#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 -0.94 -0.28 1.61 0.15 -1.26 -5.16 113.70 107.82 1ugk s SER 2 Ca 0.00 -0.08 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 1ugk s SER 2 Cb 0.00 1.46 0.19 0.00 -1.71 0.00 0.00 66.02 65.96 1ugk s SER 2 CO 0.00 -0.15 1.35 -0.94 1.20 0.00 0.00 173.24 174.70 1ugk s SER 3 N 2.57 -0.06 -0.29 5.45 1.04 -1.26 -5.17 113.70 115.98 1ugk s SER 3 Ca 0.18 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.55 1ugk s SER 3 Cb -0.04 0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.25 1ugk s SER 3 CO -0.20 -0.05 0.69 -0.83 0.98 0.00 0.00 173.24 173.83 1ugk s GLY 4 N -0.81 -0.64 0.26 7.32 0.00 -1.26 -5.11 107.32 107.08 1ugk s GLY 4 Ca 0.08 2.44 0.01 0.00 0.00 0.00 0.00 44.72 47.25 1ugk s GLY 4 CO -0.09 2.63 0.11 -0.56 0.00 0.00 0.00 173.10 175.19 1ugk s SER 5 N 2.03 1.20 0.28 1.64 0.01 -1.26 -4.98 113.70 112.62 1ugk s SER 5 Ca -0.09 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1ugk s SER 5 Cb -0.07 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1ugk s SER 5 CO -0.19 -0.76 0.00 -1.20 0.41 0.00 0.00 173.24 171.49 1ugk n SER 6 N -0.54 -6.04 -4.72 2.44 7.64 -1.26 -4.72 113.62 106.42 1ugk n SER 6 Ca 0.00 0.53 -0.36 0.00 1.01 0.00 0.00 58.87 60.06 1ugk n SER 6 Cb 0.66 -3.43 -0.08 0.00 -1.01 0.00 0.00 64.21 60.35 1ugk n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ugk s GLY 7 N -5.56 2.13 0.00 0.23 0.00 -1.26 -4.91 107.32 97.95 1ugk s GLY 7 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1ugk s GLY 7 CO 0.00 0.32 0.16 1.04 0.00 0.00 0.00 173.10 174.62 1ugk n LEU 8 N 3.61 0.20 0.00 0.66 7.99 -1.10 -5.01 117.00 123.35 1ugk n LEU 8 Ca -0.14 0.16 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1ugk n LEU 8 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1ugk n LEU 8 CO 0.38 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 1ugk n GLY 9 N 0.34 1.76 3.65 -0.72 0.00 -0.18 -4.24 105.19 105.79 1ugk n GLY 9 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.82 2.09 0.03 2.61 2.01 0.37 0.42 115.64 120.34 1ugk s THR 10 Ca 0.00 -1.92 0.04 0.00 0.31 0.00 0.00 61.69 60.12 1ugk s THR 10 Cb 0.00 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1ugk s THR 10 CO 0.00 -0.00 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.59 1ugk s LEU 11 N -3.76 2.14 -0.04 4.42 2.96 0.13 -2.18 118.68 122.34 1ugk s LEU 11 Ca 0.37 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1ugk s LEU 11 Cb 0.08 -0.48 -0.00 0.00 0.50 0.00 0.00 46.19 46.29 1ugk s LEU 11 CO 0.19 0.02 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.73 1ugk s PHE 12 N -0.73 1.48 0.24 5.38 0.08 -0.86 -1.48 117.98 122.09 1ugk s PHE 12 Ca 0.00 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.43 1ugk s PHE 12 Cb -0.07 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1ugk s PHE 12 CO 0.01 -0.14 0.77 -0.59 -0.10 0.00 0.00 175.22 175.17 1ugk s PHE 13 N 0.05 -0.20 -0.15 0.36 -0.71 -0.48 -1.33 117.98 115.53 1ugk s PHE 13 Ca -0.03 -0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 55.60 1ugk s PHE 13 Cb -0.10 0.68 0.07 0.00 -1.21 0.00 0.00 43.02 42.46 1ugk s PHE 13 CO 0.01 -1.12 0.26 -1.54 -1.34 0.00 0.00 175.22 171.49 1ugk s SER 14 N -2.91 0.53 0.35 1.98 1.04 -1.12 -0.09 113.70 113.48 1ugk s SER 14 Ca 0.11 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.75 1ugk s SER 14 Cb -0.05 0.66 -0.10 0.00 0.10 0.00 0.00 66.02 66.63 1ugk s SER 14 CO 0.05 -0.26 0.88 -0.76 0.98 0.00 0.00 173.24 174.13 1ugk s LEU 15 N 2.41 4.15 -0.26 2.42 1.43 -1.06 -2.76 118.68 125.01 1ugk s LEU 15 Ca 0.03 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1ugk s LEU 15 Cb -0.13 -4.15 0.15 0.00 0.03 0.00 0.00 46.19 42.09 1ugk s LEU 15 CO -0.09 -0.18 0.51 -0.70 0.23 0.00 0.00 176.35 176.11 1ugk s GLU 16 N -2.59 0.46 -0.08 1.70 2.12 0.57 -3.32 118.70 117.56 1ugk s GLU 16 Ca 0.54 0.94 -0.17 0.00 0.36 0.00 0.00 54.97 56.63 1ugk s GLU 16 Cb -0.14 0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 1ugk s GLU 16 CO 0.18 -0.50 0.47 -0.47 -0.54 0.00 0.00 175.26 174.40 1ugk s TYR 17 N 2.73 3.58 -0.78 5.30 6.14 -1.26 0.15 117.35 133.20 1ugk s TYR 17 Ca 0.10 0.93 -0.26 0.00 0.64 0.00 0.00 57.07 58.49 1ugk s TYR 17 Cb -0.14 -2.49 0.04 0.00 0.42 0.00 0.00 41.96 39.79 1ugk s TYR 17 CO -0.18 0.29 1.27 1.21 0.64 0.00 0.00 175.55 178.78 1ugk s ASN 18 N 0.16 6.23 0.25 4.32 2.47 0.36 -4.83 114.94 123.90 1ugk s ASN 18 Ca 0.26 -0.71 0.04 0.00 0.42 0.00 0.00 52.86 52.87 1ugk s ASN 18 Cb -0.16 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.39 1ugk s ASN 18 CO 0.11 -1.73 1.59 -0.26 -3.72 0.00 0.00 