03 0.05 -0.23 -0.46 0.00 0.00 0.00 175.76 175.15 1u05 s TRP 152 N 0.72 2.60 -0.36 0.00 -0.11 -0.36 0.66 118.94 122.09 1u05 s TRP 152 Ca -0.11 -1.02 -0.15 0.00 1.22 0.00 0.00 56.10 56.03 1u05 s TRP 152 Cb -0.14 -1.73 -0.00 0.00 -1.50 0.00 0.00 33.47 30.09 1u05 s TRP 152 CO 0.01 -0.41 0.35 -0.51 -4.62 0.00 0.00 176.95 171.78 1u05 s LEU 153 N 0.38 4.58 0.86 5.86 1.43 0.49 -1.59 118.68 130.69 1u05 s LEU 153 Ca -0.17 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1u05 s LEU 153 Cb -0.18 -2.31 0.14 0.00 0.03 0.00 0.00 46.19 43.87 1u05 s LEU 153 CO 0.08 -0.38 1.21 -0.83 0.23 0.00 0.00 176.35 176.66 1u05 s GLY 154 N 1.74 1.70 0.14 -3.19 0.00 -0.17 -0.76 107.32 106.78 1u05 s GLY 154 Ca 0.10 -1.01 -0.33 0.00 0.00 0.00 0.00 44.72 43.48 1u05 s GLY 154 CO 0.12 -0.40 1.65 -1.55 0.00 0.00 0.00 173.10 172.91 1u05 n PRO 155 N -3.44 2.28 -4.14 2.90 -0.04 -1.26 -4.42 135.00 126.88 1u05 n PRO 155 Ca 0.12 0.82 -0.11 0.00 -0.04 0.00 0.00 63.50 64.29 1u05 n PRO 155 Cb 0.60 -2.62 -0.09 0.00 -0.04 0.00 0.00 33.50 31.36 1u05 n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u05 s ALA 156 N 1.38 0.78 -0.12 0.55 0.00 -1.26 -4.55 121.76 118.55 1u05 s ALA 156 Ca 0.80 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1u05 s ALA 156 Cb -0.64 1.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1u05 s ALA 156 CO 0.38 -0.67 1.77 -1.50 0.00 0.00 0.00 175.76 175.74 1u05 s ILE 157 N -4.09 3.45 0.87 0.00 2.07 -0.75 -0.97 121.20 121.78 1u05 s ILE 157 Ca 0.34 0.52 -0.15 0.00 -1.41 0.00 0.00 60.65 59.96 1u05 s ILE 157 Cb 0.05 -3.41 0.22 0.00 0.13 0.00 0.00 42.46 39.44 1u05 s ILE 157 CO 0.12 -0.13 0.72 0.61 -1.91 0.00 0.00 174.94 174.34 1u05 n GLY 158 N 4.60 -2.90 0.03 1.50 0.00 -1.26 -4.59 105.19 102.56 1u05 n GLY 158 Ca 0.20 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.86 1u05 n GLY 158 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u05 n PRO 159 N -3.93 0.05 -0.09 1.61 -0.04 -1.25 -1.49 135.00 129.85 1u05 n PRO 159 Ca 0.10 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1u05 n PRO 159 Cb 0.40 -1.59 0.15 0.00 -0.04 0.00 0.00 33.50 32.42 1u05 n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u05 n ARG 160 N -1.67 2.22 0.00 0.54 1.74 -1.26 -4.45 116.66 113.77 1u05 n ARG 160 Ca 0.03 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 1u05 n ARG 160 Cb 0.18 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1u05 n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u05 n ALA 161 N 1.30 0.35 -2.64 7.54 0.00 -1.08 -4.98 120.51 121.01 1u05 n ALA 161 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1u05 n ALA 161 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1u05 n ALA 161 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1u05 s PHE 162 N -0.35 2.73 -0.03 0.00 5.36 -0.56 -4.97 117.98 120.16 1u05 s PHE 162 Ca 0.00 -1.18 -0.19 0.00 -0.96 0.00 0.00 56.93 54.60 1u05 s PHE 162 Cb 0.00 -4.63 -0.05 0.00 -0.34 0.00 0.00 43.02 38.00 1u05 s PHE 162 CO 0.00 -1.81 0.53 -2.00 -1.46 0.00 0.00 175.22 170.47 1u05 s GLU 163 N 4.28 4.24 0.06 10.12 2.12 -1.26 -1.12 118.70 137.14 1u05 s GLU 163 Ca 0.46 0.60 -0.00 0.00 0.36 0.00 0.00 54.97 56.38 1u05 s GLU 163 