#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 -0.46 0.46 1.61 0.01 -1.26 -5.13 113.70 108.92 1ugk s SER 2 Ca 0.00 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1ugk s SER 2 Cb 0.00 1.49 0.00 0.00 0.21 0.00 0.00 66.02 67.72 1ugk s SER 2 CO 0.00 -0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.32 1ugk n SER 3 N 5.03 -8.15 0.00 2.44 2.88 -1.26 -5.08 113.62 109.48 1ugk n SER 3 Ca -0.08 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1ugk n SER 3 Cb 0.53 -4.37 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 1ugk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 4 N -0.65 -0.55 1.16 0.46 0.00 -1.26 -5.17 105.19 99.18 1ugk n GLY 4 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.27 -4.24 1.61 2.88 -1.26 -4.73 113.62 101.61 1ugk n SER 5 Ca 0.00 1.24 -0.43 0.00 -1.33 0.00 0.00 58.87 58.36 1ugk n SER 5 Cb 0.00 -3.86 -0.05 0.00 -0.75 0.00 0.00 64.21 59.54 1ugk n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ugk s SER 6 N -6.09 6.11 0.00 -3.46 1.04 -1.26 -4.94 113.70 105.10 1ugk s SER 6 Ca 0.00 -2.56 0.00 0.00 0.48 0.00 0.00 55.95 53.87 1ugk s SER 6 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1ugk s SER 6 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1ugk n GLY 7 N 4.06 -2.25 0.00 7.32 0.00 -1.26 -4.96 105.19 108.10 1ugk n GLY 7 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.18 0.31 0.00 0.99 7.99 -1.17 -4.97 117.00 118.96 1ugk n LEU 8 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 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 1.19 1.89 3.66 -0.72 0.00 -1.00 -4.38 105.19 105.82 1ugk n GLY 9 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.72 2.06 -0.05 2.61 2.01 -0.02 -0.11 115.64 119.42 1ugk s THR 10 Ca 0.00 -1.91 -0.01 0.00 0.31 0.00 0.00 61.69 60.08 1ugk s THR 10 Cb 0.00 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.57 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 -3.77 0.58 -0.10 4.42 1.98 0.89 -3.26 118.68 119.42 1ugk s LEU 11 Ca 0.36 -0.00 -0.03 0.00 -2.89 0.00 0.00 54.13 51.57 1ugk s LEU 11 Cb 0.08 -0.26 -0.03 0.00 0.66 0.00 0.00 46.19 46.63 1ugk s LEU 11 CO 0.19 -0.19 0.02 -0.36 -1.89 0.00 0.00 176.35 174.12 1ugk s PHE 12 N 1.78 3.21 0.20 5.38 0.08 -0.82 -0.49 117.98 127.31 1ugk s PHE 12 Ca 0.01 0.20 -0.23 0.00 0.12 0.00 0.00 56.93 57.03 1ugk s PHE 12 Cb -0.12 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.57 1ugk s PHE 12 CO -0.03 0.46 0.97 -0.59 -0.10 0.00 0.00 175.22 175.93 1ugk s PHE 13 N -0.78 -0.02 -0.09 0.36 -0.71 -0.43 -1.48 117.98 114.84 1ugk s PHE 13 Ca 0.12 -0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 55.51 1ugk s PHE 13 Cb -0.12 0.69 0.03 0.00 -1.21 0.00 0.00 43.02 42.41 1ugk s PHE 13 CO 0.02 -0.96 0.33 -1.54 -1.34 0.00 0.00 175.22 171.73 1ugk s SER 14 N -3.15 -0.30 -0.00 1.98 1.04 -0.88 -0.19 113.70 112.20 1ugk s SER 14 Ca 0.17 0.48 -0.00 0.00 0.48 0.00 0.00 55.95 57.07 1ugk s SER 14 Cb -0.02 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1ugk s SER 14 CO 0.05 -0.22 0.08 -0.76 0.98 0.00 0.00 173.24 173.36 1ugk s LEU 15 N -0.32 3.88 -0.24 2.42 1.43 -0.63 -1.32 118.68 123.90 1ugk s LEU 15 Ca -0.04 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1ugk s LEU 15 Cb -0.03 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.99 1ugk s LEU 15 CO 0.02 0.27 0.59 -0.70 0.23 0.00 0.00 176.35 176.76 1ugk s GLU 16 N -1.74 0.60 -0.18 1.70 2.12 0.37 -1.66 118.70 119.90 1ugk s GLU 16 Ca 0.23 1.09 -0.09 0.00 0.36 0.00 0.00 54.97 56.56 1ugk s GLU 16 Cb -0.12 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 1ugk s GLU 16 CO 0.14 -0.16 0.11 -0.47 -0.54 0.00 0.00 175.26 174.35 1ugk s TYR 17 N 1.61 3.39 -1.05 5.30 5.04 -1.26 0.15 117.35 130.53 1ugk s TYR 17 Ca -0.10 0.29 -0.07 0.00 -2.44 0.00 0.00 57.07 54.76 1ugk s TYR 17 Cb -0.06 -2.11 -0.09 0.00 0.35 0.00 0.00 41.96 40.05 1ugk s TYR 17 CO -0.18 0.32 2.59 -1.71 -1.34 0.00 0.00 175.55 175.24 1ugk n ASN 18 N 3.30 6.36 -0.27 4.32 2.85 0.52 -4.68 115.26 127.66 1ugk n ASN 18 Ca -0.17 -2.41 0.05 0.00 -0.11 0.00 0.00 54.58 51.94 1ugk n ASN 18 Cb 0.52 -1.29 0.11 0.00 1.24 0.00 0.00 39.78 40.37 1ugk n ASN 18 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ugk n PHE 19 N 3.69 0.29 -0.27 1.20 3.72 -1.26 0.19 117.46 125.02 1ugk n PHE 19 Ca 0.57 0.92 0.02 0.00 -0.05 0.00 0.00 57.45 58.91 1ugk n PHE 19 Cb 0.27 -0.95 0.09 0.00 -0.94 0.00 0.00 39.48 37.95 1ugk n PHE 19 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1ugk h GLU 20 N 0.00 0.00 -0.36 -1.08 4.81 -1.95 0.26 114.58 116.27 1ugk h GLU 20 Ca 0.37 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1ugk h GLU 20 Cb 0.58 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1ugk h GLU 20 CO -0.77 0.00 0.03 0.54 -0.73 0.00 0.00 179.01 178.07 1ugk n ARG 21 N -5.50 2.78 -3.71 1.92 1.74 0.47 -4.98 116.66 109.37 1ugk n ARG 21 Ca 0.11 -2.96 -0.26 0.00 -0.77 0.00 0.00 57.85 53.97 1ugk n ARG 21 Cb 0.40 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.61 -1.08 -4.29 5.56 5.02 0.52 -4.81 118.16 118.47 1ugk n LYS 22 Ca 0.27 0.47 -0.16 0.00 -2.02 0.00 0.00 58.31 56.87 1ugk n LYS 22 Cb 1.01 -1.88 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugk s ALA 23 N -3.06 1.63 -0.08 7.82 0.00 -0.88 -4.18 121.76 123.01 1ugk s ALA 23 Ca 0.10 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1ugk s ALA 23 Cb -0.06 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 1ugk s ALA 23 CO 0.78 -0.50 -0.09 0.12 0.00 0.00 0.00 175.76 176.06 1ugk s PHE 24 N -3.82 2.87 -0.17 0.00 5.36 0.15 0.20 117.98 122.57 1ugk s PHE 24 Ca 0.38 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1ugk s PHE 24 Cb 0.07 -1.74 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 1ugk s PHE 24 CO 0.14 0.17 -0.05 0.08 -1.46 0.00 0.00 175.22 174.10 1ugk s VAL 25 N -0.48 1.10 -0.49 3.12 1.01 0.39 -0.83 120.40 124.23 1ugk s VAL 25 Ca 0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1ugk s VAL 25 Cb -0.12 -1.29 0.13 0.00 0.00 0.00 0.00 36.38 35.10 1ugk s VAL 25 CO 0.02 0.11 0.33 -0.69 0.00 0.00 0.00 175.10 174.88 1ugk s VAL 26 N 1.63 3.94 0.04 2.92 1.01 -0.78 -0.48 120.40 128.69 1ugk s VAL 26 Ca 0.00 -2.04 -0.26 0.00 0.00 0.00 0.00 61.98 59.68 1ugk s VAL 26 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1ugk s VAL 26 CO -0.08 -0.78 0.82 0.21 0.00 0.00 0.00 175.10 175.28 1ugk s ASN 27 N 2.17 7.26 -0.41 3.32 3.84 -0.44 -2.92 114.94 127.75 1ugk s ASN 27 Ca 0.08 1.51 -0.03 0.00 0.21 0.00 0.00 52.86 54.63 1ugk s ASN 27 Cb -0.24 -2.50 0.11 0.00 -0.55 0.00 0.00 41.25 38.08 1ugk s ASN 27 CO -0.02 -0.05 0.21 -0.63 -2.79 0.00 0.00 177.10 173.82 1ugk s ILE 28 N 0.18 3.35 0.00 -5.21 1.01 0.20 -2.08 121.20 118.65 1ugk s ILE 28 Ca 0.42 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1ugk s ILE 28 Cb -0.21 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1ugk s ILE 28 CO 0.24 -0.70 0.00 1.17 0.00 0.00 0.00 174.94 175.65 1ugk n LYS 29 N 4.61 2.40 -4.15 2.79 4.81 -0.55 -0.92 118.16 127.15 1ugk n LYS 29 Ca -0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.15 1ugk n LYS 29 Cb 0.41 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.41 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 2.24 -0.08 1.64 -1.05 -1.23 -1.92 118.70 118.29 1ugk s GLU 30 Ca 0.00 -2.00 0.02 0.00 -0.15 0.00 0.00 54.97 52.85 1ugk s GLU 30 Cb 0.00 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.75 1ugk s GLU 30 CO 0.00 -0.33 -0.16 0.00 0.95 0.00 0.00 175.26 175.72 1ugk s ALA 31 N -2.71 1.57 -0.03 -0.84 0.00 -0.89 -1.95 121.76 116.91 1ugk s ALA 31 Ca 0.32 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1ugk s ALA 31 Cb 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1ugk s ALA 31 CO 0.19 0.10 -0.22 1.03 0.00 0.00 0.00 175.76 176.85 1ugk s ARG 32 N 0.69 2.27 0.00 0.00 1.81 -1.20 -3.65 118.95 118.87 1ugk s ARG 32 Ca -0.13 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 1ugk s ARG 32 Cb -0.16 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.19 1ugk s ARG 32 CO 0.03 0.56 0.00 0.41 -0.68 0.00 0.00 175.30 175.62 1ugk n GLY 33 N 2.45 0.58 3.59 -3.53 0.00 -1.26 -0.84 105.19 106.18 1ugk n GLY 33 Ca -0.16 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.66 4.06 0.09 0.99 1.43 -1.22 -2.36 118.68 121.01 1ugk s LEU 34 Ca 0.00 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1ugk s LEU 34 Cb 0.00 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 1ugk s LEU 34 CO 0.00 -0.08 1.15 -2.16 0.23 0.00 0.00 176.35 175.50 1ugk s PRO 35 N 1.78 4.48 0.49 1.29 0.04 -1.26 -4.81 135.00 137.01 1ugk s PRO 35 Ca 0.08 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 35 Cb -0.16 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 1ugk s PRO 35 CO 0.11 -0.16 1.10 0.00 0.04 0.00 0.00 177.00 178.09 1ugk n ALA 36 N 3.51 0.63 -0.05 8.56 0.00 -1.26 -4.93 120.51 126.97 1ugk n ALA 36 Ca 0.07 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1ugk n ALA 36 Cb 0.47 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.38 2.22 -3.66 0.00 2.81 -1.26 -5.04 117.12 