#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk n SER 2 N 0.00 0.08 -1.46 1.61 3.41 -1.26 -5.16 113.62 110.84 1ugk n SER 2 Ca 0.00 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 1ugk n SER 2 Cb 0.00 0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1ugk n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ugk n SER 3 N -3.14 -7.65 0.00 4.04 7.64 -1.26 -5.07 113.62 108.18 1ugk n SER 3 Ca 0.00 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1ugk n SER 3 Cb 0.05 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 1ugk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugk n GLY 4 N -3.86 2.26 3.42 0.23 0.00 -1.26 -5.13 105.19 100.84 1ugk n GLY 4 Ca -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1ugk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugk s SER 5 N 0.00 -0.49 -1.41 1.61 0.15 -1.26 -5.06 113.70 107.25 1ugk s SER 5 Ca 0.00 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.24 1ugk s SER 5 Cb 0.00 1.51 0.07 0.00 -1.71 0.00 0.00 66.02 65.89 1ugk s SER 5 CO 0.00 -0.10 2.31 -1.20 1.20 0.00 0.00 173.24 175.45 1ugk n SER 6 N 4.69 6.28 -0.05 5.45 7.64 -1.26 -4.83 113.62 131.55 1ugk n SER 6 Ca -0.10 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1ugk n SER 6 Cb 0.54 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1ugk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugk n GLY 7 N 3.01 -3.02 0.00 0.23 0.00 -1.26 -4.98 105.19 99.17 1ugk n GLY 7 Ca 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1ugk n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugk n LEU 8 N -1.03 0.00 0.00 0.99 7.99 -1.23 -4.97 117.00 118.75 1ugk n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ugk n LEU 8 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ugk n LEU 8 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1ugk n GLY 9 N 1.44 2.18 3.69 -0.72 0.00 0.22 -4.22 105.19 107.77 1ugk n GLY 9 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1ugk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugk s THR 10 N -2.76 1.76 -0.05 2.61 2.01 0.32 -0.18 115.64 119.36 1ugk s THR 10 Ca 0.00 -1.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.04 1ugk s THR 10 Cb 0.00 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1ugk s THR 10 CO 0.00 0.00 0.08 -0.22 -0.69 0.00 0.00 174.62 173.79 1ugk s LEU 11 N -3.81 0.41 -0.07 4.42 1.98 0.22 -2.71 118.68 119.12 1ugk s LEU 11 Ca 0.27 0.15 -0.00 0.00 -2.89 0.00 0.00 54.13 51.65 1ugk s LEU 11 Cb 0.06 0.03 -0.03 0.00 0.66 0.00 0.00 46.19 46.91 1ugk s LEU 11 CO 0.14 -0.20 -0.03 -0.36 -1.89 0.00 0.00 176.35 174.00 1ugk s PHE 12 N 1.78 3.05 0.15 5.38 0.08 -0.86 -1.15 117.98 126.41 1ugk s PHE 12 Ca -0.01 0.10 -0.24 0.00 0.12 0.00 0.00 56.93 56.90 1ugk s PHE 12 Cb -0.12 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1ugk s PHE 12 CO -0.04 0.41 0.80 -0.59 -0.10 0.00 0.00 175.22 175.69 1ugk s PHE 13 N -0.87 -0.30 -0.03 0.36 -0.71 -0.55 -1.67 117.98 114.21 1ugk s PHE 13 Ca 0.13 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.04 1ugk s PHE 13 Cb -0.11 0.61 0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1ugk s PHE 13 CO 0.03 -0.87 0.02 -1.54 -1.34 0.00 0.00 175.22 171.51 1ugk s SER 14 N -2.78 0.30 0.14 1.98 1.04 -0.99 -0.50 113.70 112.88 1ugk s SER 14 Ca 0.07 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1ugk s SER 14 Cb -0.02 -0.14 -0.06 0.00 0.10 0.00 0.00 66.02 65.89 1ugk s SER 14 CO -0.03 -0.12 0.49 -0.76 0.98 0.00 0.00 173.24 173.79 1ugk s LEU 15 N 1.12 4.30 -0.25 2.42 1.43 -0.59 -1.82 118.68 125.30 1ugk s LEU 15 Ca -0.08 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1ugk s LEU 15 Cb -0.13 -3.26 0.09 0.00 0.03 0.00 0.00 46.19 42.92 1ugk s LEU 15 CO -0.02 0.09 0.58 -0.70 0.23 0.00 0.00 176.35 176.52 1ugk s GLU 16 N -2.17 0.55 -0.21 1.70 2.12 0.70 -1.62 118.70 119.77 1ugk s GLU 16 Ca 0.38 1.16 -0.08 0.00 0.36 0.00 0.00 54.97 56.79 1ugk s GLU 16 Cb -0.14 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 1ugk s GLU 16 CO 0.20 -0.18 0.09 -0.47 -0.54 0.00 0.00 175.26 174.35 1ugk s TYR 17 N 2.03 3.22 -0.60 5.30 5.04 -1.26 0.20 117.35 131.28 1ugk s TYR 17 Ca -0.08 -0.00 -0.26 0.00 -2.44 0.00 0.00 57.07 54.29 1ugk s TYR 17 Cb -0.08 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 1ugk s TYR 17 CO -0.17 0.02 1.91 1.21 -1.34 0.00 0.00 175.55 177.18 1ugk s ASN 18 N 0.81 5.20 0.18 4.32 3.84 0.53 -4.80 114.94 125.02 1ugk s ASN 18 Ca 0.05 0.41 -0.02 0.00 0.21 0.00 0.00 52.86 53.50 1ugk s ASN 18 Cb -0.13 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.10 1ugk s ASN 18 CO 0.02 -2.42 1.43 -0.26 -2.79 0.00 0.00 177.10 173.08 1ugk h PHE 19 N 15.37 0.56 -0.85 0.43 -1.00 -1.94 2.05 116.94 131.57 1ugk h PHE 19 Ca -0.26 