#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 0.00 -3.41 1.61 3.41 -1.26 -5.07 113.62 108.90 1ugk n SER 2 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1ugk n SER 2 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.00 -5.94 -3.74 4.04 7.64 -1.26 -4.94 113.62 109.42 1ugk n SER 3 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1ugk n SER 3 Cb 0.00 -2.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.79 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 -0.38 -3.06 2.05 0.23 0.00 -1.26 -5.04 105.19 97.73 1ugk n GLY 4 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugk n SER 5 N 0.00 -0.96 -4.50 1.61 2.88 -1.26 -5.11 113.62 106.27 1ugk n SER 5 Ca 0.00 0.58 -0.32 0.00 -1.33 0.00 0.00 58.87 57.80 1ugk n SER 5 Cb 0.00 1.09 -0.12 0.00 -0.75 0.00 0.00 64.21 64.43 1ugk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugk s SER 6 N -4.42 4.11 0.11 -3.46 0.01 -1.26 -5.07 113.70 103.72 1ugk s SER 6 Ca 0.00 -0.23 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 1ugk s SER 6 Cb 0.00 -0.85 -0.15 0.00 0.21 0.00 0.00 66.02 65.23 1ugk s SER 6 CO 0.00 0.31 0.61 0.61 0.41 0.00 0.00 173.24 175.19 1ugk n GLY 7 N 1.98 -1.03 0.00 3.44 0.00 -1.26 -4.92 105.19 103.40 1ugk n GLY 7 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.54 0.07 0.00 0.99 7.99 -1.19 -5.00 117.00 121.40 1ugk n LEU 8 Ca 0.16 0.03 -0.02 0.00 -0.01 0.00 0.00 56.01 56.17 1ugk n LEU 8 Cb 0.16 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.48 1ugk n LEU 8 CO 0.49 0.00 0.22 0.61 -1.51 0.00 0.00 177.39 177.20 1ugk n GLY 9 N 0.71 1.37 3.58 -0.72 0.00 0.04 -4.21 105.19 105.97 1ugk n GLY 9 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.56 3.00 -0.04 2.61 2.01 0.49 0.10 115.64 121.26 1ugk s THR 10 Ca 0.06 -2.10 0.06 0.00 0.31 0.00 0.00 61.69 60.02 1ugk s THR 10 Cb -0.01 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1ugk s THR 10 CO 0.03 -0.36 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.16 1ugk s LEU 11 N -3.62 2.01 -0.04 4.42 2.96 0.20 -1.64 118.68 122.96 1ugk s LEU 11 Ca 0.31 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1ugk s LEU 11 Cb -0.05 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 1ugk s LEU 11 CO 0.18 0.22 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.81 1ugk s PHE 12 N -0.17 2.39 0.08 5.38 0.08 -0.79 -0.48 117.98 124.46 1ugk s PHE 12 Ca -0.01 -0.60 -0.27 0.00 0.12 0.00 0.00 56.93 56.17 1ugk s PHE 12 Cb -0.12 -1.55 0.08 0.00 -0.57 0.00 0.00 43.02 40.86 1ugk s PHE 12 CO 0.02 -0.14 1.04 -0.59 -0.10 0.00 0.00 175.22 175.45 1ugk s PHE 13 N -0.36 -0.13 0.15 0.36 -0.71 -0.34 -1.22 117.98 115.73 1ugk s PHE 13 Ca 0.02 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.85 1ugk s PHE 13 Cb -0.12 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1ugk s PHE 13 CO 0.02 -0.64 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.65 1ugk s SER 14 N -2.87 1.56 -0.04 1.98 1.04 -0.52 -0.12 113.70 114.73 1ugk s SER 14 Ca 0.12 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.53 1ugk s SER 14 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 1ugk s SER 14 CO -0.01 -0.42 -0.16 -0.76 0.98 0.00 0.00 173.24 172.87 1ugk s LEU 15 N -3.16 1.92 -0.22 2.42 1.43 -0.97 -2.00 118.68 118.10 1ugk s LEU 15 Ca 0.18 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1ugk s LEU 15 Cb 0.04 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1ugk s LEU 15 CO 0.01 0.15 0.51 -0.70 0.23 0.00 0.00 176.35 176.55 1ugk s GLU 16 N -0.01 0.48 -0.22 1.70 2.12 -0.09 -2.97 118.70 119.70 1ugk s GLU 16 Ca -0.02 1.04 -0.10 0.00 0.36 0.00 0.00 54.97 56.25 1ugk s GLU 16 Cb -0.11 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1ugk s GLU 16 CO 0.02 -0.18 0.13 -0.47 -0.54 0.00 0.00 175.26 174.21 1ugk s TYR 17 N 1.91 3.31 -0.78 5.30 5.04 -1.25 0.18 117.35 131.07 1ugk s TYR 17 Ca -0.07 0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.48 1ugk s TYR 17 Cb -0.09 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 1ugk s TYR 17 CO -0.15 0.12 1.83 1.21 -1.34 0.00 0.00 175.55 177.21 1ugk s ASN 18 N 0.77 5.36 0.23 4.32 3.84 0.54 -4.45 114.94 125.54 1ugk s ASN 18 Ca 0.07 -0.29 -0.01 0.00 0.21 0.00 0.00 52.86 52.83 1ugk s ASN 18 Cb -0.13 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.27 1ugk s ASN 18 CO 0.02 -2.44 1.62 -0.26 -2.79 0.00 0.00 177.10 173.25 1ugk h PHE 19 N 12.65 0.69 -0.20 0.43 -1.00 -1.91 2.08 116.94 129.68 1ugk h PHE 19 Ca -0.07 -0.18 0.03 0.00 2.81 0.00 0.00 57.97 60.56 1ugk h PHE 19 Cb 1.07 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 1ugk h PHE 19 CO 1.14 0.86 0.02 1.49 -1.61 