#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 -1.23 0.05 1.61 1.04 -1.26 -5.06 113.70 108.84 1ugk s SER 2 Ca 0.00 0.70 -0.28 0.00 0.48 0.00 0.00 55.95 56.85 1ugk s SER 2 Cb 0.00 2.01 0.10 0.00 0.10 0.00 0.00 66.02 68.23 1ugk s SER 2 CO 0.00 -0.23 1.17 -0.44 0.98 0.00 0.00 173.24 174.72 1ugk s SER 3 N 2.88 -0.10 0.17 7.02 0.01 -1.26 -5.18 113.70 117.24 1ugk s SER 3 Ca 0.16 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.28 1ugk s SER 3 Cb -0.13 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1ugk s SER 3 CO -0.20 -0.52 -0.13 -0.83 0.41 0.00 0.00 173.24 171.98 1ugk s GLY 4 N -2.97 1.73 -0.25 3.44 0.00 -1.26 -5.05 107.32 102.95 1ugk s GLY 4 Ca 0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 1ugk s GLY 4 CO -0.02 -1.47 0.49 -0.45 0.00 0.00 0.00 173.10 171.65 1ugk s SER 5 N -2.66 -0.51 0.41 1.64 0.15 -1.26 -5.13 113.70 106.34 1ugk s SER 5 Ca 0.23 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1ugk s SER 5 Cb -0.09 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1ugk s SER 5 CO 0.14 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 173.12 1ugk n SER 6 N 5.40 -6.87 -4.68 5.45 7.64 -1.26 -4.91 113.62 114.39 1ugk n SER 6 Ca -0.05 0.87 -0.31 0.00 1.01 0.00 0.00 58.87 60.39 1ugk n SER 6 Cb 0.50 -3.78 -0.08 0.00 -1.01 0.00 0.00 64.21 59.84 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 -6.78 1.89 0.00 0.23 0.00 -1.26 -4.96 107.32 96.44 1ugk s GLY 7 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1ugk s GLY 7 CO 0.00 -0.98 0.00 1.04 0.00 0.00 0.00 173.10 173.16 1ugk n LEU 8 N 0.92 0.00 0.00 0.66 7.99 -1.14 -5.00 117.00 120.43 1ugk n LEU 8 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 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 0.37 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 1ugk n GLY 9 N 2.35 2.63 3.43 -0.72 0.00 0.10 -4.37 105.19 108.63 1ugk n GLY 9 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.73 2.09 0.07 2.61 2.01 0.50 0.01 115.64 120.21 1ugk s THR 10 Ca 0.00 -2.28 0.08 0.00 0.31 0.00 0.00 61.69 59.80 1ugk s THR 10 Cb 0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1ugk s THR 10 CO 0.00 -0.43 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.07 1ugk s LEU 11 N -3.45 2.22 -0.03 4.42 2.96 0.46 -1.34 118.68 123.93 1ugk s LEU 11 Ca 0.28 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1ugk s LEU 11 Cb -0.01 -0.96 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1ugk s LEU 11 CO 0.12 0.12 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.77 1ugk s PHE 12 N -0.95 1.39 -0.04 5.38 0.08 -0.54 -0.09 117.98 123.21 1ugk s PHE 12 Ca 0.07 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1ugk s PHE 12 Cb -0.09 -0.94 0.11 0.00 -0.57 0.00 0.00 43.02 41.53 1ugk s PHE 12 CO 0.03 -0.10 0.95 -0.59 -0.10 0.00 0.00 175.22 175.41 1ugk s PHE 