#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 2.88 0.23 1.61 0.15 -1.26 -5.00 113.70 112.31 1ugk s SER 2 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1ugk s SER 2 Cb 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1ugk s SER 2 CO 0.00 0.14 0.00 -1.54 1.20 0.00 0.00 173.24 173.04 1ugk n SER 3 N 1.18 -1.79 0.00 5.45 3.41 -1.26 -5.18 113.62 115.44 1ugk n SER 3 Ca -0.18 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1ugk n SER 3 Cb 0.53 1.88 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 1ugk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugk n GLY 4 N -0.91 -1.39 3.62 5.00 0.00 -1.26 -5.01 105.19 105.24 1ugk n GLY 4 Ca 0.00 -2.21 -0.47 0.00 0.00 0.00 0.00 46.02 43.34 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ugk n SER 5 N 0.00 1.92 -4.07 1.61 3.41 -1.26 -4.97 113.62 110.25 1ugk n SER 5 Ca 0.00 1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 59.65 1ugk n SER 5 Cb 0.00 -1.30 -0.08 0.00 -0.26 0.00 0.00 64.21 62.57 1ugk n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ugk s SER 6 N 0.11 0.08 0.30 4.04 0.15 -1.26 -5.18 113.70 111.95 1ugk s SER 6 Ca 0.71 -1.10 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1ugk s SER 6 Cb -0.77 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 63.91 1ugk s SER 6 CO 0.51 -0.91 0.06 -0.83 1.20 0.00 0.00 173.24 173.27 1ugk s GLY 7 N -3.05 1.94 0.00 9.45 0.00 -1.26 -4.98 107.32 109.42 1ugk s GLY 7 Ca 0.26 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1ugk s GLY 7 CO 0.06 -1.75 0.00 1.04 0.00 0.00 0.00 173.10 172.45 1ugk n LEU 8 N -0.61 0.00 0.00 0.66 4.77 -1.20 -4.98 117.00 115.65 1ugk n LEU 8 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1ugk n LEU 8 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1ugk n LEU 8 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ugk n GLY 9 N 4.81 2.78 3.55 -0.72 0.00 0.44 -4.22 105.19 111.82 1ugk n GLY 9 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.93 1.44 -0.04 2.61 2.01 0.43 0.27 115.64 119.43 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 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1ugk s THR 10 CO 0.00 0.00 0.03 -0.22 -0.69 0.00 0.00 174.62 173.74 1ugk s LEU 11 N -3.62 0.52 -0.03 4.42 1.98 -0.47 -2.59 118.68 118.89 1ugk s LEU 11 Ca 0.32 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.57 1ugk s LEU 11 Cb 0.08 -0.23 -0.04 0.00 0.66 0.00 0.00 46.19 46.66 1ugk s LEU 11 CO 0.15 -0.20 0.02 -0.36 -1.89 0.00 0.00 176.35 174.07 1ugk s PHE 12 N 1.82 3.14 0.08 5.38 0.08 -0.78 -1.99 117.98 125.71 1ugk s PHE 12 Ca 0.01 0.14 -0.27 0.00 0.12 0.00 0.00 56.93 56.93 1ugk s PHE 12 Cb -0.12 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 1ugk s PHE 12 CO -0.03 0.48 1.12 -0.59 -0.10 0.00 0.00 175.22 176.09 1ugk s PHE 13 N -1.04 -0.07 -0.12 0.36 -0.71 -0.46 -1.92 117.98 114.02 1ugk s PHE 13 Ca 0.18 -0.15 -0.07 0.00 -1.04 0.00 0.00 56.93 55.85 1ugk s PHE 13 Cb -0.12 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.34 1ugk s PHE 13 CO 0.08 -0.59 0.28 -1.54 -1.34 0.00 0.00 175.22 172.12 1ugk s SER 14 N -3.03 -0.32 0.13 1.98 1.04 -0.79 0.30 113.70 113.01 1ugk s SER 14 Ca 0.14 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.04 1ugk s SER 14 Cb 0.01 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 1ugk s SER 14 CO -0.00 -0.16 0.53 -0.76 0.98 0.00 0.00 173.24 173.83 1ugk s LEU 15 N 1.09 4.35 -0.23 2.42 2.01 -1.09 -1.87 118.68 125.36 1ugk s LEU 15 Ca -0.08 1.05 -0.11 0.00 0.01 0.00 0.00 54.13 55.00 1ugk s LEU 15 Cb -0.08 -3.20 0.09 0.00 0.01 0.00 0.00 46.19 43.00 1ugk s LEU 15 CO -0.08 0.12 0.53 -0.70 1.01 0.00 0.00 176.35 177.24 1ugk s GLU 16 N -1.89 0.49 -0.20 1.70 2.12 0.39 -2.88 118.70 118.44 1ugk s GLU 16 Ca 0.36 1.11 -0.08 0.00 0.36 0.00 0.00 54.97 56.72 1ugk s GLU 16 Cb -0.15 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 1ugk s GLU 16 CO 0.19 -0.19 0.08 -0.47 -0.54 0.00 0.00 175.26 174.33 1ugk s TYR 17 N 2.09 3.27 -1.08 5.30 5.04 -1.26 0.22 117.35 130.93 1ugk s TYR 17 Ca -0.07 0.10 -0.22 0.00 -2.44 0.00 0.00 57.07 54.44 1ugk s TYR 17 Cb -0.09 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.10 1ugk s TYR 17 CO -0.16 0.14 1.74 1.21 -1.34 0.00 0.00 175.55 177.14 1ugk s ASN 18 N 0.52 5.93 0.16 4.32 2.47 0.60 -4.79 114.94 124.14 1ugk s ASN 18 Ca 0.04 -1.50 -0.16 0.00 0.42 0.00 0.00 52.86 51.67 1ugk s ASN 18 Cb -0.12 -2.57 0.09 0.00 -1.45 0.00 0.00 41.25 37.20 1ugk s ASN 18 CO 0.01 -2.07 1.73 -0.26 -3.72 0.00 0.00 177.10 172.78 1ugk h PHE 19 N 9.71 0.14 -0.76 0.43 -1.00 -1.93 1.80 116.94 125.32 1ugk h PHE 19 Ca 0.23 0.02 0.08 0.00 2.81 0.00 0.00 57.97 