0.00 0.00 178.31 180.21 1ugk h GLU 20 N 0.51 0.09 -0.33 1.51 4.81 -1.96 -2.61 114.58 116.60 1ugk h GLU 20 Ca 0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ugk h GLU 20 Cb 0.82 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1ugk h GLU 20 CO 0.07 0.06 0.01 0.54 -0.73 0.00 0.00 179.01 178.96 1ugk n ARG 21 N -5.11 2.94 -3.63 1.92 1.74 -1.17 -4.99 116.66 108.36 1ugk n ARG 21 Ca -0.03 -2.93 -0.22 0.00 -0.77 0.00 0.00 57.85 53.91 1ugk n ARG 21 Cb 0.10 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 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 -0.51 -1.28 -4.37 5.56 4.01 0.57 -4.76 118.16 117.38 1ugk n LYS 22 Ca 0.25 0.61 -0.22 0.00 -0.51 0.00 0.00 58.31 58.44 1ugk n LYS 22 Cb 0.97 -1.88 -0.08 0.00 -0.51 0.00 0.00 35.03 33.53 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ugk s ALA 23 N -2.87 2.25 -0.05 7.82 0.00 0.56 -3.92 121.76 125.55 1ugk s ALA 23 Ca 0.01 -1.72 0.06 0.00 0.00 0.00 0.00 51.96 50.31 1ugk s ALA 23 Cb -0.01 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 1ugk s ALA 23 CO 0.77 -0.53 -0.23 0.12 0.00 0.00 0.00 175.76 175.89 1ugk s PHE 24 N -3.39 2.24 -0.23 0.00 5.36 -0.47 0.20 117.98 121.68 1ugk s PHE 24 Ca 0.34 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1ugk s PHE 24 Cb 0.03 -1.47 0.05 0.00 -0.34 0.00 0.00 43.02 41.29 1ugk s PHE 24 CO 0.22 -0.20 -0.09 0.08 -1.46 0.00 0.00 175.22 173.77 1ugk s VAL 25 N -0.11 1.75 -0.62 3.12 1.01 0.49 -1.76 120.40 124.28 1ugk s VAL 25 Ca -0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.59 1ugk s VAL 25 Cb -0.13 -1.91 0.16 0.00 0.00 0.00 0.00 36.38 34.50 1ugk s VAL 25 CO 0.03 0.01 0.49 -0.69 0.00 0.00 0.00 175.10 174.94 1ugk s VAL 26 N 1.31 4.35 -0.05 2.92 1.01 -1.06 -0.92 120.40 127.95 1ugk s VAL 26 Ca -0.05 -2.44 -0.29 0.00 0.00 0.00 0.00 61.98 59.20 1ugk s VAL 26 Cb -0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ugk s VAL 26 CO -0.07 -0.88 0.95 0.21 0.00 0.00 0.00 175.10 175.31 1ugk s ASN 27 N 1.72 7.26 -0.43 3.32 3.04 -0.85 -3.28 114.94 125.73 1ugk s ASN 27 Ca 0.13 1.53 -0.06 0.00 0.04 0.00 0.00 52.86 54.50 1ugk s ASN 27 Cb -0.20 -2.54 0.10 0.00 -1.54 0.00 0.00 41.25 37.08 1ugk s ASN 27 CO -0.04 -0.31 0.25 -0.63 -3.04 0.00 0.00 177.10 173.33 1ugk s ILE 28 N 1.38 3.80 0.00 -5.21 1.01 0.15 -1.44 121.20 120.89 1ugk s ILE 28 Ca 0.48 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1ugk s ILE 28 Cb -0.19 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1ugk s ILE 28 CO 0.23 -0.64 0.00 1.17 0.00 0.00 0.00 174.94 175.69 1ugk n LYS 29 N 4.78 1.74 -4.15 2.79 3.00 -0.36 -0.95 118.16 125.01 1ugk n LYS 29 Ca -0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.97 1ugk n LYS 29 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.41 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 -0.08 1.64 -1.05 -1.23 -1.60 118.70 118.62 1ugk s GLU 30 Ca 0.00 -2.10 0.02 0.00 -0.15 0.00 0.00 54.97 52.73 1ugk s GLU 30 Cb 0.00 -1.93 0.02 0.00 -0.44 0.00 0.00 34.13 31.77 1ugk s GLU 30 CO 0.00 -0.49 -0.12 0.00 0.95 0.00 0.00 175.26 175.60 1ugk s ALA 31 N -2.78 1.33 -0.11 -0.84 0.00 -0.91 -1.89 121.76 116.57 1ugk s ALA 31 Ca 0.27 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1ugk s ALA 31 Cb -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1ugk s ALA 31 CO 0.16 -0.00 -0.21 1.03 0.00 0.00 0.00 175.76 176.74 1ugk s ARG 32 N 0.88 3.13 0.00 0.00 0.52 -0.65 -3.76 118.95 119.07 1ugk s ARG 32 Ca -0.10 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1ugk s ARG 32 Cb -0.15 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1ugk s ARG 32 CO 0.01 0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.94 1ugk n GLY 33 N 3.50 0.74 3.35 -3.53 0.00 -1.26 0.19 105.19 108.17 1ugk n GLY 33 Ca -0.19 0.00 -0.38 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 4.03 0.05 0.99 1.43 -1.23 -0.78 118.68 123.17 1ugk s LEU 34 Ca 0.00 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.01 1ugk s LEU 34 Cb 0.00 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1ugk s LEU 34 CO 0.00 -0.23 1.17 -2.16 0.23 0.00 0.00 176.35 175.36 1ugk s PRO 35 N 1.50 4.45 0.91 1.29 0.04 -1.26 -4.74 135.00 137.18 1ugk s PRO 35 Ca 0.02 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1ugk s PRO 35 Cb -0.18 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 1ugk s PRO 35 CO 0.03 -0.23 -0.01 0.00 0.04 0.00 0.00 177.00 176.83 1ugk n ALA 36 N 3.94 -3.43 -0.04 8.56 0.00 -1.26 -4.95 120.51 123.33 1ugk n ALA 36 Ca 0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 1ugk n ALA 36 Cb 0.47 -1.