13 N -0.05 -0.30 -0.06 0.36 -0.71 0.37 -1.27 117.98 116.31 1ugk s PHE 13 Ca -0.00 0.19 -0.01 0.00 -1.04 0.00 0.00 56.93 56.07 1ugk s PHE 13 Cb -0.09 0.53 0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1ugk s PHE 13 CO 0.01 -0.47 0.02 -1.12 -1.34 0.00 0.00 175.22 172.31 1ugk s SER 14 N -2.40 1.34 0.22 1.98 0.01 -0.54 0.11 113.70 114.43 1ugk s SER 14 Ca 0.06 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1ugk s SER 14 Cb -0.01 -0.32 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1ugk s SER 14 CO -0.08 -0.20 1.05 -0.76 0.41 0.00 0.00 173.24 173.65 1ugk s LEU 15 N 1.95 4.55 -0.09 2.44 2.01 -1.11 -2.50 118.68 125.94 1ugk s LEU 15 Ca 0.04 2.09 -0.04 0.00 0.01 0.00 0.00 54.13 56.24 1ugk s LEU 15 Cb -0.12 -3.61 0.05 0.00 0.01 0.00 0.00 46.19 42.51 1ugk s LEU 15 CO -0.04 -0.08 0.18 -0.70 1.01 0.00 0.00 176.35 176.72 1ugk s GLU 16 N -0.93 0.10 -0.23 1.70 2.12 0.15 -3.27 118.70 118.33 1ugk s GLU 16 Ca 0.45 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 56.19 1ugk s GLU 16 Cb -0.29 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1ugk s GLU 16 CO 0.36 -0.22 0.12 -0.47 -0.54 0.00 0.00 175.26 174.51 1ugk s TYR 17 N 1.66 3.22 -0.84 5.30 5.04 -1.26 0.20 117.35 130.67 1ugk s TYR 17 Ca -0.04 0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 1ugk s TYR 17 Cb -0.12 -2.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.91 1ugk s TYR 17 CO -0.07 -0.05 2.01 -1.71 -1.34 0.00 0.00 175.55 174.39 1ugk n ASN 18 N 4.38 4.40 -0.32 4.32 2.85 0.43 -4.63 115.26 126.69 1ugk n ASN 18 Ca -0.16 -2.32 0.14 0.00 -0.11 0.00 0.00 54.58 52.14 1ugk n ASN 18 Cb 0.52 -1.05 0.30 0.00 1.24 0.00 0.00 39.78 40.78 1ugk n ASN 18 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ugk h PHE 19 N 6.55 0.10 -0.83 1.20 0.04 -1.93 1.71 116.94 123.78 1ugk h PHE 19 Ca 0.45 0.06 0.20 0.00 2.80 0.00 0.00 57.97 61.49 1ugk h PHE 19 Cb 0.18 0.11 -0.13 0.00 2.20 0.00 0.00 35.95 38.32 1ugk h PHE 19 CO 1.92 -0.37 0.25 1.49 -0.60 0.00 0.00 178.31 181.00 1ugk h GLU 20 N 0.06 0.27 -0.21 1.51 4.81 -1.95 0.13 114.58 119.21 1ugk h GLU 20 Ca 0.59 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.75 1ugk h GLU 20 Cb 1.22 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1ugk h GLU 20 CO -0.83 0.18 -0.06 0.54 -0.73 0.00 0.00 179.01 178.11 1ugk n ARG 21 N -5.16 2.12 -3.82 1.92 1.74 0.28 -4.99 116.66 108.76 1ugk n ARG 21 Ca 0.19 -2.92 -0.30 0.00 -0.77 0.00 0.00 57.85 54.05 1ugk n ARG 21 Cb 0.59 -1.74 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.95 -0.98 -4.27 5.56 5.02 0.51 -4.94 118.16 118.11 1ugk n LYS 22 Ca 0.23 0.41 -0.15 0.00 -2.02 0.00 0.00 58.31 56.79 1ugk n LYS 22 Cb 0.86 -2.01 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugk s ALA 23 N -3.18 1.51 -0.17 7.82 0.00 -0.47 -4.37 121.76 122.90 1ugk s ALA 23 Ca 0.17 