61.11 1ugk h PHE 19 Cb 0.96 -0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.41 1ugk h PHE 19 CO 1.28 0.02 -0.56 1.05 -1.61 0.00 0.00 178.31 178.49 1ugk h GLU 20 N 0.21 -0.15 -0.68 1.51 4.11 -1.95 0.28 114.58 117.90 1ugk h GLU 20 Ca 0.18 0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.44 1ugk h GLU 20 Cb 0.21 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 1ugk h GLU 20 CO -0.24 -0.10 0.21 0.54 0.07 0.00 0.00 179.01 179.50 1ugk n ARG 21 N -5.31 3.72 -3.49 1.06 1.74 -1.02 -4.96 116.66 108.40 1ugk n ARG 21 Ca 0.00 -3.09 -0.20 0.00 -0.77 0.00 0.00 57.85 53.79 1ugk n ARG 21 Cb 0.30 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 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 -0.15 -1.20 -4.35 5.56 5.02 0.52 -4.83 118.16 118.74 1ugk n LYS 22 Ca 0.38 0.58 -0.18 0.00 -2.02 0.00 0.00 58.31 57.08 1ugk n LYS 22 Cb 1.33 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.54 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 -2.72 1.91 -0.13 7.82 0.00 0.35 -4.10 121.76 124.88 1ugk s ALA 23 Ca 0.01 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.14 1ugk s ALA 23 Cb -0.00 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1ugk s ALA 23 CO 0.69 -0.44 -0.17 0.12 0.00 0.00 0.00 175.76 175.96 1ugk s PHE 24 N -3.65 2.73 -0.14 0.00 5.36 0.98 0.22 117.98 123.50 1ugk s PHE 24 Ca 0.37 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 1ugk s PHE 24 Cb 0.07 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1ugk s PHE 24 CO 0.15 -0.37 -0.20 0.08 -1.46 0.00 0.00 175.22 173.42 1ugk s VAL 25 N 0.53 2.30 -0.51 3.12 1.01 0.60 -0.35 120.40 127.09 1ugk s VAL 25 Ca -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1ugk s VAL 25 Cb -0.16 -1.93 0.13 0.00 0.00 0.00 0.00 36.38 34.42 1ugk s VAL 25 CO 0.04 0.54 0.30 -0.69 0.00 0.00 0.00 175.10 175.29 1ugk s VAL 26 N 0.70 3.27 -0.09 2.92 1.01 -0.26 -0.46 120.40 127.48 1ugk s VAL 26 Ca -0.09 -2.65 -0.30 0.00 0.00 0.00 0.00 61.98 58.94 1ugk s VAL 26 Cb -0.16 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1ugk s VAL 26 CO 0.01 -0.78 1.01 0.21 0.00 0.00 0.00 175.10 175.55 1ugk s ASN 27 N 0.95 7.26 -0.46 3.32 3.84 -0.78 -2.91 114.94 126.16 1ugk s ASN 27 Ca 0.13 1.55 -0.08 0.00 0.21 0.00 0.00 52.86 54.68 1ugk s ASN 27 Cb -0.22 -2.56 0.12 0.00 -0.55 0.00 0.00 41.25 38.04 1ugk s ASN 27 CO -0.04 -0.43 0.31 -0.63 -2.79 0.00 0.00 177.10 173.53 1ugk s ILE 28 N 1.89 4.01 0.00 -5.21 1.01 -0.32 -1.89 121.20 120.69 1ugk s ILE 28 Ca 0.49 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1ugk s ILE 28 Cb -0.19 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ugk s ILE 28 CO 0.19 -0.75 0.00 1.17 0.00 0.00 0.00 174.94 175.55 1ugk n LYS 29 N 4.84 1.95 -4.12 2.79 4.81 -0.81 -0.06 118.16 127.56 1ugk n LYS 29 Ca -0.07 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.12 1ugk n LYS 29 Cb 0.41 0.00 -0.06 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 2.24 -0.03 1.64 -1.05 -1.24 -1.51 118.70 118.75 1ugk s GLU 30 Ca 0.00 -1.92 0.04 0.00 -0.15 0.00 0.00 54.97 52.94 1ugk s GLU 30 Cb 0.00 -1.98 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 1ugk s GLU 30 CO 0.00 -0.24 -0.16 0.00 0.95 0.00 0.00 175.26 175.82 1ugk s ALA 31 N -2.65 1.35 -0.04 -0.84 0.00 -0.96 -1.87 121.76 116.75 1ugk s ALA 31 Ca 0.36 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1ugk s ALA 31 Cb 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1ugk s ALA 31 CO 0.21 0.28 -0.12 1.03 0.00 0.00 0.00 175.76 177.16 1ugk s ARG 32 N -0.13 1.34 0.00 0.00 0.52 -1.07 -3.45 118.95 116.16 1ugk s ARG 32 Ca 0.01 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1ugk s ARG 32 Cb -0.09 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.20 1ugk s ARG 32 CO 0.01 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1ugk n GLY 33 N 3.43 0.77 3.37 -3.53 0.00 -1.26 0.16 105.19 108.13 1ugk n GLY 33 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1ugk n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugk s LEU 34 N 0.00 3.82 0.04 0.99 1.43 -1.25 -0.42 118.68 123.30 1ugk s LEU 34 Ca 0.00 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1ugk s LEU 34 Cb 0.00 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1ugk s LEU 34 CO 0.00 -0.17 1.17 -2.16 0.23 0.00 0.00 176.35 175.42 1ugk s PRO 35 N 1.53 4.44 0.87 1.29 0.04 -1.26 -4.77 135.00 137.15 1ugk s PRO 35 Ca 0.03 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1ugk s PRO 35 Cb -0.17 -3.38 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 1ugk s PRO 35 CO 0.03 -0.25 -0.13 0.00 0.04 0.00 0.00 177.00 176.69 1ugk n ALA 36 N 4.03 -3.64 -0.02 8.56 