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 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 0.03 0.72 -1.87 0.00 2.81 -1.24 -5.00 117.12 112.56 1ugk n MET 37 Ca 0.04 0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.77 1ugk n MET 37 Cb 0.53 -1.16 0.12 0.00 -0.71 0.00 0.00 33.22 32.01 1ugk n MET 37 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ugk n ASP 38 N -2.64 0.64 0.05 7.83 -0.08 -1.23 -5.07 116.55 116.05 1ugk n ASP 38 Ca -0.13 -1.68 0.00 0.00 -1.51 0.00 0.00 54.79 51.47 1ugk n ASP 38 Cb 0.66 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1ugk n ASP 38 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ugk n GLU 39 N -2.79 0.00 -0.33 -0.67 1.02 -1.26 -4.70 120.64 111.91 1ugk n GLU 39 Ca 0.13 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.51 1ugk n GLU 39 Cb 0.46 -0.45 0.45 0.00 -0.02 0.00 0.00 31.44 31.88 1ugk n GLU 39 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ugk h GLN 40 N 0.00 0.03 -4.53 3.49 4.20 -1.98 -3.28 115.11 113.04 1ugk h GLN 40 Ca 0.00 -0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1ugk h GLN 40 Cb 0.08 -0.01 -0.37 0.00 0.30 0.00 0.00 27.48 27.48 1ugk h GLN 40 CO 0.00 0.02 -0.80 -1.12 -0.67 0.00 0.00 178.83 176.26 1ugk s SER 41 N -4.76 3.67 -0.74 1.46 0.01 -1.26 -5.03 113.70 107.05 1ugk s SER 41 Ca -0.11 -1.05 -0.27 0.00 1.31 0.00 0.00 55.95 55.84 1ugk s SER 41 Cb 0.32 -1.25 -0.25 0.00 0.21 0.00 0.00 66.02 65.05 1ugk s SER 41 CO 0.78 -0.18 1.91 0.80 0.41 0.00 0.00 173.24 176.95 1ugk n MET 42 N 4.65 0.49 -3.92 12.44 1.56 -1.24 -4.54 117.12 126.56 1ugk n MET 42 Ca -0.14 -1.65 0.02 0.00 -0.27 0.00 0.00 57.70 55.67 1ugk n MET 42 Cb 0.45 -3.36 0.01 0.00 2.15 0.00 0.00 33.22 32.47 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 11.84 0.00 0.26 1.12 -1.32 -1.26 -4.93 115.64 121.35 1ugk s THR 43 Ca 0.73 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.83 1ugk s THR 43 Cb 0.04 -2.79 0.07 0.00 -1.51 0.00 0.00 72.50 68.30 1ugk s THR 43 CO 0.22 0.00 0.93 -0.94 -2.21 0.00 0.00 174.62 172.62 1ugk s SER 44 N -3.66 -0.02 -0.62 8.08 1.04 -1.26 -3.58 113.70 113.69 1ugk s SER 44 Ca 0.27 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1ugk s SER 44 Cb 0.00 0.64 0.26 0.00 0.10 0.00 0.00 66.02 67.03 1ugk s SER 44 CO -0.01 -1.26 0.77 0.47 0.98 0.00 0.00 173.24 174.18 1ugk n ASP 45 N -1.21 3.69 -4.81 7.02 8.00 -1.23 -0.93 116.55 127.09 1ugk n ASP 45 Ca -0.05 -3.45 -0.33 0.00 0.71 0.00 0.00 54.79 51.67 1ugk n ASP 45 Cb 0.60 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ugk s PRO 46 N -2.58 3.49 -0.24 -0.24 0.04 -1.26 -1.18 135.00 133.03 1ugk s PRO 46 Ca 0.41 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1ugk s PRO 46 Cb 0.17 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.72 1ugk s PRO 46 CO -0.03 -0.67 0.63 1.52 0.04 0.00 0.00 177.00 178.48 1ugk s TYR 47 N -2.37 -0.71 0.12 0.56 -0.85 -1.17 -4.03 117.35 108.89 1ugk s TYR 47 Ca 0.64 1.71 -0.15 0.00 -0.52 0.00 0.00 57.07 58.74 1ugk s TYR 47 Cb -0.15 0.26 -0.07 0.00 0.38 0.00 0.00 41.96 42.38 1ugk s TYR 47 CO 0.33 -0.34 0.54 0.42 -1.52 0.00 0.00 175.55 174.97 1ugk s ILE 48 N 0.43 4.85 -0.16 -3.49 1.01 -1.26 -2.11 121.20 120.47 1ugk s ILE 48 Ca -0.01 0.90 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 1ugk s ILE 48 Cb -0.05 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ugk s ILE 48 CO -0.01 0.33 -0.06 -0.54 0.00 0.00 0.00 174.94 174.67 1ugk s LYS 49 N -1.72 3.55 0.07 2.79 1.02 -0.65 -2.24 119.74 122.56 1ugk s LYS 49 Ca 0.35 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.70 1ugk s LYS 49 Cb -0.16 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1ugk s LYS 49 CO 0.19 0.15 0.33 1.41 -0.92 0.00 0.00 175.35 176.51 1ugk s MET 50 N 0.57 3.64 -0.24 1.68 1.75 0.59 -2.29 119.30 125.00 1ugk s MET 50 Ca -0.04 -0.02 -0.10 0.00 -1.25 0.00 0.00 55.69 54.28 1ugk s MET 50 Cb -0.15 -2.99 0.09 0.00 2.84 0.00 0.00 34.83 34.62 1ugk s MET 50 CO 0.03 0.57 0.55 0.99 -0.65 0.00 0.00 175.02 176.51 1ugk s THR 51 N -1.43 -0.49 -1.00 10.11 2.01 -1.20 -1.47 115.64 122.17 1ugk s THR 51 Ca 0.33 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 62.18 1ugk s THR 51 Cb -0.13 -0.83 0.07 0.00 0.01 0.00 0.00 72.50 71.62 1ugk s THR 51 CO 0.19 0.03 1.37 -0.63 -0.69 0.00 0.00 174.62 174.90 1ugk s ILE 52 N 2.25 4.10 0.51 1.82 1.01 -1.16 -1.57 121.20 128.16 1ugk s ILE 52 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 1ugk s ILE 52 Cb -0.10 -4.99 -0.06 0.00 0.01 0.00 0.00 42.46 37.32 1ugk s ILE 52 CO -0.16 -1.84 0.91 -0.76 0.00 0.00 0.00 174.94 173.09 1ugk s LEU 53 N 4.46 3.57 0.39 2.97 2.01 0.50 0.18 118.68 132.76 1ugk s LEU 53 Ca 0.43 1.32 0.21 0.00 0.01 