177.10 173.10 1ugk h PHE 19 N 9.91 0.34 -0.36 0.43 -1.00 -1.94 2.04 116.94 126.36 1ugk h PHE 19 Ca -0.19 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.46 1ugk h PHE 19 Cb 1.05 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1ugk h PHE 19 CO 1.14 0.76 0.21 1.49 -1.61 0.00 0.00 178.31 180.29 1ugk h GLU 20 N 0.21 0.50 -0.22 1.51 4.57 -1.96 -2.94 114.58 116.25 1ugk h GLU 20 Ca 0.00 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1ugk h GLU 20 Cb 1.03 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1ugk h GLU 20 CO 0.09 0.39 -0.04 0.54 -1.18 0.00 0.00 179.01 178.81 1ugk n ARG 21 N -4.78 2.26 -3.59 1.92 1.74 -1.18 -4.99 116.66 108.03 1ugk n ARG 21 Ca -0.00 -2.88 -0.22 0.00 -0.77 0.00 0.00 57.85 53.97 1ugk n ARG 21 Cb 0.06 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.88 -1.16 -4.47 5.56 4.01 0.57 -4.78 118.16 117.02 1ugk n LYS 22 Ca 0.23 0.53 -0.24 0.00 -0.51 0.00 0.00 58.31 58.32 1ugk n LYS 22 Cb 0.86 -1.77 -0.08 0.00 -0.51 0.00 0.00 35.03 33.54 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 -2.89 2.73 -0.13 7.82 0.00 0.49 -3.97 121.76 125.81 1ugk s ALA 23 Ca 0.04 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1ugk s ALA 23 Cb -0.02 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1ugk s ALA 23 CO 0.73 -0.40 -0.08 0.12 0.00 0.00 0.00 175.76 176.13 1ugk s PHE 24 N -3.26 1.61 -0.32 0.00 5.36 -0.22 0.14 117.98 121.28 1ugk s PHE 24 Ca 0.27 -0.86 -0.07 0.00 -0.96 0.00 0.00 56.93 55.31 1ugk s PHE 24 Cb 0.02 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.43 1ugk s PHE 24 CO 0.17 -0.55 0.11 0.08 -1.46 0.00 0.00 175.22 173.57 1ugk s VAL 25 N 1.67 4.01 -0.76 3.12 1.01 0.40 -1.21 120.40 128.63 1ugk s VAL 25 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1ugk s VAL 25 Cb -0.13 -3.17 0.20 0.00 0.00 0.00 0.00 36.38 33.28 1ugk s VAL 25 CO -0.08 -0.06 0.66 -0.69 0.00 0.00 0.00 175.10 174.92 1ugk s VAL 26 N 1.48 4.97 0.22 2.92 1.01 -0.86 -0.31 120.40 129.82 1ugk s VAL 26 Ca 0.01 -2.65 -0.30 0.00 0.00 0.00 0.00 61.98 59.04 1ugk s VAL 26 Cb -0.18 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1ugk s VAL 26 CO 0.03 -0.98 1.02 0.21 0.00 0.00 0.00 175.10 175.38 1ugk s ASN 27 N 1.65 7.45 -0.37 3.32 3.84 -1.11 -3.29 114.94 126.43 1ugk s ASN 27 Ca 0.18 2.05 0.01 0.00 0.21 0.00 0.00 52.86 55.30 1ugk s ASN 27 Cb -0.14 -2.61 0.10 0.00 -0.55 0.00 0.00 41.25 38.06 1ugk s ASN 27 CO -0.07 -0.03 0.12 -0.63 -2.79 0.00 0.00 177.10 173.70 1ugk s ILE 28 N -0.84 2.71 0.00 -5.21 1.01 -0.62 -2.79 121.20 115.45 1ugk s ILE 28 Ca 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.85 1ugk s ILE 28 Cb -0.28 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1ugk s ILE 28 CO 0.35 -0.64 0.00 1.17 0.00 0.00 0.00 174.94 175.82 1ugk n LYS 29 N 4.38 2.65 -4.08 2.79 4.81 -0.44 0.17 118.16 128.43 1ugk n LYS 29 Ca 0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.21 1ugk n LYS 29 Cb 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.40 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 2.27 0.04 1.64 -1.05 -1.23 -1.81 118.70 118.55 1ugk s GLU 30 Ca 0.00 -1.76 0.08 0.00 -0.15 0.00 0.00 54.97 53.14 1ugk s GLU 30 Cb 0.00 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.62 1ugk s GLU 30 CO 0.00 -0.07 -0.23 0.00 0.95 0.00 0.00 175.26 175.91 1ugk s ALA 31 N -2.56 1.92 -0.05 -0.84 0.00 -0.67 -2.02 121.76 117.54 1ugk s ALA 31 Ca 0.41 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1ugk s ALA 31 Cb 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ugk s ALA 31 CO 0.23 0.44 -0.08 1.03 0.00 0.00 0.00 175.76 177.39 1ugk s ARG 32 N -1.14 1.11 0.00 0.00 1.81 -0.93 -3.53 118.95 116.27 1ugk s ARG 32 Ca 0.09 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1ugk s ARG 32 Cb -0.09 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.40 1ugk s ARG 32 CO 0.02 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.03 1ugk n GLY 33 N 3.83 0.75 3.33 -3.53 0.00 -1.26 0.14 105.19 108.44 1ugk n GLY 33 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 4.06 0.09 0.99 1.43 -1.22 -1.01 118.68 123.02 1ugk s LEU 34 Ca 0.00 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.95 1ugk s LEU 34 Cb 0.00 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 1ugk s LEU 34 CO 0.00 -0.25 1.15 -2.16 0.23 0.00 0.00 176.35 175.32 1ugk s PRO 35 N 1.48 4.49 0.99 1.29 0.04 -1.26 -4.75 135.00 137.28 1ugk s PRO 35 Ca 0.01 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 35 Cb -0.18 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1ugk s PRO 35 CO 0.03 -0.14 -0.24 0.00 0.04 0.00 0.00 177.00 176.69 1ugk n ALA 36 N 3.44 -4.09 -0.03 8.56 0.00 -1.26 -4.95 120.51 122.17 1ugk n ALA 36 Ca 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 1ugk n ALA 36 Cb 0.47 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 0.11 2.22 -2.51 0.00 2.81 -1.26 -5.04 117.12 113.45 1ugk n MET 37 Ca 0.02 0.