#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 5.90 -0.29 1.61 0.01 -1.26 -5.09 113.70 114.57 1ugk s SER 2 Ca 0.00 0.94 -0.13 0.00 1.31 0.00 0.00 55.95 58.07 1ugk s SER 2 Cb 0.00 -2.03 0.11 0.00 0.21 0.00 0.00 66.02 64.32 1ugk s SER 2 CO 0.00 -0.90 0.70 -0.55 0.41 0.00 0.00 173.24 172.90 1ugk s SER 3 N -4.23 -1.01 0.00 2.44 0.15 -1.26 -5.15 113.70 104.64 1ugk s SER 3 Ca 0.52 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1ugk s SER 3 Cb -0.11 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1ugk s SER 3 CO 0.47 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1ugk n GLY 4 N 4.89 2.02 3.59 9.45 0.00 -1.26 -5.00 105.19 118.88 1ugk n GLY 4 Ca -0.15 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1ugk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugk s SER 5 N 0.00 -0.19 0.45 1.61 0.15 -1.26 -5.10 113.70 109.36 1ugk s SER 5 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1ugk s SER 5 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ugk s SER 5 CO 0.00 -0.25 0.00 -1.20 1.20 0.00 0.00 173.24 172.99 1ugk n SER 6 N 0.24 -7.54 -4.58 5.45 7.64 -1.26 -4.74 113.62 108.83 1ugk n SER 6 Ca -0.03 1.07 -0.61 0.00 1.01 0.00 0.00 58.87 60.31 1ugk n SER 6 Cb 0.59 -3.98 -0.08 0.00 -1.01 0.00 0.00 64.21 59.72 1ugk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugk n GLY 7 N -0.89 -0.06 0.00 0.23 0.00 -1.26 -4.92 105.19 98.29 1ugk n GLY 7 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 2.33 0.00 0.00 0.99 4.77 -1.23 -4.96 117.00 118.90 1ugk n LEU 8 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ugk n LEU 8 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ugk n LEU 8 CO 0.69 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ugk n GLY 9 N 2.39 2.28 3.57 -0.72 0.00 -0.44 -4.26 105.19 108.01 1ugk n GLY 9 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.92 1.88 -0.08 2.61 2.01 0.27 0.23 115.64 119.64 1ugk s THR 10 Ca 0.00 -2.03 -0.02 0.00 0.31 0.00 0.00 61.69 59.95 1ugk s THR 10 Cb 0.00 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1ugk s THR 10 CO 0.00 -0.04 0.02 -0.22 -0.69 0.00 0.00 174.62 173.69 1ugk s LEU 11 N -3.65 0.54 -0.10 4.42 1.98 0.30 -2.78 118.68 119.40 1ugk s LEU 11 Ca 0.35 -0.14 -0.03 0.00 -2.89 0.00 0.00 54.13 51.41 1ugk s LEU 11 Cb 0.08 -0.39 -0.04 0.00 0.66 0.00 0.00 46.19 46.51 1ugk s LEU 11 CO 0.17 -0.22 0.04 -0.36 -1.89 0.00 0.00 176.35 174.09 1ugk s PHE 12 N 2.01 3.28 0.12 5.38 0.08 -0.65 -1.32 117.98 126.89 1ugk s PHE 12 Ca 0.04 0.28 -0.25 0.00 0.12 0.00 0.00 56.93 57.13 1ugk s PHE 12 Cb -0.13 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.56 1ugk s PHE 12 CO -0.05 0.54 0.79 -0.59 -0.10 0.00 0.00 175.22 175.81 1ugk s PHE 13 N -0.89 -0.33 -0.08 0.36 -0.71 -0.38 -1.20 117.98 114.75 1ugk s PHE 13 Ca 0.13 0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.09 1ugk s PHE 13 Cb -0.12 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1ugk s PHE 13 CO 0.03 -0.81 0.02 -1.54 -1.34 0.00 0.00 175.22 171.58 1ugk s SER 14 N -2.73 1.64 0.45 1.98 1.04 -0.66 -0.13 113.70 115.30 1ugk s SER 14 Ca 0.06 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.15 1ugk s SER 14 Cb -0.02 -0.39 -0.10 0.00 0.10 0.00 0.00 66.02 65.61 1ugk s SER 14 CO -0.05 -0.22 0.98 -0.76 0.98 0.00 0.00 173.24 174.16 1ugk s LEU 15 N 2.01 3.89 -0.28 2.42 2.01 -0.73 -2.49 118.68 125.52 1ugk s LEU 15 Ca 0.04 1.75 -0.18 0.00 0.01 0.00 0.00 54.13 55.75 1ugk s LEU 15 Cb -0.13 -4.54 0.09 0.00 0.01 0.00 0.00 46.19 41.62 1ugk s LEU 15 CO -0.05 -0.49 0.76 -0.70 1.01 0.00 0.00 176.35 176.88 1ugk s GLU 16 N -3.25 0.67 -0.13 1.70 2.12 -0.30 -1.96 118.70 117.56 1ugk s GLU 16 Ca 0.63 1.06 -0.01 0.00 0.36 0.00 0.00 54.97 57.02 1ugk s GLU 16 Cb -0.11 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1ugk s GLU 16 CO 0.16 -0.13 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.19 1ugk s TYR 17 N 1.31 2.89 -0.87 5.30 5.04 -1.26 0.22 117.35 129.99 1ugk s TYR 17 Ca -0.07 -0.42 -0.25 0.00 -2.44 0.00 0.00 57.07 53.89 1ugk s TYR 17 Cb -0.05 -1.86 0.04 0.00 0.35 0.00 0.00 41.96 40.44 1ugk s TYR 17 CO -0.15 -0.07 1.37 1.21 -1.34 0.00 0.00 175.55 176.58 1ugk s ASN 18 N 0.16 6.30 0.14 4.32 2.47 0.48 -4.83 114.94 123.97 1ugk s ASN 18 Ca -0.05 -0.90 -0.14 0.00 0.42 0.00 0.00 52.86 52.19 1ugk s ASN 18 Cb -0.14 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.11 1ugk s ASN 18 CO 0.04 -1.70 1.66 -0.26 -3.72 0.00 0.00 177.10 173.12 1ugk h PHE 19 N 9.99 0.75 -0.31 0.43 -1.00 -1.93 2.33 116.94 127.19 1ugk h PHE 19 Ca -0.06 