111.82 1ugk n MET 37 Ca 0.10 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.75 1ugk n MET 37 Cb 0.42 -1.25 0.01 0.00 -0.71 0.00 0.00 33.22 31.69 1ugk n MET 37 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ugk n ASP 38 N -2.41 2.63 -0.01 7.83 9.92 -1.25 -5.05 116.55 128.22 1ugk n ASP 38 Ca -0.17 -2.82 0.01 0.00 -0.53 0.00 0.00 54.79 51.28 1ugk n ASP 38 Cb 0.82 -0.11 -0.00 0.00 -0.64 0.00 0.00 41.12 41.18 1ugk n ASP 38 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ugk n GLU 39 N -1.87 5.07 0.00 -1.24 0.28 -1.26 -4.53 120.64 117.09 1ugk n GLU 39 Ca 0.01 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ugk n GLU 39 Cb 0.62 -0.65 0.00 0.00 1.43 0.00 0.00 31.44 32.83 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ugk n GLN 40 N -0.80 0.00 -2.42 3.44 6.02 -1.26 -3.61 117.38 118.75 1ugk n GLN 40 Ca 0.00 0.47 -0.20 0.00 -0.01 0.00 0.00 57.00 57.26 1ugk n GLN 40 Cb 0.02 -0.93 0.02 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.96 3.91 -3.07 1.08 2.88 -1.26 -4.93 113.62 111.27 1ugk n SER 41 Ca 0.00 -3.38 -0.15 0.00 -1.33 0.00 0.00 58.87 54.01 1ugk n SER 41 Cb 0.00 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.54 -3.52 -1.46 1.56 -1.24 -4.87 117.12 104.57 1ugk n MET 42 Ca 0.32 0.21 -0.16 0.00 -0.27 0.00 0.00 57.70 57.80 1ugk n MET 42 Cb 0.79 -4.79 -0.05 0.00 2.15 0.00 0.00 33.22 31.33 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 -3.23 0.00 -3.83 1.12 5.66 -1.26 -4.83 114.28 107.90 1ugk n THR 43 Ca -0.00 -1.50 -0.05 0.00 -3.05 0.00 0.00 64.05 59.45 1ugk n THR 43 Cb 0.51 0.53 0.01 0.00 -1.55 0.00 0.00 70.33 69.83 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 -2.59 -0.06 -0.56 1.09 1.04 -1.26 -3.82 113.70 107.54 1ugk s SER 44 Ca 0.12 -0.71 0.07 0.00 0.48 0.00 0.00 55.95 55.91 1ugk s SER 44 Cb 0.01 0.59 0.27 0.00 0.10 0.00 0.00 66.02 66.98 1ugk s SER 44 CO 0.09 -1.15 0.72 0.47 0.98 0.00 0.00 173.24 174.35 1ugk n ASP 45 N -1.03 2.83 -4.78 7.02 8.00 -1.24 -0.02 116.55 127.32 1ugk n ASP 45 Ca -0.05 -3.27 -0.29 0.00 0.71 0.00 0.00 54.79 51.89 1ugk n ASP 45 Cb 0.60 -0.65 0.14 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.30 1.14 -0.28 -0.24 0.04 -1.26 -1.18 135.00 130.91 1ugk s PRO 46 Ca 0.40 0.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 1ugk s PRO 46 Cb 0.18 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 33.06 1ugk s PRO 46 CO -0.06 -2.20 1.32 1.52 0.04 0.00 0.00 177.00 177.63 1ugk s TYR 47 N -3.28 -0.15 0.28 0.56 1.13 -1.23 -4.22 117.35 110.44 1ugk s TYR 47 Ca 0.64 0.36 -0.07 0.00 -1.41 0.00 0.00 57.07 56.59 1ugk s TYR 47 Cb -0.15 0.46 -0.06 0.00 -1.10 0.00 0.00 41.96 41.11 1ugk s TYR 47 CO 0.53 -0.09 0.57 0.42 -2.51 0.00 0.00 175.55 174.48 1ugk s ILE 48 N -0.15 4.98 -0.11 -3.49 1.01 -1.26 -2.52 121.20 119.66 1ugk s ILE 48 Ca 0.06 0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.97 1ugk s ILE 48 Cb -0.04 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1ugk s ILE 48 CO -0.12 -0.27 -0.23 -0.54 0.00 0.00 0.00 174.94 173.78 1ugk s LYS 49 N -3.38 2.94 0.10 2.79 1.02 -0.72 -2.60 119.74 119.90 1ugk s LYS 49 Ca 0.46 -0.84 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 1ugk s LYS 49 Cb -0.11 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1ugk s LYS 49 CO 0.28 0.13 0.35 1.41 -0.92 0.00 0.00 175.35 176.59 1ugk s MET 50 N 0.47 3.62 -0.23 1.68 1.75 0.60 -2.25 119.30 124.94 1ugk s MET 50 Ca -0.16 -0.06 -0.11 0.00 -1.25 0.00 0.00 55.69 54.11 1ugk s MET 50 Cb -0.17 -2.93 0.09 0.00 2.84 0.00 0.00 34.83 34.65 1ugk s MET 50 CO 0.06 0.53 0.54 0.99 -0.65 0.00 0.00 175.02 176.49 1ugk s THR 51 N -1.54 -0.36 -0.76 10.11 2.01 -1.23 -1.32 115.64 122.55 1ugk s THR 51 Ca 0.37 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 1ugk s THR 51 Cb -0.13 -0.81 0.07 0.00 0.01 0.00 0.00 72.50 71.64 1ugk s THR 51 CO 0.22 0.03 1.12 -0.63 -0.69 0.00 0.00 174.62 174.67 1ugk s ILE 52 N 2.06 4.21 0.42 1.82 1.01 -0.79 -2.23 121.20 127.70 1ugk s ILE 52 Ca -0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1ugk s ILE 52 Cb -0.09 -4.80 -0.05 0.00 0.01 0.00 0.00 42.46 37.53 1ugk s ILE 52 CO -0.16 -1.61 0.74 -0.76 0.00 0.00 0.00 174.94 173.15 1ugk s LEU 53 N 4.31 3.78 0.02 2.97 1.43 0.50 0.17 118.68 131.85 1ugk s LEU 53 Ca 0.29 0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 1ugk s LEU 53 Cb -0.11 -3.88 -0.22 0.00 0.03 0.00 0.00 46.19 42.02 1ugk s LEU 53 CO 0.06 -0.45 1.15 1.55 0.23 0.00 0.00 176.35 178.88 1ugk h PRO 54 N 0.85 0.45 0.00 1.29 0.13 -1.84 0.11 132.00 