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.33 1ugk s ALA 23 Cb -0.09 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1ugk s ALA 23 CO 0.83 -0.47 -0.07 0.12 0.00 0.00 0.00 175.76 176.18 1ugk s PHE 24 N -3.84 2.94 -0.16 0.00 5.36 0.91 0.16 117.98 123.34 1ugk s PHE 24 Ca 0.35 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1ugk s PHE 24 Cb 0.07 -1.98 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1ugk s PHE 24 CO 0.11 -0.29 -0.18 0.08 -1.46 0.00 0.00 175.22 173.49 1ugk s VAL 25 N 0.80 1.84 -0.46 3.12 1.01 0.52 -0.53 120.40 126.70 1ugk s VAL 25 Ca -0.02 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ugk s VAL 25 Cb -0.15 -1.68 0.12 0.00 0.00 0.00 0.00 36.38 34.68 1ugk s VAL 25 CO 0.01 0.50 0.30 -0.69 0.00 0.00 0.00 175.10 175.22 1ugk s VAL 26 N 1.30 3.74 -0.44 2.92 1.01 -0.59 0.34 120.40 128.68 1ugk s VAL 26 Ca 0.03 -2.06 -0.27 0.00 0.00 0.00 0.00 61.98 59.69 1ugk s VAL 26 Cb -0.13 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1ugk s VAL 26 CO -0.10 -0.75 0.99 0.21 0.00 0.00 0.00 175.10 175.44 1ugk s ASN 27 N 2.05 6.59 -0.57 3.32 3.04 -1.04 -2.98 114.94 125.34 1ugk s ASN 27 Ca 0.08 0.34 -0.19 0.00 0.04 0.00 0.00 52.86 53.13 1ugk s ASN 27 Cb -0.24 -2.48 0.09 0.00 -1.54 0.00 0.00 41.25 37.08 1ugk s ASN 27 CO -0.03 -1.06 0.68 -0.63 -3.04 0.00 0.00 177.10 173.03 1ugk s ILE 28 N 3.87 4.83 0.00 -5.21 1.01 -0.43 -1.47 121.20 123.80 1ugk s ILE 28 Ca 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ugk s ILE 28 Cb -0.10 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1ugk s ILE 28 CO 0.26 -1.03 0.00 1.17 0.00 0.00 0.00 174.94 175.33 1ugk n LYS 29 N 6.30 2.20 -4.18 2.79 4.81 -0.40 -0.99 118.16 128.69 1ugk n LYS 29 Ca -0.09 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.08 1ugk n LYS 29 Cb 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1ugk s GLU 30 N 0.00 2.23 -0.02 1.64 -1.05 -1.22 -1.77 118.70 118.51 1ugk s GLU 30 Ca 0.00 -2.02 0.04 0.00 -0.15 0.00 0.00 54.97 52.84 1ugk s GLU 30 Cb 0.00 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.76 1ugk s GLU 30 CO 0.00 -0.33 -0.14 0.00 0.95 0.00 0.00 175.26 175.73 1ugk s ALA 31 N -2.71 1.22 -0.02 -0.84 0.00 -0.86 -1.47 121.76 117.07 1ugk s ALA 31 Ca 0.31 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1ugk s ALA 31 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ugk s ALA 31 CO 0.18 0.28 -0.10 1.03 0.00 0.00 0.00 175.76 177.15 1ugk s ARG 32 N -0.25 1.02 0.00 0.00 0.52 -0.45 -3.52 118.95 116.27 1ugk s ARG 32 Ca 0.04 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1ugk s ARG 32 Cb -0.07 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.46 1ugk s ARG 32 CO -0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1ugk n GLY 33 N 3.21 1.21 3.54 -3.53 0.00 -1.26 0.19 105.19 108.54 1ugk n GLY 33 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 