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.71 1ugk h PHE 19 Cb 1.03 -0.22 -0.08 0.00 3.61 0.00 0.00 35.95 40.29 1ugk h PHE 19 CO 1.20 0.68 -0.39 1.49 -1.61 0.00 0.00 178.31 179.67 1ugk h GLU 20 N 0.61 -0.34 -0.47 1.51 4.57 -1.96 -0.85 114.58 117.64 1ugk h GLU 20 Ca 0.15 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1ugk h GLU 20 Cb 0.28 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1ugk h GLU 20 CO -0.00 -0.23 0.00 0.54 -1.18 0.00 0.00 179.01 178.14 1ugk n ARG 21 N -5.42 4.22 -3.60 1.92 1.74 -1.17 -4.97 116.66 109.37 1ugk n ARG 21 Ca -0.01 -3.06 -0.22 0.00 -0.77 0.00 0.00 57.85 53.78 1ugk n ARG 21 Cb 0.35 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 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 0.21 -1.14 -4.41 5.56 5.02 0.67 -4.79 118.16 119.29 1ugk n LYS 22 Ca 0.26 0.52 -0.20 0.00 -2.02 0.00 0.00 58.31 56.87 1ugk n LYS 22 Cb 1.10 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.91 2.16 -0.17 7.82 0.00 0.49 -4.09 121.76 125.05 1ugk s ALA 23 Ca 0.05 -1.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.00 1ugk s ALA 23 Cb -0.03 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1ugk s ALA 23 CO 0.73 -0.33 -0.09 0.12 0.00 0.00 0.00 175.76 176.18 1ugk s PHE 24 N -3.41 2.88 -0.09 0.00 5.36 0.03 0.18 117.98 122.94 1ugk s PHE 24 Ca 0.36 -0.83 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1ugk s PHE 24 Cb 0.08 -1.97 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1ugk s PHE 24 CO 0.14 -0.39 -0.14 0.08 -1.46 0.00 0.00 175.22 173.45 1ugk s VAL 25 N 0.90 2.98 -0.40 3.12 1.01 0.61 0.06 120.40 128.68 1ugk s VAL 25 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1ugk s VAL 25 Cb -0.15 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.14 1ugk s VAL 25 CO 0.00 0.56 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 1ugk s VAL 26 N -0.12 1.65 -0.21 2.92 1.01 -0.74 -1.14 120.40 123.76 1ugk s VAL 26 Ca -0.02 -2.37 -0.27 0.00 0.00 0.00 0.00 61.98 59.33 1ugk s VAL 26 Cb -0.14 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1ugk s VAL 26 CO 0.04 -0.77 0.92 0.21 0.00 0.00 0.00 175.10 175.49 1ugk s ASN 27 N 0.65 6.99 -0.51 3.32 3.84 -1.04 -2.19 114.94 126.00 1ugk s ASN 27 Ca 0.14 1.23 -0.15 0.00 0.21 0.00 0.00 52.86 54.29 1ugk s ASN 27 Cb -0.22 -2.49 0.11 0.00 -0.55 0.00 0.00 41.25 38.10 1ugk s ASN 27 CO -0.07 -0.53 0.45 -0.63 -2.79 0.00 0.00 177.10 173.52 1ugk s ILE 28 N 2.71 5.11 0.00 -5.21 1.01 0.62 -1.65 121.20 123.79 1ugk s ILE 28 Ca 0.40 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1ugk s ILE 28 Cb -0.16 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1ugk s ILE 28 CO 0.09 -0.76 0.00 1.17 0.00 0.00 0.00 174.94 175.44 1ugk n LYS 29 N 5.20 1.73 -4.10 2.79 3.00 -0.34 0.52 118.16 126.96 1ugk n LYS 29 Ca -0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.93 1ugk n LYS 29 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.38 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ugk s GLU 30 N 0.00 2.25 -0.08 1.64 -1.05 -1.23 -1.52 118.70 118.72 1ugk s GLU 30 Ca 0.00 -1.89 0.02 0.00 -0.15 0.00 0.00 54.97 52.95 1ugk s GLU 30 Cb 0.00 -1.99 0.02 0.00 -0.44 0.00 0.00 34.13 31.72 1ugk s GLU 30 CO 0.00 -0.20 -0.11 0.00 0.95 0.00 0.00 175.26 175.90 1ugk s ALA 31 N -2.63 1.24 -0.07 -0.84 0.00 -0.65 -1.64 121.76 117.17 1ugk s ALA 31 Ca 0.38 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1ugk s ALA 31 Cb 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1ugk s ALA 31 CO 0.21 -0.03 -0.16 1.03 0.00 0.00 0.00 175.76 176.82 1ugk s ARG 32 N 0.94 2.78 0.00 0.00 0.52 -1.12 -3.43 118.95 118.64 1ugk s ARG 32 Ca -0.09 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1ugk s ARG 32 Cb -0.15 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1ugk s ARG 32 CO 0.00 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1ugk n GLY 33 N 2.77 0.55 3.44 -3.53 0.00 -1.26 0.94 105.19 108.11 1ugk n GLY 33 Ca -0.17 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 4.47 0.07 0.99 1.43 -1.12 -1.33 118.68 123.19 1ugk s LEU 34 Ca 0.00 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 1ugk s LEU 34 Cb 0.00 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1ugk s LEU 34 CO 0.00 -0.28 1.16 -2.16 0.23 0.00 0.00 176.35 175.29 1ugk s PRO 35 N 1.63 4.47 0.88 1.29 0.04 -1.26 -4.75 135.00 137.29 1ugk s PRO 35 Ca 0.04 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1ugk s PRO 35 Cb -0.18 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1ugk s PRO 35 CO 0.08 -0.18 0.50 0.00 0.04 0.00 0.00 177.00 177.44 1ugk n ALA 36 N 3.65 -2.10 -0.03 8.56 0.00 -1.26 -4.95 120.51 124.39 1ugk n ALA 36 Ca 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1ugk n ALA 36 Cb 0.47 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.56 2.50 -2.63 0.00 2.81 -1.26 -5.04 117.12 111.94 1ugk n MET 37 Ca 0.08 0.