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.69 1ugk n MET 37 Cb 0.57 -1.14 0.06 0.00 -0.71 0.00 0.00 33.22 32.01 1ugk n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ugk s ASP 38 N -3.97 4.93 0.00 7.83 1.11 -1.26 -5.02 116.67 120.30 1ugk s ASP 38 Ca -0.05 0.04 0.04 0.00 0.18 0.00 0.00 52.55 52.75 1ugk s ASP 38 Cb 0.02 -0.74 0.05 0.00 1.07 0.00 0.00 42.92 43.32 1ugk s ASP 38 CO 0.20 -1.43 0.75 -0.62 1.18 0.00 0.00 175.17 175.25 1ugk n GLU 39 N -2.61 0.49 -0.01 8.23 1.02 -1.26 -4.63 120.64 121.87 1ugk n GLU 39 Ca 0.10 -0.99 -0.20 0.00 -0.02 0.00 0.00 57.16 56.05 1ugk n GLU 39 Cb 0.60 -1.08 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 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 0.71 0.17 -3.69 3.49 4.20 -1.97 -3.47 115.11 114.56 1ugk h GLN 40 Ca 0.00 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 1ugk h GLN 40 Cb 0.27 0.11 -0.24 0.00 0.30 0.00 0.00 27.48 27.92 1ugk h GLN 40 CO 0.00 1.14 -0.63 -1.12 -0.67 0.00 0.00 178.83 177.55 1ugk s SER 41 N -6.83 0.05 -1.14 1.46 0.01 -1.26 -5.05 113.70 100.94 1ugk s SER 41 Ca -0.19 -0.13 -0.14 0.00 1.31 0.00 0.00 55.95 56.80 1ugk s SER 41 Cb 0.02 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.32 1ugk s SER 41 CO 0.74 -0.18 2.23 0.80 0.41 0.00 0.00 173.24 177.25 1ugk n MET 42 N 2.29 2.39 -3.64 12.44 1.56 -1.26 -4.64 117.12 126.25 1ugk n MET 42 Ca -0.18 -2.02 -0.10 0.00 -0.27 0.00 0.00 57.70 55.14 1ugk n MET 42 Cb 0.57 -2.89 -0.02 0.00 2.15 0.00 0.00 33.22 33.03 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N 3.65 0.01 0.24 1.12 -1.32 -1.26 -4.84 115.64 113.23 1ugk s THR 43 Ca 0.52 -0.52 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 1ugk s THR 43 Cb 0.14 -1.48 0.06 0.00 -1.51 0.00 0.00 72.50 69.71 1ugk s THR 43 CO -0.01 -0.03 0.92 -0.44 -2.21 0.00 0.00 174.62 172.86 1ugk s SER 44 N -2.84 -0.07 -0.55 8.08 0.01 -1.08 -4.30 113.70 112.96 1ugk s SER 44 Ca 0.06 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.66 1ugk s SER 44 Cb -0.03 0.62 0.28 0.00 0.21 0.00 0.00 66.02 67.10 1ugk s SER 44 CO -0.04 -1.20 0.74 -0.90 0.41 0.00 0.00 173.24 172.25 1ugk n ASP 45 N -1.02 2.92 -4.82 2.44 5.68 -1.26 0.31 116.55 120.81 1ugk n ASP 45 Ca -0.05 -3.30 -0.31 0.00 -0.50 0.00 0.00 54.79 50.63 1ugk n ASP 45 Cb 0.60 -0.64 0.06 0.00 -1.14 0.00 0.00 41.12 40.00 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ugk s PRO 46 N -2.40 2.82 -0.18 0.11 0.04 -1.26 -3.53 135.00 130.59 1ugk s PRO 46 Ca 0.41 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1ugk s PRO 46 Cb 0.20 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.81 1ugk s PRO 46 CO -0.06 -1.17 0.57 1.52 0.04 0.00 0.00 177.00 177.90 1ugk s TYR 47 N -3.06 -0.60 0.12 0.56 1.13 0.73 -3.63 117.35 112.59 1ugk s TYR 47 Ca 0.58 1.41 -0.13 0.00 -1.41 0.00 0.00 57.07 57.52 1ugk s TYR 47 Cb -0.14 0.23 -0.07 0.00 -1.10 0.00 0.00 41.96 40.89 1ugk s TYR 47 CO 0.55 -0.35 0.50 0.42 -2.51 0.00 0.00 175.55 174.16 1ugk s ILE 48 N 0.01 4.92 -0.14 -3.49 1.01 -1.26 -2.66 121.20 119.58 1ugk s ILE 48 Ca -0.02 0.76 -0.00 0.00 0.00 0.00 0.00 60.65 61.38 1ugk s ILE 48 Cb -0.04 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1ugk s ILE 48 CO 0.02 0.29 -0.12 -0.54 0.00 0.00 0.00 174.94 174.59 1ugk s LYS 49 N -1.84 3.37 0.13 2.79 1.02 -1.05 -1.73 119.74 122.43 1ugk s LYS 49 Ca 0.35 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 1ugk s LYS 49 Cb -0.15 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1ugk s LYS 49 CO 0.18 0.15 0.35 1.41 -0.92 0.00 0.00 175.35 176.52 1ugk s MET 50 N 0.51 3.57 -0.25 1.68 1.75 0.33 -2.52 119.30 124.37 1ugk s MET 50 Ca -0.09 -0.18 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 1ugk s MET 50 Cb -0.16 -2.88 0.08 0.00 2.84 0.00 0.00 34.83 34.71 1ugk s MET 50 CO 0.04 0.49 0.62 0.99 -0.65 0.00 0.00 175.02 176.51 1ugk s THR 51 N -1.66 -0.03 -0.97 10.11 2.01 -1.22 -2.41 115.64 121.47 1ugk s THR 51 Ca 0.40 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1ugk s THR 51 Cb -0.12 -0.91 0.11 0.00 0.01 0.00 0.00 72.50 71.59 1ugk s THR 51 CO 0.26 0.01 1.23 -0.63 -0.69 0.00 0.00 174.62 174.79 1ugk s ILE 52 N 1.62 4.53 0.46 1.82 1.01 -1.21 -1.97 121.20 127.46 1ugk s ILE 52 Ca -0.10 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1ugk s ILE 52 Cb -0.06 -4.86 -0.06 