#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk s SER 2 N 0.00 3.91 0.00 1.61 0.01 -1.26 -5.08 113.70 112.89 1ugk s SER 2 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ugk s SER 2 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1ugk s SER 2 CO 0.00 0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.75 1ugk n SER 3 N 1.89 0.00 0.00 2.44 7.64 -1.26 -5.10 113.62 119.23 1ugk n SER 3 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ugk n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 1.62 1.12 0.23 0.00 -1.26 -4.99 105.19 101.92 1ugk n GLY 4 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 10.71 -6.19 0.00 1.61 2.88 -1.26 -5.04 113.62 116.33 1ugk n SER 5 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1ugk n SER 5 Cb 0.00 -3.84 0.00 0.00 -0.75 0.00 0.00 64.21 59.62 1ugk n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugk n SER 6 N -3.84 0.00 0.00 -3.46 7.64 -1.26 -5.15 113.62 107.55 1ugk n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ugk n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 -0.60 0.05 0.23 0.00 -1.26 -5.04 105.19 98.57 1ugk n GLY 7 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.61 0.00 0.00 0.99 4.77 -1.24 -4.95 117.00 115.95 1ugk n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ugk n LEU 8 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1ugk n LEU 8 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1ugk n GLY 9 N 1.63 -1.29 3.55 -0.72 0.00 -1.17 -4.10 105.19 103.09 1ugk n GLY 9 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.91 1.59 -0.06 2.61 2.01 -0.74 0.08 115.64 118.23 1ugk s THR 10 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1ugk s THR 10 Cb 0.00 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1ugk s THR 10 CO 0.00 0.00 0.02 -0.22 -0.69 0.00 0.00 174.62 173.73 1ugk s LEU 11 N -3.62 0.57 -0.06 4.42 1.98 -0.08 -3.51 118.68 118.37 1ugk s LEU 11 Ca 0.34 -0.03 -0.02 0.00 -2.89 0.00 0.00 54.13 51.53 1ugk s LEU 11 Cb 0.09 -0.33 -0.04 0.00 0.66 0.00 0.00 46.19 46.57 1ugk s LEU 11 CO 0.16 -0.19 0.04 -0.36 -1.89 0.00 0.00 176.35 174.11 1ugk s PHE 12 N 1.86 3.25 0.16 5.38 0.08 -0.84 -1.59 117.98 126.27 1ugk s PHE 12 Ca 0.02 0.24 -0.24 0.00 0.12 0.00 0.00 56.93 57.07 1ugk s PHE 12 Cb -0.12 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.61 1ugk s PHE 12 CO -0.04 0.53 1.03 -0.59 -0.10 0.00 0.00 175.22 176.05 1ugk s PHE 13 N -1.00 -0.01 -0.19 0.36 -0.71 -0.44 -1.21 117.98 114.79 1ugk s PHE 13 Ca 0.16 -0.34 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 1ugk s PHE 13 Cb -0.12 0.67 0.08 0.00 -1.21 0.00 0.00 43.02 42.44 1ugk s PHE 13 CO 0.06 -0.85 0.40 -1.54 -1.34 0.00 0.00 175.22 171.95 1ugk s SER 14 N -3.21 -0.25 0.48 1.98 1.04 -0.80 0.03 113.70 112.98 1ugk s SER 14 Ca 0.18 0.93 -0.18 0.00 0.48 0.00 0.00 55.95 57.36 1ugk s SER 14 Cb -0.02 1.17 -0.09 0.00 0.10 0.00 0.00 66.02 67.18 1ugk s SER 14 CO 0.04 -0.22 0.97 -0.76 0.98 0.00 0.00 173.24 174.24 1ugk s LEU 15 N 2.34 3.75 -0.28 2.42 2.01 -0.96 -2.45 118.68 125.51 1ugk s LEU 15 Ca -0.03 1.61 -0.17 0.00 0.01 0.00 0.00 54.13 55.55 1ugk s LEU 15 Cb -0.11 -4.51 0.08 0.00 0.01 0.00 0.00 46.19 41.66 1ugk s LEU 15 CO -0.12 -0.49 0.68 -0.70 1.01 0.00 0.00 176.35 176.73 1ugk s GLU 16 N -3.71 0.71 -0.19 1.70 2.12 0.33 -2.67 118.70 116.98 1ugk s GLU 16 Ca 0.60 1.19 -0.09 0.00 0.36 0.00 0.00 54.97 57.03 1ugk s GLU 16 Cb -0.10 0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 1ugk s GLU 16 CO 0.24 -0.15 0.10 -0.47 -0.54 0.00 0.00 175.26 174.45 1ugk s TYR 17 N 1.51 3.35 -1.57 5.30 5.04 -1.26 0.19 117.35 129.91 1ugk s TYR 17 Ca -0.09 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.67 1ugk s TYR 17 Cb -0.05 -2.13 -0.08 0.00 0.35 0.00 0.00 41.96 40.06 1ugk s TYR 17 CO -0.18 0.24 2.85 -1.71 -1.34 0.00 0.00 175.55 175.42 1ugk n ASN 18 N 3.51 8.11 -0.33 4.32 5.15 0.52 -4.70 115.26 131.83 1ugk n ASN 18 Ca -0.16 -2.58 0.09 0.00 -0.60 0.00 0.00 54.58 51.33 1ugk n ASN 18 Cb 0.52 -1.54 0.21 0.00 -0.53 0.00 0.00 39.78 38.44 1ugk n ASN 18 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1ugk h PHE 19 N 5.18 -0.25 -0.84 1.20 0.04 -1.93 1.22 116.94 121.56 1ugk h PHE 19 Ca 0.83 0.08 0.08 0.00 2.80 0.00 0.00 57.97 61.76 1ugk h PHE 19 Cb 0.31 0.26 -0.11 0.00 2.20 0.00 0.00 35.95 38.61 1ugk h PHE 19 CO 1.85 -0.40 -0.58 1.49 -0.60 0.00 0.00 178.31 180.07 1ugk h GLU 20 N 0.01 -0.10 -0.70 1.51 4.81 -1.94 0.30 114.58 118.47 1ugk h GLU 20 Ca 0.52 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.52 1ugk h GLU 20 Cb 0.95 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.21 1ugk h GLU 20 CO -0.93 -0.07 0.27 0.54 -0.73 0.00 0.00 179.01 178.09 1ugk n ARG 21 N -5.29 3.24 -3.93 1.92 1.74 0.33 -4.95 116.66 109.73 1ugk n ARG 21 Ca 0.01 -3.07 -0.36 0.00 -0.77 0.00 0.00 57.85 53.65 1ugk n ARG 21 Cb 0.28 -2.14 0.01 0.00 -1.02 0.00 0.00 32.46 29.60 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 -0.44 -0.72 -4.43 5.56 4.76 0.40 -4.83 118.16 118.45 1ugk n LYS 22 Ca 0.41 0.28 -0.23 0.00 -2.87 0.00 0.00 58.31 55.90 1ugk n LYS 22 Cb 1.35 -2.