0.00 0.00 54.13 56.10 1ugk s LEU 53 Cb -0.01 -4.28 0.60 0.00 0.01 0.00 0.00 46.19 42.51 1ugk s LEU 53 CO -0.10 -0.61 1.69 1.55 1.01 0.00 0.00 176.35 179.89 1ugk h PRO 54 N 0.57 0.00 -0.24 1.29 0.13 -1.82 0.69 132.00 132.62 1ugk h PRO 54 Ca -0.46 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1ugk h PRO 54 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1ugk h PRO 54 CO 0.62 0.28 -0.14 0.39 -0.23 0.00 0.00 178.00 178.92 1ugk n GLU 55 N -3.30 -0.11 -0.97 0.86 1.02 -0.95 -4.65 120.64 112.54 1ugk n GLU 55 Ca 0.01 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1ugk n GLU 55 Cb 0.53 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ugk n LYS 56 N -4.02 -1.09 -0.01 3.49 4.81 0.46 -4.86 118.16 116.95 1ugk n LYS 56 Ca 0.00 0.27 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ugk n LYS 56 Cb 0.06 -4.16 -0.00 0.00 0.02 0.00 0.00 35.03 30.95 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 0.47 -0.02 -5.15 1.64 1.63 -1.83 -3.40 116.57 109.92 1ugk h LYS 57 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1ugk h LYS 57 Cb 0.55 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1ugk h LYS 57 CO 0.00 -0.01 0.20 0.72 -3.45 0.00 0.00 179.45 176.91 1ugk n HIS 58 N -3.04 1.24 -3.42 1.91 8.25 -1.26 -4.86 115.22 114.03 1ugk n HIS 58 Ca -0.00 -0.40 -0.38 0.00 -0.26 0.00 0.00 57.72 56.68 1ugk n HIS 58 Cb 0.01 -2.62 -0.07 0.00 1.12 0.00 0.00 29.99 28.42 1ugk n HIS 58 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ugk s LYS 59 N 8.19 4.19 -0.08 -0.41 1.02 -1.26 -3.01 119.74 128.38 1ugk s LYS 59 Ca 0.79 0.18 -0.08 0.00 0.02 0.00 0.00 55.97 56.89 1ugk s LYS 59 Cb -0.04 -3.52 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1ugk s LYS 59 CO 0.18 0.01 0.22 0.14 -0.92 0.00 0.00 175.35 174.98 1ugk s VAL 60 N 1.15 0.01 0.16 3.17 -7.23 -0.54 -5.02 120.40 112.10 1ugk s VAL 60 Ca 0.19 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.39 1ugk s VAL 60 Cb -0.14 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1ugk s VAL 60 CO 0.07 -0.03 -0.20 -1.59 -0.31 0.00 0.00 175.10 173.05 1ugk s LYS 61 N -0.02 1.30 0.13 4.82 -2.85 -1.26 0.22 119.74 122.08 1ugk s LYS 61 Ca -0.01 -1.40 -0.21 0.00 -1.00 0.00 0.00 55.97 53.35 1ugk s LYS 61 Cb -0.02 -1.43 -0.07 0.00 -2.06 0.00 0.00 37.83 34.24 1ugk s LYS 61 CO 0.01 0.30 0.66 0.95 0.10 0.00 0.00 175.35 177.36 1ugk s THR 62 N -1.86 4.60 -0.45 3.79 -4.23 -0.95 -4.94 115.64 111.60 1ugk s THR 62 Ca 0.15 1.36 -0.42 0.00 -1.18 0.00 0.00 61.69 61.60 1ugk s THR 62 Cb -0.07 -3.96 -0.17 0.00 1.34 0.00 0.00 72.50 69.64 1ugk s THR 62 CO 0.07 0.47 2.10 -2.11 -0.54 0.00 0.00 174.62 174.61 1ugk n ARG 63 N 1.46 0.31 -1.99 3.99 1.85 -1.26 -4.61 116.66 116.40 1ugk n ARG 63 Ca -0.07 0.09 -0.39 0.00 -1.00 0.00 0.00 57.85 56.48 1ugk n ARG 63 Cb 0.50 -1.76 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 1ugk n ARG 63 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ugk s VAL 64 N 6.05 3.34 0.80 8.89 0.11 -1.26 -4.85 120.40 133.47 1ugk s VAL 64 Ca 1.16 0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 60.29 1ugk s VAL 64 Cb -1.33 -3.83 0.08 0.00 -1.53 0.00 0.00 36.38 29.77 1ugk s VAL 64 CO 0.63 -0.78 1.17 -0.76 -3.33 0.00 0.00 175.10 172.03 1ugk s LEU 65 N 9.16 3.13 -0.12 2.54 1.43 -1.26 -4.96 118.68 128.61 1ugk s LEU 65 Ca 0.71 2.24 -0.04 0.00 -1.03 0.00 0.00 54.13 56.02 1ugk s LEU 65 Cb -0.14 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 1ugk s LEU 65 CO 0.22 -2.52 0.03 -0.13 0.23 0.00 0.00 176.35 174.18 1ugk s ARG 66 N -4.26 3.31 -0.21 1.70 1.81 -1.26 -4.20 118.95 115.83 1ugk s ARG 66 Ca 0.70 -0.36 -0.11 0.00 -1.72 0.00 0.00 55.73 54.24 1ugk s ARG 66 Cb -0.26 -2.95 0.02 0.00 -0.45 0.00 0.00 34.95 31.31 1ugk s ARG 66 CO 0.51 0.59 0.22 1.63 -0.68 0.00 0.00 175.30 177.57 1ugk n LYS 67 N 2.50 -1.49 -3.15 3.54 5.02 -1.00 -4.95 118.16 118.63 1ugk n LYS 67 Ca -0.18 1.45 0.06 0.00 -2.02 0.00 0.00 58.31 57.61 1ugk n LYS 67 Cb 0.53 -2.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.01 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 -1.39 -0.11 0.36 -0.18 -1.32 -0.11 -4.88 115.64 108.02 1ugk s THR 68 Ca 0.12 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.81 1ugk s THR 68 Cb -0.02 -0.57 0.22 0.00 -1.51 0.00 0.00 72.50 70.62 1ugk s THR 68 CO 0.43 0.00 1.96 -0.07 -2.21 0.00 0.00 174.62 174.73 1ugk h LEU 69 N 7.57 0.00 -6.84 9.08 -0.00 -1.85 -3.27 115.31 119.99 1ugk h LEU 69 Ca -0.11 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.16 1ugk h LEU 69 Cb 1.18 0.00 -0.42 0.00 -0.00 0.00 0.00 40.66 41.42 1ugk h LEU 69 CO -0.18 0.21 -0.60 -0.90 -0.00 0.00 0.00 178.44 176.98 1ugk n ASP 70 N -3.77 3.05 -4.75 -0.43 5.75 -1.26 -3.54 116.55 111.59 1ugk n ASP 70 Ca -0.02 -3.23 -0.41 0.00 -0.01 0.00 0.00 54.79 51.12 1ugk n ASP 70 Cb 0.32 -0.73 -0.04 0.00 -1.03 0.00 0.00 41.12 39.63 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ugk s PRO 71 N -1.65 4.62 -0.44 0.11 0.04 -1.23 -4.90 135.00 131.54 1ugk s PRO 71 Ca 0.29 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1ugk s PRO 71 Cb 0.01 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.43 1ugk s PRO 71 CO -0.13 0.14 0.18 0.00 0.04 0.00 0.00 177.00 177.23 1ugk s ALA 72 N -0.66 2.96 -0.04 8.56 0.00 -1.26 -2.13 121.76 129.19 1ugk s ALA 72 Ca 0.47 -2.