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.27 1ugk h PHE 19 Cb 1.17 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 1ugk h PHE 19 CO 1.04 1.00 0.51 1.49 -1.61 0.00 0.00 178.31 180.74 1ugk h GLU 20 N 0.29 1.15 -0.11 1.51 4.81 -1.96 -2.77 114.58 117.50 1ugk h GLU 20 Ca -0.03 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ugk h GLU 20 Cb 1.30 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1ugk h GLU 20 CO 0.12 0.81 -0.01 0.54 -0.73 0.00 0.00 179.01 179.74 1ugk n ARG 21 N -4.43 1.93 -3.49 1.92 1.74 -1.19 -5.01 116.66 108.13 1ugk n ARG 21 Ca 0.09 -2.71 -0.21 0.00 -0.77 0.00 0.00 57.85 54.25 1ugk n ARG 21 Cb 0.06 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1ugk n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugk n LYS 22 N -1.07 -1.26 -4.31 5.56 4.76 0.57 -4.87 118.16 117.53 1ugk n LYS 22 Ca 0.18 0.64 -0.19 0.00 -2.87 0.00 0.00 58.31 56.08 1ugk n LYS 22 Cb 0.75 -1.74 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugk s ALA 23 N -2.62 1.90 -0.06 7.82 0.00 0.54 -4.45 121.76 124.90 1ugk s ALA 23 Ca 0.03 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.19 1ugk s ALA 23 Cb -0.00 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 24.40 1ugk s ALA 23 CO 0.71 -0.58 -0.20 0.12 0.00 0.00 0.00 175.76 175.82 1ugk s PHE 24 N -3.57 2.57 -0.11 0.00 5.36 -0.84 0.20 117.98 121.60 1ugk s PHE 24 Ca 0.37 -0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1ugk s PHE 24 Cb 0.04 -1.63 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 1ugk s PHE 24 CO 0.21 -0.04 -0.08 0.08 -1.46 0.00 0.00 175.22 173.93 1ugk s VAL 25 N -0.36 1.04 -0.49 3.12 1.01 0.54 -1.60 120.40 123.66 1ugk s VAL 25 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1ugk s VAL 25 Cb -0.12 -1.05 0.13 0.00 0.00 0.00 0.00 36.38 35.34 1ugk s VAL 25 CO 0.02 0.37 0.30 -0.69 0.00 0.00 0.00 175.10 175.10 1ugk s VAL 26 N 1.62 3.53 0.11 2.92 1.01 -1.00 -0.22 120.40 128.37 1ugk s VAL 26 Ca 0.03 -2.35 -0.28 0.00 0.00 0.00 0.00 61.98 59.38 1ugk s VAL 26 Cb -0.13 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1ugk s VAL 26 CO -0.07 -0.77 0.88 0.21 0.00 0.00 0.00 175.10 175.35 1ugk s ASN 27 N 1.51 7.41 -0.41 3.32 3.84 -0.76 -3.52 114.94 126.35 1ugk s ASN 27 Ca 0.11 1.69 -0.04 0.00 0.21 0.00 0.00 52.86 54.82 1ugk s ASN 27 Cb -0.22 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.03 1ugk s ASN 27 CO -0.04 0.00 0.21 -0.63 -2.79 0.00 0.00 177.10 173.85 1ugk s ILE 28 N -0.22 3.51 0.00 -5.21 1.01 -0.46 -2.35 121.20 117.48 1ugk s ILE 28 Ca 0.43 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1ugk s ILE 28 Cb -0.23 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1ugk s ILE 28 CO 0.28 -0.61 0.00 1.17 0.00 0.00 0.00 174.94 175.78 1ugk n LYS 29 N 4.68 1.51 -4.12 2.79 3.00 -0.67 0.12 118.16 125.47 1ugk n LYS 29 Ca -0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.01 1ugk n LYS 29 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.38 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ugk s GLU 30 N 0.00 2.24 -0.07 1.64 -1.05 -1.23 -1.32 118.70 118.91 1ugk s GLU 30 Ca 0.00 -1.79 0.03 0.00 -0.15 0.00 0.00 54.97 53.07 1ugk s GLU 30 Cb 0.00 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1ugk s GLU 30 CO 0.00 -0.07 -0.18 0.00 0.95 0.00 0.00 175.26 175.97 1ugk s ALA 31 N -2.57 1.64 -0.06 -0.84 0.00 -0.56 -2.03 121.76 117.35 1ugk s ALA 31 Ca 0.40 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1ugk s ALA 31 Cb 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1ugk s ALA 31 CO 0.23 0.22 -0.18 1.03 0.00 0.00 0.00 175.76 177.06 1ugk s ARG 32 N 0.37 2.13 0.00 0.00 1.81 -1.10 -3.20 118.95 118.95 1ugk s ARG 32 Ca -0.13 -0.64 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 1ugk s ARG 32 Cb -0.15 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.61 1ugk s ARG 32 CO 0.05 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.25 1ugk n GLY 33 N 3.42 0.75 3.34 -3.53 0.00 -1.26 0.12 105.19 108.03 1ugk n GLY 33 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1ugk n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugk s LEU 34 N 0.00 3.48 0.07 0.99 1.43 -1.24 -0.61 118.68 122.80 1ugk s LEU 34 Ca 0.00 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1ugk s LEU 34 Cb 0.00 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1ugk s LEU 34 CO 0.00 -0.11 1.16 -2.16 0.23 0.00 0.00 176.35 175.47 1ugk s PRO 35 N 1.50 4.46 0.41 1.29 0.04 -1.26 -4.74 135.00 136.71 1ugk s PRO 35 Ca 0.04 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1ugk s PRO 35 Cb -0.16 -3.35 -0.13 0.00 0.04 0.00 0.00 34.50 30.89 1ugk s PRO 35 CO 0.01 -0.20 -0.05 0.00 0.04 0.00 0.00 177.00 176.80 1ugk n ALA 36 N 3.75 -2.85 -0.02 8.56 0.00 -1.26 -4.92 120.51 123.78 