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.74 1ugk n MET 37 Cb 0.52 -1.13 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 -0.51 1.51 0.00 0.00 175.97 176.97 1ugk s ASP 38 N -3.86 5.44 -0.01 7.83 1.01 -1.26 -5.02 116.67 120.80 1ugk s ASP 38 Ca -0.04 0.29 0.08 0.00 0.71 0.00 0.00 52.55 53.59 1ugk s ASP 38 Cb 0.02 -1.27 -0.11 0.00 1.01 0.00 0.00 42.92 42.56 1ugk s ASP 38 CO 0.20 -1.06 0.19 -1.84 0.21 0.00 0.00 175.17 172.88 1ugk n GLU 39 N -2.39 0.91 -0.04 8.23 0.28 -1.26 -4.55 120.64 121.81 1ugk n GLU 39 Ca 0.05 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.89 1ugk n GLU 39 Cb 0.59 -1.13 0.04 0.00 1.43 0.00 0.00 31.44 32.37 1ugk n GLU 39 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1ugk h GLN 40 N 0.00 0.70 -4.26 3.44 4.20 -1.97 -3.45 115.11 113.78 1ugk h GLN 40 Ca 0.00 -0.39 -0.25 0.00 0.06 0.00 0.00 58.65 58.07 1ugk h GLN 40 Cb 0.33 0.02 -0.24 0.00 0.30 0.00 0.00 27.48 27.89 1ugk h GLN 40 CO 0.00 1.00 -0.73 0.45 -0.67 0.00 0.00 178.83 178.88 1ugk s SER 41 N -6.87 0.54 -0.13 1.46 0.15 -1.26 -5.04 113.70 102.55 1ugk s SER 41 Ca -0.09 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 1ugk s SER 41 Cb 0.12 0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.36 1ugk s SER 41 CO 0.85 -0.14 2.92 0.80 1.20 0.00 0.00 173.24 178.86 1ugk n MET 42 N 2.03 1.84 -4.09 5.44 1.56 -1.26 -4.50 117.12 118.13 1ugk n MET 42 Ca -0.20 -1.11 -0.12 0.00 -0.27 0.00 0.00 57.70 56.01 1ugk n MET 42 Cb 0.56 -1.76 -0.07 0.00 2.15 0.00 0.00 33.22 34.10 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 -0.24 0.00 0.23 1.12 -1.32 -1.26 -4.87 115.64 109.29 1ugk s THR 43 Ca 0.46 -1.67 -0.21 0.00 -1.21 0.00 0.00 61.69 59.06 1ugk s THR 43 Cb 0.25 -2.40 0.06 0.00 -1.51 0.00 0.00 72.50 68.91 1ugk s THR 43 CO -0.05 0.00 0.93 -0.94 -2.21 0.00 0.00 174.62 172.35 1ugk s SER 44 N -3.12 -0.08 -0.58 8.08 1.04 -1.25 -4.35 113.70 113.45 1ugk s SER 44 Ca 0.30 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 56.11 1ugk s SER 44 Cb 0.02 0.60 0.25 0.00 0.10 0.00 0.00 66.02 66.99 1ugk s SER 44 CO 0.13 -1.15 0.69 0.47 0.98 0.00 0.00 173.24 174.36 1ugk n ASP 45 N -0.96 2.86 -4.79 7.02 8.00 -1.26 -1.06 116.55 126.37 1ugk n ASP 45 Ca -0.05 -3.26 -0.29 0.00 0.71 0.00 0.00 54.79 51.90 1ugk n ASP 45 Cb 0.60 -0.66 0.13 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.16 1.22 -0.28 -0.24 0.04 -1.26 -2.45 135.00 129.88 1ugk s PRO 46 Ca 0.39 0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.51 1ugk s PRO 46 Cb 0.15 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.94 1ugk s PRO 46 CO -0.04 -2.15 0.86 1.52 0.04 0.00 0.00 177.00 177.23 1ugk s TYR 47 N -3.27 -0.68 0.05 0.56 1.13 -1.20 -3.47 117.35 110.48 1ugk s TYR 47 Ca 0.64 1.60 -0.13 0.00 -1.41 0.00 0.00 57.07 57.76 1ugk s TYR 47 Cb -0.15 0.34 -0.06 0.00 -1.10 0.00 0.00 41.96 41.00 1ugk s TYR 47 CO 0.53 -0.33 0.43 0.42 -2.51 0.00 0.00 175.55 174.10 1ugk s ILE 48 N 0.49 5.01 -0.14 -3.49 1.01 -1.26 -2.62 121.20 120.21 1ugk s ILE 48 Ca -0.00 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1ugk s ILE 48 Cb -0.05 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1ugk s ILE 48 CO -0.05 0.43 -0.09 -0.54 0.00 0.00 0.00 174.94 174.69 1ugk s LYS 49 N -1.49 3.45 0.12 2.79 1.02 -0.76 -1.08 119.74 123.79 1ugk s LYS 49 Ca 0.29 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 1ugk s LYS 49 Cb -0.16 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1ugk s LYS 49 CO 0.16 0.25 0.34 1.41 -0.92 0.00 0.00 175.35 176.59 1ugk s MET 50 N 0.28 3.58 -0.23 1.68 1.75 0.26 -2.53 119.30 124.10 1ugk s MET 50 Ca -0.07 -0.16 -0.13 0.00 -1.25 0.00 0.00 55.69 54.08 1ugk s MET 50 Cb -0.15 -2.90 0.07 0.00 2.84 0.00 0.00 34.83 34.69 1ugk s MET 50 CO 0.04 0.50 0.56 0.99 -0.65 0.00 0.00 175.02 176.47 1ugk s THR 51 N -1.61 -0.01 -1.02 10.11 2.01 -1.23 -2.68 115.64 121.21 1ugk s THR 51 Ca 0.39 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 1ugk s THR 51 Cb -0.12 -0.82 0.15 0.00 0.01 0.00 0.00 72.50 71.72 1ugk s THR 51 CO 0.25 0.02 1.22 -0.63 -0.69 0.00 0.00 174.62 174.79 1ugk s ILE 52 N 1.49 4.87 0.49 1.82 1.01 -1.24 -2.06 121.20 127.58 1ugk s ILE 52 Ca -0.09 -1.97 -0.12 0.00 0.00 0.00 0.00 60.65 58.46 1ugk s ILE 52 Cb -0.06 -4.81 -0.06 0.00 0.01 0.00 0.00 42.46 37.53 1ugk s ILE 52 CO -0.16 -1.53 0.89 -0.76 0.00 0.00 0.00 174.94 173.39 1ugk s LEU 53 N 2.21 3.61 0.42 2.97 1.43 0.38 0.20 118.68 129.90 1ugk s LEU 53 Ca 0.36 1.30 0.23 0.00 -1.03 0.00 0.00 54.13 54.99 1ugk s LEU 53 Cb -0.04 -4.25 0.68 0.00 0.03 0.00 0.00 46.19 42.60 1ugk s LEU 53 CO -0.06 -0.58 1.72 1.55 0.23 0.00 0.00 176.35 179.21 1ugk h PRO 54 N 0.68 0.00 -0.04 1.29 0.13 -1.81 1.69 132.00 133.94 1ugk h PRO 54 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ugk h PRO 54 CO 0.62 0.20 -0.02 0.39 -0.23 0.00 0.00 178.00 178.96 1ugk n GLU 55 N -3.24 -0.02 -0.98 0.86 1.02 -0.90 -4.71 120.64 112.67 1ugk n GLU 55 Ca 0.01 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ugk n GLU 55 Cb 0.50 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 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 -2.57 -0.16 0.00 3.49 4.81 0.53 -4.95 118.16 119.30 1ugk n LYS 56 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1ugk n LYS 56 Cb 0.01 -3.08 0.00 0.00 0.02 0.00 0.00 35.03 31.97 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 -2.38 0.00 -1.52 1.64 4.76 -1.26 -4.52 118.16 114.88 1ugk n LYS 57 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1ugk n LYS 57 Cb 0.04 -0.18 -0.15 0.00 -1.84 0.00 0.00 35.03 32.91 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 0.00 0.60 -3.83 2.13 8.25 -1.26 -4.85 115.22 116.26 1ugk n HIS 58 Ca 0.00 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 1ugk n HIS 58 Cb 0.00 -1.79 -0.12 0.00 1.12 0.00 0.00 29.99 29.20 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 8.16 3.75 0.07 -0.41 1.02 -1.26 -3.60 119.74 127.48 1ugk s LYS 59 Ca 1.21 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1ugk s LYS 59 Cb -0.75 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1ugk s LYS 59 CO 0.41 -0.07 -0.08 0.14 -0.92 0.00 0.00 175.35 174.83 1ugk s VAL 60 N 1.31 0.70 0.14 3.17 -7.23 -1.09 -5.04 120.40 112.36 1ugk s VAL 60 Ca 0.05 -1.51 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1ugk s VAL 60 Cb -0.15 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1ugk s VAL 60 CO 0.04 -0.59 -0.12 -1.59 -0.31 0.00 0.00 175.10 172.53 1ugk s LYS 61 N -2.64 1.05 -0.15 4.82 -2.85 -1.26 0.92 119.74 119.62 1ugk s LYS 61 Ca 0.01 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.50 1ugk s LYS 61 Cb -0.03 -0.75 -0.05 0.00 -2.06 0.00 0.00 37.83 34.94 1ugk s LYS 61 CO -0.01 0.12 0.25 0.95 0.10 0.00 0.00 175.35 176.76 1ugk s THR 62 N -2.81 5.33 -0.07 3.79 -4.23 -0.24 -4.93 115.64 112.47 1ugk s THR 62 Ca 0.13 0.47 -0.39 0.00 -1.18 0.00 0.00 61.69 60.72 1ugk s THR 62 Cb -0.01 -3.58 -0.18 0.00 1.34 0.00 0.00 72.50 70.07 1ugk s THR 62 CO 0.02 0.44 1.40 -2.11 -0.54 0.00 0.00 174.62 173.82 1ugk n ARG 63 N 3.26 0.78 -2.48 3.99 1.85 -1.26 -4.37 116.66 118.43 1ugk n ARG 63 Ca -0.14 0.28 -0.42 0.00 -1.00 0.00 0.00 57.85 56.57 1ugk n ARG 63 Cb 0.52 -1.89 -0.03 0.00 -1.05 0.00 0.00 32.46 30.02 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ugk s VAL 64 N 1.31 4.27 1.01 8.89 -7.23 -1.26 -4.82 120.40 122.55 1ugk s VAL 64 Ca 0.91 1.61 -0.13 0.00 -1.81 0.00 0.00 61.98 62.56 1ugk s VAL 64 Cb -1.11 -4.03 0.19 0.00 0.56 0.00 0.00 36.38 31.99 1ugk s VAL 64 CO 0.57 0.06 1.11 -0.76 -0.31 0.00 0.00 175.10 175.76 1ugk s LEU 65 N 1.66 1.57 -0.19 1.32 2.01 -1.23 -4.98 118.68 118.84 1ugk s LEU 65 Ca 0.56 1.07 -0.03 0.00 0.01 0.00 0.00 54.13 55.74 1ugk s LEU 65 Cb -0.26 -3.22 -0.01 0.00 0.01 0.00 0.00 46.19 42.70 1ugk s LEU 65 CO 0.25 -3.14 -0.05 -0.13 1.01 0.00 0.00 176.35 174.29 1ugk s ARG 66 N -5.07 3.46 -0.01 1.70 1.81 -1.26 -4.38 118.95 115.19 1ugk s ARG 66 Ca 0.66 -0.61 -0.00 0.00 -1.72 0.00 0.00 55.73 54.06 1ugk s ARG 66 Cb -0.17 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.40 1ugk s ARG 66 CO 0.57 -0.01 0.00 1.63 -0.68 0.00 0.00 175.30 176.81 1ugk n LYS 67 N 4.25 -0.58 -3.63 3.54 5.02 -1.17 -4.99 118.16 120.60 1ugk n LYS 67 Ca -0.18 0.94 -0.05 0.00 -2.02 0.00 0.00 58.31 57.00 1ugk n LYS 67 Cb 0.52 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -0.86 0.00 -0.84 -0.18 -1.32 -0.22 -4.84 115.64 107.38 1ugk s THR 68 Ca -0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1ugk s THR 68 Cb 0.00 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.83 1ugk s THR 68 CO 0.04 0.00 0.71 0.18 -2.21 0.00 0.00 174.62 173.34 1ugk n LEU 69 N 0.90 0.85 -3.59 9.08 4.77 -1.26 -3.77 117.00 123.97 1ugk n LEU 69 Ca -0.05 -0.52 -0.27 0.00 -0.03 0.00 0.00 56.01 55.13 1ugk n LEU 69 