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1u05 s GLU 163 CO -0.05 0.39 -0.04 0.14 -0.54 0.00 0.00 175.26 175.15 1u05 s VAL 164 N -0.18 0.36 0.90 3.70 -7.23 -0.35 -4.97 120.40 112.63 1u05 s VAL 164 Ca 0.28 -1.83 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1u05 s VAL 164 Cb -0.17 -1.55 0.14 0.00 0.56 0.00 0.00 36.38 35.36 1u05 s VAL 164 CO 0.15 -0.96 1.19 -0.83 -0.31 0.00 0.00 175.10 174.34 1u05 s GLY 165 N -2.93 1.62 0.46 2.32 0.00 -1.26 -1.31 107.32 106.22 1u05 s GLY 165 Ca 0.08 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.22 1u05 s GLY 165 CO -0.08 -0.14 2.02 0.00 0.00 0.00 0.00 173.10 174.90 1u05 h ALA 166 N -1.43 2.05 0.12 3.20 0.00 -1.95 -2.52 119.26 118.72 1u05 h ALA 166 Ca -0.47 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1u05 h ALA 166 Cb 1.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1u05 h ALA 166 CO 0.57 -0.15 -0.24 1.05 0.00 0.00 0.00 179.25 180.49 1u05 h GLU 167 N 0.30 -0.43 0.01 0.00 9.09 -1.97 -0.23 114.58 121.35 1u05 h GLU 167 Ca 0.21 0.03 0.03 0.00 0.05 0.00 0.00 59.36 59.68 1u05 h GLU 167 Cb 0.44 0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 27.58 1u05 h GLU 167 CO -0.05 -0.28 -0.41 0.28 0.05 0.00 0.00 179.01 178.60 1u05 h VAL 168 N -0.44 0.17 -0.37 -1.06 2.07 -1.82 0.41 116.25 115.21 1u05 h VAL 168 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1u05 h VAL 168 Cb 0.46 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1u05 h VAL 168 CO -0.13 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 177.27 1u05 h ARG 169 N -0.57 -0.01 -0.44 1.57 2.43 -1.50 -1.89 114.38 113.96 1u05 h ARG 169 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1u05 h ARG 169 Cb 0.65 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1u05 h ARG 169 CO -0.31 -0.01 0.26 0.93 -1.51 0.00 0.00 179.97 179.34 1u05 h GLU 170 N -0.01 0.61 -0.60 0.20 5.08 -0.36 -1.25 114.58 118.25 1u05 h GLU 170 Ca 0.18 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1u05 h GLU 170 Cb 0.28 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1u05 h GLU 170 CO -0.38 0.46 0.22 0.00 -1.00 0.00 0.00 179.01 178.31 1u05 h ALA 171 N 1.11 0.77 -0.40 3.43 0.00 0.38 0.42 119.26 124.97 1u05 h ALA 171 Ca 0.16 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1u05 h ALA 171 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u05 h ALA 171 CO -0.03 -0.20 -0.03 0.74 0.00 0.00 0.00 179.25 179.73 1u05 h PHE 172 N 0.40 0.80 0.00 0.00 0.04 -1.06 -2.84 116.94 114.29 1u05 h PHE 172 Ca 0.30 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 1u05 h PHE 172 Cb 0.37 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1u05 h PHE 172 CO -0.17 0.83 -0.26 0.52 -0.60 0.00 0.00 178.31 178.62 1u05 h MET 173 N 0.55 0.00 -0.07 1.51 2.86 -0.70 -1.63 114.93 117.45 1u05 h MET 173 Ca 0.11 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1u05 h MET 173 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1u05 h MET 173 CO 0.03 0.26 0.03 0.00 1.06 0.00 0.00 176.91 178.29 1u05 h ALA 174 N 1.74 0.08 -0.17 6.32 0.00 -0.69 -2.14 119.26 124.40 1u05 h ALA 174 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1u05 h ALA 174 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u05 