1ugk n ALA 36 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1ugk n ALA 36 Cb 0.47 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1ugk n ALA 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugk n MET 37 N 1.27 0.08 -3.57 0.00 2.81 -1.26 -5.04 117.12 111.41 1ugk n MET 37 Ca 0.08 0.02 -0.19 0.00 -1.81 0.00 0.00 57.70 55.80 1ugk n MET 37 Cb 0.39 -1.03 -0.01 0.00 -0.71 0.00 0.00 33.22 31.87 1ugk n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ugk s ASP 38 N -4.40 6.05 -0.75 7.83 1.01 -1.25 -5.05 116.67 120.12 1ugk s ASP 38 Ca -0.04 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.13 1ugk s ASP 38 Cb 0.01 -1.38 0.29 0.00 1.01 0.00 0.00 42.92 42.86 1ugk s ASP 38 CO 0.07 -0.35 1.05 -0.62 0.21 0.00 0.00 175.17 175.53 1ugk n GLU 39 N -1.60 3.39 0.01 8.23 -0.58 -1.26 -4.43 120.64 124.40 1ugk n GLU 39 Ca -0.02 -4.71 -0.01 0.00 -0.42 0.00 0.00 57.16 52.00 1ugk n GLU 39 Cb 0.58 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ugk n GLN 40 N 0.55 0.08 -2.68 3.49 6.02 -1.26 -4.93 117.38 118.64 1ugk n GLN 40 Ca 0.31 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 57.26 1ugk n GLN 40 Cb 0.37 -0.47 0.04 0.00 1.02 0.00 0.00 30.24 31.21 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ugk n SER 41 N -3.20 1.12 -4.01 1.08 2.88 -1.26 -4.97 113.62 105.26 1ugk n SER 41 Ca -0.02 -2.61 -0.27 0.00 -1.33 0.00 0.00 58.87 54.64 1ugk n SER 41 Cb 0.07 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ugk n MET 42 N -0.18 -3.13 -3.85 -1.46 1.56 -1.26 -4.93 117.12 103.87 1ugk n MET 42 Ca 0.07 0.38 -0.08 0.00 -0.27 0.00 0.00 57.70 57.80 1ugk n MET 42 Cb 0.82 -4.52 0.00 0.00 2.15 0.00 0.00 33.22 31.67 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N -3.92 0.00 0.22 1.12 -1.32 -1.26 -4.91 115.64 105.57 1ugk s THR 43 Ca 0.08 -1.05 -0.22 0.00 -1.21 0.00 0.00 61.69 59.30 1ugk s THR 43 Cb -0.04 -2.54 0.07 0.00 -1.51 0.00 0.00 72.50 68.47 1ugk s THR 43 CO 0.90 0.00 0.96 -0.94 -2.21 0.00 0.00 174.62 173.33 1ugk s SER 44 N -3.03 -0.05 -0.73 8.08 1.04 -1.26 -3.87 113.70 113.88 1ugk s SER 44 Ca 0.15 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1ugk s SER 44 Cb -0.05 0.58 0.22 0.00 0.10 0.00 0.00 66.02 66.86 1ugk s SER 44 CO 0.10 -1.12 0.70 0.47 0.98 0.00 0.00 173.24 174.36 1ugk n ASP 45 N -1.04 3.70 -4.82 7.02 9.92 -1.26 -1.63 116.55 128.44 1ugk n ASP 45 Ca -0.05 -3.30 -0.31 0.00 -0.53 0.00 0.00 54.79 50.59 1ugk n ASP 45 Cb 0.60 -0.80 0.04 0.00 -0.64 0.00 0.00 41.12 40.32 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ugk s PRO 46 N -1.93 3.00 -0.26 -0.24 0.04 -1.26 -2.17 135.00 132.18 1ugk s PRO 46 Ca 0.31 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1ugk s PRO 46 Cb 0.03 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1ugk s PRO 46 CO -0.09 -1.05 0.68 1.52 0.04 0.00 0.00 177.00 178.10 1ugk s TYR 47 N -2.97 -0.77 0.14 0.56 -0.85 -1.20 -3.72 117.35 108.54 1ugk s TYR 47 Ca 0.59 1.84 -0.11 0.00 -0.52 0.00 0.00 57.07 58.86 1ugk s TYR 47 Cb -0.14 0.29 -0.06 0.00 0.38 0.00 0.00 41.96 42.42 1ugk s TYR 47 CO 0.52 -0.37 0.49 0.42 -1.52 0.00 0.00 175.55 175.09 1ugk s ILE 48 N 0.49 4.98 -0.18 -3.49 1.01 -1.26 -2.86 121.20 119.88 1ugk s ILE 48 Ca -0.01 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.16 1ugk s ILE 48 Cb -0.05 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1ugk s ILE 48 CO -0.01 0.17 -0.02 -0.54 0.00 0.00 0.00 174.94 174.54 1ugk s LYS 49 N -2.18 3.62 -0.16 2.79 1.02 -0.87 -1.97 119.74 121.98 1ugk s LYS 49 Ca 0.38 -0.53 -0.07 0.00 0.02 0.00 0.00 55.97 55.77 1ugk s LYS 49 Cb -0.14 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1ugk s LYS 49 CO 0.20 0.11 0.09 1.41 -0.92 0.00 0.00 175.35 176.23 1ugk s MET 50 N 0.73 3.81 0.01 1.68 1.75 0.51 -2.57 119.30 125.22 1ugk s MET 50 Ca -0.01 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 1ugk s MET 50 Cb -0.14 -3.22 -0.01 0.00 2.84 0.00 0.00 34.83 34.30 1ugk s MET 50 CO 0.02 0.44 -0.02 0.99 -0.65 0.00 0.00 175.02 175.80 1ugk s THR 51 N -0.07 0.11 -0.66 10.11 2.01 -1.22 -0.11 115.64 125.81 1ugk s THR 51 Ca 0.08 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 1ugk s THR 51 Cb -0.12 -0.16 0.15 0.00 0.01 0.00 0.00 72.50 72.39 1ugk s THR 51 CO 0.01 -0.16 0.65 -0.63 -0.69 0.00 0.00 174.62 173.80 1ugk s ILE 52 N -0.53 5.25 0.43 1.82 1.01 -0.76 -2.38 121.20 126.05 1ugk s ILE 52 Ca -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 60.65 58.83 1ugk s ILE 52 Cb -0.04 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1ugk s ILE 52 CO -0.00 -1.00 0.70 -0.76 0.00 0.00 0.00 174.94 173.89 1ugk s LEU 53 N 1.36 3.76 0.10 2.97 1.43 0.56 0.31 118.68 129.18 1ugk s LEU 53 Ca 0.11 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1ugk s LEU 53 Cb -0.21 -3.69 -0.17 0.00 0.03 0.00 0.00 46.19 42.15 1ugk s LEU 53 CO -0.01 -0.48 1.26 1.55 0.23 0.00 0.00 176.35 178.90 1ugk h PRO 54 N 0.42 0.67 -0.08 1.29 0.13 -1.81 0.72 132.00 133.34 1ugk h PRO 54 Ca -0.48 -0.65 0.02 0.00 -0.87 0.00 0.00 66.00 64.02 1ugk h PRO 54 Cb 1.21 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1ugk h PRO 54 CO 0.62 1.25 -0.03 -0.85 -0.23 0.00 0.00 178.00 178.76 1ugk n GLU 55 N -3.86 -0.01 -1.15 0.86 0.28 -1.23 -4.57 120.64 110.96 1ugk n GLU 55 Ca -0.09 0.13 -0.05 0.00 -0.16 0.00 0.00 57.16 56.99 1ugk n GLU 55 Cb 0.82 -0.20 -0.02 0.00 1.43 0.00 0.00 31.44 33.47 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ugk n LYS 56 N -4.13 -1.63 0.10 3.44 4.81 0.93 -4.85 118.16 116.84 1ugk n LYS 56 Ca 0.01 0.64 -0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1ugk n LYS 56 Cb 0.04 -4.95 -0.02 0.00 0.02 0.00 0.00 35.03 30.12 1ugk n LYS 56 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ugk h LYS 57 N 0.09 -0.28 -5.58 1.64 1.63 -1.80 -3.40 116.57 108.86 1ugk h LYS 57 Ca -0.11 0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.44 1ugk h LYS 57 Cb 0.97 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 1ugk h LYS 57 CO 0.16 -0.19 0.88 -1.01 -3.45 0.00 0.00 179.45 175.84 1ugk s HIS 58 N -2.62 1.27 -0.17 1.91 3.76 -1.26 -4.91 115.29 113.27 1ugk s HIS 58 Ca -0.04 1.50 -0.06 0.00 -0.15 0.00 0.00 55.06 56.31 1ugk s HIS 58 Cb 0.00 -3.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 1ugk s HIS 58 CO 0.13 -2.04 0.02 0.21 -0.85 0.00 0.00 174.74 172.21 1ugk s LYS 59 N 8.17 3.85 -0.01 1.40 2.20 -1.26 -1.83 119.74 132.26 1ugk s LYS 59 Ca 0.88 -0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 1ugk s LYS 59 Cb -0.13 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1ugk s LYS 59 CO 0.15 0.25 0.24 0.14 -0.36 0.00 0.00 175.35 175.77 1ugk s VAL 60 N 0.38 0.07 0.17 4.02 -7.23 0.85 -5.02 120.40 113.64 1ugk s VAL 60 Ca 0.00 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 1ugk s VAL 60 Cb -0.13 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 1ugk s VAL 60 CO 0.01 -0.31 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.82 1ugk s LYS 61 N -1.33 1.14 0.07 4.82 -2.85 -1.26 0.19 119.74 120.52 1ugk s LYS 61 Ca -0.14 -1.51 -0.05 0.00 -1.00 0.00 0.00 55.97 53.27 1ugk s LYS 61 Cb -0.06 -0.65 -0.05 0.00 -2.06 0.00 0.00 37.83 35.01 1ugk s LYS 61 CO 0.03 0.04 0.31 0.95 0.10 0.00 0.00 175.35 176.78 1ugk s THR 62 N -3.33 5.24 0.14 3.79 -4.23 -0.83 -4.92 115.64 111.51 1ugk s THR 62 Ca 0.20 0.07 -0.32 0.00 -1.18 0.00 0.00 61.69 60.46 1ugk s THR 62 Cb 0.03 -3.60 -0.11 0.00 1.34 0.00 0.00 72.50 70.15 1ugk s THR 62 CO 0.03 0.21 1.81 -2.11 -0.54 0.00 0.00 174.62 174.01 1ugk n ARG 63 N 0.61 2.77 -2.46 3.99 1.85 -1.26 -4.59 116.66 117.56 1ugk n ARG 63 Ca -0.07 1.01 -0.42 0.00 -1.00 0.00 0.00 57.85 57.37 1ugk n ARG 63 Cb 0.52 -2.89 -0.03 0.00 -1.05 0.00 0.00 32.46 29.01 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ugk s VAL 64 N 2.33 3.96 0.78 8.89 -7.23 -1.26 -4.78 120.40 123.09 1ugk s VAL 64 Ca 0.80 1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 62.38 1ugk s VAL 64 Cb -0.49 -3.98 0.06 0.00 0.56 0.00 0.00 36.38 32.53 1ugk s VAL 64 CO 0.36 0.19 1.14 -0.76 -0.31 0.00 0.00 175.10 175.71 1ugk s LEU 65 N 0.37 2.59 -0.24 1.32 2.01 -1.24 -4.99 118.68 118.50 1ugk s LEU 65 Ca 0.54 0.99 -0.05 0.00 0.01 0.00 0.00 54.13 55.62 1ugk s LEU 65 Cb -0.29 -3.59 -0.01 0.00 0.01 0.00 0.00 46.19 42.31 1ugk s LEU 65 CO 0.32 -1.79 0.01 -0.13 1.01 0.00 0.00 176.35 175.77 1ugk s ARG 66 N -5.41 3.46 -0.40 1.70 1.81 -1.26 -4.16 118.95 114.68 1ugk s ARG 66 Ca 0.61 -0.59 -0.23 0.00 -1.72 0.00 0.00 55.73 53.80 1ugk s ARG 66 Cb -0.12 -3.16 0.03 0.00 -0.45 0.00 0.00 34.95 31.26 1ugk s ARG 66 CO 0.51 -0.21 0.54 1.63 -0.68 0.00 0.00 175.30 177.09 1ugk n LYS 67 N 4.85 -2.15 -3.32 3.54 5.02 -1.22 -5.01 118.16 119.86 1ugk n LYS 67 Ca -0.17 1.81 0.03 0.00 -2.02 0.00 0.00 58.31 57.96 1ugk n LYS 67 Cb 0.51 -3.89 -0.04 0.00 -0.02 0.00 0.00 35.03 31.58 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -1.97 -0.19 -0.15 -0.18 -1.32 -0.65 -4.87 115.64 106.31 1ugk s THR 68 Ca 0.27 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1ugk s THR 68 Cb -0.05 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.15 1ugk s THR 68 CO 0.76 0.00 1.63 -0.07 -2.21 0.00 0.00 174.62 174.73 1ugk h LEU 69 N 6.96 0.00 -7.31 9.08 -0.00 -1.85 -3.38 115.31 118.81 1ugk h LEU 69 Ca -0.16 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.07 1ugk h LEU 69 Cb 1.13 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.39 1ugk h LEU 69 CO 0.09 0.25 -0.52 1.51 -0.00 0.00 0.00 178.44 179.77 1ugk s ASP 70 N -6.26 4.78 0.52 -0.43 1.47 -1.26 -3.61 116.67 111.87 1ugk