0.00 -1.26 -4.93 120.51 123.26 1ugk n ALA 36 Ca 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 1ugk n ALA 36 Cb 0.47 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 0.57 1.76 -1.91 0.00 2.81 -1.26 -5.01 117.12 114.08 1ugk n MET 37 Ca 0.04 -0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.81 1ugk n MET 37 Cb 0.53 -1.14 0.03 0.00 -0.71 0.00 0.00 33.22 31.93 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 -1.97 0.98 0.06 7.83 8.00 -1.26 -5.08 116.55 125.11 1ugk n ASP 38 Ca -0.05 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1ugk n ASP 38 Cb 0.44 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1ugk n ASP 38 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ugk n GLU 39 N -1.62 0.00 -0.32 -1.24 1.02 -1.26 -4.76 120.64 112.46 1ugk n GLU 39 Ca 0.08 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 1ugk n GLU 39 Cb 0.28 -0.37 0.22 0.00 -0.02 0.00 0.00 31.44 31.56 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ugk n GLN 40 N -3.39 -0.08 -3.91 3.49 6.02 -1.26 -3.71 117.38 114.54 1ugk n GLN 40 Ca 0.00 1.38 -0.29 0.00 -0.01 0.00 0.00 57.00 58.08 1ugk n GLN 40 Cb 0.07 -2.15 -0.16 0.00 1.02 0.00 0.00 30.24 29.01 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ugk s SER 41 N -5.08 3.11 -0.92 1.08 0.15 -1.26 -5.04 113.70 105.73 1ugk s SER 41 Ca -0.12 -0.80 -0.27 0.00 0.70 0.00 0.00 55.95 55.46 1ugk s SER 41 Cb 0.26 -1.00 -0.23 0.00 -1.71 0.00 0.00 66.02 63.34 1ugk s SER 41 CO 0.71 -0.19 2.00 0.23 1.20 0.00 0.00 173.24 177.19 1ugk n MET 42 N 4.82 0.37 -3.65 5.44 2.81 -1.24 -4.61 117.12 121.05 1ugk n MET 42 Ca -0.12 -1.73 0.02 0.00 -1.81 0.00 0.00 57.70 54.06 1ugk n MET 42 Cb 0.47 -3.66 -0.00 0.00 -0.71 0.00 0.00 33.22 29.32 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ugk s THR 43 N 14.42 0.00 0.23 2.03 -1.32 -1.26 -4.91 115.64 124.83 1ugk s THR 43 Ca 0.77 -0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.84 1ugk s THR 43 Cb -0.00 -2.11 0.07 0.00 -1.51 0.00 0.00 72.50 68.95 1ugk s THR 43 CO 0.20 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.63 1ugk s SER 44 N -3.07 -0.04 -0.70 8.08 1.04 -1.26 -3.99 113.70 113.76 1ugk s SER 44 Ca 0.16 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.91 1ugk s SER 44 Cb 0.05 0.59 0.23 0.00 0.10 0.00 0.00 66.02 66.99 1ugk s SER 44 CO -0.04 -1.15 0.74 0.47 0.98 0.00 0.00 173.24 174.24 1ugk n ASP 45 N -1.08 3.79 -4.79 7.02 8.00 -1.26 -2.07 116.55 126.17 1ugk n ASP 45 Ca -0.05 -3.38 -0.34 0.00 0.71 0.00 0.00 54.79 51.73 1ugk n ASP 45 Cb 0.60 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.21 3.88 -0.08 -0.24 0.04 -1.26 -2.30 135.00 132.82 1ugk s PRO 46 Ca 0.35 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 1ugk s PRO 46 Cb 0.09 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1ugk s PRO 46 CO -0.05 -0.37 0.21 1.52 0.04 0.00 0.00 177.00 178.35 1ugk s TYR 47 N -1.92 -0.24 -0.07 0.56 1.13 -1.23 -4.10 117.35 111.49 1ugk s TYR 47 Ca 0.65 0.58 -0.18 0.00 -1.41 0.00 0.00 57.07 56.72 1ugk s TYR 47 Cb -0.17 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.71 1ugk s TYR 47 CO 0.21 -0.12 0.49 0.42 -2.51 0.00 0.00 175.55 174.04 1ugk s ILE 48 N 0.24 5.09 -0.22 -3.49 1.01 -1.26 -2.55 121.20 120.02 1ugk s ILE 48 Ca -0.01 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 61.55 1ugk s ILE 48 Cb -0.03 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ugk s ILE 48 CO -0.01 0.40 0.07 -0.54 0.00 0.00 0.00 174.94 174.86 1ugk s LYS 49 N 0.08 3.79 0.12 2.79 1.02 -0.61 -1.12 119.74 125.80 1ugk s LYS 49 Ca 0.26 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 1ugk s LYS 49 Cb -0.16 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1ugk s LYS 49 CO 0.12 0.00 0.33 1.41 -0.92 0.00 0.00 175.35 176.30 1ugk s MET 50 N 1.11 3.58 -0.22 1.68 -2.45 0.53 -2.00 119.30 121.53 1ugk s MET 50 Ca 0.04 -0.17 -0.12 0.00 -1.25 0.00 0.00 55.69 54.20 1ugk s MET 50 Cb -0.14 -2.90 0.07 0.00 1.25 0.00 0.00 34.83 33.11 1ugk s MET 50 CO 0.03 0.51 0.53 0.99 1.05 0.00 0.00 175.02 178.13 1ugk s THR 51 N -1.61 -0.06 -0.94 10.11 2.01 -1.16 -1.85 115.64 122.13 1ugk s THR 51 Ca 0.39 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 1ugk s THR 51 Cb -0.12 -0.78 0.10 0.00 0.01 0.00 0.00 72.50 71.71 1ugk s THR 51 CO 0.25 0.02 1.23 -0.63 -0.69 0.00 0.00 174.62 174.81 1ugk s ILE 52 N 1.57 4.40 0.45 1.82 1.01 -0.90 -1.56 121.20 128.00 1ugk s ILE 52 Ca -0.09 -1.17 -0.08 0.00 0.00 0.00 0.00 60.65 59.30 1ugk s ILE 52 Cb -0.07 -4.87 -0.05 0.00 0.01 0.00 0.00 42.46 37.47 1ugk s ILE 52 CO -0.16 -1.66 0.79 -0.76 0.00 0.00 0.00 174.94 173.15 1ugk s LEU 53 N 3.64 3.71 0.42 2.97 1.43 