0.00 0.01 0.00 0.00 42.46 37.49 1ugk s ILE 52 CO -0.18 -1.63 0.84 -0.76 0.00 0.00 0.00 174.94 173.21 1ugk s LEU 53 N 3.24 3.70 0.31 2.97 2.01 0.42 0.20 118.68 131.53 1ugk s LEU 53 Ca 0.37 1.21 0.16 0.00 0.01 0.00 0.00 54.13 55.87 1ugk s LEU 53 Cb -0.03 -4.13 0.40 0.00 0.01 0.00 0.00 46.19 42.44 1ugk s LEU 53 CO -0.09 -0.51 1.60 1.55 1.01 0.00 0.00 176.35 179.91 1ugk h PRO 54 N 0.87 0.00 0.00 1.29 0.13 -1.82 0.97 132.00 133.45 1ugk h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ugk h PRO 54 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.63 0.50 0.00 0.39 -0.23 0.00 0.00 178.00 179.28 1ugk n GLU 55 N -3.46 0.00 -1.00 0.86 4.71 -1.01 -4.69 120.64 116.06 1ugk n GLU 55 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1ugk n GLU 55 Cb 0.62 -0.17 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ugk n LYS 56 N -1.97 -0.03 0.00 3.49 4.81 0.54 -4.94 118.16 120.06 1ugk n LYS 56 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ugk n LYS 56 Cb 0.00 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.21 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 -1.54 1.64 4.76 -1.26 -4.42 118.16 114.80 1ugk n LYS 57 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1ugk n LYS 57 Cb 0.01 -0.67 -0.10 0.00 -1.84 0.00 0.00 35.03 32.43 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 -0.44 0.89 -3.59 2.13 8.25 -1.26 -4.86 115.22 116.34 1ugk n HIS 58 Ca 0.00 -0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 1ugk n HIS 58 Cb 0.00 -2.17 -0.11 0.00 1.12 0.00 0.00 29.99 28.83 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 8.43 3.65 0.04 -0.41 1.02 -1.26 -3.35 119.74 127.87 1ugk s LYS 59 Ca 0.97 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 56.48 1ugk s LYS 59 Cb -0.26 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1ugk s LYS 59 CO 0.18 -0.32 -0.13 0.14 -0.92 0.00 0.00 175.35 174.30 1ugk s VAL 60 N 1.71 0.99 0.27 3.17 -7.23 -1.01 -5.03 120.40 113.28 1ugk s VAL 60 Ca 0.06 -1.02 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 1ugk s VAL 60 Cb -0.17 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 1ugk s VAL 60 CO 0.10 -0.08 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.20 1ugk s LYS 61 N -1.25 1.50 -0.11 4.82 -2.85 -1.26 0.12 119.74 120.71 1ugk s LYS 61 Ca -0.01 -1.78 -0.03 0.00 -1.00 0.00 0.00 55.97 53.16 1ugk s LYS 61 Cb -0.08 -0.92 -0.03 0.00 -2.06 0.00 0.00 37.83 34.74 1ugk s LYS 61 CO 0.01 -0.06 0.00 0.95 0.10 0.00 0.00 175.35 176.36 1ugk s THR 62 N -3.21 4.28 0.20 3.79 -4.23 -0.71 -4.91 115.64 110.85 1ugk s THR 62 Ca 0.31 -0.25 -0.32 0.00 -1.18 0.00 0.00 61.69 60.25 1ugk s THR 62 Cb 0.06 -2.83 -0.15 0.00 1.34 0.00 0.00 72.50 70.91 1ugk s THR 62 CO 0.12 0.57 1.14 -1.14 -0.54 0.00 0.00 174.62 174.77 1ugk n ARG 63 N 2.58 1.23 -2.87 3.99 0.63 -1.26 -4.44 116.66 116.52 1ugk n ARG 63 Ca -0.18 0.44 -0.41 0.00 -0.92 0.00 0.00 57.85 56.78 1ugk n ARG 63 Cb 0.53 -1.92 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1ugk s VAL 64 N -0.34 4.94 1.12 5.15 -7.23 -1.26 -4.84 120.40 117.94 1ugk s VAL 64 Ca 0.70 1.75 -0.15 0.00 -1.81 0.00 0.00 61.98 62.47 1ugk s VAL 64 Cb -0.81 -4.18 0.25 0.00 0.56 0.00 0.00 36.38 32.19 1ugk s VAL 64 CO 0.53 0.18 1.07 -0.76 -0.31 0.00 0.00 175.10 175.82 1ugk s LEU 65 N 1.08 0.98 -0.17 1.32 2.01 -1.24 -4.97 118.68 117.69 1ugk s LEU 65 Ca 0.44 1.04 -0.00 0.00 0.01 0.00 0.00 54.13 55.62 1ugk s LEU 65 Cb -0.19 -2.99 -0.00 0.00 0.01 0.00 0.00 46.19 43.02 1ugk s LEU 65 CO 0.22 -3.77 -0.14 -0.13 1.01 0.00 0.00 176.35 173.53 1ugk s ARG 66 N -5.01 3.22 -0.24 1.70 1.81 -1.26 -4.27 118.95 114.90 1ugk s ARG 66 Ca 0.68 -0.73 -0.14 0.00 -1.72 0.00 0.00 55.73 53.81 1ugk s ARG 66 Cb -0.17 -2.69 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 1ugk s ARG 66 CO 0.58 -0.04 0.27 1.63 -0.68 0.00 0.00 175.30 177.06 1ugk n LYS 67 N 4.24 -1.60 -3.59 3.54 5.02 -1.20 -4.98 118.16 119.59 1ugk n LYS 67 Ca -0.19 1.50 -0.06 0.00 -2.02 0.00 0.00 58.31 57.53 1ugk n LYS 67 Cb 0.51 -2.67 -0.04 0.00 -0.02 0.00 0.00 35.03 32.82 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 -1.45 0.00 -0.07 -0.18 -1.32 0.15 -4.79 115.64 107.97 1ugk s THR 68 Ca 0.15 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.77 1ugk s THR 68 Cb -0.02 -1.00 -0.22 0.00 -1.51 0.00 0.00 72.50 69.75 1ugk s THR 68 CO 0.50 0.00 0.23 0.18 -2.21 0.00 0.00 174.62 173.32 1ugk n LEU 69 N 0.39 0.00 -3.89 9.08 4.77 -1.26 -2.62 117.00 123.47 1ugk n LEU 69 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1ugk n LEU 69 Cb 0.59 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1ugk n LEU 