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.35 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 -3.35 2.52 0.00 7.82 0.00 0.16 -4.20 121.76 124.71 1ugk s ALA 23 Ca 0.28 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.79 1ugk s ALA 23 Cb -0.16 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1ugk s ALA 23 CO 0.87 -0.43 -0.21 0.12 0.00 0.00 0.00 175.76 176.11 1ugk s PHE 24 N -3.33 2.47 -0.09 0.00 5.36 0.20 0.19 117.98 122.78 1ugk s PHE 24 Ca 0.30 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1ugk s PHE 24 Cb 0.03 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.24 1ugk s PHE 24 CO 0.18 0.12 -0.06 0.08 -1.46 0.00 0.00 175.22 174.07 1ugk s VAL 25 N -0.76 0.87 -0.49 3.12 1.01 0.50 -0.03 120.40 124.63 1ugk s VAL 25 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1ugk s VAL 25 Cb -0.10 -0.91 0.13 0.00 0.00 0.00 0.00 36.38 35.50 1ugk s VAL 25 CO 0.02 0.33 0.28 -0.69 0.00 0.00 0.00 175.10 175.04 1ugk s VAL 26 N 1.57 3.23 -0.14 2.92 1.01 -0.82 -0.51 120.40 127.66 1ugk s VAL 26 Ca 0.01 -2.57 -0.27 0.00 0.00 0.00 0.00 61.98 59.16 1ugk s VAL 26 Cb -0.13 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1ugk s VAL 26 CO -0.06 -0.76 0.89 0.21 0.00 0.00 0.00 175.10 175.38 1ugk s ASN 27 N 1.05 7.06 -0.44 3.32 3.04 -1.03 -2.65 114.94 125.30 1ugk s ASN 27 Ca 0.13 1.30 -0.10 0.00 0.04 0.00 0.00 52.86 54.23 1ugk s ASN 27 Cb -0.22 -2.49 0.09 0.00 -1.54 0.00 0.00 41.25 37.09 1ugk s ASN 27 CO -0.04 -0.40 0.29 -0.63 -3.04 0.00 0.00 177.10 173.29 1ugk s ILE 28 N 2.02 4.34 0.00 -5.21 1.01 0.30 -1.90 121.20 121.76 1ugk s ILE 28 Ca 0.42 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1ugk s ILE 28 Cb -0.17 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1ugk s ILE 28 CO 0.15 -0.57 0.00 1.17 0.00 0.00 0.00 174.94 175.68 1ugk n LYS 29 N 4.95 2.27 -4.27 2.79 4.81 -0.35 0.69 118.16 129.04 1ugk n LYS 29 Ca -0.10 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.06 1ugk n LYS 29 Cb 0.42 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1ugk s GLU 30 N 0.00 2.22 -0.10 1.64 -1.05 -1.24 -1.01 118.70 119.16 1ugk s GLU 30 Ca 0.00 -2.11 0.01 0.00 -0.15 0.00 0.00 54.97 52.72 1ugk s GLU 30 Cb 0.00 -1.86 0.02 0.00 -0.44 0.00 0.00 34.13 31.85 1ugk s GLU 30 CO 0.00 -0.39 -0.11 0.00 0.95 0.00 0.00 175.26 175.70 1ugk s ALA 31 N -2.77 1.42 -0.06 -0.84 0.00 -0.84 -1.99 121.76 116.68 1ugk s ALA 31 Ca 0.26 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1ugk s ALA 31 Cb 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1ugk s ALA 31 CO 0.15 -0.14 -0.07 1.03 0.00 0.00 0.00 175.76 176.73 1ugk s ARG 32 N 1.14 2.72 0.00 0.00 0.52 -1.23 -3.74 118.95 118.35 1ugk s ARG 32 Ca -0.05 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1ugk s ARG 32 Cb -0.14 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1ugk s ARG 32 CO -0.02 0.66 0.00 0.41 0.02 0.00 0.00 175.30 176.36 1ugk n GLY 33 N 2.12 -0.12 3.20 -3.53 0.00 -1.26 -1.78 105.19 103.82 1ugk n GLY 33 Ca -0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.36 2.60 0.02 0.99 1.43 -1.19 -3.04 118.68 118.11 1ugk s LEU 34 Ca 0.00 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 1ugk s LEU 34 Cb 0.00 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1ugk s LEU 34 CO 0.00 -0.03 1.19 -2.16 0.23 0.00 0.00 176.35 175.58 1ugk s PRO 35 N 1.36 4.41 0.42 1.29 0.04 -1.26 -4.84 135.00 136.42 1ugk s PRO 35 Ca 0.04 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1ugk s PRO 35 Cb -0.14 -3.43 -0.11 0.00 0.04 0.00 0.00 34.50 30.86 1ugk s PRO 35 CO -0.08 -0.31 0.87 0.00 0.04 0.00 0.00 177.00 177.52 1ugk n ALA 36 N 4.35 -0.37 -0.01 8.56 0.00 -1.26 -4.91 120.51 126.87 1ugk n ALA 36 Ca 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 1ugk n ALA 36 Cb 0.47 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 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 0.26 2.05 -3.01 0.00 2.81 -1.26 -5.06 117.12 112.91 1ugk n MET 37 Ca 0.10 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.81 1ugk n MET 37 Cb 0.39 -1.03 0.01 0.00 -0.71 0.00 0.00 33.22 31.88 1ugk n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ugk s ASP 38 N -3.60 5.64 -0.61 7.83 -1.08 -1.25 -5.05 116.67 118.54 1ugk s ASP 38 Ca -0.01 -0.26 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 1ugk s ASP 38 Cb 0.00 -0.84 0.30 0.00 -1.46 0.00 0.00 42.92 40.92 1ugk s ASP 38 CO 0.04 -0.78 0.85 -0.62 0.52 0.00 0.00 175.17 175.18 1ugk n GLU 39 N -1.93 2.90 0.00 4.34 -0.58 -1.26 -4.62 120.64 119.49 1ugk n GLU 39 Ca 0.06 -4.77 -0.00 0.00 -0.42 0.00 0.00 57.16 52.03 1ugk n GLU 39 Cb 0.59 -2.25 -0.00 0.00 -0.57 0.00 0.00 31.44 29.21 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 0.28 0.00 -2.53 3.49 6.02 -1.26 -4.93 117.38 118.45 1ugk n GLN 40 Ca 0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1ugk n GLN 40 Cb 0.40 -0.12 0.05 0.00 1.02 0.00 0.00 30.24 31.59 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 -2.55 1.92 -3.21 1.08 2.88 -1.26 -4.96 113.62 107.52 1ugk n SER 41 Ca -0.00 -2.27 -0.23 0.00 -1.33 0.00 0.00 58.87 55.04 1ugk n SER 41 Cb 0.00 -0.44 0.03 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.49 -4.76 -4.18 -1.46 1.56 -1.26 -4.96 117.12 101.56 1ugk n MET 42 Ca 0.12 0.77 -0.22 0.00 -0.27 0.00 0.00 57.70 58.09 1ugk n MET 42 Cb 0.86 -5.60 -0.07 0.00 2.15 0.00 0.00 33.22 30.56 1ugk n MET 42 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1ugk n THR 43 N -4.40 0.00 -3.84 1.12 5.66 -1.26 -4.83 114.28 106.72 1ugk n THR 43 Ca -0.07 -2.19 -0.05 0.00 -3.05 0.00 0.00 64.05 58.69 1ugk n THR 43 Cb 0.59 0.84 0.01 0.00 -1.55 0.00 0.00 70.33 70.22 1ugk n THR 43 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ugk s SER 44 N -3.28 -0.03 -0.53 1.09 1.04 -1.26 -3.93 113.70 106.79 1ugk s SER 44 Ca 0.22 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.95 1ugk s SER 44 Cb 0.01 0.61 0.31 0.00 0.10 0.00 0.00 66.02 67.05 1ugk s SER 44 CO 0.15 -1.20 0.80 0.47 0.98 0.00 0.00 173.24 174.44 1ugk n ASP 45 N -1.13 3.05 -4.81 7.02 8.00 -1.26 0.19 116.55 127.60 1ugk n ASP 45 Ca -0.05 -3.37 -0.32 0.00 0.71 0.00 0.00 54.79 51.76 1ugk n ASP 45 Cb 0.60 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.72 3.20 -0.15 -0.24 0.04 -1.26 -2.95 135.00 130.93 1ugk s PRO 46 Ca 0.43 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 1ugk s PRO 46 Cb 0.24 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.83 1ugk s PRO 46 CO -0.09 -0.89 0.65 1.52 0.04 0.00 0.00 177.00 178.22 1ugk s TYR 47 N -2.72 -0.66 0.15 0.56 1.13 0.27 -4.01 117.35 112.08 1ugk s TYR 47 Ca 0.61 1.39 -0.11 0.00 -1.41 0.00 0.00 57.07 57.55 1ugk s TYR 47 Cb -0.15 0.31 -0.07 0.00 -1.10 0.00 0.00 41.96 40.96 1ugk s TYR 47 CO 0.44 -0.47 0.50 0.42 -2.51 0.00 0.00 175.55 173.93 1ugk s ILE 48 N -0.44 4.97 -0.13 -3.49 1.01 -1.26 -2.01 121.20 119.85 1ugk s ILE 48 Ca -0.06 0.55 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1ugk s ILE 48 Cb -0.03 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1ugk s ILE 48 CO 0.05 0.14 -0.17 -0.54 0.00 0.00 0.00 174.94 174.42 1ugk s LYS 49 N -2.26 3.24 0.07 2.79 1.02 -0.97 -3.78 119.74 119.85 1ugk s LYS 49 Ca 0.40 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 1ugk s LYS 49 Cb -0.13 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1ugk s LYS 49 CO 0.20 0.15 0.34 1.41 -0.92 0.00 0.00 175.35 176.53 1ugk s MET 50 N 0.47 3.64 -0.24 1.68 1.75 0.12 -2.34 119.30 124.39 1ugk s MET 50 Ca -0.12 -0.02 -0.15 0.00 -1.25 0.00 0.00 55.69 54.16 1ugk s MET 50 Cb -0.16 -2.98 0.07 0.00 2.84 0.00 0.00 34.83 34.59 1ugk s MET 50 CO 0.05 0.57 0.59 0.99 -0.65 0.00 0.00 175.02 176.56 1ugk s THR 51 N -1.44 -0.01 -0.58 10.11 2.01 -1.22 -2.19 115.64 122.32 1ugk s THR 51 Ca 0.33 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.15 1ugk s THR 51 Cb -0.13 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1ugk s THR 51 CO 0.20 0.01 0.84 -0.63 -0.69 0.00 0.00 174.62 174.35 1ugk s ILE 52 N 1.37 4.54 0.39 1.82 1.01 -0.82 -1.86 121.20 127.65 1ugk s ILE 52 Ca -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1ugk s ILE 52 Cb -0.06 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 1ugk s ILE 52 CO -0.15 -1.15 0.66 -0.76 0.00 0.00 0.00 174.94 173.54 1ugk s LEU 53 N 3.51 3.86 0.05 2.97 1.43 0.47 0.23 118.68 131.20 1ugk s LEU 53 Ca 0.22 0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 1ugk s LEU 53 Cb -0.17 -3.66 -0.21 0.00 0.03 0.00 0.00 46.19 42.18 1ugk s LEU 53 CO 0.13 -0.39 1.18 1.55 0.23 0.00 0.00 176.35 179.05 1ugk h PRO 54 N 0.83 0.57 0.00 1.29 0.13 -1.84 -0.36 132.00 132.62 1ugk h PRO 54 Ca -0.48 