0.54 0.22 118.68 131.61 1ugk s LEU 53 Ca 0.37 1.07 0.23 0.00 -1.03 0.00 0.00 54.13 54.77 1ugk s LEU 53 Cb -0.04 -3.99 0.67 0.00 0.03 0.00 0.00 46.19 42.86 1ugk s LEU 53 CO -0.08 -0.50 1.72 1.55 0.23 0.00 0.00 176.35 179.27 1ugk h PRO 54 N 0.73 0.00 -0.15 1.29 0.13 -1.81 1.50 132.00 133.69 1ugk h PRO 54 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ugk h PRO 54 CO 0.63 0.20 -0.09 0.39 -0.23 0.00 0.00 178.00 178.91 1ugk n GLU 55 N -3.25 -0.06 -0.92 0.86 1.02 -0.98 -4.67 120.64 112.63 1ugk n GLU 55 Ca 0.01 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ugk n GLU 55 Cb 0.50 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 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 -3.36 -0.19 0.05 3.49 4.81 0.61 -4.89 118.16 118.68 1ugk n LYS 56 Ca 0.00 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1ugk n LYS 56 Cb 0.04 -3.20 -0.01 0.00 0.02 0.00 0.00 35.03 31.87 1ugk n LYS 56 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ugk h LYS 57 N 1.67 -0.16 -5.55 1.64 1.63 -1.83 -3.41 116.57 110.55 1ugk h LYS 57 Ca 0.00 0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.56 1ugk h LYS 57 Cb 0.10 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1ugk h LYS 57 CO 0.00 -0.11 0.79 -1.01 -3.45 0.00 0.00 179.45 175.68 1ugk s HIS 58 N -2.17 1.26 -0.24 1.91 3.76 -1.26 -4.90 115.29 113.65 1ugk s HIS 58 Ca -0.02 1.55 -0.06 0.00 -0.15 0.00 0.00 55.06 56.38 1ugk s HIS 58 Cb 0.00 -3.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 1ugk s HIS 58 CO 0.07 -1.99 0.02 0.15 -0.85 0.00 0.00 174.74 172.15 1ugk s LYS 59 N 8.25 3.47 0.02 1.40 1.02 -1.26 -2.12 119.74 130.52 1ugk s LYS 59 Ca 0.89 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1ugk s LYS 59 Cb -0.13 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1ugk s LYS 59 CO 0.14 -0.22 -0.04 0.14 -0.92 0.00 0.00 175.35 174.45 1ugk s VAL 60 N 1.54 0.31 0.18 3.17 -7.23 -0.77 -5.02 120.40 112.58 1ugk s VAL 60 Ca 0.06 -0.57 0.09 0.00 -1.81 0.00 0.00 61.98 59.74 1ugk s VAL 60 Cb -0.15 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1ugk s VAL 60 CO 0.00 -0.18 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.85 1ugk s LYS 61 N -0.81 1.32 0.18 4.82 -2.85 -1.26 0.20 119.74 121.35 1ugk s LYS 61 Ca -0.06 -1.49 -0.13 0.00 -1.00 0.00 0.00 55.97 53.30 1ugk s LYS 61 Cb -0.06 -1.32 -0.07 0.00 -2.06 0.00 0.00 37.83 34.33 1ugk s LYS 61 CO -0.00 0.25 0.56 0.95 0.10 0.00 0.00 175.35 177.21 1ugk s THR 62 N -2.32 4.87 0.44 3.79 -4.23 -0.28 -4.94 115.64 112.97 1ugk s THR 62 Ca 0.19 0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 61.22 1ugk s THR 62 Cb -0.04 -3.69 -0.14 0.00 1.34 0.00 0.00 72.50 69.96 1ugk s THR 62 CO 0.07 0.12 0.21 -1.14 -0.54 0.00 0.00 174.62 173.35 1ugk n ARG 63 N 0.45 0.19 -2.94 3.99 0.63 -1.26 -4.55 116.66 113.16 1ugk n ARG 63 Ca -0.03 0.07 -0.44 0.00 -0.92 0.00 0.00 57.85 56.53 1ugk n ARG 63 Cb 0.52 -1.19 -0.04 0.00 0.45 0.00 0.00 32.46 32.20 1ugk n ARG 63 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ugk s VAL 64 N -1.68 4.54 1.07 5.15 1.01 -1.26 -4.79 120.40 124.44 1ugk s VAL 64 Ca 0.61 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1ugk s VAL 64 Cb -0.59 -4.64 0.14 0.00 0.00 0.00 0.00 36.38 31.29 1ugk s VAL 64 CO 0.61 -1.37 0.47 0.18 0.00 0.00 0.00 175.10 175.00 1ugk n LEU 65 N 7.11 -0.96 -4.15 3.92 7.99 -1.26 -5.00 117.00 124.65 1ugk n LEU 65 Ca -0.01 0.04 -0.31 0.00 -0.01 0.00 0.00 56.01 55.71 1ugk n LEU 65 Cb 0.45 -1.15 -0.17 0.00 -0.11 0.00 0.00 43.42 42.45 1ugk n LEU 65 CO 0.60 -3.17 -0.53 -0.13 -1.51 0.00 0.00 177.39 172.65 1ugk s ARG 66 N -3.85 2.83 -0.25 3.23 1.81 -1.26 -4.44 118.95 117.02 1ugk s ARG 66 Ca 0.60 -0.79 -0.18 0.00 -1.72 0.00 0.00 55.73 53.64 1ugk s ARG 66 Cb -0.19 -2.28 0.03 0.00 -0.45 0.00 0.00 34.95 32.06 1ugk s ARG 66 CO 0.65 -0.00 0.33 1.63 -0.68 0.00 0.00 175.30 177.24 1ugk n LYS 67 N 4.03 -1.37 -3.20 3.54 5.02 -1.24 -5.00 118.16 119.94 1ugk n LYS 67 Ca -0.20 1.29 0.04 0.00 -2.02 0.00 0.00 58.31 57.42 1ugk n LYS 67 Cb 0.52 -2.