69 CO 0.11 0.13 -0.14 1.51 -1.33 0.00 0.00 177.39 177.68 1ugk s ASP 70 N -4.15 4.33 0.32 -1.43 1.47 -1.26 -3.42 116.67 112.54 1ugk s ASP 70 Ca -0.06 -3.29 -0.28 0.00 1.18 0.00 0.00 52.55 50.10 1ugk s ASP 70 Cb 0.08 -1.53 -0.09 0.00 -0.34 0.00 0.00 42.92 41.04 1ugk s ASP 70 CO 0.63 -0.18 1.07 -2.16 0.68 0.00 0.00 175.17 175.21 1ugk s PRO 71 N -0.65 4.49 -0.47 2.11 0.04 -1.23 -4.87 135.00 134.41 1ugk s PRO 71 Ca 0.21 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.95 1ugk s PRO 71 Cb -0.17 -2.96 0.13 0.00 0.04 0.00 0.00 34.50 31.54 1ugk s PRO 71 CO -0.07 0.11 0.23 0.00 0.04 0.00 0.00 177.00 177.31 1ugk s ALA 72 N -1.34 2.81 -0.01 8.56 0.00 -1.26 -1.67 121.76 128.85 1ugk s ALA 72 Ca 0.49 -2.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.32 1ugk s ALA 72 Cb -0.28 -2.04 -0.32 0.00 0.00 0.00 0.00 23.12 20.48 1ugk s ALA 72 CO 0.36 -2.01 0.97 0.74 0.00 0.00 0.00 175.76 175.82 1ugk h PHE 73 N 6.69 0.76 -6.92 0.00 0.04 -1.77 -3.47 116.94 112.26 1ugk h PHE 73 Ca -0.05 -0.53 -0.58 0.00 2.80 0.00 0.00 57.97 59.60 1ugk h PHE 73 Cb 0.91 -0.04 -0.30 0.00 2.20 0.00 0.00 35.95 38.73 1ugk h PHE 73 CO 0.50 1.40 -0.87 -3.47 -0.60 0.00 0.00 178.31 175.27 1ugk n ASP 74 N -3.96 -0.70 -3.35 2.17 -0.08 0.13 -4.88 116.55 105.87 1ugk n ASP 74 Ca -0.15 -1.17 -0.17 0.00 -1.51 0.00 0.00 54.79 51.79 1ugk n ASP 74 Cb 0.92 -1.48 0.11 0.00 2.34 0.00 0.00 41.12 43.01 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ugk n GLU 75 N -4.01 -0.43 -3.65 -0.67 1.02 -0.53 -4.80 120.64 107.56 1ugk n GLU 75 Ca -0.05 -1.45 -0.06 0.00 -0.02 0.00 0.00 57.16 55.58 1ugk n GLU 75 Cb 0.51 -0.68 -0.07 0.00 -0.02 0.00 0.00 31.44 31.18 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ugk s THR 76 N -2.44 -0.30 -0.19 2.62 2.01 -1.26 -1.59 115.64 114.49 1ugk s THR 76 Ca 0.45 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1ugk s THR 76 Cb -0.02 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.60 1ugk s THR 76 CO 0.31 0.01 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.77 1ugk s PHE 77 N 1.99 2.44 0.41 4.92 0.08 -1.21 -4.98 117.98 121.64 1ugk s PHE 77 Ca -0.08 -1.57 -0.07 0.00 0.12 0.00 0.00 56.93 55.32 1ugk s PHE 77 Cb -0.08 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1ugk s PHE 77 CO -0.18 -0.74 0.73 0.99 -0.10 0.00 0.00 175.22 175.91 1ugk s THR 78 N 1.39 4.89 -0.23 0.64 2.01 -1.26 -2.04 115.64 121.04 1ugk s THR 78 Ca -0.00 0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 1ugk s THR 78 Cb -0.16 -3.78 0.12 0.00 0.01 0.00 0.00 72.50 68.69 1ugk s THR 78 CO -0.09 -0.60 0.39 -0.36 -0.69 0.00 0.00 174.62 173.26 1ugk s PHE 79 N -2.45 -0.81 0.24 4.92 0.08 -0.35 -4.95 117.98 114.66 1ugk s PHE 79 Ca 0.48 1.00 -0.05 0.00 0.12 0.00 0.00 56.93 58.48 1ugk s PHE 79 Cb -0.10 0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1ugk s PHE 79 CO 0.36 -0.66 0.49 0.71 -0.10 0.00 0.00 175.22 176.02 1ugk s TYR 80 N 2.56 3.47 0.00 0.36 2.02 -1.26 -1.05 117.35 123.44 1ugk s TYR 80 Ca 0.09 0.61 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1ugk s TYR 80 Cb -0.15 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1ugk s TYR 80 CO -0.15 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1ugk n GLY 81 N -0.58 3.01 3.56 0.71 0.00 -1.25 -5.02 105.19 105.61 1ugk n GLY 81 Ca -0.02 -0.99 -0.52 0.00 0.00 0.00 0.00 46.02 44.50 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 0.31 0.75 -0.61 -0.00 -1.26 -4.76 119.36 113.79 1ugk n ILE 82 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1ugk n ILE 82 Cb 0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 39.64 38.01 1ugk n ILE 82 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1ugk n PRO 83 N 7.23 0.75 0.00 0.38 -0.04 -1.26 -4.61 135.00 137.45 1ugk n PRO 83 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1ugk n PRO 83 Cb 0.23 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.18 0.00 0.29 0.54 9.36 -1.26 -4.18 117.16 122.10 1ugk n TYR 84 Ca 0.00 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.37 1ugk n TYR 84 Cb 0.21 0.00 0.79 0.00 -0.63 0.00 0.00 39.34 39.71 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 -2.00 1.46 112.91 116.70 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 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1ugk h THR 85 CO 0.00 0.00 -0.32 1.67 -0.25 0.00 0.00 175.52 176.62 1ugk n GLN 86 N -2.71 0.15 0.14 4.72 7.27 -1.26 -3.95 117.38 121.73 1ugk n GLN 86 Ca -0.02 -0.07 -0.14 0.00 0.07 0.00 0.00 57.00 56.84 1ugk n GLN 86 Cb 0.28 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.35 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 