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1ugk n LEU 69 CO 0.08 0.20 -0.21 1.51 -1.33 0.00 0.00 177.39 177.65 1ugk s ASP 70 N -2.48 2.75 0.41 -1.43 -4.77 -1.26 -2.80 116.67 107.08 1ugk s ASP 70 Ca 0.07 -3.39 -0.24 0.00 -3.30 0.00 0.00 52.55 45.70 1ugk s ASP 70 Cb 0.12 -0.91 -0.09 0.00 -1.09 0.00 0.00 42.92 40.96 1ugk s ASP 70 CO 0.65 -0.13 1.05 -2.16 0.70 0.00 0.00 175.17 175.27 1ugk s PRO 71 N -0.55 4.11 -0.39 2.11 0.04 -1.22 -4.89 135.00 134.21 1ugk s PRO 71 Ca 0.30 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1ugk s PRO 71 Cb 0.01 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 32.18 1ugk s PRO 71 CO -0.19 -0.18 0.18 0.00 0.04 0.00 0.00 177.00 176.85 1ugk s ALA 72 N -1.69 2.04 0.05 8.56 0.00 -1.26 -1.63 121.76 127.83 1ugk s ALA 72 Ca 0.59 -2.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.09 1ugk s ALA 72 Cb -0.22 -1.82 -0.32 0.00 0.00 0.00 0.00 23.12 20.77 1ugk s ALA 72 CO 0.27 -1.92 1.07 0.74 0.00 0.00 0.00 175.76 175.92 1ugk h PHE 73 N 7.21 0.94 -4.90 0.00 0.04 -1.73 -3.47 116.94 115.03 1ugk h PHE 73 Ca -0.05 -0.64 -0.04 0.00 2.80 0.00 0.00 57.97 60.04 1ugk h PHE 73 Cb 0.96 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 1ugk h PHE 73 CO 0.44 1.49 -0.06 -3.47 -0.60 0.00 0.00 178.31 176.11 1ugk n ASP 74 N -3.73 -0.99 -4.87 2.17 2.03 0.19 -4.84 116.55 106.50 1ugk n ASP 74 Ca -0.14 0.35 -0.35 0.00 0.52 0.00 0.00 54.79 55.16 1ugk n ASP 74 Cb 1.04 -0.98 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ugk s GLU 75 N -4.84 3.63 0.01 -0.67 2.56 -0.50 -4.74 118.70 114.15 1ugk s GLU 75 Ca 0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.97 55.10 1ugk s GLU 75 Cb -0.03 -3.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.98 1ugk s GLU 75 CO 0.07 0.66 -0.18 -0.08 -0.56 0.00 0.00 175.26 175.17 1ugk s THR 76 N -1.24 1.40 -0.13 -1.70 -1.32 -1.26 0.23 115.64 111.61 1ugk s THR 76 Ca 0.26 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.89 1ugk s THR 76 Cb -0.14 -1.19 0.01 0.00 -1.51 0.00 0.00 72.50 69.68 1ugk s THR 76 CO 0.14 0.30 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.31 1ugk s PHE 77 N -0.55 2.36 0.61 9.09 0.08 -0.93 -4.90 117.98 123.74 1ugk s PHE 77 Ca 0.06 -1.18 -0.05 0.00 0.12 0.00 0.00 56.93 55.88 1ugk s PHE 77 Cb -0.07 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1ugk s PHE 77 CO 0.00 -0.57 0.91 0.99 -0.10 0.00 0.00 175.22 176.45 1ugk s THR 78 N 0.96 3.26 -0.29 0.64 2.01 -1.26 -1.79 115.64 119.17 1ugk s THR 78 Ca -0.05 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1ugk s THR 78 Cb -0.15 -3.31 0.18 0.00 0.01 0.00 0.00 72.50 69.23 1ugk s THR 78 CO -0.03 -0.32 0.56 -0.36 -0.69 0.00 0.00 174.62 173.79 1ugk s PHE 79 N -3.03 -1.54 0.20 4.92 0.08 0.11 -4.92 117.98 113.80 1ugk s PHE 79 Ca 0.55 1.42 -0.19 0.00 0.12 0.00 0.00 56.93 58.84 1ugk s PHE 79 Cb -0.11 0.42 -0.08 0.00 -0.57 0.00 0.00 43.02 42.69 1ugk s PHE 79 CO 0.44 -0.91 0.69 0.71 -0.10 0.00 0.00 175.22 176.06 1ugk s TYR 80 N 2.80 3.65 0.00 0.36 2.02 -1.26 -0.78 117.35 124.13 1ugk s TYR 80 Ca 0.17 1.33 0.00 0.00 -0.37 0.00 0.00 57.07 58.20 1ugk s TYR 80 Cb -0.14 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1ugk s TYR 80 CO -0.22 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1ugk n GLY 81 N 0.78 3.53 3.66 0.71 0.00 -1.26 -5.00 105.19 107.61 1ugk n GLY 81 Ca -0.03 -1.03 -0.52 0.00 0.00 0.00 0.00 46.02 44.44 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 0.42 0.99 -0.61 -0.00 -1.26 -4.77 119.36 114.13 1ugk n ILE 82 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1ugk n ILE 82 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 39.64 38.02 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 6.49 0.75 0.00 0.38 -0.04 -1.26 -4.59 135.00 136.72 1ugk n PRO 83 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1ugk n PRO 83 Cb 0.23 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.07 0.00 0.20 0.54 9.36 -1.26 -4.26 117.16 121.67 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 0.13 0.00 0.65 0.00 -0.63 0.00 0.00 39.34 39.49 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 0.83 112.91 116.06 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 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1ugk h THR 85 CO 0.00 0.00 -0.58 1.67 -0.25 0.00 0.00 175.52 176.36 1ugk n GLN 86 N -2.37 0.02 -0.19 4.72 7.27 -1.26 -3.96 117.38 121.61 1ugk n GLN 86 Ca -0.02 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.17 1ugk n GLN 86 Cb 0.10 -1.51 0.42 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 0.90 0.00 1.69 