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.36 -0.11 0.16 -0.18 -1.32 -0.88 -4.91 115.64 107.05 1ugk s THR 68 Ca 0.19 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.79 1ugk s THR 68 Cb -0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 1ugk s THR 68 CO 0.49 0.00 1.55 -0.07 -2.21 0.00 0.00 174.62 174.38 1ugk h LEU 69 N 7.13 0.00 -7.39 9.08 -0.00 -1.86 -3.37 115.31 118.89 1ugk h LEU 69 Ca -0.13 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.08 1ugk h LEU 69 Cb 1.13 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 41.40 1ugk h LEU 69 CO 0.06 0.63 -0.46 1.51 -0.00 0.00 0.00 178.44 180.18 1ugk s ASP 70 N -6.67 4.92 0.69 -0.43 1.47 -1.26 -3.75 116.67 111.64 1ugk s ASP 70 Ca 0.00 -3.18 -0.11 0.00 1.18 0.00 0.00 52.55 50.44 1ugk s ASP 70 Cb 0.11 -1.75 0.00 0.00 -0.34 0.00 0.00 42.92 40.95 1ugk s ASP 70 CO 0.75 -0.25 1.06 -2.16 0.68 0.00 0.00 175.17 175.25 1ugk s PRO 71 N -0.53 2.97 -0.36 2.11 0.04 -1.22 -4.90 135.00 133.11 1ugk s PRO 71 Ca 0.19 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1ugk s PRO 71 Cb -0.18 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1ugk s PRO 71 CO -0.05 -1.07 0.21 0.00 0.04 0.00 0.00 177.00 176.12 1ugk s ALA 72 N -3.00 1.04 -0.03 8.56 0.00 -1.26 -2.27 121.76 124.80 1ugk s ALA 72 Ca 0.58 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1ugk s ALA 72 Cb -0.14 -1.62 -0.32 0.00 0.00 0.00 0.00 23.12 21.03 1ugk s ALA 72 CO 0.54 -2.08 0.89 0.74 0.00 0.00 0.00 175.76 175.85 1ugk h PHE 73 N 7.07 0.67 -6.83 0.00 0.04 -1.78 -3.47 116.94 112.64 1ugk h PHE 73 Ca 0.04 -0.49 -0.56 0.00 2.80 0.00 0.00 57.97 59.75 1ugk h PHE 73 Cb 0.97 -0.03 -0.29 0.00 2.20 0.00 0.00 35.95 38.80 1ugk h PHE 73 CO 0.44 1.41 -0.84 -3.47 -0.60 0.00 0.00 178.31 175.25 1ugk n ASP 74 N -3.98 -0.66 -3.96 2.17 2.03 0.91 -4.88 116.55 108.18 1ugk n ASP 74 Ca -0.16 -1.14 -0.21 0.00 0.52 0.00 0.00 54.79 53.80 1ugk n ASP 74 Cb 0.92 -1.44 0.13 0.00 -0.72 0.00 0.00 41.12 40.00 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ugk n GLU 75 N -3.92 -0.40 -3.66 -0.67 -0.58 -0.54 -4.82 120.64 106.06 1ugk n GLU 75 Ca -0.05 -2.10 -0.06 0.00 -0.42 0.00 0.00 57.16 54.52 1ugk n GLU 75 Cb 0.49 -0.78 -0.07 0.00 -0.57 0.00 0.00 31.44 30.51 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ugk s THR 76 N -2.90 -0.53 -0.14 2.62 2.01 -1.26 -1.17 115.64 114.26 1ugk s THR 76 Ca 0.59 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1ugk s THR 76 Cb -0.03 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1ugk s THR 76 CO 0.40 0.03 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.86 1ugk s PHE 77 N 2.30 2.79 0.22 4.92 0.08 -1.14 -4.94 117.98 122.21 1ugk s PHE 77 Ca -0.06 -0.85 0.03 0.00 0.12 0.00 0.00 56.93 56.16 1ugk s PHE 77 Cb -0.10 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1ugk s PHE 77 CO -0.16 -0.35 0.36 0.99 -0.10 0.00 0.00 175.22 175.95 1ugk s THR 78 N 0.61 5.25 -0.25 0.64 2.01 -1.26 -1.10 115.64 121.55 1ugk s THR 78 Ca -0.08 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 1ugk s THR 78 Cb -0.16 -3.80 0.11 0.00 0.01 0.00 0.00 72.50 68.66 1ugk s THR 78 CO 0.03 -0.25 0.53 -0.36 -0.69 0.00 0.00 174.62 173.87 1ugk s PHE 79 N -1.92 -1.08 0.25 4.92 0.08 0.52 -4.94 117.98 115.80 1ugk s PHE 79 Ca 0.36 1.88 -0.02 0.00 0.12 0.00 0.00 56.93 59.27 1ugk s PHE 79 Cb -0.10 0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 42.84 1ugk s PHE 79 CO 0.30 -0.59 0.46 0.71 -0.10 0.00 0.00 175.22 176.00 1ugk s TYR 80 N 2.75 3.48 0.00 0.36 2.02 -1.26 -0.01 117.35 124.69 1ugk s TYR 80 Ca -0.02 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 1ugk s TYR 80 Cb -0.12 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1ugk s TYR 80 CO -0.16 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1ugk n GLY 81 N -0.93 3.17 3.54 0.71 0.00 -1.26 -4.99 105.19 105.42 1ugk n GLY 81 Ca -0.04 -0.99 -0.53 0.00 0.00 0.00 0.00 46.02 44.46 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 0.25 0.85 -0.61 -0.00 -1.26 -4.75 119.36 113.84 1ugk n ILE 82 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1ugk n ILE 82 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 39.64 38.17 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 7.16 0.75 0.00 0.38 -0.04 -1.26 -4.61 135.00 137.37 1ugk n PRO 83 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1ugk n PRO 83 Cb 0.19 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.04 0.00 0.25 0.54 9.36 -1.26 -4.21 117.16 121.88 1ugk n TYR 84 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1ugk n TYR 84 Cb 0.16 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.59 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 1.27 112.91 116.50 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 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1ugk h THR 85 CO 0.00 0.00 -0.50 1.67 -0.25 0.00 0.00 175.52 176.44 1ugk n GLN 86 N -2.56 0.11 -0.23 4.72 7.27 -1.26 -3.84 117.38 121.59 1ugk n GLN 86 Ca -0.02 0.03 0.08 0.00 0.07 0.00 0.00 57.00 57.17 1ugk n GLN 86 Cb 0.23 -1.57 0.35 0.00 2.41 0.00 0.00 30.24 31.66 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1ugk h ILE 87 N 0.00 0.95 0.00 1.69 1.08 0.13 0.76 117.51 122.13 1ugk h ILE 87 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ugk