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.09 1ugk h PRO 54 Cb 1.20 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ugk h PRO 54 CO 0.63 1.18 0.00 -0.85 -0.23 0.00 0.00 178.00 178.73 1ugk n GLU 55 N -4.08 0.00 -0.91 0.86 0.28 -1.23 -4.63 120.64 110.93 1ugk n GLU 55 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1ugk n GLU 55 Cb 0.73 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.60 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 -2.08 0.00 0.00 3.44 4.81 0.64 -4.95 118.16 120.02 1ugk n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ugk n LYS 56 Cb 0.00 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1ugk n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ugk n LYS 57 N -2.54 0.00 -1.53 1.64 4.76 -1.25 -4.44 118.16 114.80 1ugk n LYS 57 Ca 0.00 0.25 -0.26 0.00 -2.87 0.00 0.00 58.31 55.44 1ugk n LYS 57 Cb 0.00 -1.07 -0.13 0.00 -1.84 0.00 0.00 35.03 31.99 1ugk n LYS 57 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ugk n HIS 58 N -1.26 0.75 -3.99 2.13 8.25 -1.26 -4.85 115.22 114.98 1ugk n HIS 58 Ca 0.00 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 1ugk n HIS 58 Cb 0.00 -1.94 -0.15 0.00 1.12 0.00 0.00 29.99 29.02 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 8.24 3.00 0.16 -0.41 1.02 -1.26 -1.95 119.74 128.53 1ugk s LYS 59 Ca 1.14 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 56.29 1ugk s LYS 59 Cb -0.58 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1ugk s LYS 59 CO 0.34 -0.30 -0.02 0.14 -0.92 0.00 0.00 175.35 174.59 1ugk s VAL 60 N 1.35 0.74 0.18 3.17 -7.23 -0.93 -5.02 120.40 112.66 1ugk s VAL 60 Ca 0.03 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1ugk s VAL 60 Cb -0.15 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1ugk s VAL 60 CO -0.07 -0.58 0.35 -1.59 -0.31 0.00 0.00 175.10 172.90 1ugk s LYS 61 N -3.88 1.26 -0.04 4.82 -2.85 -1.26 0.15 119.74 117.94 1ugk s LYS 61 Ca 0.21 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 1ugk s LYS 61 Cb 0.06 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 1ugk s LYS 61 CO 0.02 -0.49 -0.02 -0.08 0.10 0.00 0.00 175.35 174.88 1ugk s THR 62 N -3.96 4.05 -0.76 3.79 -1.32 -1.25 -5.00 115.64 111.19 1ugk s THR 62 Ca 0.17 -0.48 -0.37 0.00 -1.21 0.00 0.00 61.69 59.80 1ugk s THR 62 Cb 0.02 -2.73 -0.20 0.00 -1.51 0.00 0.00 72.50 68.07 1ugk s THR 62 CO 0.01 0.50 2.44 -2.11 -2.21 0.00 0.00 174.62 173.25 1ugk n ARG 63 N 1.83 0.05 -1.55 7.08 1.85 -1.26 -4.69 116.66 119.97 1ugk n ARG 63 Ca -0.17 0.01 -0.37 0.00 -1.00 0.00 0.00 57.85 56.32 1ugk n ARG 63 Cb 0.53 -1.56 -0.04 0.00 -1.05 0.00 0.00 32.46 30.34 1ugk n ARG 63 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1ugk n VAL 64 N 7.07 -0.03 -1.58 8.89 3.14 -1.26 -4.88 118.33 129.67 1ugk n VAL 64 Ca 0.60 -0.70 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1ugk n VAL 64 Cb 0.01 -2.58 0.05 0.00 -1.06 0.00 0.00 33.84 30.26 1ugk n VAL 64 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ugk n LEU 65 N 15.01 2.96 -4.80 6.55 4.77 -1.26 -4.93 117.00 135.30 1ugk n LEU 65 Ca 0.39 0.81 -0.36 0.00 -0.03 0.00 0.00 56.01 56.82 1ugk n LEU 65 Cb 0.49 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 1ugk n LEU 65 CO 0.72 -2.08 -0.20 -0.13 -1.33 0.00 0.00 177.39 174.37 1ugk s ARG 66 N -2.54 3.51 -0.05 3.23 1.81 -1.26 -4.09 118.95 119.55 1ugk s ARG 66 Ca 0.73 -0.21 -0.01 0.00 -1.72 0.00 0.00 55.73 54.52 1ugk s ARG 66 Cb -0.44 -3.15 0.00 0.00 -0.45 0.00 0.00 34.95 30.91 1ugk s ARG 66 CO 0.49 0.65 0.01 1.63 -0.68 0.00 0.00 175.30 177.41 1ugk n LYS 67 N 2.36 -1.18 -3.16 3.54 5.02 -0.46 -4.92 118.16 119.35 1ugk n LYS 67 Ca -0.19 1.31 0.05 0.00 -2.02 0.00 0.00 58.31 57.46 1ugk n LYS 67 Cb 0.54 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.85 -0.09 -0.29 -0.18 -1.32 0.13 -4.83 115.64 108.20 1ugk s THR 68 Ca -0.02 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.74 1ugk s THR 68 Cb 0.00 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 1ugk s THR 68 CO 0.16 0.00 1.79 -0.07 -2.21 0.00 0.00 174.62 174.28 1ugk h LEU 69 N 7.80 0.00 -6.36 9.08 3.38 -1.89 -3.34 115.31 123.98 1ugk h LEU 69 Ca -0.11 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 1ugk h LEU 69 Cb 1.