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.37 1ugk s ALA 72 Cb -0.31 -2.04 -0.32 0.00 0.00 0.00 0.00 23.12 20.46 1ugk s ALA 72 CO 0.37 -1.90 0.84 0.74 0.00 0.00 0.00 175.76 175.81 1ugk h PHE 73 N 6.97 0.64 -6.96 0.00 0.04 -1.81 -3.48 116.94 112.34 1ugk h PHE 73 Ca -0.06 -0.47 -0.59 0.00 2.80 0.00 0.00 57.97 59.65 1ugk h PHE 73 Cb 0.94 -0.03 -0.23 0.00 2.20 0.00 0.00 35.95 38.83 1ugk h PHE 73 CO 0.49 1.44 -0.92 -3.47 -0.60 0.00 0.00 178.31 175.26 1ugk n ASP 74 N -3.96 -0.79 -4.71 2.17 -0.08 -0.12 -4.91 116.55 104.15 1ugk n ASP 74 Ca -0.18 -1.18 -0.25 0.00 -1.51 0.00 0.00 54.79 51.68 1ugk n ASP 74 Cb 0.92 -2.04 0.10 0.00 2.34 0.00 0.00 41.12 42.44 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ugk s GLU 75 N -7.13 1.79 -0.26 -0.67 0.41 -0.17 -4.81 118.70 107.87 1ugk s GLU 75 Ca 0.37 -0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 54.04 1ugk s GLU 75 Cb -0.21 -2.24 0.08 0.00 -1.78 0.00 0.00 34.13 29.97 1ugk s GLU 75 CO 0.98 -1.42 0.65 0.99 -0.49 0.00 0.00 175.26 175.96 1ugk s THR 76 N -3.22 -0.00 -0.10 3.63 2.01 -1.26 0.31 115.64 117.01 1ugk s THR 76 Ca 0.64 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.70 1ugk s THR 76 Cb -0.07 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1ugk s THR 76 CO 0.45 0.01 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.79 1ugk s PHE 77 N 1.53 2.57 -0.07 4.92 0.08 -1.20 -4.98 117.98 120.82 1ugk s PHE 77 Ca -0.09 -1.06 -0.02 0.00 0.12 0.00 0.00 56.93 55.87 1ugk s PHE 77 Cb -0.05 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1ugk s PHE 77 CO -0.18 -0.43 0.04 0.99 -0.10 0.00 0.00 175.22 175.54 1ugk s THR 78 N 0.36 4.58 -0.03 0.64 2.01 -1.26 -2.56 115.64 119.37 1ugk s THR 78 Ca -0.18 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1ugk s THR 78 Cb -0.18 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1ugk s THR 78 CO 0.08 0.56 0.01 -0.36 -0.69 0.00 0.00 174.62 174.23 1ugk s PHE 79 N -0.97 0.25 0.18 4.92 0.08 -0.72 -4.97 117.98 116.75 1ugk s PHE 79 Ca 0.15 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.27 1ugk s PHE 79 Cb -0.12 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 1ugk s PHE 79 CO 0.05 -0.14 0.32 0.71 -0.10 0.00 0.00 175.22 176.06 1ugk s TYR 80 N 1.19 3.48 0.00 0.36 2.02 -1.26 -1.37 117.35 121.77 1ugk s TYR 80 Ca -0.07 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1ugk s TYR 80 Cb -0.13 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1ugk s TYR 80 CO -0.02 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 1ugk n GLY 81 N -0.73 2.55 3.45 0.71 0.00 -1.25 -5.02 105.19 104.90 1ugk n GLY 81 Ca -0.07 -0.67 -0.61 0.00 0.00 0.00 0.00 46.02 44.67 1ugk n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 82 N 0.00 0.05 -2.50 -0.61 5.41 -1.26 -4.84 119.36 115.61 1ugk n ILE 82 Ca 0.00 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.31 1ugk n ILE 82 Cb 0.00 -0.70 -0.04 0.00 -0.71 0.00 0.00 39.64 38.19 1ugk n ILE 82 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ugk s PRO 83 N 4.96 4.61 0.60 0.38 0.04 -1.26 -4.62 135.00 139.71 1ugk s PRO 83 Ca 1.13 1.75 0.24 0.00 0.04 0.00 0.00 61.00 64.16 1ugk s PRO 83 Cb -1.39 -3.24 1.31 0.00 0.04 0.00 0.00 34.50 31.21 1ugk s PRO 83 CO 0.69 0.12 1.72 -0.92 0.04 0.00 0.00 177.00 178.64 1ugk h TYR 84 N 4.63 0.00 0.00 0.56 3.20 -1.91 1.53 116.97 124.98 1ugk h TYR 84 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ugk h TYR 84 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1ugk h TYR 84 CO 0.61 0.00 -0.06 1.79 -1.64 0.00 0.00 178.16 178.86 1ugk h THR 85 N 0.00 0.00 0.00 1.81 1.35 -1.99 -3.10 112.91 110.98 1ugk h THR 85 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1ugk h THR 85 Cb 0.78 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1ugk h THR 85 CO 0.00 0.00 -0.75 1.67 -0.25 0.00 0.00 175.52 176.19 1ugk n GLN 86 N -3.02 0.27 -0.32 4.72 7.27 0.52 -4.00 117.38 122.82 1ugk n GLN 86 Ca 0.04 0.05 0.08 0.00 0.07 