s ASP 70 Ca 0.04 -3.33 -0.19 0.00 1.18 0.00 0.00 52.55 50.25 1ugk s ASP 70 Cb 0.08 -1.70 -0.07 0.00 -0.34 0.00 0.00 42.92 40.89 1ugk s ASP 70 CO 0.68 -0.20 1.04 -2.16 0.68 0.00 0.00 175.17 175.21 1ugk s PRO 71 N -0.73 3.67 -0.44 2.11 0.04 -1.20 -4.85 135.00 133.60 1ugk s PRO 71 Ca 0.20 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1ugk s PRO 71 Cb -0.17 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.43 1ugk s PRO 71 CO -0.07 -0.53 0.24 0.00 0.04 0.00 0.00 177.00 176.68 1ugk s ALA 72 N -2.14 2.17 -0.04 8.56 0.00 -1.26 -1.49 121.76 127.54 1ugk s ALA 72 Ca 0.66 -2.60 -0.22 0.00 0.00 0.00 0.00 51.96 49.80 1ugk s ALA 72 Cb -0.16 -1.89 -0.31 0.00 0.00 0.00 0.00 23.12 20.76 1ugk s ALA 72 CO 0.25 -2.06 0.91 0.74 0.00 0.00 0.00 175.76 175.60 1ugk h PHE 73 N 6.74 0.54 -6.78 0.00 0.04 -1.73 -3.47 116.94 112.28 1ugk h PHE 73 Ca -0.01 -0.38 -0.56 0.00 2.80 0.00 0.00 57.97 59.81 1ugk h PHE 73 Cb 0.93 -0.03 -0.31 0.00 2.20 0.00 0.00 35.95 38.75 1ugk h PHE 73 CO 0.48 1.29 -0.82 -3.47 -0.60 0.00 0.00 178.31 175.19 1ugk n ASP 74 N -4.14 -1.01 -4.32 2.17 2.03 0.33 -4.87 116.55 106.73 1ugk n ASP 74 Ca -0.13 -1.12 -0.27 0.00 0.52 0.00 0.00 54.79 53.79 1ugk n ASP 74 Cb 0.80 -1.42 0.16 0.00 -0.72 0.00 0.00 41.12 39.94 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugk s GLU 75 N -6.65 0.99 -0.23 -0.67 2.02 -0.60 -4.80 118.70 108.77 1ugk s GLU 75 Ca 0.56 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 1ugk s GLU 75 Cb -0.33 -2.08 0.09 0.00 0.10 0.00 0.00 34.13 31.91 1ugk s GLU 75 CO 0.91 -2.04 0.53 0.99 0.02 0.00 0.00 175.26 175.67 1ugk s THR 76 N -3.56 -0.38 -0.11 3.63 2.01 -1.26 -1.36 115.64 114.62 1ugk s THR 76 Ca 0.72 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.82 1ugk s THR 76 Cb -0.03 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1ugk s THR 76 CO 0.49 0.03 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.88 1ugk s PHE 77 N 2.08 2.62 0.12 4.92 0.08 -1.23 -4.99 117.98 121.58 1ugk s PHE 77 Ca -0.07 -0.94 0.03 0.00 0.12 0.00 0.00 56.93 56.07 1ugk s PHE 77 Cb -0.09 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1ugk s PHE 77 CO -0.16 -0.36 0.17 0.99 -0.10 0.00 0.00 175.22 175.76 1ugk s THR 78 N 0.32 4.89 -0.18 0.64 2.01 -1.26 -2.36 115.64 119.70 1ugk s THR 78 Ca -0.17 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1ugk s THR 78 Cb -0.17 -3.45 0.08 0.00 0.01 0.00 0.00 72.50 68.97 1ugk s THR 78 CO 0.08 0.00 0.37 -0.36 -0.69 0.00 0.00 174.62 174.03 1ugk s PHE 79 N -1.61 -0.67 0.02 4.92 0.08 -0.62 -4.99 117.98 115.10 1ugk s PHE 79 Ca 0.32 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.67 1ugk s PHE 79 Cb -0.11 0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1ugk s PHE 79 CO 0.25 -0.44 0.24 0.71 -0.10 0.00 0.00 175.22 175.89 1ugk s TYR 80 N 2.49 3.55 0.00 0.36 2.02 -1.26 -1.98 117.35 122.53 1ugk s TYR 80 Ca -0.01 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1ugk s TYR 80 Cb -0.12 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1ugk s TYR 80 CO -0.11 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.88 1ugk n GLY 81 N 0.85 0.84 3.64 0.71 0.00 -1.26 -5.05 105.19 104.92 1ugk n GLY 81 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1ugk n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 82 N -1.04 3.41 -1.35 -0.61 1.09 -1.26 -4.82 121.20 116.62 1ugk s ILE 82 Ca 0.00 0.48 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 1ugk s ILE 82 Cb 0.00 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1ugk s ILE 82 CO 0.00 -0.14 0.51 -0.81 -0.10 0.00 0.00 174.94 174.40 1ugk n PRO 83 N 7.72 0.75 0.00 2.79 -0.04 -1.26 -4.59 135.00 140.37 1ugk n PRO 83 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1ugk n PRO 83 Cb 0.44 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1ugk n PRO 83 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ugk n TYR 84 N -0.10 0.00 0.22 0.54 9.36 -1.26 -4.24 117.16 121.68 1ugk n TYR 84 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1ugk n TYR 84 Cb 0.12 0.00 0.69 0.00 -0.63 0.00 0.00 39.34 39.52 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 0.00 2.97 1.35 -2.01 0.98 112.91 116.20 1ugk h THR 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ugk h THR 85 Cb 0.00 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1ugk h THR 85 CO 0.00 0.00 -0.56 1.67 -0.25 0.00 0.00 175.52 176.38 1ugk n GLN 86 N -2.45 0.13 -0.22 4.72 7.27 -1.26 -3.88 117.38 121.68 1ugk n GLN 86 Ca -0.02 0.03 0.10 0.00 0.07 0.00 0.00 57.00 57.19 1ugk n GLN 86 Cb 0.16 -1.57 0.38 0.00 2.41 0.00 0.00 30.24 31.62 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1ugk h ILE 87 N 0.00 0.90 0.00 1.69 1.08 0.66 0.99 117.51 122.83 1ugk h ILE 87 Ca 