1.08 0.35 0.95 117.51 122.48 1ugk h ILE 87 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ugk h ILE 87 Cb 0.51 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1ugk h ILE 87 CO 0.00 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 1ugk n GLN 88 N -4.50 0.54 -0.20 2.37 6.02 -1.25 -1.93 117.38 118.42 1ugk n GLN 88 Ca 0.13 0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.22 1ugk n GLN 88 Cb 0.39 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.12 2.71 -1.16 -1.09 -0.58 0.33 -3.51 120.64 116.22 1ugk n GLU 89 Ca 0.14 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 1ugk n GLU 89 Cb 0.12 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 -0.22 0.00 0.00 -4.62 4.77 -0.81 -4.18 117.00 111.93 1ugk n LEU 90 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ugk n LEU 90 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1ugk n LEU 90 CO 0.07 -0.21 0.00 0.00 -1.33 0.00 0.00 177.39 175.93 1ugk n ALA 91 N -3.00 0.00 -2.71 -1.18 0.00 0.57 -3.24 120.51 110.96 1ugk n ALA 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ugk n ALA 91 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 4.27 -0.36 0.00 1.43 -0.38 0.14 118.68 123.78 1ugk s LEU 92 Ca 0.00 0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1ugk s LEU 92 Cb 0.00 -2.90 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1ugk s LEU 92 CO 0.00 -0.10 0.13 -2.28 0.23 0.00 0.00 176.35 174.33 1ugk s HIS 93 N 0.94 3.37 -0.40 0.29 2.46 -0.88 -0.44 115.29 120.63 1ugk s HIS 93 Ca 0.31 -1.85 -0.18 0.00 0.47 0.00 0.00 55.06 53.81 1ugk s HIS 93 Cb -0.16 -2.63 0.01 0.00 -0.13 0.00 0.00 32.58 29.66 1ugk s HIS 93 CO 0.14 -0.84 0.50 -0.06 -2.47 0.00 0.00 174.74 172.01 1ugk s PHE 94 N 1.29 3.15 -0.23 3.88 0.08 0.11 -3.48 117.98 122.78 1ugk s PHE 94 Ca 0.01 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.86 1ugk s PHE 94 Cb -0.21 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 1ugk s PHE 94 CO -0.00 -0.68 0.10 0.99 -0.10 0.00 0.00 175.22 175.53 1ugk s THR 95 N 2.37 4.76 -1.00 0.64 2.01 -1.05 0.17 115.64 123.54 1ugk s THR 95 Ca 0.16 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 1ugk s THR 95 Cb -0.16 -3.21 0.18 0.00 0.01 0.00 0.00 72.50 69.32 1ugk s THR 95 CO 0.15 0.36 1.12 -0.63 -0.69 0.00 0.00 174.62 174.92 1ugk s ILE 96 N 1.20 5.18 0.00 1.82 1.09 0.11 -1.83 121.20 128.77 1ugk s ILE 96 Ca 0.05 -2.30 0.00 0.00 -1.10 0.00 0.00 60.65 57.30 1ugk s ILE 96 Cb -0.14 -4.72 0.00 0.00 -1.06 0.00 0.00 42.46 36.54 1ugk s ILE 96 CO 0.04 -1.38 0.00 0.18 -0.10 0.00 0.00 174.94 173.68 1ugk n LEU 97 N 5.20 0.00 -3.67 2.97 4.32 -1.08 0.16 117.00 124.90 1ugk n LEU 97 Ca 0.25 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.15 1ugk n LEU 97 Cb 0.46 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.16 1ugk n LEU 97 CO 0.49 -0.33 0.08 -0.55 -1.22 0.00 0.00 177.39 175.86 1ugk s SER 98 N -1.00 -0.48 0.08 -1.43 0.15 -1.14 -3.21 113.70 106.67 1ugk s SER 98 Ca 0.00 1.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.39 1ugk s SER 98 Cb 0.00 1.19 -0.06 0.00 -1.71 0.00 0.00 66.02 65.44 1ugk s SER 98 CO 0.00 -0.22 1.15 0.12 1.20 0.00 0.00 173.24 175.50 1ugk s PHE 99 N 2.06 3.49 0.13 3.44 2.19 -1.03 -3.63 117.98 124.64 1ugk s PHE 99 Ca -0.06 1.41 0.10 0.00 0.33 0.00 0.00 56.93 58.70 1ugk s PHE 99 Cb -0.10 -3.36 -0.04 0.00 -1.31 0.00 0.00 43.02 38.21 1ugk s PHE 99 CO -0.14 -1.00 -0.23 0.34 1.83 0.00 0.00 175.22 176.02 1ugk s ASP 100 N 0.81 2.97 -0.85 6.13 -1.08 -1.26 -4.60 116.67 118.79 1ugk s ASP 100 Ca 0.56 -0.76 -0.05 0.00 -0.52 0.00 0.00 52.55 51.78 1ugk s ASP 100 Cb -0.29 -0.19 -0.05 0.00 -1.46 0.00 0.00 42.92 40.94 1ugk s ASP 100 CO 0.30 0.10 2.07 -2.11 0.52 0.00 0.00 175.17 176.06 1ugk n ARG 101 N 0.81 1.98 0.00 4.34 1.85 -1.26 -3.81 116.66 120.56 1ugk n ARG 101 Ca -0.17 -1.39 0.00 0.00 -1.00 0.00 0.00 57.85 55.29 1ugk n ARG 101 Cb 0.54 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 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 4.17 0.00 0.00 2.89 3.72 -1.26 -5.06 117.46 121.92 1ugk n PHE 102 Ca 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 1ugk n PHE 102 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1ugk n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ugk n SER 103 N -0.55 0.00 -4.38 4.37 2.88 -1.25 -5.14 113.62 109.55 1ugk n SER 103 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1ugk n SER 103 Cb 0.00 0.02 0.04 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.97 0.29 -3.75 -1.46 5.12 -1.26 -4.86 116.66 109.76 1ugk n ARG 