0.00 0.00 57.00 57.24 1ugk n GLN 86 Cb 0.52 -1.64 0.24 0.00 2.41 0.00 0.00 30.24 31.78 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 0.78 0.00 1.69 1.08 -1.39 1.25 117.51 120.92 1ugk h ILE 87 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ugk h ILE 87 Cb 0.72 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1ugk h ILE 87 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 1ugk n GLN 88 N -4.78 0.10 -0.27 2.37 6.02 -1.24 -0.87 117.38 118.71 1ugk n GLN 88 Ca 0.18 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1ugk n GLN 88 Cb 0.43 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.35 2.68 -3.38 -1.09 -0.58 0.43 -3.85 120.64 113.49 1ugk n GLU 89 Ca 0.04 -2.45 -0.20 0.00 -0.42 0.00 0.00 57.16 54.13 1ugk n GLU 89 Cb 0.10 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 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 -0.35 0.00 0.00 -4.62 4.77 -0.05 -4.12 117.00 112.62 1ugk n LEU 90 Ca 0.16 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1ugk n LEU 90 Cb 0.66 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1ugk n LEU 90 CO 0.10 -0.44 0.00 0.00 -1.33 0.00 0.00 177.39 175.71 1ugk n ALA 91 N -2.08 0.00 -2.68 -1.18 0.00 0.24 -2.99 120.51 111.81 1ugk n ALA 91 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1ugk n ALA 91 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 4.32 -0.38 0.00 2.01 -0.76 0.19 118.68 124.06 1ugk s LEU 92 Ca 0.00 1.10 -0.05 0.00 0.01 0.00 0.00 54.13 55.19 1ugk s LEU 92 Cb 0.00 -2.97 0.08 0.00 0.01 0.00 0.00 46.19 43.31 1ugk s LEU 92 CO 0.00 -0.06 0.16 -2.28 1.01 0.00 0.00 176.35 175.18 1ugk s HIS 93 N 0.62 3.42 -0.44 0.29 2.46 -0.61 -0.79 115.29 120.23 1ugk s HIS 93 Ca 0.34 -1.97 -0.18 0.00 0.47 0.00 0.00 55.06 53.72 1ugk s HIS 93 Cb -0.17 -2.81 0.03 0.00 -0.13 0.00 0.00 32.58 29.50 1ugk s HIS 93 CO 0.16 -0.88 0.47 -0.06 -2.47 0.00 0.00 174.74 171.96 1ugk s PHE 94 N 1.26 3.15 -0.26 3.88 0.08 0.15 -3.27 117.98 122.98 1ugk s PHE 94 Ca 0.03 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1ugk s PHE 94 Cb -0.22 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1ugk s PHE 94 CO -0.01 -0.77 0.15 0.99 -0.10 0.00 0.00 175.22 175.47 1ugk s THR 95 N 2.19 5.04 -0.99 0.64 2.01 -0.97 0.31 115.64 123.88 1ugk s THR 95 Ca 0.12 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 1ugk s THR 95 Cb -0.18 -3.37 0.10 0.00 0.01 0.00 0.00 72.50 69.06 1ugk s THR 95 CO 0.13 0.31 1.28 -0.63 -0.69 0.00 0.00 174.62 175.01 1ugk s ILE 96 N 1.47 4.44 0.00 1.82 1.09 -0.72 -1.64 121.20 127.66 1ugk s ILE 96 Ca 0.07 -1.36 0.00 0.00 -1.10 0.00 0.00 60.65 58.26 1ugk s ILE 96 Cb -0.15 -4.90 0.00 0.00 -1.06 0.00 0.00 42.46 36.35 1ugk s ILE 96 CO 0.07 -1.68 0.00 0.18 -0.10 0.00 0.00 174.94 173.41 1ugk n LEU 97 N 7.38 0.00 -3.67 2.97 4.32 -0.90 0.16 117.00 127.27 1ugk n LEU 97 Ca 0.29 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.15 1ugk n LEU 97 Cb 0.49 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.57 -0.33 0.28 -0.55 -1.22 0.00 0.00 177.39 176.15 1ugk s SER 98 N -1.00 -0.64 -0.07 -1.43 0.15 -1.06 -3.05 113.70 106.60 1ugk s SER 98 Ca 0.00 1.21 0.03 0.00 0.70 0.00 0.00 55.95 57.90 1ugk s SER 98 Cb 0.00 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.50 1ugk s SER 98 CO 0.00 -0.21 -0.17 0.12 1.20 0.00 0.00 173.24 174.18 1ugk s PHE 99 N 0.46 2.66 -0.51 3.44 2.19 -0.33 -3.26 117.98 122.64 1ugk s PHE 99 Ca -0.01 -0.40 0.06 0.00 0.33 0.00 0.00 56.93 56.91 1ugk s PHE 99 Cb -0.04 -1.67 0.20 0.00 -1.31 0.00 0.00 43.02 40.20 1ugk s PHE 99 CO -0.01 -0.00 0.78 -0.25 1.83 0.00 0.00 175.22 177.56 1ugk n ASP 100 N 2.74 -3.27 -1.34 6.13 9.92 -1.18 -3.48 116.55 126.07 1ugk n ASP 100 Ca -0.17 -2.90 0.15 0.00 -0.53 0.00 0.00 54.79 51.34 1ugk n ASP 100 Cb 0.52 1.73 -0.08 0.00 -0.64 0.00 0.00 41.12 42.64 1ugk n ASP 100 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ugk n ARG 101 N 2.68 -2.94 -4.12 -1.24 1.74 -1.26 -4.66 116.66 106.86 1ugk n ARG 101 Ca 0.16 2.40 -0.31 0.00 -0.77 0.00 0.00 57.85 59.33 1ugk n ARG 101 Cb 0.58 -3.51 -0.08 0.00 -1.02 0.00 0.00 32.46 28.43 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ugk n PHE 102 N -4.20 -1.07 0.00 -1.55 3.72 -1.26 -3.16 117.46 109.95 1ugk n PHE 102 Ca -0.08 0.56 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1ugk n PHE 102 Cb 0.61 -2.