0.17 0.81 -1.01 1.69 1.08 0.17 0.04 117.51 120.47 1ugk h ILE 87 Ca 0.00 -0.11 0.27 0.00 -0.39 0.00 0.00 64.86 64.63 1ugk h ILE 87 Cb 0.48 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1ugk h ILE 87 CO 0.00 0.03 0.69 1.56 -0.69 0.00 0.00 178.15 179.73 1ugk h GLN 88 N -0.34 0.20 0.00 2.37 4.20 -1.69 1.01 115.11 120.87 1ugk h GLN 88 Ca -0.03 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 1ugk h GLN 88 Cb 0.26 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1ugk h GLN 88 CO 0.05 0.14 -0.79 0.93 -0.67 0.00 0.00 178.83 178.48 1ugk h GLU 89 N 0.21 0.00 0.00 1.46 4.39 -1.55 -1.94 114.58 117.15 1ugk h GLU 89 Ca 0.52 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.15 1ugk h GLU 89 Cb 1.65 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.34 1ugk h GLU 89 CO -0.14 0.79 0.00 1.28 -1.16 0.00 0.00 179.01 179.79 1ugk n LEU 90 N -3.35 0.00 0.00 1.33 4.32 0.35 -4.15 117.00 115.50 1ugk n LEU 90 Ca 0.01 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1ugk n LEU 90 Cb 0.83 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 1ugk n LEU 90 CO 0.44 -1.37 0.00 0.00 -1.22 0.00 0.00 177.39 175.24 1ugk n ALA 91 N -3.38 0.00 -1.95 -1.18 0.00 0.34 -3.91 120.51 110.43 1ugk n ALA 91 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1ugk n ALA 91 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 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 4.51 -0.29 0.00 1.43 -1.00 0.16 118.68 123.49 1ugk s LEU 92 Ca 0.00 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1ugk s LEU 92 Cb 0.00 -3.50 0.08 0.00 0.03 0.00 0.00 46.19 42.80 1ugk s LEU 92 CO 0.00 0.13 -0.02 -2.28 0.23 0.00 0.00 176.35 174.41 1ugk s HIS 93 N -1.30 3.09 -0.46 0.29 2.46 -0.83 -0.90 115.29 117.64 1ugk s HIS 93 Ca 0.40 -2.38 -0.18 0.00 0.47 0.00 0.00 55.06 53.37 1ugk s HIS 93 Cb -0.21 -2.19 0.04 0.00 -0.13 0.00 0.00 32.58 30.09 1ugk s HIS 93 CO 0.25 -0.88 0.50 -0.06 -2.47 0.00 0.00 174.74 172.09 1ugk s PHE 94 N 1.15 3.14 -0.42 3.88 0.08 0.30 -3.45 117.98 122.65 1ugk s PHE 94 Ca 0.01 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.42 1ugk s PHE 94 Cb -0.19 -3.18 0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1ugk s PHE 94 CO -0.08 -0.84 0.30 0.99 -0.10 0.00 0.00 175.22 175.49 1ugk s THR 95 N 2.26 5.02 -1.16 0.64 2.01 -1.05 0.22 115.64 123.58 1ugk s THR 95 Ca 0.12 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1ugk s THR 95 Cb -0.19 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.51 1ugk s THR 95 CO 0.12 -0.38 1.59 -0.63 -0.69 0.00 0.00 174.62 174.63 1ugk s ILE 96 N 1.62 4.02 0.37 1.82 1.09 0.16 -2.52 121.20 127.76 1ugk s ILE 96 Ca 0.04 -1.32 0.08 0.00 -1.10 0.00 0.00 60.65 58.35 1ugk s ILE 96 Cb -0.21 -5.13 -0.07 0.00 -1.06 0.00 0.00 42.46 36.00 1ugk s ILE 96 CO 0.08 -1.98 -0.04 -1.48 -0.10 0.00 0.00 174.94 171.41 1ugk s LEU 97 N 4.61 2.75 0.06 2.97 2.34 -1.09 -0.89 118.68 129.44 1ugk s LEU 97 Ca 0.50 -1.28 0.07 0.00 0.06 0.00 0.00 54.13 53.48 1ugk s LEU 97 Cb 0.02 -0.91 -0.04 0.00 -0.56 0.00 0.00 46.19 44.70 1ugk s LEU 97 CO -0.01 -0.33 -0.16 -0.55 -1.06 0.00 0.00 176.35 174.24 1ugk s SER 98 N -3.63 3.96 0.36 1.48 0.15 -0.55 -0.19 113.70 115.28 1ugk s SER 98 Ca 0.33 -0.43 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 1ugk s SER 98 Cb 0.06 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1ugk s SER 98 CO 0.17 0.23 0.60 0.12 1.20 0.00 0.00 173.24 175.55 1ugk s PHE 99 N -1.02 3.51 -0.26 3.44 5.36 -1.23 -3.64 117.98 124.13 1ugk s PHE 99 Ca 0.16 0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 56.33 1ugk s PHE 99 Cb -0.11 -2.01 0.18 0.00 -0.34 0.00 0.00 43.02 40.74 1ugk s PHE 99 CO 0.08 0.05 1.30 -0.51 -1.46 0.00 0.00 175.22 174.68 1ugk s ASP 100 N -3.89 -0.09 0.11 6.13 1.01 -1.26 -4.86 116.67 113.82 1ugk s ASP 100 Ca 0.42 0.09 -0.21 0.00 0.71 0.00 0.00 52.55 53.56 1ugk s ASP 100 Cb -0.10 0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.86 1ugk s ASP 100 CO 0.37 -0.09 1.33 0.54 0.21 0.00 0.00 175.17 177.52 1ugk n ARG 101 N 0.48 -0.30 -2.91 8.23 5.12 -1.26 -3.91 116.66 122.11 1ugk n ARG 101 Ca -0.01 1.31 -0.12 0.00 -1.93 0.00 0.00 57.85 57.09 1ugk n ARG 101 Cb 0.59 -1.93 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ugk n PHE 102 N -4.55 -1.34 0.83 -1.55 3.01 -1.26 -4.92 117.46 107.68 1ugk n PHE 102 Ca 0.01 -2.84 0.04 0.00 1.01 0.00 0.00 57.45 55.67 1ugk n PHE 102 Cb 0.18 0.67 0.13 0.00 -0.01 0.00 0.00 39.48 40.44 1ugk n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ugk n SER 103 N 0.22 1.92 -3.20 4.37 7.64 -1.25 -4.86 113.62 118.46 1ugk n SER 103 