h ILE 87 Cb 0.60 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1ugk h ILE 87 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 1ugk n GLN 88 N -4.51 0.18 -0.17 2.37 6.02 -1.25 -1.13 117.38 118.90 1ugk n GLN 88 Ca 0.14 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.34 1ugk n GLN 88 Cb 0.32 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.30 2.86 -2.80 -1.09 -0.58 0.26 -3.52 120.64 114.48 1ugk n GLU 89 Ca 0.06 -2.01 -0.15 0.00 -0.42 0.00 0.00 57.16 54.64 1ugk n GLU 89 Cb 0.12 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1ugk n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ugk n LEU 90 N 0.46 0.00 -3.41 -4.62 4.77 -0.28 -4.15 117.00 109.76 1ugk n LEU 90 Ca 0.11 -1.65 0.03 0.00 -0.03 0.00 0.00 56.01 54.47 1ugk n LEU 90 Cb 0.42 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1ugk n LEU 90 CO 0.07 -0.46 0.93 0.00 -1.33 0.00 0.00 177.39 176.61 1ugk s ALA 91 N -2.45 -2.95 -0.04 -1.18 0.00 0.51 -2.80 121.76 112.85 1ugk s ALA 91 Ca 0.19 1.90 -0.22 0.00 0.00 0.00 0.00 51.96 53.84 1ugk s ALA 91 Cb -0.02 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1ugk s ALA 91 CO 0.12 -0.66 0.63 -0.51 0.00 0.00 0.00 175.76 175.35 1ugk s LEU 92 N 1.60 4.36 -0.32 0.00 1.43 -0.54 0.20 118.68 125.41 1ugk s LEU 92 Ca -0.04 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 1ugk s LEU 92 Cb -0.02 -2.98 0.07 0.00 0.03 0.00 0.00 46.19 43.29 1ugk s LEU 92 CO -0.13 0.00 0.03 -2.28 0.23 0.00 0.00 176.35 174.20 1ugk s HIS 93 N 0.30 3.38 -0.25 0.29 2.46 -0.60 -0.56 115.29 120.31 1ugk s HIS 93 Ca 0.33 -2.16 -0.13 0.00 0.47 0.00 0.00 55.06 53.58 1ugk s HIS 93 Cb -0.18 -2.39 -0.04 0.00 -0.13 0.00 0.00 32.58 29.83 1ugk s HIS 93 CO 0.17 -0.86 0.26 -0.06 -2.47 0.00 0.00 174.74 171.78 1ugk s PHE 94 N 1.17 3.29 -0.20 3.88 0.08 0.18 -3.00 117.98 123.39 1ugk s PHE 94 Ca -0.01 0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1ugk s PHE 94 Cb -0.20 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1ugk s PHE 94 CO -0.03 -0.07 -0.11 0.99 -0.10 0.00 0.00 175.22 175.90 1ugk s THR 95 N 1.52 2.84 -0.98 0.64 2.01 -0.85 0.68 115.64 121.51 1ugk s THR 95 Ca 0.11 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1ugk s THR 95 Cb -0.15 -2.26 0.15 0.00 0.01 0.00 0.00 72.50 70.25 1ugk s THR 95 CO 0.08 0.47 1.17 -0.63 -0.69 0.00 0.00 174.62 175.02 1ugk s ILE 96 N 1.34 4.85 0.00 1.82 1.09 -0.72 -1.58 121.20 128.00 1ugk s ILE 96 Ca 0.04 -1.86 0.00 0.00 -1.10 0.00 0.00 60.65 57.73 1ugk s ILE 96 Cb -0.14 -4.79 0.00 0.00 -1.06 0.00 0.00 42.46 36.47 1ugk s ILE 96 CO -0.06 -1.50 0.00 0.18 -0.10 0.00 0.00 174.94 173.45 1ugk n LEU 97 N 6.18 0.00 -3.32 2.97 4.32 -1.06 0.43 117.00 126.52 1ugk n LEU 97 Ca 0.26 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.16 1ugk n LEU 97 Cb 0.48 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1ugk n LEU 97 CO 0.52 -0.19 -0.06 -0.55 -1.22 0.00 0.00 177.39 175.89 1ugk s SER 98 N -1.00 0.34 -0.52 -1.43 0.15 -1.02 -3.51 113.70 106.71 1ugk s SER 98 Ca 0.00 -0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.24 1ugk s SER 98 Cb 0.00 1.11 0.04 0.00 -1.71 0.00 0.00 66.02 65.46 1ugk s SER 98 CO 0.00 -0.34 0.89 0.12 1.20 0.00 0.00 173.24 175.11 1ugk s PHE 99 N 2.55 2.86 -0.51 3.44 5.36 -0.97 -2.84 117.98 127.86 1ugk s PHE 99 Ca 0.11 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 1ugk s PHE 99 Cb -0.13 -3.95 0.14 0.00 -0.34 0.00 0.00 43.02 38.73 1ugk s PHE 99 CO -0.25 -1.24 2.55 -0.25 -1.46 0.00 0.00 175.22 174.57 1ugk n ASP 100 N 7.20 6.69 -3.63 6.13 9.92 -1.23 -4.22 116.55 137.40 1ugk n ASP 100 Ca 0.02 -3.31 -0.28 0.00 -0.53 0.00 0.00 54.79 50.69 1ugk n ASP 100 Cb 0.48 -1.18 -0.06 0.00 -0.64 0.00 0.00 41.12 39.72 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 0.53 -0.83 -0.91 -1.24 1.85 -1.26 -4.61 116.66 110.18 1ugk n ARG 101 Ca 0.48 0.09 -0.02 0.00 -1.00 0.00 0.00 57.85 57.40 1ugk n ARG 101 Cb 0.51 -3.08 -0.03 0.00 -1.05 0.00 0.00 32.46 28.81 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 -3.07 0.00 0.00 2.89 3.72 -1.26 -5.02 117.46 114.72 1ugk n PHE 102 Ca 0.02 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1ugk n PHE 102 Cb 0.35 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1ugk n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ugk n SER 103 N 0.10 0.00 -3.90 4.37 7.64 -1.26 -4.90 113.62 115.68 1ugk n SER 103 Ca -0.11 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.25 1ugk n SER 103 Cb 0.74 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1ugk n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ugk n ARG 104 N 0.00 0.00 -5.16 1.43 