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.03 1ugk n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ugk n SER 103 N -2.31 0.00 -2.63 4.37 7.64 -1.26 -4.80 113.62 114.63 1ugk n SER 103 Ca -0.13 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.70 1ugk n SER 103 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ugk n ARG 104 N 0.00 -4.47 -3.32 1.43 5.12 -1.19 -3.09 116.66 111.15 1ugk n ARG 104 Ca 0.00 3.37 -0.44 0.00 -1.93 0.00 0.00 57.85 58.85 1ugk n ARG 104 Cb 0.00 -4.83 -0.07 0.00 -1.16 0.00 0.00 32.46 26.40 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 -0.62 6.17 -0.64 0.55 1.47 -1.26 -4.15 116.67 118.19 1ugk s ASP 105 Ca -0.27 -1.31 0.02 0.00 1.18 0.00 0.00 52.55 52.17 1ugk s ASP 105 Cb 0.02 -2.21 0.16 0.00 -0.34 0.00 0.00 42.92 40.54 1ugk s ASP 105 CO 0.74 -0.75 0.42 -1.81 0.68 0.00 0.00 175.17 174.46 1ugk s ASP 106 N 2.80 4.84 -0.36 2.11 1.01 -1.20 -4.94 116.67 120.92 1ugk s ASP 106 Ca 0.06 -3.31 -0.28 0.00 0.71 0.00 0.00 52.55 49.73 1ugk s ASP 106 Cb -0.24 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 1ugk s ASP 106 CO 0.07 -0.21 1.93 -0.63 0.21 0.00 0.00 175.17 176.54 1ugk s ILE 107 N -0.72 3.34 0.12 0.77 1.01 -1.26 -2.55 121.20 121.91 1ugk s ILE 107 Ca 0.20 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 1ugk s ILE 107 Cb -0.17 -3.53 -0.18 0.00 0.01 0.00 0.00 42.46 38.60 1ugk s ILE 107 CO -0.07 -0.38 1.30 0.40 0.00 0.00 0.00 174.94 176.19 1ugk h ILE 108 N 6.95 1.34 -2.51 2.92 2.04 0.13 -3.48 117.51 124.90 1ugk h ILE 108 Ca -0.33 -2.25 0.17 0.00 1.00 0.00 0.00 64.86 63.45 1ugk h ILE 108 Cb 1.19 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 39.50 1ugk h ILE 108 CO 1.06 0.69 0.60 0.61 0.00 0.00 0.00 178.15 181.11 1ugk n GLY 109 N 0.86 0.58 3.02 5.37 0.00 -1.08 -4.74 105.19 109.20 1ugk n GLY 109 Ca -0.07 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.05 0.83 0.07 1.61 2.02 -1.25 -1.76 118.70 118.17 1ugk s GLU 110 Ca 0.23 -0.32 0.04 0.00 0.02 0.00 0.00 54.97 54.94 1ugk s GLU 110 Cb -0.03 -0.79 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 1ugk s GLU 110 CO 0.05 0.17 -0.12 0.08 0.02 0.00 0.00 175.26 175.45 1ugk s VAL 111 N -0.06 0.99 -0.08 2.63 1.01 0.15 -4.55 120.40 120.49 1ugk s VAL 111 Ca 0.01 -1.31 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 1ugk s VAL 111 Cb -0.05 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ugk s VAL 111 CO -0.00 -0.30 0.30 -0.22 0.00 0.00 0.00 175.10 174.88 1ugk s LEU 112 N -1.81 0.87 -0.30 3.92 2.96 -1.26 -0.68 118.68 122.38 1ugk s LEU 112 Ca -0.02 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1ugk s LEU 112 Cb -0.09 1.10 0.11 0.00 0.50 0.00 0.00 46.19 47.81 1ugk s LEU 112 CO 0.02 -0.22 0.15 -0.51 -1.32 0.00 0.00 176.35 174.47 1ugk s ILE 113 N -0.36 -0.05 0.01 6.68 1.10 0.03 -4.98 121.20 123.62 1ugk s ILE 113 Ca -0.05 -0.92 -0.30 0.00 -0.51 0.00 0.00 60.65 58.87 1ugk s ILE 113 Cb -0.03 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.53 1ugk s ILE 113 CO 0.02 -0.76 1.19 -2.16 -2.11 0.00 0.00 174.94 171.11 1ugk s PRO 114 N 1.92 4.41 -0.05 3.50 0.04 -1.26 -1.84 135.00 141.72 1ugk s PRO 114 Ca 0.11 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1ugk s PRO 114 Cb -0.17 -3.44 0.28 0.00 0.04 0.00 0.00 34.50 31.20 1ugk s PRO 114 CO -0.30 -0.32 1.09 1.28 0.04 0.00 0.00 177.00 178.78 1ugk n LEU 115 N 4.46 2.17 -2.61 -3.56 4.77 -1.16 -4.51 117.00 116.56 1ugk n LEU 115 Ca 0.10 -1.09 -0.20 0.00 -0.03 0.00 0.00 56.01 54.78 1ugk n LEU 115 Cb 0.47 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1ugk n LEU 115 CO 0.55 0.38 2.13 -0.24 -1.33 0.00 0.00 177.39 178.88 1ugk n SER 116 N 0.28 5.64 0.00 -1.43 2.88 -1.25 -2.79 113.62 116.95 1ugk n SER 116 Ca 0.10 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 1ugk n SER 116 Cb 0.43 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 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 3.06 0.30 3.42 0.46 0.00 -1.26 -5.03 105.19 106.13 1ugk n GLY 117 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 1ugk n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 118 N 0.00 0.00 -3.40 -0.61 2.08 -1.12 -5.02 119.36 111.29 1ugk n ILE 118 Ca 0.00 -0.24 -0.16 0.00 0.56 0.00 0.00 62.75 62.91 1ugk n ILE 118 Cb 0.00 -0.73 -0.10 0.00 -0.75 0.00 0.00 39.64 38.07 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ugk s GLU 119 N -3.83 0.31 -0.62 0.38 2.02 -1.26 -4.95 118.70 110.74 1ugk s GLU 119 Ca 0.60 0.00 -0.00 0.00 0.02 0.00 0.00 54.97 55.59 1ugk s GLU 119 Cb -0.19 -0.71 0.44 0.00 0.10 0.00 0.00 34.13 33.77 1ugk s GLU 119 CO 0.65 -0.93 1.85 1.28 0.02 0.00 0.00 175.26 178.13 1ugk n LEU 120 N 5.32 7.07 -3.55 1.80 7.99 -1.26 -4.75 117.00 129.62 1ugk n LEU 120 Ca -0.03 -4.49 -0.44 0.00 -0.01 0.00 0.00 56.01 51.04 1ugk n LEU 120 Cb 0.47 -0.86 -0.09 0.00 -0.11 0.00 0.00 43.42 42.84 1ugk n LEU 120 CO 0.02 1.66 1.78 -1.54 -1.51 0.00 0.00 177.39 