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 1ugk h LEU 69 CO -0.16 0.00 -0.85 -0.90 0.09 0.00 0.00 178.44 176.62 1ugk n ASP 70 N -2.84 1.35 -4.76 -0.43 5.75 -1.26 -3.19 116.55 111.17 1ugk n ASP 70 Ca 0.03 -2.87 -0.40 0.00 -0.01 0.00 0.00 54.79 51.53 1ugk n ASP 70 Cb 0.39 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.18 4.66 -0.36 0.11 0.04 -1.25 -4.90 135.00 132.12 1ugk s PRO 71 Ca 0.33 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1ugk s PRO 71 Cb 0.09 -3.20 0.10 0.00 0.04 0.00 0.00 34.50 31.53 1ugk s PRO 71 CO -0.13 0.24 0.08 0.00 0.04 0.00 0.00 177.00 177.24 1ugk s ALA 72 N -1.12 2.88 -0.10 8.56 0.00 -1.26 -1.98 121.76 128.73 1ugk s ALA 72 Ca 0.44 -2.60 -0.26 0.00 0.00 0.00 0.00 51.96 49.55 1ugk s ALA 72 Cb -0.31 -1.98 -0.28 0.00 0.00 0.00 0.00 23.12 20.55 1ugk s ALA 72 CO 0.40 -1.74 0.82 0.74 0.00 0.00 0.00 175.76 175.98 1ugk h PHE 73 N 7.47 0.25 -7.15 0.00 0.04 -1.76 -3.47 116.94 112.32 1ugk h PHE 73 Ca -0.05 -0.18 -0.62 0.00 2.80 0.00 0.00 57.97 59.92 1ugk h PHE 73 Cb 1.00 -0.01 -0.36 0.00 2.20 0.00 0.00 35.95 38.78 1ugk h PHE 73 CO 0.46 1.15 -0.90 -3.47 -0.60 0.00 0.00 178.31 174.95 1ugk n ASP 74 N -4.38 -1.85 -4.94 2.17 2.03 0.22 -4.89 116.55 104.91 1ugk n ASP 74 Ca -0.12 -1.23 -0.23 0.00 0.52 0.00 0.00 54.79 53.73 1ugk n ASP 74 Cb 0.64 -1.73 0.05 0.00 -0.72 0.00 0.00 41.12 39.37 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 -7.22 2.36 -0.14 -0.67 0.41 0.03 -4.79 118.70 108.68 1ugk s GLU 75 Ca 0.79 -0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 54.68 1ugk s GLU 75 Cb -0.46 -2.36 0.06 0.00 -1.78 0.00 0.00 34.13 29.59 1ugk s GLU 75 CO 1.02 -0.96 0.31 0.99 -0.49 0.00 0.00 175.26 176.13 1ugk s THR 76 N -2.97 -0.21 -0.21 3.63 2.01 -1.26 0.11 115.64 116.74 1ugk s THR 76 Ca 0.59 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 1ugk s THR 76 Cb -0.10 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1ugk s THR 76 CO 0.41 0.07 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.96 1ugk s PHE 77 N 1.76 2.91 0.35 4.92 0.08 -1.08 -4.94 117.98 121.99 1ugk s PHE 77 Ca -0.06 -1.19 -0.06 0.00 0.12 0.00 0.00 56.93 55.74 1ugk s PHE 77 Cb -0.11 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 1ugk s PHE 77 CO -0.10 -0.64 0.64 0.99 -0.10 0.00 0.00 175.22 176.01 1ugk s THR 78 N 1.41 4.95 -0.19 0.64 2.01 -1.26 -1.94 115.64 121.27 1ugk s THR 78 Ca 0.05 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 1ugk s THR 78 Cb -0.14 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.67 1ugk s THR 78 CO -0.06 -0.47 0.44 -0.36 -0.69 0.00 0.00 174.62 173.47 1ugk s PHE 79 N -2.28 -0.68 0.28 4.92 0.08 0.96 -4.95 117.98 116.32 1ugk s PHE 79 Ca 0.46 1.41 0.08 0.00 0.12 0.00 0.00 56.93 58.99 1ugk s PHE 79 Cb -0.10 0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 42.62 1ugk s PHE 79 CO 0.33 -0.38 0.18 0.71 -0.10 0.00 0.00 175.22 175.95 1ugk s TYR 80 N 1.62 2.97 0.00 0.36 2.02 -1.26 0.59 117.35 123.65 1ugk s TYR 80 Ca -0.08 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1ugk s TYR 80 Cb -0.09 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1ugk s TYR 80 CO -0.13 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.72 1ugk n GLY 81 N -1.16 2.46 3.63 0.71 0.00 -1.26 -4.99 105.19 104.57 1ugk n GLY 81 Ca -0.06 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.89 3.13 0.19 -0.61 1.01 -1.26 -4.93 121.20 117.83 1ugk s ILE 82 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 1ugk s ILE 82 Cb 0.00 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1ugk s ILE 82 CO 0.00 -0.06 1.11 -2.16 0.00 0.00 0.00 174.94 173.84 1ugk s PRO 83 N 5.38 4.59 0.59 2.79 0.04 -1.26 -4.66 135.00 142.47 1ugk s PRO 83 Ca 0.91 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.99 1ugk s PRO 83 Cb -0.35 -3.26 1.36 0.00 0.04 0.00 0.00 34.50 32.28 1ugk s PRO 83 CO 0.37 0.07 1.75 -0.92 0.04 0.00 0.00 177.00 178.30 1ugk h TYR 84 N 5.00 0.00 0.00 0.56 3.20 -1.91 1.94 116.97 125.75 1ugk h TYR 84 Ca -0.45 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 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 0.62 0.00 -0.10 1.79 -1.64 0.00 0.00 178.16 178.83 1ugk h THR 85 N 0.00 0.22 0.00 1.81 1.35 -2.01 -2.60 112.91 111.68 1ugk h THR 85 Ca 0.30 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1ugk h THR 85 Cb 1.65 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1ugk h THR 85 CO -0.00 0.10 -0.37 1.67 -0.25 0.00 0.00 175.52 176.66 1ugk n GLN 86 N -3.18 0.04 0.44 4.72 -0.06 0.66 -4.10 117.38 115.90 1ugk n GLN 86 Ca 0.02 0.02 -0.17 0.00 -2.00 0.00 0.00 57.00 54.86 1ugk n GLN 86 Cb 0.45 -1.53 -0.08 0.00 -4.06 0.00 0.00 30.24 25.01 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1ugk h ILE 87 N 0.00 0.00 -1.09 1.69 1.08 -1.18 0.86 117.51 118.86 1ugk h ILE 87 Ca 0.00 -0.03 0.30 0.00 -0.39 0.00 0.00 64.86 64.74 1ugk h ILE 87 Cb 0.54 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 1ugk h