Ca 0.13 -2.13 -0.23 0.00 1.01 0.00 0.00 58.87 57.65 1ugk n SER 103 Cb 0.70 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.25 -4.78 -2.70 1.43 1.74 -1.26 -3.70 116.66 107.64 1ugk n ARG 104 Ca 0.09 0.77 -0.02 0.00 -0.77 0.00 0.00 57.85 57.93 1ugk n ARG 104 Cb 0.37 -5.61 -0.01 0.00 -1.02 0.00 0.00 32.46 26.18 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ugk n ASP 105 N -2.52 -6.03 -4.43 0.55 8.00 -1.26 -4.86 116.55 106.00 1ugk n ASP 105 Ca -0.07 1.42 -0.44 0.00 0.71 0.00 0.00 54.79 56.40 1ugk n ASP 105 Cb 0.59 -5.31 -0.00 0.00 -0.02 0.00 0.00 41.12 36.38 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 -1.38 7.07 0.39 -2.24 1.01 -1.24 -4.99 116.67 115.28 1ugk s ASP 106 Ca -0.08 -3.02 -0.23 0.00 0.71 0.00 0.00 52.55 49.93 1ugk s ASP 106 Cb 0.01 -2.36 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 1ugk s ASP 106 CO 0.78 -0.68 0.97 -0.63 0.21 0.00 0.00 175.17 175.82 1ugk s ILE 107 N 1.09 4.19 -0.22 0.77 1.01 -1.26 -1.48 121.20 125.29 1ugk s ILE 107 Ca 0.39 1.58 -0.05 0.00 0.00 0.00 0.00 60.65 62.57 1ugk s ILE 107 Cb -0.05 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 1ugk s ILE 107 CO -0.03 -0.08 -0.25 -0.38 0.00 0.00 0.00 174.94 174.20 1ugk n ILE 108 N -0.09 1.25 -3.81 2.92 5.41 -0.07 -4.91 119.36 120.05 1ugk n ILE 108 Ca 0.05 -0.39 -0.05 0.00 1.00 0.00 0.00 62.75 63.36 1ugk n ILE 108 Cb 0.52 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 -5.73 -0.02 0.09 7.39 0.00 -0.73 -4.80 107.32 103.52 1ugk s GLY 109 Ca -0.31 -0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.27 1ugk s GLY 109 CO 0.45 0.56 -0.18 -0.54 0.00 0.00 0.00 173.10 173.39 1ugk s GLU 110 N -2.92 0.99 0.02 2.90 2.02 -1.25 -0.66 118.70 119.79 1ugk s GLU 110 Ca 0.15 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1ugk s GLU 110 Cb -0.03 -1.14 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 1ugk s GLU 110 CO 0.05 0.26 -0.04 0.08 0.02 0.00 0.00 175.26 175.64 1ugk s VAL 111 N -1.22 0.23 -0.02 2.63 1.01 0.59 -4.45 120.40 119.16 1ugk s VAL 111 Ca 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1ugk s VAL 111 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ugk s VAL 111 CO 0.03 -0.28 0.05 -0.22 0.00 0.00 0.00 175.10 174.69 1ugk s LEU 112 N -0.98 1.71 -0.35 3.92 2.96 -1.26 0.11 118.68 124.79 1ugk s LEU 112 Ca -0.09 0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1ugk s LEU 112 Cb -0.07 0.16 0.12 0.00 0.50 0.00 0.00 46.19 46.89 1ugk s LEU 112 CO -0.00 -0.03 0.16 -0.51 -1.32 0.00 0.00 176.35 174.64 1ugk s ILE 113 N 0.16 0.75 -0.16 6.68 1.10 -0.08 -4.98 121.20 124.67 1ugk s ILE 113 Ca -0.01 -1.66 -0.29 0.00 -0.51 0.00 0.00 60.65 58.18 1ugk s ILE 113 Cb -0.02 -1.55 -0.02 0.00 0.15 0.00 0.00 42.46 41.02 1ugk s ILE 113 CO -0.00 -0.80 1.27 -2.16 -2.11 0.00 0.00 174.94 171.14 1ugk s PRO 114 N 1.27 4.23 0.00 3.50 0.04 -1.26 -2.37 135.00 140.42 1ugk s PRO 114 Ca 0.13 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.06 1ugk s PRO 114 Cb -0.20 -3.76 1.26 0.00 0.04 0.00 0.00 34.50 31.84 1ugk s PRO 114 CO -0.16 -0.70 1.76 1.28 0.04 0.00 0.00 177.00 179.22 1ugk n LEU 115 N 6.57 0.00 -4.57 -3.56 4.77 -1.25 -4.66 117.00 114.31 1ugk n LEU 115 Ca 0.14 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1ugk n LEU 115 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1ugk n LEU 115 CO 0.56 0.00 1.19 -0.55 -1.33 0.00 0.00 177.39 177.26 1ugk s SER 116 N -1.75 3.84 0.00 -1.43 0.15 -0.73 -0.68 113.70 113.10 1ugk s SER 116 Ca 0.32 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ugk s SER 116 Cb 0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1ugk s SER 116 CO 0.24 -4.14 0.00 0.61 1.20 0.00 0.00 173.24 171.15 1ugk n GLY 117 N 6.49 1.63 3.65 9.45 0.00 -1.26 -5.02 105.19 120.12 1ugk n GLY 117 Ca 0.44 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 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 1.48 -3.97 -0.61 2.08 0.15 -4.97 119.36 113.52 1ugk n ILE 118 Ca 0.00 -0.37 -0.31 0.00 0.56 0.00 0.00 62.75 62.63 1ugk n ILE 118 Cb 0.00 -1.33 -0.16 0.00 -0.75 0.00 0.00 39.64 37.41 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 -1.09 1.78 -0.20 0.38 -1.05 -1.26 -4.83 118.70 112.42 1ugk s GLU 119 Ca 0.63 -1.02 0.15 0.00 -0.15 0.00 0.00 54.97 54.58 1ugk s GLU 119 Cb -0.66 -2.61 0.71 0.00 -0.44 0.00 0.00 34.13 31.13 1ugk s GLU 119 CO 0.56 -0.57 1.62 1.28 0.95 0.00 0.00 175.26 179.10 1ugk n LEU 120 N 4.64 4.98 -0.15 1.83 4.77 -1.26 -4.46 117.00 127.35 1ugk n LEU 120 Ca -0.13 -2.92 -0.10 0.00 -0.03 0.00 0.00 56.01 52.83 1ugk n LEU 120 Cb 0.44 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1ugk