177.80 1ugk n SER 121 N -0.81 1.71 0.00 -1.43 3.41 -1.26 -3.58 113.62 111.67 1ugk n SER 121 Ca 0.57 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1ugk n SER 121 Cb 0.65 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1ugk n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugk n GLU 122 N 7.50 -1.32 -4.03 4.33 1.02 -1.26 -4.94 120.64 121.94 1ugk n GLU 122 Ca 0.48 0.33 -0.34 0.00 -0.02 0.00 0.00 57.16 57.61 1ugk n GLU 122 Cb 0.41 -4.40 -0.15 0.00 -0.02 0.00 0.00 31.44 27.28 1ugk n GLU 122 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ugk s GLY 123 N -2.00 1.56 -0.23 0.62 0.00 -1.23 -5.06 107.32 100.97 1ugk s GLY 123 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 1ugk s GLY 123 CO 0.00 0.46 0.90 1.25 0.00 0.00 0.00 173.10 175.71 1ugk s LYS 124 N 1.28 4.22 -0.01 2.90 2.20 -1.26 -4.44 119.74 124.63 1ugk s LYS 124 Ca 0.00 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.74 1ugk s LYS 124 Cb -0.16 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 1ugk s LYS 124 CO -0.07 -0.54 -0.11 0.00 -0.36 0.00 0.00 175.35 174.27 1ugk s MET 125 N 2.89 2.45 0.03 4.03 0.23 -1.16 -4.98 119.30 122.79 1ugk s MET 125 Ca 0.38 -0.76 -0.16 0.00 -1.03 0.00 0.00 55.69 54.12 1ugk s MET 125 Cb -0.15 -2.41 -0.06 0.00 -1.53 0.00 0.00 34.83 30.68 1ugk s MET 125 CO 0.07 0.60 0.46 -1.17 -2.03 0.00 0.00 175.02 172.95 1ugk s LEU 126 N -1.20 4.48 0.04 0.18 1.98 -1.26 -2.29 118.68 120.61 1ugk s LEU 126 Ca 0.15 1.05 -0.03 0.00 -2.89 0.00 0.00 54.13 52.41 1ugk s LEU 126 Cb -0.11 -2.71 -0.02 0.00 0.66 0.00 0.00 46.19 44.01 1ugk s LEU 126 CO 0.05 0.30 0.03 -0.04 -1.89 0.00 0.00 176.35 174.80 1ugk s MET 127 N -1.14 0.55 0.19 1.98 -1.94 0.83 -4.99 119.30 114.78 1ugk s MET 127 Ca 0.26 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 1ugk s MET 127 Cb -0.17 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.82 1ugk s MET 127 CO 0.15 -0.12 0.04 0.54 -0.01 0.00 0.00 175.02 175.62 1ugk s ASN 128 N -2.30 1.02 -0.04 3.03 4.22 -1.26 -1.20 114.94 118.42 1ugk s ASN 128 Ca -0.03 -1.24 -0.12 0.00 -2.14 0.00 0.00 52.86 49.33 1ugk s ASN 128 Cb 0.00 0.17 0.02 0.00 1.28 0.00 0.00 41.25 42.72 1ugk s ASN 128 CO -0.06 -0.65 0.28 -0.13 -2.04 0.00 0.00 177.10 174.50 1ugk s ARG 129 N -3.98 0.54 -0.03 3.55 1.81 0.37 -4.95 118.95 116.26 1ugk s ARG 129 Ca 0.28 -0.03 -0.14 0.00 -1.72 0.00 0.00 55.73 54.13 1ugk s ARG 129 Cb 0.07 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.76 1ugk s ARG 129 CO 0.07 -0.13 0.36 -1.83 -0.68 0.00 0.00 175.30 173.09 1ugk s GLU 130 N -0.86 3.88 -0.29 3.54 -1.05 -1.26 0.60 118.70 123.26 1ugk s GLU 130 Ca -0.09 0.31 -0.11 0.00 -0.15 0.00 0.00 54.97 54.92 1ugk s GLU 130 Cb -0.05 -3.24 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 1ugk s GLU 130 CO 0.03 0.65 0.19 0.42 0.95 0.00 0.00 175.26 177.50 1ugk s ILE 131 N -0.90 5.21 0.10 1.83 1.01 0.12 -4.85 121.20 123.71 1ugk s ILE 131 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1ugk s ILE 131 Cb -0.16 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1ugk s ILE 131 CO 0.11 0.19 0.02 2.30 0.00 0.00 0.00 174.94 177.56 1ugk n ILE 132 N 5.06 0.00 -2.58 2.92 -6.64 -1.26 -3.16 119.36 113.70 1ugk n ILE 132 Ca -0.14 -0.53 -0.43 0.00 -1.77 0.00 0.00 62.75 59.88 1ugk n ILE 132 Cb 0.51 0.17 0.00 0.00 -1.44 0.00 0.00 39.64 38.88 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 -1.73 5.02 -1.44 7.28 2.88 -1.26 -3.88 113.62 120.49 1ugk n SER 133 Ca -0.02 -3.00 0.12 0.00 -1.33 0.00 0.00 58.87 54.64 1ugk n SER 133 Cb 0.14 -1.57 -0.07 0.00 -0.75 0.00 0.00 64.21 61.96 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 3.80 -3.58 3.77 0.46 0.00 -1.26 -4.84 105.19 103.54 1ugk n GLY 134 Ca 0.41 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1ugk n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugk s PRO 135 N -4.61 4.34 -0.68 1.61 0.04 -1.26 -5.01 135.00 129.43 1ugk s PRO 135 Ca 0.00 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 135 Cb 0.00 -2.78 0.17 0.00 0.04 0.00 0.00 34.50 31.93 1ugk s PRO 135 CO 0.00 -0.01 0.50 -1.12 0.04 0.00 0.00 177.00 176.42 1ugk s SER 136 N -1.32 5.37 0.25 6.66 0.01 -1.26 -4.94 113.70 118.47 1ugk s SER 136 Ca 0.53 -3.02 0.00 0.00 1.31 0.00 0.00 55.95 54.77 1ugk s SER 136 Cb -0.26 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1ugk s SER 136 CO 0.32 -0.34 0.00 -0.24 0.41 0.00 0.00 173.24 173.40 1ugk n SER 137 N 3.28 -8.27 0.00 2.44 2.88 -1.26 -5.29 113.62 107.39 1ugk n SER 137 Ca 0.10 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1ugk n SER 137 Cb 0.38 -4.44 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42