132.99 1ugk h PRO 54 Ca -0.47 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 1ugk h PRO 54 Cb 1.20 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ugk h PRO 54 CO 0.63 1.09 0.00 0.39 -0.23 0.00 0.00 178.00 179.88 1ugk n GLU 55 N -4.22 0.00 -0.96 0.86 1.02 -1.22 -4.60 120.64 111.52 1ugk n GLU 55 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1ugk n GLU 55 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 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 -1.62 0.00 0.13 3.49 4.81 0.44 -4.90 118.16 120.51 1ugk n LYS 56 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1ugk n LYS 56 Cb 0.00 -2.47 -0.07 0.00 0.02 0.00 0.00 35.03 32.51 1ugk n LYS 56 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1ugk h LYS 57 N 2.77 -0.38 -4.88 1.64 2.10 -1.82 -3.35 116.57 112.66 1ugk h LYS 57 Ca 0.00 0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 58.17 1ugk h LYS 57 Cb 0.00 0.09 0.05 0.00 -0.90 0.00 0.00 32.23 31.47 1ugk h LYS 57 CO 0.00 -0.04 1.58 0.72 -2.00 0.00 0.00 179.45 179.70 1ugk n HIS 58 N -5.07 1.48 -3.49 0.07 -0.00 -1.26 -4.86 115.22 102.10 1ugk n HIS 58 Ca -0.08 -1.24 -0.38 0.00 -0.00 0.00 0.00 57.72 56.01 1ugk n HIS 58 Cb 0.26 -1.75 -0.09 0.00 -0.00 0.00 0.00 29.99 28.41 1ugk n HIS 58 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1ugk s LYS 59 N 6.17 4.04 0.00 -0.41 2.20 -1.26 -1.89 119.74 128.60 1ugk s LYS 59 Ca 0.65 -0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1ugk s LYS 59 Cb 0.09 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1ugk s LYS 59 CO 0.19 -0.15 0.02 0.14 -0.36 0.00 0.00 175.35 175.19 1ugk s VAL 60 N 1.66 0.06 0.08 4.02 -7.23 -0.43 -5.00 120.40 113.56 1ugk s VAL 60 Ca 0.12 -0.48 0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1ugk s VAL 60 Cb -0.15 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1ugk s VAL 60 CO 0.09 -0.26 -0.22 -1.59 -0.31 0.00 0.00 175.10 172.81 1ugk s LYS 61 N -0.79 1.26 0.17 4.82 -2.85 -1.26 0.22 119.74 121.31 1ugk s LYS 61 Ca -0.09 -1.11 -0.19 0.00 -1.00 0.00 0.00 55.97 53.59 1ugk s LYS 61 Cb -0.05 -1.49 -0.08 0.00 -2.06 0.00 0.00 37.83 34.15 1ugk s LYS 61 CO -0.00 0.36 0.66 0.95 0.10 0.00 0.00 175.35 177.42 1ugk s THR 62 N -1.02 4.65 0.15 3.79 -4.23 -1.07 -4.94 115.64 112.97 1ugk s THR 62 Ca 0.08 1.21 -0.27 0.00 -1.18 0.00 0.00 61.69 61.52 1ugk s THR 62 Cb -0.10 -3.86 -0.16 0.00 1.34 0.00 0.00 72.50 69.72 1ugk s THR 62 CO 0.04 0.30 0.54 -1.14 -0.54 0.00 0.00 174.62 173.82 1ugk n ARG 63 N 0.99 0.00 -3.52 3.99 0.63 -1.26 -4.61 116.66 112.88 1ugk n ARG 63 Ca -0.05 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.47 1ugk n ARG 63 Cb 0.51 -0.97 -0.07 0.00 0.45 0.00 0.00 32.46 32.38 1ugk n ARG 63 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ugk s VAL 64 N -0.77 4.52 1.14 5.15 0.11 -1.26 -4.78 120.40 124.52 1ugk s VAL 64 Ca 0.61 -2.19 -0.16 0.00 -2.93 0.00 0.00 61.98 57.31 1ugk s VAL 64 Cb -0.88 -3.91 0.18 0.00 -1.53 0.00 0.00 36.38 30.23 1ugk s VAL 64 CO 0.51 -0.87 0.38 0.18 -3.33 0.00 0.00 175.10 171.97 1ugk n LEU 65 N 4.40 -2.03 -4.21 2.54 4.77 -1.26 -4.98 117.00 116.23 1ugk n LEU 65 Ca 0.00 -0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 1ugk n LEU 65 Cb 0.41 -1.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 1ugk n LEU 65 CO 0.40 -3.19 -0.50 -0.13 -1.33 0.00 0.00 177.39 172.64 1ugk s ARG 66 N -3.80 3.13 -0.30 3.23 1.81 -1.26 -4.51 118.95 117.24 1ugk s ARG 66 Ca 0.61 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.81 1ugk s ARG 66 Cb -0.17 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1ugk s ARG 66 CO 0.66 -0.05 0.06 1.63 -0.68 0.00 0.00 175.30 176.91 1ugk n LYS 67 N 4.23 -3.25 -3.22 3.54 5.02 -0.84 -4.98 118.16 118.66 1ugk n LYS 67 Ca -0.20 2.64 0.03 0.00 -2.02 0.00 0.00 58.31 58.77 1ugk n LYS 67 Cb 0.51 -5.19 -0.04 0.00 -0.02 0.00 0.00 35.03 30.30 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 -1.69 -0.14 0.03 -0.18 -1.32 0.97 -4.83 115.64 108.47 1ugk s THR 68 Ca 0.02 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.65 1ugk s THR 68 Cb -0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1ugk s THR 68 CO 0.75 0.00 1.52 -0.07 -2.21 0.00 0.00 174.62 174.61 1ugk h LEU 69 N 7.15 0.00 -6.60 9.08 3.38 -1.87 -3.36 115.31 123.09 1ugk h LEU 69 Ca -0.14 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.23 1ugk h LEU 69 Cb 1.13 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.46 1ugk h LEU 69 CO 0.06 0.56 -0.66 -0.90 0.09 0.00 0.00 178.44 177.59 1ugk n ASP 70 N -3.39 2.70 -4.76 -0.43 5.68 -1.26 -3.38 116.55 111.71 1ugk n ASP 70 Ca 0.01 -3.17 -0.40 0.00 -0.50 0.00 0.00 54.79 50.72 1ugk n ASP 70 Cb 0.69 -0.70 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ugk s PRO 71 N -1.66 4.66 -0.38 0.11 0.04 -1.24 -4.89 135.00 131.64 1ugk s PRO 71 Ca 0.32 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1ugk s PRO 71 Cb 0.05 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.50 1ugk s PRO 71 CO -0.11 0.24 0.12 0.00 0.04 0.00 0.00 177.00 177.29 1ugk s ALA 72 N -1.15 2.68 -0.03 8.56 0.00 -1.26 -2.09 121.76 128.47 1ugk s ALA 72 Ca 0.44 -2.55 -0.11 0.00 0.00 0.00 0.00 51.96 49.74 1ugk s ALA 72 Cb -0.31 -1.94 -0.31 0.00 0.00 0.00 0.00 23.12 20.55 1ugk s ALA 72 CO 0.40 -1.79 0.72 0.74 0.00 0.00 0.00 175.76 175.84 1ugk h PHE 73 N 7.38 0.74 -7.08 0.00 0.04 -1.80 -3.48 116.94 112.74 1ugk h PHE 73 Ca -0.06 -0.54 -0.62 0.00 2.80 0.00 0.00 57.97 59.55 1ugk h PHE 73 Cb 0.98 -0.03 -0.22 0.00 2.20 0.00 0.00 35.95 38.88 1ugk h PHE 73 CO 0.46 1.64 -0.96 -0.25 -0.60 0.00 0.00 178.31 178.60 1ugk n ASP 74 N -3.60 0.60 -4.92 2.17 9.92 -0.10 -4.90 116.55 115.72 1ugk n ASP 74 Ca -0.23 -1.26 -0.24 0.00 -0.53 0.00 0.00 54.79 52.53 1ugk n ASP 74 Cb 1.08 -1.66 0.06 0.00 -0.64 0.00 0.00 41.12 39.96 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ugk s GLU 75 N -7.34 2.27 -0.18 -1.24 0.41 -0.09 -4.81 118.70 107.72 1ugk s GLU 75 Ca 0.09 -0.52 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 1ugk s GLU 75 Cb -0.05 -2.30 0.06 0.00 -1.78 0.00 0.00 34.13 30.06 1ugk s GLU 75 CO 1.00 -1.07 0.45 0.99 -0.49 0.00 0.00 175.26 176.14 1ugk s THR 76 N -3.06 -0.02 -0.08 3.63 2.01 -1.26 0.62 115.64 117.47 1ugk s THR 76 Ca 0.60 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.71 1ugk s THR 76 Cb -0.10 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 1ugk s THR 76 CO 0.42 0.03 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.80 1ugk s PHE 77 N 1.24 2.34 0.17 4.92 0.08 -1.15 -4.97 117.98 120.61 1ugk s PHE 77 Ca -0.08 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.13 1ugk s PHE 77 Cb -0.07 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1ugk s PHE 77 CO -0.11 -0.34 0.22 0.99 -0.10 0.00 0.00 175.22 175.87 1ugk s THR 78 N 0.25 4.90 -0.19 0.64 2.01 -1.26 -1.86 115.64 120.14 1ugk s THR 78 Ca -0.14 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 1ugk s THR 78 Cb -0.16 -3.53 0.08 0.00 0.01 0.00 0.00 72.50 68.90 1ugk s THR 78 CO 0.07 -0.12 0.40 -0.36 -0.69 0.00 0.00 174.62 173.91 1ugk s PHE 79 N -1.78 -0.73 0.04 4.92 0.08 -0.01 -4.96 117.98 115.55 1ugk s PHE 79 Ca 0.33 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.82 1ugk s PHE 79 Cb -0.10 0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.57 1ugk s PHE 79 CO 0.26 -0.45 0.09 0.71 -0.10 0.00 0.00 175.22 175.73 1ugk s TYR 80 N 2.44 3.26 0.00 0.36 2.02 -1.26 -0.67 117.35 123.50 1ugk s TYR 80 Ca -0.02 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1ugk s TYR 80 Cb -0.12 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1ugk s TYR 80 CO -0.12 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 1ugk n GLY 81 N 0.72 1.62 3.67 0.71 0.00 -1.26 -5.04 105.19 105.62 1ugk n GLY 81 Ca -0.10 0.00 -0.42 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 -1.71 3.45 -1.42 -0.61 1.09 -1.26 -4.84 121.20 115.90 1ugk s ILE 82 Ca 0.00 0.68 0.00 0.00 -1.10 0.00 0.00 60.65 60.23 1ugk s ILE 82 Cb 0.00 -3.44 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1ugk s ILE 82 CO 0.00 -0.04 0.54 -0.81 -0.10 0.00 0.00 174.94 174.53 1ugk n PRO 83 N 6.51 0.75 0.00 2.79 -0.04 -1.26 -4.60 135.00 139.16 1ugk n PRO 83 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ugk n PRO 83 Cb 0.42 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.14 0.00 0.19 0.54 9.36 -1.26 -4.25 117.16 121.60 1ugk n TYR 84 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1ugk n TYR 84 Cb 0.11 0.00 0.62 0.00 -0.63 0.00 0.00 39.34 39.44 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 0.81 112.91 116.03 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 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1ugk h THR 85 CO 0.00 0.00 -0.66 -0.61 -0.25 0.00 0.00 175.52 174.00 1ugk h GLN 86 N 0.00 0.00 -0.58 4.72 4.15 -1.94 -3.35 115.11 118.11 1ugk h GLN 86 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1ugk h GLN 86 Cb 0.18 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.78 1ugk h GLN 86 CO 0.00 0.00 0.10 0.82 -1.93 0.00 0.00 178.83 177.82 1ugk h ILE 