4.46 0.01 0.99 1.43 -1.25 -0.72 118.68 123.61 1ugk s LEU 34 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1ugk s LEU 34 Cb 0.00 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1ugk s LEU 34 CO 0.00 -0.27 1.19 -2.16 0.23 0.00 0.00 176.35 175.34 1ugk s PRO 35 N 1.84 4.41 1.01 1.29 0.04 -1.26 -4.78 135.00 137.54 1ugk s PRO 35 Ca 0.08 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1ugk s PRO 35 Cb -0.17 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.83 1ugk s PRO 35 CO 0.11 -0.32 -0.70 0.00 0.04 0.00 0.00 177.00 176.13 1ugk n ALA 36 N 4.45 -4.89 -0.02 8.56 0.00 -1.26 -4.96 120.51 122.39 1ugk n ALA 36 Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 1ugk n ALA 36 Cb 0.47 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 1.05 0.11 -4.01 0.00 2.81 -1.26 -5.02 117.12 110.81 1ugk n MET 37 Ca -0.00 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.65 1ugk n MET 37 Cb 0.62 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 32.06 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 -4.49 4.57 0.00 7.83 1.01 -1.26 -5.04 116.67 119.29 1ugk s ASP 38 Ca -0.06 -1.27 0.13 0.00 0.71 0.00 0.00 52.55 52.06 1ugk s ASP 38 Cb 0.02 0.34 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 1ugk s ASP 38 CO 0.10 -1.02 0.70 -1.84 0.21 0.00 0.00 175.17 173.31 1ugk n GLU 39 N -1.66 2.10 0.00 8.23 0.28 -1.26 -4.32 120.64 124.01 1ugk n GLU 39 Ca -0.04 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.40 1ugk n GLU 39 Cb 0.65 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.36 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ugk n GLN 40 N -0.40 0.00 -1.57 3.44 6.02 -1.26 -3.63 117.38 119.97 1ugk n GLN 40 Ca 0.05 0.37 -0.08 0.00 -0.01 0.00 0.00 57.00 57.32 1ugk n GLN 40 Cb 0.26 -0.81 0.09 0.00 1.02 0.00 0.00 30.24 30.80 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ugk n SER 41 N -0.78 3.02 -3.76 1.08 2.88 -1.26 -4.99 113.62 109.81 1ugk n SER 41 Ca 0.00 -3.43 -0.30 0.00 -1.33 0.00 0.00 58.87 53.81 1ugk n SER 41 Cb 0.00 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.06 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ugk n MET 42 N -0.72 -1.05 -3.87 -1.46 1.56 -1.24 -4.95 117.12 105.38 1ugk n MET 42 Ca 0.27 0.56 -0.03 0.00 -0.27 0.00 0.00 57.70 58.22 1ugk n MET 42 Cb 0.87 -3.28 0.02 0.00 2.15 0.00 0.00 33.22 32.98 1ugk n MET 42 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1ugk n THR 43 N -3.68 0.00 -3.84 1.12 5.66 -1.26 -4.93 114.28 107.35 1ugk n THR 43 Ca -0.16 -0.59 -0.05 0.00 -3.05 0.00 0.00 64.05 60.20 1ugk n THR 43 Cb 0.61 0.79 0.01 0.00 -1.55 0.00 0.00 70.33 70.19 1ugk n THR 43 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ugk s SER 44 N -3.43 -0.05 -0.64 1.09 1.04 -1.26 -3.99 113.70 106.46 1ugk s SER 44 Ca 0.23 -0.72 0.06 0.00 0.48 0.00 0.00 55.95 55.99 1ugk