104 Ca 0.00 0.12 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 1ugk n ARG 104 Cb 0.00 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 29.62 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 -1.21 3.45 -0.71 0.55 1.01 -1.26 -4.06 116.67 114.44 1ugk s ASP 105 Ca 0.63 -1.18 -0.27 0.00 0.71 0.00 0.00 52.55 52.44 1ugk s ASP 105 Cb -0.41 -0.75 0.03 0.00 1.01 0.00 0.00 42.92 42.79 1ugk s ASP 105 CO 0.60 -0.34 1.29 -1.81 0.21 0.00 0.00 175.17 175.12 1ugk s ASP 106 N 1.72 6.18 -0.44 0.27 1.11 -1.24 -4.82 116.67 119.45 1ugk s ASP 106 Ca 0.03 -0.31 -0.27 0.00 0.18 0.00 0.00 52.55 52.17 1ugk s ASP 106 Cb -0.17 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.23 1ugk s ASP 106 CO -0.15 -1.79 1.92 -0.63 1.18 0.00 0.00 175.17 175.69 1ugk s ILE 107 N 5.72 3.35 0.18 0.77 1.01 -1.26 -2.87 121.20 128.11 1ugk s ILE 107 Ca 0.38 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 61.25 1ugk s ILE 107 Cb -0.08 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1ugk s ILE 107 CO 0.17 -0.51 1.62 0.40 0.00 0.00 0.00 174.94 176.61 1ugk h ILE 108 N 6.96 1.27 -1.70 2.92 2.04 0.13 -3.47 117.51 125.65 1ugk h ILE 108 Ca -0.30 -1.26 0.24 0.00 1.00 0.00 0.00 64.86 64.54 1ugk h ILE 108 Cb 1.18 0.98 -0.15 0.00 -0.74 0.00 0.00 36.82 38.09 1ugk h ILE 108 CO 1.11 0.44 0.73 -0.83 0.00 0.00 0.00 178.15 179.60 1ugk s GLY 109 N -3.69 -0.35 -0.08 5.37 0.00 -0.86 -4.75 107.32 102.97 1ugk s GLY 109 Ca -0.11 1.05 0.04 0.00 0.00 0.00 0.00 44.72 45.70 1ugk s GLY 109 CO 0.86 0.31 -0.22 -0.54 0.00 0.00 0.00 173.10 173.50 1ugk s GLU 110 N -2.64 2.64 0.11 2.90 2.02 -1.16 0.08 118.70 122.65 1ugk s GLU 110 Ca 0.11 -0.80 0.10 0.00 0.02 0.00 0.00 54.97 54.39 1ugk s GLU 110 Cb 0.01 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1ugk s GLU 110 CO -0.04 0.22 -0.24 0.08 0.02 0.00 0.00 175.26 175.29 1ugk s VAL 111 N 0.23 2.02 0.01 2.63 1.01 0.45 -4.43 120.40 122.31 1ugk s VAL 111 Ca -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.19 1ugk s VAL 111 Cb -0.16 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1ugk s VAL 111 CO 0.06 0.06 0.04 -0.22 0.00 0.00 0.00 175.10 175.04 1ugk s LEU 112 N -1.91 1.95 -0.31 3.92 2.96 -1.26 0.06 118.68 124.10 1ugk s LEU 112 Ca 0.11 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1ugk s LEU 112 Cb -0.10 0.32 0.15 0.00 0.50 0.00 0.00 46.19 47.06 1ugk s LEU 112 CO 0.05 -0.31 0.37 -0.51 -1.32 0.00 0.00 176.35 174.63 1ugk s ILE 113 N -1.32 -0.51 -0.14 6.68 1.10 0.42 -4.95 121.20 122.48 1ugk s ILE 113 Ca -0.14 -0.47 -0.29 0.00 -0.51 0.00 0.00 60.65 59.23 1ugk s ILE 113 Cb -0.08 -0.91 -0.02 0.00 0.15 0.00 0.00 42.46 41.59 1ugk s ILE 113 CO 0.00 -0.40 1.27 -2.16 -2.11 0.00 0.00 174.94 171.54 1ugk s PRO 114 N 2.28 4.25 0.00 3.50 0.04 -1.26 -1.24 135.00 142.57 1ugk s PRO 114 Ca 0.11 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.10 1ugk s PRO 114 Cb -0.13 -3.73 1.62 0.00 0.04 0.00 0.00 34.50 32.30 1ugk s PRO 114 CO -0.27 -0.66 1.98 1.28 0.04 0.00 0.00 177.00 179.37 1ugk n LEU 115 N 6.36 0.00 -4.56 -3.56 4.77 -1.20 -4.66 117.00 114.15 1ugk n LEU 115 Ca 0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 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 1.55 -0.55 -1.33 0.00 0.00 177.39 177.62 1ugk s SER 116 N -1.97 4.60 0.00 -1.43 0.15 -1.23 -0.76 113.70 113.06 1ugk s SER 116 Ca 0.41 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1ugk s SER 116 Cb 0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1ugk s SER 116 CO 0.31 -3.04 0.00 0.61 1.20 0.00 0.00 173.24 172.32 1ugk n GLY 117 N 6.36 1.24 3.77 9.45 0.00 -1.26 -5.04 105.19 119.71 1ugk n GLY 117 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.48 2.90 -0.21 -0.61 -1.09 0.06 -5.01 121.20 115.75 1ugk s ILE 118 Ca 0.00 0.91 0.01 0.00 -2.23 0.00 0.00 60.65 59.34 1ugk s ILE 118 Cb 0.00 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 1ugk s ILE 118 CO 0.00 0.22 -0.11 -1.83 -1.23 0.00 0.00 174.94 171.98 1ugk s GLU 119 N -1.70 2.17 0.00 2.79 4.04 -1.26 -4.76 118.70 119.97 1ugk s GLU 119 Ca 0.48 -0.98 0.21 0.00 0.04 0.00 0.00 54.97 54.72 1ugk s GLU 119 Cb -0.38 -2.57 0.63 0.00 0.02 0.00 0.00 34.13 31.83 1ugk s GLU 119 CO 0.50 -0.45 1.49 1.28 -1.84 0.00 0.00 175.26 176.24 1ugk n LEU 120 N 4.61 2.19 -0.06 1.83 4.77 -1.26 -4.40 117.00 124.68 1ugk n LEU 120 Ca -0.15 -0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 54.78 1ugk n LEU 120 Cb 0.46 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1ugk n LEU 120 CO 0.21 0.47 0.50 -1.28 -1.33 0.00 0.00 177.39 175.96 