ILE 87 CO 0.00 0.00 0.74 1.56 -0.69 0.00 0.00 178.15 179.76 1ugk h GLN 88 N -1.14 0.20 0.00 2.37 4.20 -1.71 1.44 115.11 120.47 1ugk h GLN 88 Ca -0.11 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1ugk h GLN 88 Cb 0.85 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1ugk h GLN 88 CO 0.19 0.13 -0.63 0.93 -0.67 0.00 0.00 178.83 178.78 1ugk h GLU 89 N 0.21 0.00 0.00 1.46 4.39 -1.60 -1.83 114.58 117.21 1ugk h GLU 89 Ca 0.58 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.26 1ugk h GLU 89 Cb 1.84 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.50 1ugk h GLU 89 CO -0.17 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 179.43 1ugk n LEU 90 N -3.18 0.00 0.00 1.33 4.32 0.49 -4.31 117.00 115.65 1ugk n LEU 90 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1ugk n LEU 90 Cb 0.75 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 1ugk n LEU 90 CO 0.41 -1.17 0.00 0.00 -1.22 0.00 0.00 177.39 175.41 1ugk n ALA 91 N -3.10 0.00 -2.19 -1.18 0.00 -0.14 -3.86 120.51 110.04 1ugk n ALA 91 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1ugk n ALA 91 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 4.34 -0.28 0.00 1.43 -0.91 0.18 118.68 123.43 1ugk s LEU 92 Ca 0.00 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1ugk s LEU 92 Cb 0.00 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.82 1ugk s LEU 92 CO 0.00 0.05 0.02 -2.28 0.23 0.00 0.00 176.35 174.38 1ugk s HIS 93 N -1.51 2.50 -0.45 0.29 2.46 -0.78 -0.99 115.29 116.81 1ugk s HIS 93 Ca 0.41 -2.05 -0.19 0.00 0.47 0.00 0.00 55.06 53.70 1ugk s HIS 93 Cb -0.16 -1.96 0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1ugk s HIS 93 CO 0.20 -0.85 0.56 -0.06 -2.47 0.00 0.00 174.74 172.12 1ugk s PHE 94 N 1.35 3.10 -0.46 3.88 0.08 0.10 -3.41 117.98 122.62 1ugk s PHE 94 Ca 0.04 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 56.63 1ugk s PHE 94 Cb -0.18 -3.22 0.07 0.00 -0.57 0.00 0.00 43.02 39.12 1ugk s PHE 94 CO -0.13 -0.85 0.37 0.99 -0.10 0.00 0.00 175.22 175.51 1ugk s THR 95 N 2.49 5.10 -1.20 0.64 2.01 -0.99 0.23 115.64 123.92 1ugk s THR 95 Ca 0.16 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1ugk s THR 95 Cb -0.17 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.34 1ugk s THR 95 CO 0.15 -0.55 1.71 -0.63 -0.69 0.00 0.00 174.62 174.61 1ugk s ILE 96 N 1.62 3.97 0.41 1.82 1.09 0.15 -2.29 121.20 127.96 1ugk s ILE 96 Ca 0.04 -1.45 0.07 0.00 -1.10 0.00 0.00 60.65 58.21 1ugk s ILE 96 Cb -0.24 -5.03 -0.07 0.00 -1.06 0.00 0.00 42.46 36.06 1ugk s ILE 96 CO 0.06 -1.82 0.08 -1.48 -0.10 0.00 0.00 174.94 171.68 1ugk s LEU 97 N 5.57 2.98 0.14 2.97 2.34 -0.85 -0.99 118.68 130.83 1ugk s LEU 97 Ca 0.55 -1.24 0.07 0.00 0.06 0.00 0.00 54.13 53.57 1ugk s LEU 97 Cb 0.02 -1.14 -0.04 0.00 -0.56 0.00 0.00 46.19 44.47 1ugk s LEU 97 CO 0.04 -0.48 -0.16 -0.55 -1.06 0.00 0.00 176.35 174.14 1ugk s SER 98 N -3.79 2.35 -0.13 1.48 0.15 0.17 0.96 113.70 114.89 1ugk s SER 98 Ca 0.37 -0.83 -0.21 0.00 0.70 0.00 0.00 55.95 55.98 1ugk s SER 98 Cb 0.07 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1ugk s SER 98 CO 0.20 -0.08 0.63 0.12 1.20 0.00 0.00 173.24 175.31 1ugk s PHE 99 N -2.04 3.49 0.00 3.44 5.36 -1.15 -1.82 117.98 125.25 1ugk s PHE 99 Ca 0.12 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 1ugk s PHE 99 Cb -0.06 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 1ugk s PHE 99 CO 0.05 0.00 0.00 -3.47 -1.46 0.00 0.00 175.22 170.34 1ugk n ASP 100 N 4.26 1.18 -5.01 6.13 2.03 -0.89 -4.78 116.55 119.46 1ugk n ASP 100 Ca -0.02 -0.37 -0.18 0.00 0.52 0.00 0.00 54.79 54.74 1ugk n ASP 100 Cb 0.51 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1ugk n ASP 100 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ugk s ARG 101 N 0.41 2.65 -1.67 -0.67 3.52 -1.25 -4.37 118.95 117.58 1ugk s ARG 101 Ca 0.00 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.27 1ugk s ARG 101 Cb 0.00 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1ugk s ARG 101 CO 0.00 -0.47 0.00 1.19 -0.81 0.00 0.00 175.30 175.21 1ugk n PHE 102 N -2.00 -0.21 0.00 5.12 3.01 -1.26 -1.21 117.46 120.91 1ugk n PHE 102 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1ugk n PHE 102 Cb 0.60 -2.89 0.00 0.00 -0.01 0.00 0.00 39.48 37.17 1ugk n PHE 102 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ugk n SER 103 N -0.83 0.00 -4.08 4.37 2.88 -1.26 -4.99 113.62 109.72 1ugk n SER 103 Ca -0.16 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.94 1ugk n SER 103 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ugk n ARG 104 N 0.00 