n LEU 120 CO 0.19 0.66 0.79 0.28 -1.33 0.00 0.00 177.39 177.98 1ugk h SER 121 N 3.20 0.77 0.43 -1.43 0.02 -1.98 -3.28 113.55 111.30 1ugk h SER 121 Ca 0.00 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1ugk h SER 121 Cb 1.74 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1ugk h SER 121 CO 0.37 0.90 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.41 1ugk h GLU 122 N 0.63 -0.58 0.00 3.45 5.08 -2.03 -3.49 114.58 117.64 1ugk h GLU 122 Ca 0.12 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ugk h GLU 122 Cb 0.51 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ugk h GLU 122 CO 0.02 -0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.06 1ugk n GLY 123 N -1.30 2.50 3.81 -3.84 0.00 -1.24 -5.15 105.19 99.98 1ugk n GLY 123 Ca -0.07 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 3.15 3.99 -0.05 1.61 2.20 -1.26 -4.64 119.74 124.74 1ugk s LYS 124 Ca 0.00 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.01 1ugk s LYS 124 Cb 0.00 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1ugk s LYS 124 CO 0.00 0.59 -0.05 0.00 -0.36 0.00 0.00 175.35 175.53 1ugk s MET 125 N -0.76 0.90 0.43 4.03 0.23 -1.21 -5.05 119.30 117.88 1ugk s MET 125 Ca 0.23 -0.13 -0.05 0.00 -1.03 0.00 0.00 55.69 54.71 1ugk s MET 125 Cb -0.16 -0.88 -0.04 0.00 -1.53 0.00 0.00 34.83 32.22 1ugk s MET 125 CO 0.12 -0.07 0.73 -1.17 -2.03 0.00 0.00 175.02 172.60 1ugk s LEU 126 N 0.87 3.76 0.14 0.18 0.20 -1.26 -2.55 118.68 120.01 1ugk s LEU 126 Ca -0.12 0.88 -0.17 0.00 0.69 0.00 0.00 54.13 55.41 1ugk s LEU 126 Cb -0.14 -3.80 0.04 0.00 -0.43 0.00 0.00 46.19 41.86 1ugk s LEU 126 CO 0.01 -0.47 0.45 -0.04 -0.29 0.00 0.00 176.35 176.00 1ugk s MET 127 N -4.41 1.15 0.12 1.98 -1.94 0.87 -4.96 119.30 112.11 1ugk s MET 127 Ca 0.47 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1ugk s MET 127 Cb -0.10 0.50 -0.04 0.00 2.01 0.00 0.00 34.83 37.19 1ugk s MET 127 CO 0.40 -0.46 -0.06 0.54 -0.01 0.00 0.00 175.02 175.43 1ugk s ASN 128 N -2.81 1.29 -0.01 3.03 4.22 -1.26 -1.39 114.94 118.02 1ugk s ASN 128 Ca 0.04 -1.04 -0.07 0.00 -2.14 0.00 0.00 52.86 49.64 1ugk s ASN 128 Cb 0.01 0.08 0.01 0.00 1.28 0.00 0.00 41.25 42.62 1ugk s ASN 128 CO -0.11 -0.46 0.15 -0.13 -2.04 0.00 0.00 177.10 174.51 1ugk s ARG 129 N -3.83 0.44 0.12 3.55 1.81 -0.55 -4.95 118.95 115.54 1ugk s ARG 129 Ca 0.16 -0.27 -0.13 0.00 -1.72 0.00 0.00 55.73 53.77 1ugk s ARG 129 Cb 0.05 0.19 -0.07 0.00 -0.45 0.00 0.00 34.95 34.67 1ugk s ARG 129 CO -0.02 -0.10 0.50 -1.83 -0.68 0.00 0.00 175.30 173.17 1ugk s GLU 130 N -1.11 3.90 -0.32 3.54 -1.05 -1.26 0.17 118.70 122.57 1ugk s GLU 130 Ca -0.12 0.38 -0.09 0.00 -0.15 0.00 0.00 54.97 54.99 1ugk s GLU 130 Cb -0.06 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1ugk s GLU 130 CO 0.01 0.51 0.14 0.42 0.95 0.00 0.00 175.26 177.30 1ugk s ILE 131 N -1.44 4.45 0.12 1.83 1.01 0.17 -4.84 121.20 122.50 1ugk s ILE 131 Ca 0.36 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1ugk s ILE 131 Cb -0.15 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1ugk s ILE 131 CO 0.19 0.02 0.03 2.30 0.00 0.00 0.00 174.94 177.48 1ugk n ILE 132 N 4.96 0.00 -2.42 2.92 -6.64 -1.26 -2.72 119.36 114.20 1ugk n ILE 132 Ca -0.14 -0.65 -0.43 0.00 -1.77 0.00 0.00 62.75 59.76 1ugk n ILE 132 Cb 0.48 0.20 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 -1.67 4.93 -1.15 7.28 2.88 -1.26 -3.87 113.62 120.75 1ugk n SER 133 Ca -0.03 -3.02 0.09 0.00 -1.33 0.00 0.00 58.87 54.58 1ugk n SER 133 Cb 0.17 -1.55 -0.05 0.00 -0.75 0.00 0.00 64.21 62.03 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 3.55 -3.42 3.55 0.46 0.00 -1.26 -4.59 105.19 103.48 1ugk n GLY 134 Ca 0.42 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.39 2.97 -0.86 1.61 0.04 -1.26 -4.93 135.00 128.18 1ugk s PRO 135 Ca 0.00 -0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.68 1ugk s PRO 135 Cb 0.00 -4.60 0.06 0.00 0.04 0.00 0.00 34.50 30.00 1ugk s PRO 135 CO 0.00 -2.55 1.27 0.45 0.04 0.00 0.00 177.00 176.21 1ugk s SER 136 N 6.07 6.37 -0.30 6.66 0.15 -1.26 -4.87 113.70 126.52 1ugk s SER 136 Ca 0.53 -1.18 -0.15 0.00 0.70 0.00 0.00 55.95 55.85 1ugk s SER 136 Cb -0.08 -2.51 0.18 0.00 -1.71 0.00 0.00 66.02 61.89 1ugk s SER 136 CO 0.10 -1.52 1.06 -0.55 1.20 0.00 0.00 173.24 173.53 1ugk s SER 137 N 4.18 -0.45 0.00 5.45 0.15 -1.26 -5.23 113.70 116.54 1ugk s SER 137 Ca 0.37 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1ugk s SER 137 Cb -0.06 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 1ugk s SER 137 CO 0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97