s SER 44 Cb -0.03 0.59 0.24 0.00 0.10 0.00 0.00 66.02 66.92 1ugk s SER 44 CO 0.06 -1.15 0.71 0.47 0.98 0.00 0.00 173.24 174.31 1ugk n ASP 45 N -1.07 3.61 -3.83 7.02 8.00 -1.26 -2.16 116.55 126.86 1ugk n ASP 45 Ca -0.05 -3.40 -0.30 0.00 0.71 0.00 0.00 54.79 51.75 1ugk n ASP 45 Cb 0.60 -0.68 0.23 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.33 -0.52 -0.29 -0.24 0.04 -1.26 -3.14 135.00 127.26 1ugk s PRO 46 Ca 0.38 -0.34 -0.27 0.00 0.04 0.00 0.00 61.00 60.81 1ugk s PRO 46 Cb 0.13 -1.70 0.19 0.00 0.04 0.00 0.00 34.50 33.15 1ugk s PRO 46 CO -0.03 -3.20 1.39 1.52 0.04 0.00 0.00 177.00 176.72 1ugk s TYR 47 N -3.49 -0.06 0.02 0.56 1.13 -0.35 -3.90 117.35 111.26 1ugk s TYR 47 Ca 0.74 0.12 -0.16 0.00 -1.41 0.00 0.00 57.07 56.36 1ugk s TYR 47 Cb -0.05 0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 41.24 1ugk s TYR 47 CO 0.55 -0.04 0.46 0.42 -2.51 0.00 0.00 175.55 174.42 1ugk s ILE 48 N -0.46 4.95 -0.21 -3.49 1.01 -1.26 -2.29 121.20 119.45 1ugk s ILE 48 Ca 0.08 0.95 -0.06 0.00 0.00 0.00 0.00 60.65 61.61 1ugk s ILE 48 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1ugk s ILE 48 CO -0.12 0.56 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1ugk s LYS 49 N -1.01 3.74 0.11 2.79 1.02 -0.84 -1.75 119.74 123.81 1ugk s LYS 49 Ca 0.25 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 1ugk s LYS 49 Cb -0.17 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1ugk s LYS 49 CO 0.15 0.04 0.34 1.41 -0.92 0.00 0.00 175.35 176.37 1ugk s MET 50 N 0.97 3.60 -0.27 1.68 1.75 0.49 -2.18 119.30 125.34 1ugk s MET 50 Ca 0.03 -0.12 -0.15 0.00 -1.25 0.00 0.00 55.69 54.20 1ugk s MET 50 Cb -0.14 -2.91 0.08 0.00 2.84 0.00 0.00 34.83 34.70 1ugk s MET 50 CO 0.02 0.51 0.66 0.99 -0.65 0.00 0.00 175.02 176.56 1ugk s THR 51 N -1.58 -0.02 -0.95 10.11 2.01 -1.21 -1.71 115.64 122.29 1ugk s THR 51 Ca 0.38 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 1ugk s THR 51 Cb -0.12 -0.96 0.12 0.00 0.01 0.00 0.00 72.50 71.55 1ugk s THR 51 CO 0.24 0.00 1.17 -0.63 -0.69 0.00 0.00 174.62 174.72 1ugk s ILE 52 N 1.63 4.66 0.46 1.82 1.01 -1.18 -1.88 121.20 127.73 1ugk s ILE 52 Ca -0.10 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 58.90 1ugk s ILE 52 Cb -0.05 -4.81 -0.06 0.00 0.01 0.00 0.00 42.46 37.54 1ugk s ILE 52 CO -0.19 -1.56 0.83 -0.76 0.00 0.00 0.00 174.94 173.26 1ugk s LEU 53 N 2.87 3.69 0.38 2.97 2.01 0.48 0.24 118.68 131.32 1ugk s LEU 53 Ca 0.35 1.18 0.20 0.00 0.01 0.00 0.00 54.13 55.87 1ugk s LEU 53 Cb -0.04 -4.10 0.57 0.00 0.01 0.00 0.00 46.19 42.63 1ugk s LEU 53 CO -0.09 -0.51 1.67 1.55 1.01 0.00 0.00 176.35 179.98 1ugk h PRO 54 N 0.82 0.00 -0.12 1.29 0.13 -1.81 1.24 132.00 133.54 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 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ugk h PRO 54 CO 0.63 0.32 -0.07 0.39 -0.23 