0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1ugk h ILE 87 Cb 0.60 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1ugk h ILE 87 CO 0.00 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1ugk n GLN 88 N -4.52 0.41 -0.08 2.37 6.02 -1.25 -1.70 117.38 118.63 1ugk n GLN 88 Ca 0.14 0.06 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 1ugk n GLN 88 Cb 0.39 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.24 1ugk n GLN 88 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ugk n GLU 89 N -1.19 1.55 -0.64 -1.09 -0.58 0.34 -3.69 120.64 115.33 1ugk n GLU 89 Ca 0.12 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 1ugk n GLU 89 Cb 0.13 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1ugk n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ugk n LEU 90 N 0.68 0.00 0.00 -4.62 4.77 -0.69 -4.19 117.00 112.96 1ugk n LEU 90 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ugk n LEU 90 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ugk n LEU 90 CO 0.08 -0.23 0.00 0.00 -1.33 0.00 0.00 177.39 175.91 1ugk n ALA 91 N -3.00 0.00 -2.53 -1.18 0.00 0.25 -3.89 120.51 110.16 1ugk n ALA 91 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ugk n ALA 91 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ugk n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ugk s LEU 92 N 0.00 4.41 -0.29 0.00 1.43 -0.96 0.21 118.68 123.47 1ugk s LEU 92 Ca 0.00 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1ugk s LEU 92 Cb 0.00 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.48 1ugk s LEU 92 CO 0.00 0.24 -0.01 -2.28 0.23 0.00 0.00 176.35 174.53 1ugk s HIS 93 N -1.25 3.00 -0.54 0.29 2.46 -1.00 -0.95 115.29 117.29 1ugk s HIS 93 Ca 0.29 -2.33 -0.19 0.00 0.47 0.00 0.00 55.06 53.30 1ugk s HIS 93 Cb -0.15 -2.16 0.07 0.00 -0.13 0.00 0.00 32.58 30.21 1ugk s HIS 93 CO 0.16 -0.87 0.66 -0.06 -2.47 0.00 0.00 174.74 172.16 1ugk s PHE 94 N 1.18 3.02 -0.07 3.88 0.08 0.27 -3.45 117.98 122.89 1ugk s PHE 94 Ca 0.01 -0.67 -0.14 0.00 0.12 0.00 0.00 56.93 56.26 1ugk s PHE 94 Cb -0.19 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.49 1ugk s PHE 94 CO -0.09 -1.14 0.34 0.99 -0.10 0.00 0.00 175.22 175.23 1ugk s THR 95 N 2.70 5.18 -0.88 0.64 2.01 -1.06 0.17 115.64 124.40 1ugk s THR 95 Ca 0.14 0.68 -0.15 0.00 0.31 0.00 0.00 61.69 62.68 1ugk s THR 95 Cb -0.21 -3.65 0.21 0.00 0.01 0.00 0.00 72.50 68.86 1ugk s THR 95 CO 0.10 0.52 0.88 -0.63 -0.69 0.00 0.00 174.62 174.80 1ugk s ILE 96 N -0.57 5.47 0.00 1.82 -1.09 -0.19 -2.06 121.20 124.58 1ugk s ILE 96 Ca 0.21 -2.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.24 1ugk s ILE 96 Cb -0.15 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.18 1ugk s ILE 96 CO 0.09 -1.14 0.00 0.18 -1.23 0.00 0.00 174.94 172.84 1ugk n LEU 97 N 4.38 0.00 -3.67 2.97 4.32 -1.13 0.22 117.00 124.09 1ugk n LEU 97 Ca 0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.02 1ugk n LEU 97 Cb 0.47 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.18 1ugk n LEU 97 CO 0.38 -0.37 0.24 -0.55 -1.22 0.00 0.00 177.39 175.86 1ugk s SER 98 N -0.97 -0.53 -0.19 -1.43 0.15 -1.23 -3.22 113.70 106.29 1ugk s SER 98 Ca 0.00 0.89 -0.29 0.00 0.70 0.00 0.00 55.95 57.25 1ugk s SER 98 Cb 0.00 0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1ugk s SER 98 CO 0.00 -0.30 1.33 0.12 1.20 0.00 0.00 173.24 175.59 1ugk s PHE 99 N -0.20 2.69 0.13 3.44 5.36 -0.92 -4.17 117.98 124.31 1ugk s PHE 99 Ca -0.04 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 56.84 1ugk s PHE 99 Cb -0.03 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 1ugk s PHE 99 CO 0.03 -1.96 0.22 0.34 -1.46 0.00 0.00 175.22 172.38 1ugk s ASP 100 N 2.43 6.05 0.47 6.13 2.15 -1.26 -4.69 116.67 127.94 1ugk s ASP 100 Ca 0.58 0.09 0.25 0.00 0.43 0.00 0.00 52.55 53.90 1ugk s ASP 100 Cb -0.22 -1.76 1.10 0.00 -0.30 0.00 0.00 42.92 41.75 1ugk s ASP 100 CO 0.19 0.08 1.91 -0.09 -0.17 0.00 0.00 175.17 177.09 1ugk h ARG 101 N 2.44 0.00 0.00 4.34 1.12 -1.95 -3.38 114.38 116.96 1ugk h ARG 101 Ca -0.48 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 1ugk h ARG 101 Cb 1.