0.00 -4.66 -1.46 1.74 -0.35 -4.66 116.66 107.28 1ugk n ARG 104 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1ugk n ARG 104 Cb 0.00 -0.93 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 1ugk n ARG 104 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1ugk s ASP 105 N -0.91 2.75 -0.57 0.55 1.47 -1.26 -2.10 116.67 116.60 1ugk s ASP 105 Ca 0.60 -0.51 -0.18 0.00 1.18 0.00 0.00 52.55 53.64 1ugk s ASP 105 Cb -0.87 -1.25 0.10 0.00 -0.34 0.00 0.00 42.92 40.56 1ugk s ASP 105 CO 0.52 0.06 0.65 -1.81 0.68 0.00 0.00 175.17 175.27 1ugk s ASP 106 N 0.81 6.19 0.22 2.11 1.11 -0.75 -4.93 116.67 121.42 1ugk s ASP 106 Ca -0.09 -1.43 -0.30 0.00 0.18 0.00 0.00 52.55 50.91 1ugk s ASP 106 Cb -0.16 -2.28 -0.08 0.00 1.07 0.00 0.00 42.92 41.47 1ugk s ASP 106 CO 0.00 -1.03 0.97 -0.63 1.18 0.00 0.00 175.17 175.66 1ugk s ILE 107 N 2.46 4.08 -0.23 0.77 1.01 -1.26 -0.66 121.20 127.37 1ugk s ILE 107 Ca 0.10 2.01 -0.09 0.00 0.00 0.00 0.00 60.65 62.67 1ugk s ILE 107 Cb -0.25 -4.28 -0.17 0.00 0.01 0.00 0.00 42.46 37.77 1ugk s ILE 107 CO 0.06 0.44 -0.10 -0.38 0.00 0.00 0.00 174.94 174.97 1ugk n ILE 108 N 1.73 1.56 -3.67 2.92 5.41 -0.16 -4.90 119.36 122.25 1ugk n ILE 108 Ca -0.01 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.28 1ugk n ILE 108 Cb 0.47 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.65 1ugk n ILE 108 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ugk s GLY 109 N -5.74 -0.32 0.13 7.39 0.00 -0.34 -4.75 107.32 103.69 1ugk s GLY 109 Ca -0.33 0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.99 1ugk s GLY 109 CO 0.59 0.12 -0.24 -0.54 0.00 0.00 0.00 173.10 173.03 1ugk s GLU 110 N -2.98 1.32 0.05 2.90 8.01 -1.21 0.32 118.70 127.11 1ugk s GLU 110 Ca 0.11 -1.31 0.01 0.00 0.01 0.00 0.00 54.97 53.79 1ugk s GLU 110 Cb 0.00 -1.70 -0.03 0.00 -4.31 0.00 0.00 34.13 28.09 1ugk s GLU 110 CO -0.02 0.39 -0.06 0.08 0.01 0.00 0.00 175.26 175.67 1ugk s VAL 111 N -1.21 0.45 -0.05 2.63 1.01 0.62 -4.30 120.40 119.55 1ugk s VAL 111 Ca 0.12 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1ugk s VAL 111 Cb -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1ugk s VAL 111 CO 0.06 -0.60 0.17 -0.22 0.00 0.00 0.00 175.10 174.51 1ugk s LEU 112 N -2.08 1.37 -0.30 3.92 2.96 -1.26 0.00 118.68 123.28 1ugk s LEU 112 Ca -0.04 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1ugk s LEU 112 Cb -0.04 0.65 0.11 0.00 0.50 0.00 0.00 46.19 47.42 1ugk s LEU 112 CO -0.02 -0.16 0.17 -0.51 -1.32 0.00 0.00 176.35 174.51 1ugk s ILE 113 N -0.36 -0.08 -0.13 6.68 1.10 -0.16 -4.96 121.20 123.28 1ugk s ILE 113 Ca -0.05 -0.91 -0.29 0.00 -0.51 0.00 0.00 60.65 58.89 1ugk s ILE 113 Cb -0.03 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.56 1ugk s ILE 113 CO 0.01 -0.74 1.26 -2.16 -2.11 0.00 0.00 174.94 171.19 1ugk s PRO 114 N 1.92 4.26 0.00 3.50 0.04 -1.26 -2.14 135.00 141.31 1ugk s PRO 114 Ca 0.11 1.68 0.25 0.00 0.04 0.00 0.00 61.00 63.08 1ugk s PRO 114 Cb -0.17 -3.72 1.46 0.00 0.04 0.00 0.00 34.50 32.12 1ugk s PRO 114 CO -0.28 -0.65 1.86 1.28 0.04 0.00 0.00 177.00 179.25 1ugk n LEU 115 N 6.26 0.00 -4.58 -3.56 4.77 -1.25 -4.64 117.00 114.00 1ugk n LEU 115 Ca 0.13 0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 1ugk n LEU 115 Cb 0.45 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1ugk n LEU 115 CO 0.56 -0.01 1.81 -0.55 -1.33 0.00 0.00 177.39 177.87 1ugk s SER 116 N -2.09 5.18 0.00 -1.43 0.15 -0.69 -1.35 113.70 113.47 1ugk s SER 116 Ca 0.35 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1ugk s SER 116 Cb 0.17 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1ugk s SER 116 CO 0.30 -2.26 0.00 0.61 1.20 0.00 0.00 173.24 173.09 1ugk n GLY 117 N 5.77 2.72 3.65 9.45 0.00 -1.26 -5.04 105.19 120.48 1ugk n GLY 117 Ca 0.29 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 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 1.79 -4.09 -0.61 2.08 -0.46 -4.97 119.36 113.11 1ugk n ILE 118 Ca 0.00 -0.45 -0.33 0.00 0.56 0.00 0.00 62.75 62.54 1ugk n ILE 118 Cb 0.00 -1.32 -0.15 0.00 -0.75 0.00 0.00 39.64 37.42 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1ugk s GLU 119 N -1.47 2.68 0.00 0.38 -1.05 -1.26 -4.88 118.70 113.09 1ugk s GLU 119 Ca 0.59 -1.05 0.22 0.00 -0.15 0.00 0.00 54.97 54.58 1ugk s GLU 119 Cb -0.64 -2.73 0.12 0.00 -0.44 0.00 0.00 34.13 30.44 1ugk s GLU 119 CO 0.59 -0.37 1.14 1.28 0.95 0.00 0.00 175.26 178.86 1ugk n LEU 120 N 4.55 2.55 -0.28 1.83 4.77 -1.26 -4.59 117.00 124.57 1ugk n LEU 120 Ca -0.18 -0.93 -0.07 0.00 -0.03 0.00 0.00 56.01 54.80 1ugk n LEU 120 