0.00 0.00 178.00 179.04 1ugk n GLU 55 N -3.33 -0.05 -0.90 0.86 1.02 -0.97 -4.66 120.64 112.60 1ugk n GLU 55 Ca 0.01 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1ugk n GLU 55 Cb 0.55 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 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 -3.28 -0.38 0.05 3.49 4.81 0.66 -4.87 118.16 118.63 1ugk n LYS 56 Ca 0.00 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.51 1ugk n LYS 56 Cb 0.03 -3.52 -0.01 0.00 0.02 0.00 0.00 35.03 31.55 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 1.23 -0.16 -4.98 1.64 1.63 -1.83 -3.38 116.57 110.73 1ugk h LYS 57 Ca 0.00 0.01 -0.43 0.00 -0.85 0.00 0.00 60.65 59.38 1ugk h LYS 57 Cb 0.19 0.04 0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1ugk h LYS 57 CO 0.00 -0.11 1.31 0.72 -3.45 0.00 0.00 179.45 177.92 1ugk n HIS 58 N -3.56 1.41 -3.26 1.91 8.25 -1.26 -4.86 115.22 113.84 1ugk n HIS 58 Ca -0.02 -1.06 -0.39 0.00 -0.26 0.00 0.00 57.72 55.99 1ugk n HIS 58 Cb 0.07 -1.86 -0.07 0.00 1.12 0.00 0.00 29.99 29.25 1ugk n HIS 58 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ugk s LYS 59 N 6.58 4.17 0.02 -0.41 2.20 -1.26 -3.07 119.74 127.96 1ugk s LYS 59 Ca 0.68 0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1ugk s LYS 59 Cb 0.07 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1ugk s LYS 59 CO 0.20 -0.17 -0.02 0.14 -0.36 0.00 0.00 175.35 175.14 1ugk s VAL 60 N 1.70 0.09 0.11 4.02 -7.23 -0.69 -5.01 120.40 113.38 1ugk s VAL 60 Ca 0.23 -0.74 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 1ugk s VAL 60 Cb -0.15 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 1ugk s VAL 60 CO 0.09 -0.41 -0.15 -1.59 -0.31 0.00 0.00 175.10 172.74 1ugk s LYS 61 N -1.20 0.97 -0.09 4.82 -2.85 -1.26 0.19 119.74 120.31 1ugk s LYS 61 Ca -0.13 -1.15 -0.16 0.00 -1.00 0.00 0.00 55.97 53.53 1ugk s LYS 61 Cb -0.08 -0.92 -0.05 0.00 -2.06 0.00 0.00 37.83 34.72 1ugk s LYS 61 CO -0.01 0.19 0.40 0.95 0.10 0.00 0.00 175.35 176.98 1ugk s THR 62 N -1.80 5.17 0.42 3.79 -4.23 -0.72 -4.93 115.64 113.35 1ugk s THR 62 Ca 0.05 0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 61.22 1ugk s THR 62 Cb -0.07 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 69.92 1ugk s THR 62 CO 0.03 0.43 -0.12 -1.14 -0.54 0.00 0.00 174.62 173.27 1ugk n ARG 63 N 3.03 0.00 -3.45 3.99 0.00 -1.26 -4.42 116.66 114.56 1ugk n ARG 63 Ca -0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.31 1ugk n ARG 63 Cb 0.52 -0.80 -0.06 0.00 0.00 0.00 0.00 32.46 32.12 1ugk n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ugk s VAL 64 N -1.60 4.78 0.78 5.15 0.11 -1.26 -4.78 120.40 123.57 1ugk s VAL 64 Ca 0.45 -2.02 -0.15 0.00 -2.93 0.00 0.00 61.98 57.33 1ugk s VAL 64 Cb -0.39 -4.06 0.02 0.00 -1.53 0.00 0.00 36.38 30.42 1ugk s VAL 64 CO 0.53 -0.88 0.87 0.18 -3.33 0.00 0.00 175.10 