h ALA 174 CO 0.03 -0.44 -0.31 0.28 0.00 0.00 0.00 179.25 178.81 1u05 h VAL 175 N 0.07 1.28 -0.72 0.00 2.07 -1.30 -3.43 116.25 114.22 1u05 h VAL 175 Ca 0.03 -1.33 0.14 0.00 0.82 0.00 0.00 66.70 66.36 1u05 h VAL 175 Cb 0.01 1.49 -0.21 0.00 -1.52 0.00 0.00 31.29 31.07 1u05 h VAL 175 CO -0.03 0.41 -0.14 -0.62 0.02 0.00 0.00 177.57 177.21 1u05 s ASP 176 N -6.85 -1.05 0.56 0.57 3.68 -0.67 -5.03 116.67 107.89 1u05 s ASP 176 Ca -0.06 0.49 0.34 0.00 2.13 0.00 0.00 52.55 55.45 1u05 s ASP 176 Cb 0.14 1.81 1.48 0.00 -1.45 0.00 0.00 42.92 44.90 1u05 s ASP 176 CO 0.78 -0.19 1.79 0.00 0.13 0.00 0.00 175.17 177.67 1u05 h ALA 177 N 7.92 2.89 -0.18 3.66 0.00 -1.64 0.32 119.26 132.23 1u05 h ALA 177 Ca -0.15 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1u05 h ALA 177 Cb 1.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1u05 h ALA 177 CO 0.09 -1.30 0.28 0.87 0.00 0.00 0.00 179.25 179.19 1u05 h LYS 178 N 0.00 0.00 0.00 0.00 1.57 -1.92 -0.69 116.57 115.53 1u05 h LYS 178 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1u05 h LYS 178 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1u05 h LYS 178 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1u05 n ALA 179 N -2.21 1.93 0.11 3.86 0.00 0.11 -2.72 120.51 121.60 1u05 n ALA 179 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1u05 n ALA 179 Cb 0.39 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 18.85 1u05 n ALA 179 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u05 h SER 180 N 0.00 0.09 0.35 0.00 4.64 -1.34 -3.21 113.55 114.09 1u05 h SER 180 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1u05 h SER 180 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1u05 h SER 180 CO 0.00 0.73 -0.15 0.00 -0.87 0.00 0.00 176.83 176.53 1u05 h ALA 181 N 1.27 1.36 -0.01 5.18 0.00 -1.77 -2.68 119.26 122.60 1u05 h ALA 181 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1u05 h ALA 181 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u05 h ALA 181 CO 0.09 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1u05 n ALA 182 N -2.33 2.63 -2.33 0.00 0.00 -1.21 -4.80 120.51 112.47 1u05 n ALA 182 Ca -0.02 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 1u05 n ALA 182 Cb 0.26 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 1u05 n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u05 s PHE 183 N -1.98 2.37 -0.15 0.00 0.08 -1.01 -0.39 117.98 116.90 1u05 s PHE 183 Ca 0.35 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 1u05 s PHE 183 Cb 0.17 -1.51 0.06 0.00 -0.57 0.00 0.00 43.02 41.17 1u05 s PHE 183 CO 0.27 -0.00 0.13 0.42 -0.10 0.00 0.00 175.22 175.94 1u05 s ILE 184 N -0.64 -0.17 0.27 0.64 1.01 -0.58 -4.90 121.20 116.84 1u05 s ILE 184 Ca 0.10 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1u05 s ILE 184 Cb -0.10 -0.49 -0.14 0.00 0.01 0.00 0.00 42.46 41.74 1u05 s ILE 184 CO -0.01 -0.13 1.03 0.00 0.00 0.00 0.00 174.94 175.84 1u05 n GLN 185 N 5.30 1.34 -3.51 2.79 6.02 -1.26 0.34 117.38 128.39 1u05 n GLN 185 Ca -0.06 0.47 -0.24 0.00 -0.01 0.00 0.00 57.00 57.17 1u05 n GLN 185 Cb 0.49 -1.86 -0.14 0.00 1.02 0.00 0.00 30.24 29.76 1u05 n GLN 185 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1u05 