87 N 0.00 0.63 0.00 2.39 1.08 0.31 1.16 117.51 123.09 1ugk h ILE 87 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1ugk h ILE 87 Cb 0.76 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1ugk h ILE 87 CO 0.00 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.50 1ugk n GLN 88 N -5.15 0.04 -0.35 2.37 6.02 -1.26 -0.07 117.38 118.98 1ugk n GLN 88 Ca 0.08 0.45 0.11 0.00 -0.01 0.00 0.00 57.00 57.64 1ugk n GLN 88 Cb 0.31 -1.61 0.30 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.69 2.76 -2.09 -1.09 -0.58 0.40 -3.12 120.64 115.24 1ugk n GLU 89 Ca 0.01 -2.59 -0.06 0.00 -0.42 0.00 0.00 57.16 54.09 1ugk n GLU 89 Cb 0.07 -1.53 -0.00 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 1.50 0.00 -3.65 -4.62 4.77 0.90 -4.34 117.00 111.56 1ugk n LEU 90 Ca 0.23 -0.70 0.01 0.00 -0.03 0.00 0.00 56.01 55.52 1ugk n LEU 90 Cb 0.60 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1ugk n LEU 90 CO 0.16 -0.33 1.01 0.00 -1.33 0.00 0.00 177.39 176.90 1ugk s ALA 91 N -2.19 -2.56 -0.13 -1.18 0.00 0.37 -3.53 121.76 112.54 1ugk s ALA 91 Ca 0.07 1.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.88 1ugk s ALA 91 Cb -0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1ugk s ALA 91 CO 0.05 -0.28 0.18 -0.51 0.00 0.00 0.00 175.76 175.20 1ugk s LEU 92 N 0.86 4.35 -0.32 0.00 1.43 -0.97 0.19 118.68 124.23 1ugk s LEU 92 Ca -0.05 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1ugk s LEU 92 Cb -0.03 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1ugk s LEU 92 CO -0.11 0.33 0.01 -2.28 0.23 0.00 0.00 176.35 174.53 1ugk s HIS 93 N -0.66 3.49 -0.60 0.29 2.46 -0.95 -0.44 115.29 118.88 1ugk s HIS 93 Ca 0.15 -2.50 -0.20 0.00 0.47 0.00 0.00 55.06 52.98 1ugk s HIS 93 Cb -0.12 -2.50 0.10 0.00 -0.13 0.00 0.00 32.58 29.92 1ugk s HIS 93 CO 0.04 -0.90 0.75 -0.06 -2.47 0.00 0.00 174.74 172.10 1ugk s PHE 94 N 1.06 2.93 -0.29 3.88 0.08 0.41 -3.53 117.98 122.52 1ugk s PHE 94 Ca 0.01 -0.87 -0.19 0.00 0.12 0.00 0.00 56.93 56.00 1ugk s PHE 94 Cb -0.20 -4.06 -0.02 0.00 -0.57 0.00 0.00 43.02 38.17 1ugk s PHE 94 CO -0.05 -1.36 0.55 0.99 -0.10 0.00 0.00 175.22 175.25 1ugk s THR 95 N 2.96 5.02 -0.98 0.64 2.01 -0.95 0.12 115.64 124.45 1ugk s THR 95 Ca 0.14 0.77 -0.19 0.00 0.31 0.00 0.00 61.69 62.72 1ugk s THR 95 Cb -0.23 -3.91 0.12 0.00 0.01 0.00 0.00 72.50 68.50 1ugk s THR 95 CO 0.07 -0.04 1.21 -0.63 -0.69 0.00 0.00 174.62 174.54 1ugk s ILE 96 N 2.42 4.65 0.00 1.82 1.09 0.24 -1.75 121.20 129.66 1ugk s ILE 96 Ca 0.22 -1.60 0.00 0.00 -1.10 0.00 0.00 60.65 58.17 1ugk s ILE 96 Cb -0.15 -4.84 0.00 0.00 -1.06 0.00 0.00 42.46 36.41 1ugk s ILE 96 CO 0.11 -1.59 0.00 0.18 -0.10 0.00 0.00 174.94 173.54 1ugk n LEU 97 N 6.78 0.00 -3.34 2.97 4.32 -1.05 0.20 117.00 126.88 1ugk n LEU 97 Ca 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1ugk n LEU 97 Cb 0.49 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.54 -0.24 -0.10 -0.55 -1.22 0.00 0.00 177.39 175.82 1ugk s SER 98 N -1.00 0.74 0.24 -1.43 0.15 -1.01 -3.55 113.70 107.85 1ugk s SER 98 Ca 0.00 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.98 1ugk s SER 98 Cb 0.00 0.92 -0.09 0.00 -1.71 0.00 0.00 66.02 65.15 1ugk s SER 98 CO 0.00 -0.35 1.05 0.12 1.20 0.00 0.00 173.24 175.26 1ugk s PHE 99 N 2.49 3.70 -0.41 3.44 5.36 -0.33 -3.82 117.98 128.41 1ugk s PHE 99 Ca 0.10 1.74 0.05 0.00 -0.96 0.00 0.00 56.93 57.86 1ugk s PHE 99 Cb -0.13 -3.19 0.31 0.00 -0.34 0.00 0.00 43.02 39.67 1ugk s PHE 99 CO -0.28 -0.26 1.19 -0.25 -1.46 0.00 0.00 175.22 174.17 1ugk n ASP 100 N 1.59 -1.98 -0.34 6.13 9.92 -1.26 -3.70 116.55 126.92 1ugk n ASP 100 Ca -0.00 -2.95 0.02 0.00 -0.53 0.00 0.00 54.79 51.33 1ugk n ASP 100 Cb 0.46 1.60 -0.00 0.00 -0.64 0.00 0.00 41.12 42.53 1ugk n ASP 100 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ugk n ARG 101 N 0.61 -0.29 -2.91 -1.24 1.85 -1.26 -4.53 116.66 108.88 1ugk n ARG 101 Ca 0.02 0.19 -0.16 0.00 -1.00 0.00 0.00 57.85 56.90 1ugk n ARG 101 Cb 0.71 -0.36 -0.03 0.00 -1.05 0.00 0.00 32.46 31.73 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ugk n PHE 102 N -0.93 -1.21 0.00 2.89 3.01 -1.26 -2.19 117.46 117.77 1ugk n PHE 102 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1ugk n PHE 102 Cb 0.07 -1.08 0.00 0.00 -0.01 0.00 0.00 39.48 38.45 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 -1.41 0.00 -3.01 4.37 2.88 -1.26 -4.84 113.62 110.35 1ugk n SER 103 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1ugk n SER 103 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.40 -3.72 -1.46 5.12 -0.93 -4.22 116.66 111.06 1ugk n ARG 104 Ca 0.00 0.79 -0.33 0.00 -1.93 0.00 0.00 57.85 56.38 1ugk n ARG 104 Cb 0.00 -0.89 -0.08 0.00 -1.16 0.00 0.00 32.46 30.33 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ugk n ASP 105 N 1.49 3.83 -4.37 0.55 8.00 -1.26 -4.07 116.55 120.72 1ugk n ASP 105 Ca 0.00 -3.17 -0.46 0.00 0.71 0.00 0.00 54.79 51.88 1ugk n ASP 105 Cb 0.39 -0.95 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1ugk n ASP 105 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ugk s ASP 106 N -0.65 6.54 -0.59 -2.24 1.01 -1.25 -4.91 116.67 114.58 1ugk s ASP 106 Ca 0.27 -2.14 -0.26 0.00 0.71 0.00 0.00 52.55 51.13 1ugk s ASP 106 Cb -0.06 -2.28 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 1ugk s ASP 106 CO -0.14 -0.86 2.22 -0.63 0.21 0.00 0.00 175.17 175.97 1ugk s ILE 107 N 1.56 3.14 0.33 0.77 1.01 -1.26 -2.40 121.20 124.35 1ugk s ILE 107 Ca 0.19 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.95 1ugk s ILE 107 Cb -0.14 -3.35 0.08 0.00 0.01 0.00 0.00 42.46 39.07 1ugk s ILE 107 CO -0.04 -0.34 1.79 0.40 0.00 0.00 0.00 174.94 176.75 1ugk h ILE 108 N 7.43 1.26 -1.11 2.92 2.04 0.20 -3.47 117.51 126.79 1ugk h ILE 108 Ca -0.19 -1.24 0.37 0.00 1.00 0.00 0.00 64.86 64.79 1ugk h ILE 108 Cb 1.19 1.52 -0.15 0.00 -0.74 0.00 0.00 36.82 38.63 1ugk h ILE 108 CO 1.16 0.37 0.96 -0.83 0.00 0.00 0.00 178.15 179.81 1ugk s GLY 109 N -4.17 -0.42 -0.03 5.37 0.00 -0.47 -4.81 107.32 102.80 1ugk s GLY 109 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.85 1ugk s GLY 109 CO 0.75 0.27 -0.17 -0.54 0.00 0.00 0.00 173.10 173.41 1ugk s GLU 110 N -2.10 1.64 0.08 2.90 8.01 -1.26 0.80 118.70 128.77 1ugk s GLU 110 Ca 0.14 -0.61 0.06 0.00 0.01 0.00 0.00 54.97 54.57 1ugk s GLU 110 Cb 0.05 -1.47 -0.03 0.00 -4.31 0.00 0.00 34.13 28.37 1ugk s GLU 110 CO -0.05 0.29 -0.16 0.08 0.01 0.00 0.00 175.26 175.42 1ugk s VAL 111 N -0.11 1.25 -0.05 2.63 1.01 0.33 -4.62 120.40 120.84 1ugk s VAL 111 Ca -0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 1ugk s VAL 111 Cb -0.10 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ugk s VAL 111 CO 0.01 -0.19 0.20 -0.22 0.00 0.00 0.00 175.10 174.91 1ugk s LEU 112 N -1.78 1.25 -0.31 3.92 2.96 -1.26 0.15 118.68 123.61 1ugk s LEU 112 Ca -0.00 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1ugk s LEU 112 Cb -0.10 0.77 0.12 0.00 0.50 0.00 0.00 46.19 47.48 1ugk s LEU 112 CO 0.03 -0.19 0.17 -0.51 -1.32 0.00 0.00 176.35 174.52 1ugk s ILE 113 N -0.44 -0.03 -0.10 6.68 1.10 0.42 -4.96 121.20 123.87 1ugk s ILE 113 Ca -0.05 -1.06 -0.30 0.00 -0.51 0.00 0.00 60.65 58.73 1ugk s ILE 113 Cb -0.04 -1.02 -0.03 0.00 0.15 0.00 0.00 42.46 41.53 1ugk s ILE 113 CO 0.01 -0.80 1.24 -2.16 -2.11 0.00 0.00 174.94 171.12 1ugk s PRO 114 N 1.76 4.30 0.00 3.50 0.04 -1.26 -2.29 135.00 141.05 1ugk s PRO 114 Ca 0.12 1.69 0.26 0.00 0.04 0.00 0.00 61.00 63.11 1ugk s PRO 114 Cb -0.18 -3.65 1.56 0.00 0.04 0.00 0.00 34.50 32.27 1ugk s PRO 114 CO -0.24 -0.57 1.92 1.28 0.04 0.00 0.00 177.00 179.44 1ugk n LEU 115 N 5.81 0.00 -4.26 -3.56 4.77 -1.23 -4.54 117.00 113.98 1ugk n LEU 115 Ca 0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1ugk n LEU 115 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1ugk n LEU 115 CO 0.56 0.00 1.36 -1.54 -1.33 0.00 0.00 177.39 176.43 1ugk n SER 116 N -0.99 1.79 0.00 -1.43 3.41 -1.18 -1.61 113.62 113.61 1ugk n SER 116 Ca 0.20 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1ugk n SER 116 Cb 0.09 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.62 1ugk n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugk n GLY 117 N 5.66 4.43 3.47 5.00 0.00 -1.26 -5.04 105.19 117.44 1ugk n GLY 117 Ca 0.44 -0.84 -0.47 0.00 0.00 0.00 0.00 46.02 45.15 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 1.88 -3.90 -0.61 2.08 -0.63 -4.92 119.36 113.25 1ugk n ILE 118 Ca 0.00 -0.47 -0.34 0.00 0.56 0.00 0.00 62.75 62.50 1ugk n ILE 118 Cb 0.00 -0.33 -0.13 0.00 -0.75 0.00 0.00 39.64 38.43 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 -1.10 2.01 0.06 0.38 2.02 -1.26 -4.91 118.70 115.90 1ugk s GLU 119 Ca 0.64 -1.64 0.23 0.00 0.02 0.00 0.00 54.97 54.22 1ugk s GLU 119 Cb -0.87 -3.32 0.12 0.00 0.10 0.00 0.00 34.13 30.16 1ugk s GLU 119 CO 0.57 -0.87 1.10 1.28 0.02 0.00 0.00 175.26 177.36 1ugk n LEU 120 N 4.50 0.63 -0.11 1.80 4.77 -1.26 -4.46 117.00 122.86 1ugk n LEU 120 Ca -0.05 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1ugk n LEU 120 Cb 0.42 