1ugk h SER 121 N 2.85 -1.48 -0.92 -1.43 0.87 -1.96 -0.56 113.55 110.91 1ugk h SER 121 Ca 0.00 0.18 0.18 0.00 -1.23 0.00 0.00 61.79 60.93 1ugk h SER 121 Cb 0.63 0.59 -0.17 0.00 -0.44 0.00 0.00 62.40 63.00 1ugk h SER 121 CO 0.00 -0.37 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.36 1ugk h GLU 122 N -0.41 -0.00 0.00 2.24 5.08 -2.03 -3.47 114.58 115.99 1ugk h GLU 122 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ugk h GLU 122 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ugk h GLU 122 CO -0.42 -0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.00 1ugk n GLY 123 N -1.58 -0.45 3.68 -3.84 0.00 -0.22 -5.10 105.19 97.68 1ugk n GLY 123 Ca 0.14 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.64 4.28 0.14 1.61 2.20 -1.26 -4.62 119.74 120.44 1ugk s LYS 124 Ca 0.00 0.68 0.08 0.00 -0.36 0.00 0.00 55.97 56.37 1ugk s LYS 124 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1ugk s LYS 124 CO 0.00 -0.14 -0.08 0.00 -0.36 0.00 0.00 175.35 174.77 1ugk s MET 125 N 1.55 2.15 -0.16 4.03 0.23 -0.83 -4.97 119.30 121.32 1ugk s MET 125 Ca 0.31 -1.11 -0.08 0.00 -1.03 0.00 0.00 55.69 53.78 1ugk s MET 125 Cb -0.16 -2.27 -0.04 0.00 -1.53 0.00 0.00 34.83 30.82 1ugk s MET 125 CO 0.12 0.48 0.12 -1.17 -2.03 0.00 0.00 175.02 172.53 1ugk s LEU 126 N -2.53 4.19 0.04 0.18 1.98 -1.26 -1.77 118.68 119.51 1ugk s LEU 126 Ca 0.24 0.31 -0.04 0.00 -2.89 0.00 0.00 54.13 51.74 1ugk s LEU 126 Cb -0.10 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.69 1ugk s LEU 126 CO 0.15 0.29 0.06 -0.04 -1.89 0.00 0.00 176.35 174.92 1ugk s MET 127 N -0.32 0.55 0.17 1.98 -1.94 0.82 -4.99 119.30 115.56 1ugk s MET 127 Ca 0.11 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1ugk s MET 127 Cb -0.12 0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.89 1ugk s MET 127 CO 0.01 -0.13 0.01 0.54 -0.01 0.00 0.00 175.02 175.45 1ugk s ASN 128 N -2.14 1.05 -0.08 3.03 4.22 -1.26 -1.25 114.94 118.51 1ugk s ASN 128 Ca -0.05 -1.18 -0.18 0.00 -2.14 0.00 0.00 52.86 49.30 1ugk s ASN 128 Cb -0.01 0.15 0.04 0.00 1.28 0.00 0.00 41.25 42.71 1ugk s ASN 128 CO -0.05 -0.60 0.44 -0.13 -2.04 0.00 0.00 177.10 174.72 1ugk s ARG 129 N -3.94 0.69 0.10 3.55 1.81 -0.43 -4.97 118.95 115.75 1ugk s ARG 129 Ca 0.24 0.22 -0.20 0.00 -1.72 0.00 0.00 55.73 54.27 1ugk s ARG 129 Cb 0.06 0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.82 1ugk s ARG 129 CO 0.04 -0.16 0.61 -1.83 -0.68 0.00 0.00 175.30 173.27 1ugk s GLU 130 N -0.69 4.25 -0.28 3.54 -1.05 -1.26 -0.54 118.70 122.67 1ugk s GLU 130 Ca -0.08 0.80 -0.13 0.00 -0.15 0.00 0.00 54.97 55.41 1ugk s GLU 130 Cb -0.03 -3.21 -0.04 0.00 -0.44 0.00 0.00 34.13 30.41 1ugk s GLU 130 CO 0.04 0.61 0.29 0.42 0.95 0.00 0.00 175.26 177.57 1ugk s ILE 131 N -1.16 5.23 0.04 1.83 1.01 0.13 -4.83 121.20 123.46 1ugk s ILE 131 Ca 0.31 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1ugk s ILE 131 Cb -0.20 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ugk s ILE 131 CO 0.20 0.16 0.02 2.30 0.00 0.00 0.00 174.94 177.62 1ugk n ILE 132 N 5.11 0.00 -2.92 2.92 -6.64 -1.26 -3.53 119.36 113.03 1ugk n ILE 132 Ca -0.11 -0.24 -0.43 0.00 -1.77 0.00 0.00 62.75 60.20 1ugk n ILE 132 Cb 0.51 0.09 0.01 0.00 -1.44 0.00 0.00 39.64 38.81 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 -2.19 5.95 -0.53 7.28 2.88 -1.26 -3.00 113.62 122.74 1ugk n SER 133 Ca -0.00 -3.27 0.02 0.00 -1.33 0.00 0.00 58.87 54.29 1ugk n SER 133 Cb 0.06 -1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 62.16 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 2.00 -3.12 3.80 0.46 0.00 -1.26 -4.97 105.19 102.11 1ugk n GLY 134 Ca 0.29 -1.20 -0.30 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 -4.13 1.80 0.00 1.61 0.04 -1.26 -5.03 135.00 128.02 1ugk s PRO 135 Ca 0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1ugk s PRO 135 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ugk s PRO 135 CO 0.00 -1.80 0.00 0.45 0.04 0.00 0.00 177.00 175.69 1ugk n SER 136 N -3.53 0.00 -0.02 6.66 2.88 -1.26 -5.09 113.62 113.26 1ugk n SER 136 Ca 0.07 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.55 1ugk n SER 136 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1ugk n SER 136 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugk n SER 137 N 0.00 1.33 -0.06 -3.46 7.64 -1.26 -5.24 113.62 112.56 1ugk n SER 137 Ca 0.00 0.20 0.01 0.00 1.01 0.00 0.00 58.87 60.09 1ugk n SER 137 Cb 0.00 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.73 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64