s HIS 186 N -0.93 -0.00 0.00 1.08 2.46 0.79 -4.77 115.29 113.92 1u05 s HIS 186 Ca 0.61 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.75 1u05 s HIS 186 Cb -0.72 -0.65 0.00 0.00 -0.13 0.00 0.00 32.58 31.08 1u05 s HIS 186 CO 0.59 -0.74 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 1u05 n GLY 187 N 5.28 3.20 0.85 1.59 0.00 -1.26 -0.52 105.19 114.34 1u05 n GLY 187 Ca -0.05 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1u05 n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u05 n ASP 188 N 2.94 2.35 -1.34 1.61 8.00 -1.26 -4.85 116.55 124.00 1u05 n ASP 188 Ca 0.00 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1u05 n ASP 188 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1u05 n ASP 188 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u05 n LYS 189 N 0.27 0.98 -4.23 -1.24 4.01 0.32 -4.48 118.16 113.79 1u05 n LYS 189 Ca 0.10 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.77 1u05 n LYS 189 Cb 0.48 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.90 1u05 n LYS 189 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1u05 s TYR 190 N -1.44 1.21 -0.26 2.13 1.51 -0.43 -0.15 117.35 119.93 1u05 s TYR 190 Ca 0.00 -1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 54.85 1u05 s TYR 190 Cb 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1u05 s TYR 190 CO 0.00 -0.37 0.02 -0.51 -1.11 0.00 0.00 175.55 173.58 1u05 s LEU 191 N -3.18 3.46 0.06 -1.29 1.43 0.15 -1.22 118.68 118.10 1u05 s LEU 191 Ca 0.30 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1u05 s LEU 191 Cb 0.07 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1u05 s LEU 191 CO 0.07 -0.12 0.29 0.00 0.23 0.00 0.00 176.35 176.82 1u05 s ALA 192 N 1.47 3.86 -0.64 4.21 0.00 -0.28 -1.52 121.76 128.86 1u05 s ALA 192 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1u05 s ALA 192 Cb -0.16 -2.05 0.17 0.00 0.00 0.00 0.00 23.12 21.08 1u05 s ALA 192 CO -0.00 0.69 0.48 0.34 0.00 0.00 0.00 175.76 177.26 1u05 s ASP 193 N -2.07 5.48 0.41 0.00 -1.08 0.48 -3.84 116.67 116.05 1u05 s ASP 193 Ca 0.33 -2.76 0.10 0.00 -0.52 0.00 0.00 52.55 49.71 1u05 s ASP 193 Cb -0.13 -1.91 0.92 0.00 -1.46 0.00 0.00 42.92 40.33 1u05 s ASP 193 CO 0.21 -0.42 1.99 -0.29 0.52 0.00 0.00 175.17 177.17 1u05 h ILE 194 N 5.28 0.96 -0.50 4.11 2.10 -1.87 -0.84 117.51 126.75 1u05 h ILE 194 Ca -0.01 -0.18 -0.08 0.00 1.08 0.00 0.00 64.86 65.67 1u05 h ILE 194 Cb 0.97 0.38 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 1u05 h ILE 194 CO 0.72 0.10 0.02 1.88 -1.08 0.00 0.00 178.15 179.79 1u05 h TYR 195 N 0.54 0.95 -0.43 2.19 0.05 -1.92 -1.21 116.97 117.14 1u05 h TYR 195 Ca 0.27 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1u05 h TYR 195 Cb 0.36 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1u05 h TYR 195 CO -0.00 0.88 0.27 0.37 -1.05 0.00 0.00 178.16 178.63 1u05 h GLN 196 N 0.74 0.58 -0.61 4.88 4.15 -1.61 -0.83 115.11 122.42 1u05 h GLN 196 Ca 0.14 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1u05 h GLN 196 Cb 0.49 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1u05 h GLN 196 CO 0.02 0.42 0.22 -0.07 -1.93 0.00 0.00 178.83 177.50 1u05 h LEU 197 N 0.57 0.82 -0.01 -2.39 3.38 -1.08 -2.11 115.31 114.49 1u05 h LEU 197 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u05 h LEU 197 Cb -0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1u05 h LEU 197 CO -0.03 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1u05 h ALA 198 N 1.37 0.01 -0.76 1.53 0.00 -0.69 -2.44 119.26 118.27 1u05 h ALA 198 Ca 0.20 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1u05 h ALA 198 Cb 0.20 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1u05 h ALA 198 CO -0.02 -0.39 0.39 0.00 0.00 0.00 0.00 179.25 179.23 1u05 h ARG 199 N -0.17 0.62 0.59 0.00 3.08 -0.91 0.34 114.38 117.91 1u05 h ARG 199 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1u05 h ARG 199 Cb 0.19 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1u05 h ARG 199 CO -0.00 0.41 -0.28 1.96 -1.07 0.00 0.00 179.97 180.99 1u05 h GLN 200 N 0.63 -0.76 -0.84 0.04 4.20 -1.27 0.18 115.11 117.29 1u05 h GLN 200 Ca 0.38 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.20 1u05 h GLN 200 Cb 0.44 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1u05 h GLN 200 CO -0.29 -0.50 0.55 0.00 -0.67 0.00 0.00 178.83 177.92 1u05 h ARG 201 N -0.81 0.93 -0.41 1.46 2.47 -1.03 0.75 114.38 117.73 1u05 h ARG 201 Ca -0.08 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 1u05 h ARG 201 Cb 0.61 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1u05 h ARG 201 CO 0.13 0.61 -0.07 -0.07 0.56 0.00 0.00 179.97 181.14 1u05 h LEU 202 N 0.96 0.68 -0.30 3.04 3.38 0.09 -2.90 115.31 120.26 1u05 h LEU 202 Ca 0.36 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1u05 h LEU 202 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u05 h LEU 202 CO -0.12 0.79 -0.72 0.00 0.09 0.00 0.00 178.44 178.49 1u05 h ALA 203 N 1.28 0.46 -0.25 1.53 0.00 0.93 -0.78 119.26 122.43 1u05 h ALA 203 Ca 0.12 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1u05 h ALA 203 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1u05 h ALA 203 CO 0.03 0.71 0.24 -0.91 0.00 0.00 0.00 179.25 179.32 1u05 h ASN 204 N 0.45 0.00 -0.28 0.00 2.35 -0.72 0.61 115.58 118.00 1u05 h ASN 204 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1u05 h ASN 204 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1u05 h ASN 204 CO 0.14 0.00 0.00 0.52 -1.65 0.00 0.00 177.43 176.44 1u05 n VAL 205 N -3.94 0.34 -0.81 2.81 0.31 -1.14 -4.98 118.33 110.93 1u05 n VAL 205 Ca 0.03 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1u05 n VAL 205 Cb 0.38 1.13 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 1u05 n VAL 205 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u05 n GLY 206 N 1.46 0.51 3.52 2.92 0.00 0.21 -4.75 105.19 109.05 1u05 n GLY 206 Ca 0.18 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1u05 n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u05 s VAL 207 N -2.00 4.37 0.30 1.61 1.01 -0.31 -3.68 120.40 121.69 1u05 s VAL 207 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1u05 s VAL 207 Cb 0.00 -4.98 0.09 0.00 0.00 0.00 0.00 36.38 31.49 1u05 s VAL 207 CO 0.00 -1.78 1.76 -0.33 0.00 0.00 0.00 175.10 174.75 1u05 h GLU 208 N 8.66 0.48 -4.51 2.72 5.08 -1.84 -3.41 114.58 121.76 1u05 h GLU 208 Ca 0.26 -0.16 -0.73 0.00 -1.00 0.00 0.00 59.36 57.73 1u05 h GLU 208 Cb 0.96 -0.04 -0.21 0.00 0.50 0.00 0.00 28.75 29.96 1u05 h GLU 208 CO 1.31 0.65 0.33 -0.65 -1.00 0.00 0.00 179.01 179.66 1u05 s GLN 209 N -4.60 3.39 -0.09 2.33 -1.52 -1.26 -5.04 119.66 112.87 1u05 s GLN 209 Ca -0.07 -1.83 0.03 0.00 -1.95 0.00 0.00 55.36 51.54 1u05 s GLN 209 Cb 0.14 -4.52 -0.01 0.00 -0.22 0.00 0.00 33.01 28.40 1u05 s GLN 209 CO 0.78 -1.53 -0.17 0.42 -0.25 0.00 0.00 175.29 174.54 1u05 s ILE 210 N 1.87 2.71 0.29 1.08 1.01 -1.26 -1.95 121.20 124.95 1u05 s ILE 210 Ca 0.20 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.09 1u05 s ILE 210 Cb -0.14 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 1u05 s ILE 210 CO -0.04 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.11 1u05 s PHE 211 N 0.00 1.90 0.00 3.97 0.40 0.21 -4.98 117.98 119.49 1u05 s PHE 211 Ca -0.06 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1u05 s PHE 211 Cb -0.15 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1u05 s PHE 211 CO 0.05 0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.48 1u05 n GLY 212 N -0.61 -0.34 2.46 4.36 0.00 -1.26 -0.38 105.19 109.42 1u05 n GLY 212 Ca -0.04 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1u05 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u05 n GLY 213 N 0.00 0.03 0.21 -0.02 0.00 0.06 -4.78 105.19 100.68 1u05 n GLY 213 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1u05 n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u05 n ASP 214 N -0.63 1.77 -4.95 1.61 3.85 -1.26 -4.98 116.55 111.96 1u05 n ASP 214 Ca -0.06 -1.51 -0.22 0.00 -0.71 0.00 0.00 54.79 52.29 1u05 n ASP 214 Cb 0.56 -0.04 0.01 0.00 -1.35 0.00 0.00 41.12 40.31 1u05 n ASP 214 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1u05 s ARG 215 N -0.62 2.41 -0.27 0.11 1.81 -1.26 -5.13 118.95 116.00 1u05 s ARG 215 Ca 0.07 -1.69 -0.00 0.00 -1.72 0.00 0.00 55.73 52.39 1u05 s ARG 215 Cb 0.04 -2.42 0.15 0.00 -0.45 0.00 0.00 34.95 32.27 1u05 s ARG 215 CO 0.06 -0.56 0.41 0.00 -0.68 0.00 0.00 175.30 174.53 1u05 h THR 217 N 6.16 0.79 0.38 0.00 1.35 -1.35 -2.02 112.91 118.22 1u05 h THR 217 Ca -0.14 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 1u05 h THR 217 Cb 1.14 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1u05 h THR 217 CO 0.27 0.12 -0.18 0.22 -0.25 0.00 0.00 175.52 175.70 1u05 h TYR 218 N 0.67 -0.47 0.45 4.73 3.20 -1.85 -3.36 116.97 120.33 1u05 h TYR 218 Ca 0.43 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 1u05 h TYR 218 Cb 0.54 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1u05 h TYR 218 CO -0.09 -0.16 -0.25 1.15 -1.64 0.00 0.00 178.16 177.18 1u05 h THR 219 N -0.81 0.49 0.00 1.81 2.02 -1.92 -3.25 112.91 111.24 1u05 h THR 219 Ca -0.05 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.59 1u05 h THR 219 Cb 0.53 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1u05 h THR 219 CO 0.09 0.00 2.74 -0.62 0.37 0.00 0.00 175.52 178.09 1u05 n GLU 220 N -5.38 3.22 0.19 6.66 1.02 -0.77 -4.71 120.64 120.86 1u05 n GLU 220 Ca -0.11 -1.87 0.08 0.00 -0.02 0.00 0.00 57.16 55.24 1u05 n GLU 220 Cb 0.29 -2.58 0.44 0.00 -0.02 0.00 0.00 31.44 29.56 1u05 n GLU 220 