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1ugk h ARG 101 CO 0.68 0.19 0.00 1.19 -3.11 0.00 0.00 179.97 178.92 1ugk n PHE 102 N -3.47 0.00 0.00 2.20 3.01 -1.26 -5.07 117.46 112.87 1ugk n PHE 102 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ugk n PHE 102 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1ugk n PHE 102 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ugk n SER 103 N -0.90 0.00 -4.28 4.37 3.41 -1.26 -5.10 113.62 109.86 1ugk n SER 103 Ca 0.00 0.00 -0.58 0.00 -0.26 0.00 0.00 58.87 58.03 1ugk n SER 103 Cb 0.00 0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 63.89 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ugk n ARG 104 N -1.31 0.03 -2.53 4.33 5.12 -1.26 -4.78 116.66 116.26 1ugk n ARG 104 Ca 0.00 0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 1ugk n ARG 104 Cb 0.00 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 29.75 1ugk n ARG 104 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1ugk s ASP 105 N 6.29 7.08 -0.81 0.55 1.47 -1.26 -4.65 116.67 125.34 1ugk s ASP 105 Ca 1.21 1.66 -0.15 0.00 1.18 0.00 0.00 52.55 56.45 1ugk s ASP 105 Cb -1.46 -2.55 0.19 0.00 -0.34 0.00 0.00 42.92 38.76 1ugk s ASP 105 CO 0.64 -0.61 0.80 -1.81 0.68 0.00 0.00 175.17 174.87 1ugk s ASP 106 N 1.46 6.67 -0.30 2.11 1.11 -1.26 -4.98 116.67 121.48 1ugk s ASP 106 Ca 0.52 -2.46 -0.28 0.00 0.18 0.00 0.00 52.55 50.51 1ugk s ASP 106 Cb -0.21 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 1ugk s ASP 106 CO 0.17 -0.70 1.85 -0.63 1.18 0.00 0.00 175.17 177.04 1ugk s ILE 107 N 0.80 3.41 0.06 0.77 1.01 -1.26 -3.49 121.20 122.49 1ugk s ILE 107 Ca 0.19 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.11 1ugk s ILE 107 Cb -0.12 -3.55 -0.24 0.00 0.01 0.00 0.00 42.46 38.56 1ugk s ILE 107 CO -0.07 -0.34 1.15 0.40 0.00 0.00 0.00 174.94 176.08 1ugk h ILE 108 N 6.82 1.31 -2.05 2.92 2.04 0.24 -3.48 117.51 125.30 1ugk h ILE 108 Ca -0.35 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.25 1ugk h ILE 108 Cb 1.18 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1ugk h ILE 108 CO 1.02 0.69 0.02 0.61 0.00 0.00 0.00 178.15 180.49 1ugk n GLY 109 N 1.14 1.87 3.22 5.37 0.00 -0.86 -4.71 105.19 111.22 1ugk n GLY 109 Ca -0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1ugk n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugk s GLU 110 N -2.01 0.67 -0.01 1.61 2.02 -1.19 -1.02 118.70 118.78 1ugk s GLU 110 Ca 0.01 -0.33 -0.09 0.00 0.02 0.00 0.00 54.97 54.58 1ugk s GLU 110 Cb -0.00 0.29 0.01 0.00 0.10 0.00 0.00 34.13 34.53 1ugk s GLU 110 CO 0.01 -0.19 0.18 0.08 0.02 0.00 0.00 175.26 175.36 1ugk s VAL 111 N -1.71 0.07 -0.05 2.63 1.01 0.44 -4.22 120.40 118.56 1ugk s VAL 111 Ca -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1ugk s VAL 111 Cb -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1ugk s VAL 111 CO 0.02 -0.31 0.15 -0.22 0.00 0.00 0.00 175.10 174.73 1ugk s LEU 112 N -1.21 1.43 -0.32 3.92 2.96 -1.26 0.97 118.68 125.16 1ugk s LEU 112 Ca -0.13 0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1ugk s LEU 112 Cb -0.06 0.53 0.11 0.00 0.50 0.00 0.00 46.19 47.27 1ugk s LEU 112 CO 0.02 -0.07 0.15 -0.51 -1.32 0.00 0.00 176.35 174.62 1ugk s ILE 113 N -0.01 0.29 -0.08 6.68 1.10 -0.13 -4.97 121.20 124.08 1ugk s ILE 113 Ca -0.01 -1.25 -0.30 0.00 -0.51 0.00 0.00 60.65 58.58 1ugk s ILE 113 Cb -0.01 -1.23 -0.03 0.00 0.15 0.00 0.00 42.46 41.34 1ugk s ILE 113 CO 0.00 -0.79 1.23 -2.16 -2.11 0.00 0.00 174.94 171.11 1ugk s PRO 114 N 1.62 4.31 0.00 3.50 0.04 -1.26 -2.28 135.00 140.94 1ugk s PRO 114 Ca 0.12 1.69 0.13 0.00 0.04 0.00 0.00 61.00 62.98 1ugk s PRO 114 Cb -0.19 -3.62 0.66 0.00 0.04 0.00 0.00 34.50 31.39 1ugk s PRO 114 CO -0.23 -0.53 1.44 1.28 0.04 0.00 0.00 177.00 179.00 1ugk n LEU 115 N 5.63 0.55 -3.34 -3.56 4.77 -1.25 -4.54 117.00 115.25 1ugk n LEU 115 Ca 0.12 -0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.56 1ugk n LEU 115 Cb 0.46 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1ugk n LEU 115 CO 0.56 0.12 2.11 -0.24 -1.33 0.00 0.00 177.39 178.61 1ugk n SER 116 N -0.34 3.41 0.00 -1.43 2.88 -1.24 -1.86 113.62 115.03 1ugk n SER 116 Ca 0.10 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1ugk n SER 116 Cb 0.13 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1ugk n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 117 N 4.13 0.85 3.77 0.46 0.00 -1.26 -5.03 105.19 108.10 1ugk n GLY 117 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1ugk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 118 N 0.00 2.56 -0.11 -0.61 -1.09 -0.78 -5.02 121.20 116.16 1ugk s ILE 118 Ca 0.00 0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.97 1ugk s ILE 118 Cb 0.00 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1ugk s ILE 118 CO 0.00 0.08 -0.24 -1.83 -1.23 0.00 0.00 174.94 171.72 1ugk s GLU 119 N -2.23 3.05 -0.00 2.79 4.04 -1.26 -4.86 118.70 120.23 1ugk s GLU 119 Ca 0.57 -0.87 0.07 0.00 0.04 0.00 0.00 54.97 54.77 1ugk s GLU 119 Cb -0.39 -2.32 0.20 0.00 0.02 0.00 0.00 34.13 31.64 1ugk s GLU 119 CO 0.50 0.16 1.17 1.28 -1.84 0.00 0.00 175.26 176.53 1ugk n LEU 120 N 3.59 2.62 0.09 1.83 4.77 -1.26 -4.72 117.00 123.91 1ugk n LEU 120 Ca -0.19 -2.00 -0.13 0.00 -0.03 0.00 0.00 56.01 53.66 1ugk n LEU 120 Cb 0.53 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1ugk n LEU 120 CO 0.28 0.65 0.51 -1.28 -1.33 0.00 0.00 177.39 176.22 1ugk h SER 121 N 1.34 -1.29 -0.38 -1.43 0.87 -1.97 -2.79 113.55 107.90 1ugk h SER 121 Ca 0.00 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1ugk h SER 121 Cb 0.65 0.47 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 1ugk h SER 121 CO 0.00 -0.45 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.08 1ugk h GLU 122 N -0.60 -0.26 0.00 2.24 4.39 -2.02 -3.48 114.58 114.85 1ugk h GLU 122 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ugk h GLU 122 Cb 0.61 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1ugk h GLU 122 CO -0.23 -0.17 0.00 0.41 -1.16 0.00 0.00 179.01 177.85 1ugk n GLY 123 N -1.28 -0.85 3.81 -3.84 0.00 -1.06 -5.14 105.19 96.84 1ugk n GLY 123 Ca -0.02 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ugk n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugk s LYS 124 N -0.34 4.25 0.06 1.61 2.20 -1.26 -4.62 119.74 121.64 1ugk s LYS 124 Ca 0.00 0.85 0.05 0.00 -0.36 0.00 0.00 55.97 56.51 1ugk s LYS 124 Cb 0.00 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1ugk s LYS 124 CO 0.00 0.43 -0.15 0.00 -0.36 0.00 0.00 175.35 175.27 1ugk s MET 125 N -1.86 0.92 -0.16 4.03 0.23 -0.64 -4.98 119.30 116.84 1ugk s MET 125 Ca 0.41 -0.90 -0.08 0.00 -1.03 0.00 0.00 55.69 54.09 1ugk s MET 125 Cb -0.17 -0.96 -0.04 0.00 -1.53 0.00 0.00 34.83 32.13 1ugk s MET 125 CO 0.21 0.22 0.12 -1.17 -2.03 0.00 0.00 175.02 172.37 1ugk s LEU 126 N -1.51 4.19 0.04 0.18 1.98 -1.26 -1.53 118.68 120.77 1ugk s LEU 126 Ca 0.01 0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 51.51 1ugk s LEU 126 Cb -0.09 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.69 1ugk s LEU 126 CO 0.02 0.28 0.05 -0.04 -1.89 0.00 0.00 176.35 174.77 1ugk s MET 127 N -0.26 0.59 0.11 1.98 -1.94 0.34 -5.00 119.30 115.12 1ugk s MET 127 Ca 0.10 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1ugk s MET 127 Cb -0.12 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 1ugk s MET 127 CO 0.01 -0.14 -0.07 0.54 -0.01 0.00 0.00 175.02 175.35 1ugk s ASN 128 N -2.35 1.26 -0.06 3.03 2.20 -1.26 -1.49 114.94 116.27 1ugk s ASN 128 Ca -0.02 -1.00 -0.11 0.00 -0.94 0.00 0.00 52.86 50.79 1ugk s ASN 128 Cb 0.01 0.07 0.02 0.00 -2.00 0.00 0.00 41.25 39.36 1ugk s ASN 128 CO -0.06 -0.44 0.27 -0.13 -2.94 0.00 0.00 177.10 173.80 1ugk s ARG 129 N -3.78 0.45 0.30 3.55 1.81 -0.30 -4.98 118.95 116.00 1ugk s ARG 129 Ca 0.12 0.10 -0.17 0.00 -1.72 0.00 0.00 55.73 54.06 1ugk s ARG 129 Cb 0.04 0.21 -0.09 0.00 -0.45 0.00 0.00 34.95 34.66 1ugk s ARG 129 CO -0.04 -0.09 0.74 -1.83 -0.68 0.00 0.00 175.30 173.40 1ugk s GLU 130 N -0.52 4.09 -0.27 3.54 -1.05 -1.26 -0.61 118.70 122.62 1ugk s GLU 130 Ca -0.06 0.75 -0.08 0.00 -0.15 0.00 0.00 54.97 55.43 1ugk s GLU 130 Cb -0.04 -2.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.08 1ugk s GLU 130 CO 0.02 0.22 0.09 0.42 0.95 0.00 0.00 175.26 176.96 1ugk s ILE 131 N -1.85 4.32 0.09 1.83 1.01 0.74 -4.81 121.20 122.53 1ugk s ILE 131 Ca 0.51 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1ugk s ILE 131 Cb -0.12 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 1ugk s ILE 131 CO 0.18 0.24 0.02 2.30 0.00 0.00 0.00 174.94 177.69 1ugk n ILE 132 N 4.93 0.00 -2.32 2.92 -6.64 -1.26 -3.50 119.36 113.49 1ugk n ILE 132 Ca -0.15 -0.48 -0.42 0.00 -1.77 0.00 0.00 62.75 59.92 1ugk n ILE 132 Cb 0.50 0.15 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -1.72 5.52 -0.89 7.28 2.88 -1.26 -3.14 113.62 122.29 1ugk n SER 133 Ca -0.02 -3.13 0.05 0.00 -1.33 0.00 0.00 58.87 54.44 1ugk n SER 133 Cb 0.13 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 62.11 1ugk n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 134 N 2.58 -3.34 2.30 0.46 0.00 -1.26 -4.33 105.19 101.60 1ugk n GLY 134 Ca 0.42 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 1ugk n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugk n PRO 135 N -2.69 2.13 -2.18 1.61 -0.04 -1.26 -4.74 135.00 127.82 1ugk n PRO 135 Ca -0.03 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1ugk n PRO 135 Cb 0.34 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1ugk n PRO 135 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugk n SER 136 N 3.26 -9.07 -3.98 3.54 7.64 -1.26 -5.00 113.62 108.76 1ugk n SER 136 Ca 0.45 1.54 -0.29 0.00 1.01 0.00 0.00 58.87 61.58 1ugk n SER 136 Cb 0.44 -5.14 -0.16 0.00 -1.01 0.00 0.00 64.21 58.34 1ugk n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugk s SER 137 N -0.54 2.73 0.00 6.43 0.15 -1.26 -5.23 113.70 115.99 1ugk s SER 137 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1ugk s SER 137 Cb 0.00 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1ugk s SER 137 CO 0.00 -0.10 0.28 0.61 1.20 0.00 0.00 173.24 175.23