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1ugk n LEU 120 CO 0.24 0.44 0.45 -1.54 -1.33 0.00 0.00 177.39 175.65 1ugk n SER 121 N 0.84 -0.70 -0.32 -1.43 3.41 -1.26 0.16 113.62 114.31 1ugk n SER 121 Ca 0.12 1.44 0.22 0.00 -0.26 0.00 0.00 58.87 60.38 1ugk n SER 121 Cb 0.51 -0.28 0.42 0.00 -0.26 0.00 0.00 64.21 64.61 1ugk n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ugk h GLU 122 N 0.00 0.12 0.00 4.33 5.08 -2.04 -3.47 114.58 118.60 1ugk h GLU 122 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ugk h GLU 122 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ugk h GLU 122 CO -0.62 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 177.87 1ugk n GLY 123 N -1.35 -0.16 3.81 -3.84 0.00 0.42 -5.11 105.19 98.96 1ugk n GLY 123 Ca 0.29 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.03 4.19 0.04 1.61 2.20 -1.26 -4.55 119.74 120.94 1ugk s LYS 124 Ca 0.00 0.73 0.05 0.00 -0.36 0.00 0.00 55.97 56.39 1ugk s LYS 124 Cb 0.00 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1ugk s LYS 124 CO 0.00 0.61 -0.14 0.00 -0.36 0.00 0.00 175.35 175.46 1ugk s MET 125 N -1.24 0.91 -0.05 4.03 0.23 -1.09 -5.01 119.30 117.07 1ugk s MET 125 Ca 0.31 -0.76 -0.14 0.00 -1.03 0.00 0.00 55.69 54.07 1ugk s MET 125 Cb -0.19 -0.92 -0.05 0.00 -1.53 0.00 0.00 34.83 32.14 1ugk s MET 125 CO 0.19 0.22 0.36 -1.17 -2.03 0.00 0.00 175.02 172.59 1ugk s LEU 126 N -1.17 4.41 0.04 0.18 1.98 -1.26 -2.28 118.68 120.58 1ugk s LEU 126 Ca 0.01 0.80 -0.05 0.00 -2.89 0.00 0.00 54.13 52.01 1ugk s LEU 126 Cb -0.08 -2.48 -0.02 0.00 0.66 0.00 0.00 46.19 44.27 1ugk s LEU 126 CO 0.01 0.27 0.07 -0.04 -1.89 0.00 0.00 176.35 174.78 1ugk s MET 127 N -0.67 0.58 0.15 1.98 -1.94 0.10 -4.98 119.30 114.52 1ugk s MET 127 Ca 0.21 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1ugk s MET 127 Cb -0.15 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.87 1ugk s MET 127 CO 0.10 -0.14 -0.00 0.54 -0.01 0.00 0.00 175.02 175.51 1ugk s ASN 128 N -2.24 1.02 -0.05 3.03 4.22 -1.26 -1.33 114.94 118.34 1ugk s ASN 128 Ca -0.03 -1.14 -0.16 0.00 -2.14 0.00 0.00 52.86 49.38 1ugk s ASN 128 Cb -0.00 0.15 0.03 0.00 1.28 0.00 0.00 41.25 42.71 1ugk s ASN 128 CO -0.05 -0.58 0.37 -0.13 -2.04 0.00 0.00 177.10 174.67 1ugk s ARG 129 N -3.92 0.66 0.19 3.55 1.81 -0.62 -4.97 118.95 115.65 1ugk s ARG 129 Ca 0.21 0.04 -0.19 0.00 -1.72 0.00 0.00 55.73 54.07 1ugk s ARG 129 Cb 0.06 0.30 -0.08 0.00 -0.45 0.00 0.00 34.95 34.79 1ugk s ARG 129 CO 0.01 -0.17 0.68 -1.83 -0.68 0.00 0.00 175.30 173.31 1ugk s GLU 130 N -0.94 4.22 -0.25 3.54 -1.05 -1.26 -0.90 118.70 122.05 1ugk s GLU 130 Ca -0.10 0.80 -0.10 0.00 -0.15 0.00 0.00 54.97 55.43 1ugk s GLU 130 Cb -0.04 -2.95 -0.04 0.00 -0.44 0.00 0.00 34.13 30.66 1ugk s GLU 130 CO 0.04 0.44 0.14 0.42 0.95 0.00 0.00 175.26 177.25 1ugk s ILE 131 N -1.45 5.07 0.05 1.83 1.01 0.11 -4.85 121.20 122.98 1ugk s ILE 131 Ca 0.40 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.14 1ugk s ILE 131 Cb -0.17 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ugk s ILE 131 CO 0.21 0.33 0.04 2.30 0.00 0.00 0.00 174.94 177.82 1ugk n ILE 132 N 4.53 0.00 -2.95 2.92 -6.64 -1.26 -3.72 119.36 112.24 1ugk n ILE 132 Ca -0.15 -0.36 -0.44 0.00 -1.77 0.00 0.00 62.75 60.03 1ugk n ILE 132 Cb 0.52 0.17 0.00 0.00 -1.44 0.00 0.00 39.64 38.89 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 -2.60 5.23 -1.57 7.28 2.88 -1.26 -3.30 113.62 120.28 1ugk n SER 133 Ca 0.01 -2.98 0.04 0.00 -1.33 0.00 0.00 58.87 54.60 1ugk n SER 133 Cb 0.09 -1.57 -0.02 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 4.04 -3.87 3.58 0.46 0.00 -1.26 -4.64 105.19 103.50 1ugk n GLY 134 Ca 0.37 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -5.22 3.30 -0.30 1.61 0.04 -1.26 -4.91 135.00 128.26 1ugk s PRO 135 Ca 0.00 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1ugk s PRO 135 Cb 0.00 -4.13 0.19 0.00 0.04 0.00 0.00 34.50 30.60 1ugk s PRO 135 CO 0.00 -1.93 0.61 0.45 0.04 0.00 0.00 177.00 176.17 1ugk s SER 136 N 4.74 -1.43 0.09 6.66 0.15 -1.26 -5.16 113.70 117.50 1ugk s SER 136 Ca 0.57 0.68 0.05 0.00 0.70 0.00 0.00 55.95 57.94 1ugk s SER 136 Cb -0.12 2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 66.26 1ugk s SER 136 CO 0.27 -0.27 0.01 -0.44 1.20 0.00 0.00 173.24 174.02 1ugk s SER 137 N 2.85 5.10 0.00 5.45 0.01 -1.26 -5.10 113.70 120.76 1ugk s SER 137 Ca 0.18 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1ugk s SER 137 Cb -0.13 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1ugk s SER 137 CO -0.22 0.17 0.04 0.61 0.41 0.00 0.00 173.24 174.25