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1u05 h ASN 221 N 4.52 0.00 0.25 1.62 7.08 -1.72 0.13 115.58 127.47 1u05 h ASN 221 Ca 0.69 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.91 1u05 h ASN 221 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 1u05 h ASN 221 CO 1.38 0.00 -0.20 -1.84 -2.08 0.00 0.00 177.43 174.69 1u05 n GLU 222 N -2.18 0.86 0.00 4.14 0.00 -1.26 -4.21 120.64 117.98 1u05 n GLU 222 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 57.16 56.69 1u05 n GLU 222 Cb 0.30 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.25 1u05 n GLU 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1u05 n THR 223 N -0.67 0.00 -4.26 3.84 -1.04 0.41 -4.81 114.28 107.75 1u05 n THR 223 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.97 1u05 n THR 223 Cb 0.33 -0.71 -0.11 0.00 -1.82 0.00 0.00 70.33 68.02 1u05 n THR 223 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1u05 s PHE 224 N -1.93 1.43 0.28 -1.42 0.08 -0.95 -1.31 117.98 114.16 1u05 s PHE 224 Ca 0.00 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 1u05 s PHE 224 Cb 0.00 -0.73 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 1u05 s PHE 224 CO 0.00 0.16 0.73 -0.06 -0.10 0.00 0.00 175.22 175.95 1u05 s PHE 225 N -2.42 3.50 -0.06 0.36 0.08 -1.26 -4.57 117.98 113.60 1u05 s PHE 225 Ca 0.12 1.29 -0.01 0.00 0.12 0.00 0.00 56.93 58.45 1u05 s PHE 225 Cb -0.03 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1u05 s PHE 225 CO 0.03 0.20 -0.01 0.45 -0.10 0.00 0.00 175.22 175.80 1u05 s SER 226 N -2.00 1.30 0.14 1.36 0.15 -1.26 -4.44 113.70 108.96 1u05 s SER 226 Ca 0.49 -0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 1u05 s SER 226 Cb -0.13 -0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 1u05 s SER 226 CO 0.19 -0.16 1.39 0.22 1.20 0.00 0.00 173.24 176.08 1u05 h TYR 227 N 7.98 0.91 -0.43 3.44 3.20 -1.35 0.89 116.97 131.61 1u05 h TYR 227 Ca -0.26 -0.37 -0.07 0.00 3.14 0.00 0.00 58.73 61.17 1u05 h TYR 227 Cb 1.13 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1u05 h TYR 227 CO 0.49 1.17 -0.02 -0.09 -1.64 0.00 0.00 178.16 178.07 1u05 h ARG 228 N 0.50 0.78 0.47 1.82 9.65 -1.94 -3.33 114.38 122.33 1u05 h ARG 228 Ca -0.02 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.58 1u05 h ARG 228 Cb 1.28 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1u05 h ARG 228 CO 0.14 0.86 -0.23 -0.09 2.80 0.00 0.00 179.97 183.44 1u05 h ARG 229 N 0.61 -0.61 -5.74 0.20 2.43 -1.93 -3.44 114.38 105.90 1u05 h ARG 229 Ca 0.12 0.04 -0.65 0.00 -0.81 0.00 0.00 59.98 58.68 1u05 h ARG 229 Cb 0.52 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 1u05 h ARG 229 CO 0.03 -0.41 -0.48 -0.51 -1.51 0.00 0.00 179.97 177.08 1u05 s ASP 230 N -4.39 6.38 -0.09 -3.80 1.01 0.30 -5.01 116.67 111.07 1u05 s ASP 230 Ca -0.09 0.40 -0.19 0.00 0.71 0.00 0.00 52.55 53.38 1u05 s ASP 230 Cb 0.01 -2.03 -0.28 0.00 1.01 0.00 0.00 42.92 41.63 1u05 s ASP 230 CO 0.28 0.32 0.66 0.50 0.21 0.00 0.00 175.17 177.14 1u05 h LYS 231 N 4.28 0.23 -5.03 8.23 3.64 -1.81 -3.35 116.57 122.75 1u05 h LYS 231 Ca -0.51 -0.40 -0.65 0.00 -1.27 0.00 0.00 60.65 57.83 1u05 h LYS 231 Cb 1.20 0.15 -0.22 0.00 -0.41 0.00 0.00 32.23 32.95 1u05 h