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1ugk n LEU 120 CO 0.27 0.03 0.30 -0.24 -1.33 0.00 0.00 177.39 176.43 1ugk n SER 121 N -1.96 -0.28 -0.39 -1.43 2.88 -1.26 0.81 113.62 111.99 1ugk n SER 121 Ca 0.02 0.81 -0.09 0.00 -1.33 0.00 0.00 58.87 58.29 1ugk n SER 121 Cb 0.43 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 1ugk n SER 121 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1ugk h GLU 122 N 0.00 -0.03 0.00 -1.46 4.39 -2.03 -3.47 114.58 111.98 1ugk h GLU 122 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ugk h GLU 122 Cb 0.11 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ugk h GLU 122 CO -0.25 -0.02 0.00 0.41 -1.16 0.00 0.00 179.01 177.99 1ugk n GLY 123 N -1.31 -0.75 3.77 -3.84 0.00 0.24 -5.13 105.19 98.18 1ugk n GLY 123 Ca 0.03 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.11 4.63 -0.01 1.61 2.20 -1.26 -4.58 119.74 121.22 1ugk s LYS 124 Ca 0.00 1.28 0.04 0.00 -0.36 0.00 0.00 55.97 56.93 1ugk s LYS 124 Cb 0.00 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1ugk s LYS 124 CO 0.00 0.44 -0.12 0.00 -0.36 0.00 0.00 175.35 175.31 1ugk s MET 125 N -1.57 0.93 -0.05 4.03 0.23 -0.66 -4.98 119.30 117.22 1ugk s MET 125 Ca 0.43 -0.43 -0.14 0.00 -1.03 0.00 0.00 55.69 54.52 1ugk s MET 125 Cb -0.22 -0.90 -0.05 0.00 -1.53 0.00 0.00 34.83 32.14 1ugk s MET 125 CO 0.27 0.24 0.37 -1.17 -2.03 0.00 0.00 175.02 172.70 1ugk s LEU 126 N -0.32 4.41 0.04 0.18 1.98 -1.26 -1.60 118.68 122.10 1ugk s LEU 126 Ca 0.04 0.82 -0.06 0.00 -2.89 0.00 0.00 54.13 52.04 1ugk s LEU 126 Cb -0.05 -2.51 -0.01 0.00 0.66 0.00 0.00 46.19 44.29 1ugk s LEU 126 CO -0.00 0.27 0.11 -0.04 -1.89 0.00 0.00 176.35 174.79 1ugk s MET 127 N -0.65 0.60 -0.00 1.98 -1.94 0.73 -4.98 119.30 115.03 1ugk s MET 127 Ca 0.22 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1ugk s MET 127 Cb -0.15 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.92 1ugk s MET 127 CO 0.10 -0.15 -0.06 0.54 -0.01 0.00 0.00 175.02 175.44 1ugk s ASN 128 N -2.12 0.68 0.11 3.03 2.20 -1.26 -1.31 114.94 116.27 1ugk s ASN 128 Ca -0.05 -0.14 0.08 0.00 -0.94 0.00 0.00 52.86 51.82 1ugk s ASN 128 Cb -0.01 -0.07 -0.04 0.00 -2.00 0.00 0.00 41.25 39.14 1ugk s ASN 128 CO -0.05 0.05 -0.21 -0.13 -2.94 0.00 0.00 177.10 173.82 1ugk s ARG 129 N -0.25 1.15 0.17 3.55 1.81 0.35 -4.95 118.95 120.78 1ugk s ARG 129 Ca 0.01 -1.19 -0.08 0.00 -1.72 0.00 0.00 55.73 52.75 1ugk s ARG 129 Cb -0.03 -1.40 -0.06 0.00 -0.45 0.00 0.00 34.95 33.00 1ugk s ARG 129 CO -0.00 0.32 0.46 -1.83 -0.68 0.00 0.00 175.30 173.57 1ugk s GLU 130 N -2.00 3.74 -0.30 3.54 -1.05 -1.26 -0.07 118.70 121.29 1ugk s GLU 130 Ca 0.08 0.13 -0.06 0.00 -0.15 0.00 0.00 54.97 54.97 1ugk s GLU 130 Cb -0.10 -2.79 0.02 0.00 -0.44 0.00 0.00 34.13 30.82 1ugk s GLU 130 CO 0.05 0.42 0.07 0.42 0.95 0.00 0.00 175.26 177.17 1ugk s ILE 131 N -1.68 3.85 0.11 1.83 1.01 0.84 -4.84 121.20 122.32 1ugk s ILE 131 Ca 0.42 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1ugk s ILE 131 Cb -0.12 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 1ugk s ILE 131 CO 0.22 0.04 0.03 2.30 0.00 0.00 0.00 174.94 177.52 1ugk n ILE 132 N 4.84 0.00 -2.67 2.92 -6.64 -1.26 -3.06 119.36 113.49 1ugk n ILE 132 Ca -0.14 -0.58 -0.43 0.00 -1.77 0.00 0.00 62.75 59.82 1ugk n ILE 132 Cb 0.47 0.18 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 -1.70 5.20 -1.32 7.28 2.88 -1.26 -3.98 113.62 120.71 1ugk n SER 133 Ca -0.02 -3.05 0.13 0.00 -1.33 0.00 0.00 58.87 54.60 1ugk n SER 133 Cb 0.15 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.02 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 3.38 -3.43 3.76 0.46 0.00 -1.26 -4.83 105.19 103.27 1ugk n GLY 134 Ca 0.38 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.36 4.64 -0.18 1.61 0.04 -1.26 -5.04 135.00 130.45 1ugk s PRO 135 Ca 0.00 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1ugk s PRO 135 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1ugk s PRO 135 CO 0.00 0.23 -0.09 0.45 0.04 0.00 0.00 177.00 177.63 1ugk s SER 136 N -0.95 4.05 0.00 6.66 0.15 -1.26 -4.80 113.70 117.54 1ugk s SER 136 Ca 0.45 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ugk s SER 136 Cb -0.31 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1ugk s SER 136 CO 0.39 0.05 0.00 -0.24 1.20 0.00 0.00 173.24 174.64 1ugk n SER 137 N 4.33 0.00 0.00 5.45 2.88 -1.26 -5.27 113.62 119.74 1ugk n SER 137 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1ugk n SER 137 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42