5.12 -1.26 -4.82 116.66 111.97 1ugk n ARG 104 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 1ugk n ARG 104 Cb 0.00 -1.27 -0.17 0.00 -1.16 0.00 0.00 32.46 29.86 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ugk s ASP 105 N 0.89 2.95 -0.42 0.55 1.11 -1.26 -3.50 116.67 116.99 1ugk s ASP 105 Ca 0.81 -0.52 -0.04 0.00 0.18 0.00 0.00 52.55 52.98 1ugk s ASP 105 Cb -1.15 -1.26 0.11 0.00 1.07 0.00 0.00 42.92 41.69 1ugk s ASP 105 CO 0.56 0.16 0.22 -1.81 1.18 0.00 0.00 175.17 175.48 1ugk s ASP 106 N 0.29 5.34 -0.31 0.27 1.01 -1.13 -4.84 116.67 117.29 1ugk s ASP 106 Ca -0.16 -1.95 -0.28 0.00 0.71 0.00 0.00 52.55 50.87 1ugk s ASP 106 Cb -0.17 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 1ugk s ASP 106 CO 0.08 -0.56 2.04 -0.63 0.21 0.00 0.00 175.17 176.31 1ugk s ILE 107 N 1.20 3.22 -0.05 0.77 1.01 -1.26 -2.45 121.20 123.64 1ugk s ILE 107 Ca 0.07 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 1ugk s ILE 107 Cb -0.23 -3.33 -0.24 0.00 0.01 0.00 0.00 42.46 38.66 1ugk s ILE 107 CO -0.03 -0.23 1.01 0.40 0.00 0.00 0.00 174.94 176.09 1ugk h ILE 108 N 7.04 1.54 -3.06 2.92 2.04 -0.29 -3.48 117.51 124.22 1ugk h ILE 108 Ca -0.36 -2.05 0.04 0.00 1.00 0.00 0.00 64.86 63.50 1ugk h ILE 108 Cb 1.21 2.83 -0.07 0.00 -0.74 0.00 0.00 36.82 40.05 1ugk h ILE 108 CO 1.02 0.57 0.19 -0.83 0.00 0.00 0.00 178.15 179.10 1ugk s GLY 109 N -4.01 -0.14 -0.08 5.37 0.00 -1.14 -4.50 107.32 102.82 1ugk s GLY 109 Ca -0.15 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1ugk s GLY 109 CO 0.76 -0.09 -0.21 -0.54 0.00 0.00 0.00 173.10 173.02 1ugk s GLU 110 N -3.89 2.51 -0.02 2.90 2.02 -1.00 -1.76 118.70 119.45 1ugk s GLU 110 Ca 0.10 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1ugk s GLU 110 Cb -0.05 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 1ugk s GLU 110 CO 0.03 0.21 -0.19 0.08 0.02 0.00 0.00 175.26 175.41 1ugk s VAL 111 N 0.24 1.51 0.01 2.63 1.01 0.22 -4.45 120.40 121.56 1ugk s VAL 111 Ca -0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ugk s VAL 111 Cb -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ugk s VAL 111 CO 0.06 0.43 -0.07 -0.22 0.00 0.00 0.00 175.10 175.29 1ugk s LEU 112 N -0.30 2.08 -0.31 3.92 2.96 -1.26 0.50 118.68 126.27 1ugk s LEU 112 Ca 0.04 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ugk s LEU 112 Cb -0.09 -0.31 0.12 0.00 0.50 0.00 0.00 46.19 46.41 1ugk s LEU 112 CO 0.00 0.01 0.17 -0.51 -1.32 0.00 0.00 176.35 174.70 1ugk s ILE 113 N -0.48 -0.05 -0.16 6.68 1.10 0.28 -4.98 121.20 123.59 1ugk s ILE 113 Ca -0.00 -1.01 -0.29 0.00 -0.51 0.00 0.00 60.65 58.84 1ugk s ILE 113 Cb -0.05 -1.01 -0.02 0.00 0.15 0.00 0.00 42.46 41.54 1ugk s ILE 113 CO 0.00 -0.78 1.27 -2.16 -2.11 0.00 0.00 174.94 171.16 1ugk s PRO 114 N 1.82 4.23 0.00 3.50 0.04 -1.26 -1.47 135.00 141.86 1ugk s PRO 114 Ca 0.12 1.68 0.22 0.00 0.04 0.00 0.00 61.00 63.06 1ugk s PRO 114 Cb -0.18 -3.76 1.32 0.00 0.04 0.00 0.00 34.50 31.92 1ugk s PRO 114 CO -0.25 -0.70 1.78 1.28 0.04 0.00 0.00 177.00 179.15 1ugk n LEU 115 N 6.58 0.00 -4.56 -3.56 4.77 -1.12 -4.62 117.00 114.49 1ugk n LEU 115 Ca 0.14 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1ugk n LEU 115 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1ugk n LEU 115 CO 0.56 0.00 1.37 -0.55 -1.33 0.00 0.00 177.39 177.44 1ugk s SER 116 N -1.80 4.95 0.00 -1.43 0.15 -1.23 -1.55 113.70 112.79 1ugk s SER 116 Ca 0.33 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1ugk s SER 116 Cb 0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ugk s SER 116 CO 0.26 -2.88 0.00 0.61 1.20 0.00 0.00 173.24 172.42 1ugk n GLY 117 N 6.71 0.75 3.76 9.45 0.00 -1.26 -5.04 105.19 119.56 1ugk n GLY 117 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1ugk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 118 N -0.96 2.63 -0.01 -0.61 -1.09 -0.59 -5.03 121.20 115.53 1ugk s ILE 118 Ca 0.00 0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.88 1ugk s ILE 118 Cb 0.00 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1ugk s ILE 118 CO 0.00 -0.07 -0.18 -1.83 -1.23 0.00 0.00 174.94 171.63 1ugk s GLU 119 N -3.20 1.46 -0.04 2.79 4.04 -1.26 -4.81 118.70 117.68 1ugk s GLU 119 Ca 0.75 -0.66 0.06 0.00 0.04 0.00 0.00 54.97 55.16 1ugk s GLU 119 Cb -0.31 -1.42 0.09 0.00 0.02 0.00 0.00 34.13 32.51 1ugk s GLU 119 CO 0.35 0.39 0.96 1.28 -1.84 0.00 0.00 175.26 176.40 1ugk n LEU 120 N 2.61 1.44 0.37 1.83 4.77 -1.26 -4.82 117.00 121.93 1ugk n LEU 120 Ca -0.15 -1.83 -0.15 0.00 -0.03 0.00 0.00 56.01 53.85 1ugk n LEU 120 Cb 0.54 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1ugk n LEU 120 CO 0.24 0.44 0.53 -1.28 -1.33 0.00 0.00 177.39 175.98 1ugk h SER 121 N 0.00 -0.89 -0.89 -1.43 0.87 -1.98 -2.82 113.55 106.41 1ugk h SER 121 Ca 0.00 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 60.83 1ugk h SER 121 Cb 0.89 0.24 -0.16 0.00 -0.44 0.00 0.00 62.40 62.93 1ugk h SER 121 CO 0.00 -0.60 0.06 -0.33 -0.53 0.00 0.00 176.83 175.43 1ugk h GLU 122 N -0.97 0.08 0.00 2.24 4.39 -2.03 -3.47 114.58 114.82 1ugk h GLU 122 Ca -0.09 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ugk h GLU 122 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1ugk h GLU 122 CO 0.13 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1ugk n GLY 123 N -1.45 -0.61 3.89 -3.84 0.00 -1.07 -5.13 105.19 96.98 1ugk n GLY 123 Ca 0.20 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.41 3.61 0.15 1.61 2.20 -1.26 -4.53 119.74 120.10 1ugk s LYS 124 Ca 0.00 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1ugk s LYS 124 Cb 0.00 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1ugk s LYS 124 CO 0.00 0.60 -0.07 0.00 -0.36 0.00 0.00 175.35 175.51 1ugk s MET 125 N -2.01 1.04 -0.09 4.03 0.23 -1.14 -5.02 119.30 116.35 1ugk s MET 125 Ca 0.32 -1.45 -0.03 0.00 -1.03 0.00 0.00 55.69 53.49 1ugk s MET 125 Cb -0.13 -0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 32.64 1ugk s MET 125 CO 0.19 0.02 0.03 -1.17 -2.03 0.00 0.00 175.02 172.06 1ugk s LEU 126 N -3.15 3.77 0.01 0.18 1.98 -1.26 -2.66 118.68 117.54 1ugk s LEU 126 Ca 0.17 0.21 -0.04 0.00 -2.89 0.00 0.00 54.13 51.58 1ugk s LEU 126 Cb 0.04 -1.89 -0.01 0.00 0.66 0.00 0.00 46.19 44.99 1ugk s LEU 126 CO 0.00 0.38 0.07 -0.04 -1.89 0.00 0.00 176.35 174.87 1ugk s MET 127 N -0.96 0.42 0.14 1.98 -1.94 0.15 -4.98 119.30 114.12 1ugk s MET 127 Ca 0.14 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 1ugk s MET 127 Cb -0.11 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.85 1ugk s MET 127 CO 0.03 -0.09 -0.02 0.54 -0.01 0.00 0.00 175.02 175.47 1ugk s ASN 128 N -1.47 1.15 -0.10 3.03 2.20 -1.26 -1.36 114.94 117.13 1ugk s ASN 128 Ca -0.15 -1.11 -0.21 0.00 -0.94 0.00 0.00 52.86 50.45 1ugk s ASN 128 Cb -0.08 0.12 0.05 0.00 -2.00 0.00 0.00 41.25 39.33 1ugk s ASN 128 CO 0.00 -0.54 0.50 -0.13 -2.94 0.00 0.00 177.10 173.99 1ugk s ARG 129 N -3.89 0.76 0.36 3.55 1.81 -0.84 -4.98 118.95 115.72 1ugk s ARG 129 Ca 0.20 0.30 -0.24 0.00 -1.72 0.00 0.00 55.73 54.26 1ugk s ARG 129 Cb 0.06 0.35 -0.10 0.00 -0.45 0.00 0.00 34.95 34.81 1ugk s ARG 129 CO 0.01 -0.18 0.95 -1.83 -0.68 0.00 0.00 175.30 173.57 1ugk s GLU 130 N -0.65 4.44 -0.21 3.54 -1.05 -1.26 -1.37 118.70 122.13 1ugk s GLU 130 Ca -0.07 1.28 -0.06 0.00 -0.15 0.00 0.00 54.97 55.96 1ugk s GLU 130 Cb -0.03 -2.58 -0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1ugk s GLU 130 CO 0.04 0.15 0.04 0.42 0.95 0.00 0.00 175.26 176.86 1ugk s ILE 131 N -1.80 4.35 0.07 1.83 1.01 0.14 -4.83 121.20 121.97 1ugk s ILE 131 Ca 0.55 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.04 1ugk s ILE 131 Cb -0.16 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1ugk s ILE 131 CO 0.21 0.41 0.06 2.30 0.00 0.00 0.00 174.94 177.91 1ugk n ILE 132 N 4.21 0.00 -2.93 2.92 -6.64 -1.26 -3.23 119.36 112.43 1ugk n ILE 132 Ca -0.17 -0.50 -0.44 0.00 -1.77 0.00 0.00 62.75 59.88 1ugk n ILE 132 Cb 0.52 0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.97 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 -2.71 5.44 -0.52 7.28 2.88 -1.26 -2.38 113.62 122.35 1ugk n SER 133 Ca 0.02 -3.08 0.02 0.00 -1.33 0.00 0.00 58.87 54.49 1ugk n SER 133 Cb 0.12 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.11 1ugk n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 134 N 3.07 -3.12 3.80 0.46 0.00 -1.26 -4.93 105.19 103.21 1ugk n GLY 134 Ca 0.33 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.16 3.63 -0.11 1.61 0.04 -1.26 -4.96 135.00 129.80 1ugk s PRO 135 Ca 0.00 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1ugk s PRO 135 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1ugk s PRO 135 CO 0.00 -0.56 -0.26 0.43 0.04 0.00 0.00 177.00 176.65 1ugk n SER 136 N -1.40 1.72 -4.84 6.66 7.64 -1.26 -5.06 113.62 117.09 1ugk n SER 136 Ca 0.09 0.28 -0.22 0.00 1.01 0.00 0.00 58.87 60.03 1ugk n SER 136 Cb 0.53 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1ugk n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ugk s SER 137 N -5.96 4.91 0.00 6.43 0.01 -1.26 -5.31 113.70 112.52 1ugk s SER 137 Ca -0.22 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1ugk s SER 137 Cb 0.03 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1ugk s SER 137 CO 0.32 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.97