LYS 231 CO 0.65 1.19 -0.64 0.99 -2.27 0.00 0.00 179.45 179.37 1u05 s THR 232 N -2.44 4.18 0.28 1.00 2.01 -1.26 -4.93 115.64 114.48 1u05 s THR 232 Ca -0.18 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 1u05 s THR 232 Cb 0.03 -2.93 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1u05 s THR 232 CO 0.77 0.38 0.91 0.28 -0.69 0.00 0.00 174.62 176.27 1u05 s THR 233 N 1.31 0.00 0.00 -0.82 -1.32 -1.26 -4.75 115.64 108.80 1u05 s THR 233 Ca 0.05 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1u05 s THR 233 Cb -0.15 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1u05 s THR 233 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1u05 n GLY 234 N -0.60 -1.14 3.19 6.08 0.00 -1.24 -4.90 105.19 106.57 1u05 n GLY 234 Ca -0.06 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1u05 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u05 s ARG 235 N -0.26 0.39 0.57 1.61 1.81 -1.26 -4.82 118.95 116.99 1u05 s ARG 235 Ca 0.00 0.32 0.09 0.00 -1.72 0.00 0.00 55.73 54.42 1u05 s ARG 235 Cb 0.00 0.19 0.08 0.00 -0.45 0.00 0.00 34.95 34.77 1u05 s ARG 235 CO 0.00 -0.06 0.73 -1.64 -0.68 0.00 0.00 175.30 173.65 1u05 s MET 236 N -0.06 2.28 0.08 3.54 -1.94 0.30 -1.48 119.30 122.02 1u05 s MET 236 Ca -0.02 -1.72 -0.20 0.00 -1.71 0.00 0.00 55.69 52.04 1u05 s MET 236 Cb -0.03 -2.55 0.05 0.00 2.01 0.00 0.00 34.83 34.31 1u05 s MET 236 CO 0.01 -0.83 0.47 0.00 -0.01 0.00 0.00 175.02 174.66 1u05 s ALA 237 N -2.69 -1.18 -0.06 3.03 0.00 -1.26 -0.77 121.76 118.82 1u05 s ALA 237 Ca 0.57 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1u05 s ALA 237 Cb -0.05 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1u05 s ALA 237 CO 0.36 -0.55 -0.24 -1.12 0.00 0.00 0.00 175.76 174.20 1u05 s SER 238 N -2.26 3.13 0.02 0.00 0.01 -0.64 -0.67 113.70 113.28 1u05 s SER 238 Ca -0.03 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.79 1u05 s SER 238 Cb -0.00 -0.92 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 1u05 s SER 238 CO -0.06 0.24 -0.18 -0.36 0.41 0.00 0.00 173.24 173.29 1u05 s PHE 239 N -0.11 1.58 0.00 2.43 0.08 0.29 -2.15 117.98 120.11 1u05 s PHE 239 Ca -0.05 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 56.57 1u05 s PHE 239 Cb -0.14 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1u05 s PHE 239 CO 0.04 0.03 0.18 -1.50 -0.10 0.00 0.00 175.22 173.87 1u05 s ILE 240 N -0.62 0.08 -0.06 0.64 2.07 -0.65 -0.56 121.20 122.09 1u05 s ILE 240 Ca 0.06 -0.67 -0.31 0.00 -1.41 0.00 0.00 60.65 58.32 1u05 s ILE 240 Cb -0.08 -0.53 0.11 0.00 0.13 0.00 0.00 42.46 42.09 1u05 s ILE 240 CO 0.01 -0.37 1.04 -1.66 -1.91 0.00 0.00 174.94 172.04 1u05 s TRP 241 N -1.52 -0.23 -0.11 3.50 -2.14 -0.52 -0.92 118.94 117.00 1u05 s TRP 241 Ca -0.13 0.12 -0.18 0.00 2.66 0.00 0.00 56.10 58.57 1u05 s TRP 241 Cb -0.06 0.54 -0.04 0.00 -3.10 0.00 0.00 33.47 30.80 1u05 s TRP 241 CO 0.02 -0.42 0.46 -0.51 -2.66 0.00 0.00 176.95 173.83 1u05 s LEU 242 N -2.44 4.30 0.00 -4.66 1.43 -1.26 -1.53 118.68 114.52 1u05 s LEU 242 Ca 0.08 0.81 0.15 0.00 -1.03 0.00 0.00 54.13 54.13 1u05 s LEU 242 Cb -0.01 -2.66 0.88 0.00 0.03 0.00 0.00 46.19 44.43 1u05 s LEU 242 CO -0.06 0.04 1.29 -0.38 0.23 0.00 0.00 176.35 177.47