172.48 1ugk n LEU 65 N 4.59 2.71 -4.88 2.54 4.77 -1.25 -4.89 117.00 120.58 1ugk n LEU 65 Ca -0.02 0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 56.19 1ugk n LEU 65 Cb 0.42 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1ugk n LEU 65 CO 0.42 -2.38 -0.11 -0.13 -1.33 0.00 0.00 177.39 173.86 1ugk s ARG 66 N -3.48 3.52 -0.20 3.23 1.81 -1.26 -4.18 118.95 118.39 1ugk s ARG 66 Ca 0.69 -0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 54.42 1ugk s ARG 66 Cb -0.31 -3.14 0.03 0.00 -0.45 0.00 0.00 34.95 31.07 1ugk s ARG 66 CO 0.54 0.71 0.29 1.63 -0.68 0.00 0.00 175.30 177.80 1ugk n LYS 67 N 1.49 -0.96 -3.15 3.54 5.02 -1.20 -4.98 118.16 117.92 1ugk n LYS 67 Ca -0.15 0.98 0.06 0.00 -2.02 0.00 0.00 58.31 57.18 1ugk n LYS 67 Cb 0.54 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.10 -0.17 0.42 -0.18 -1.32 -0.92 -4.92 115.64 107.44 1ugk s THR 68 Ca 0.17 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.78 1ugk s THR 68 Cb -0.02 -0.48 0.16 0.00 -1.51 0.00 0.00 72.50 70.65 1ugk s THR 68 CO 0.39 0.00 1.94 -0.07 -2.21 0.00 0.00 174.62 174.67 1ugk h LEU 69 N 7.48 0.06 -7.18 9.08 -0.00 -1.86 -3.28 115.31 119.61 1ugk h LEU 69 Ca -0.11 -0.01 -0.65 0.00 -0.00 0.00 0.00 57.88 57.11 1ugk h LEU 69 Cb 1.17 -0.02 -0.40 0.00 -0.00 0.00 0.00 40.66 41.42 1ugk h LEU 69 CO -0.14 0.27 -0.44 1.51 -0.00 0.00 0.00 178.44 179.64 1ugk s ASP 70 N -6.96 5.14 0.34 -0.43 -4.77 -1.26 -3.74 116.67 105.00 1ugk s ASP 70 Ca -0.04 -3.75 -0.26 0.00 -3.30 0.00 0.00 52.55 45.19 1ugk s ASP 70 Cb 0.15 -1.72 -0.09 0.00 -1.09 0.00 0.00 42.92 40.17 1ugk s ASP 70 CO 0.71 -0.13 1.07 -2.16 0.70 0.00 0.00 175.17 175.36 1ugk s PRO 71 N -1.33 4.39 -0.42 2.11 0.04 -1.23 -4.87 135.00 133.68 1ugk s PRO 71 Ca 0.25 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.96 1ugk s PRO 71 Cb -0.07 -2.84 0.12 0.00 0.04 0.00 0.00 34.50 31.75 1ugk s PRO 71 CO -0.14 0.03 0.16 0.00 0.04 0.00 0.00 177.00 177.09 1ugk s ALA 72 N -1.43 2.80 -0.02 8.56 0.00 -1.26 -2.03 121.76 128.38 1ugk s ALA 72 Ca 0.52 -2.73 -0.16 0.00 0.00 0.00 0.00 51.96 49.58 1ugk s ALA 72 Cb -0.26 -1.99 -0.33 0.00 0.00 0.00 0.00 23.12 20.53 1ugk s ALA 72 CO 0.33 -1.87 0.87 0.74 0.00 0.00 0.00 175.76 175.83 1ugk h PHE 73 N 7.11 0.79 -7.07 0.00 0.04 -1.81 -3.48 116.94 112.53 1ugk h PHE 73 Ca -0.06 -0.58 -0.61 0.00 2.80 0.00 0.00 57.97 59.52 1ugk h PHE 73 Cb 0.96 -0.03 -0.30 0.00 2.20 0.00 0.00 35.95 38.77 1ugk h PHE 73 CO 0.47 1.53 -0.91 -3.47 -0.60 0.00 0.00 178.31 175.34 1ugk n ASP 74 N -3.81 -0.60 -4.33 2.17 2.03 -0.17 -4.88 116.55 106.96 1ugk n ASP 74 Ca -0.19 -1.23 -0.28 0.00 0.52 0.00 0.00 54.79 53.61 1ugk n ASP 74 Cb 1.02 -1.55 0.16 0.00 -0.72 0.00 0.00 41.12 40.02 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugk s GLU 75 N -7.17 1.02 -0.23 -0.67 0.41 -0.36 -4.83 118.70 106.88 1ugk s GLU 75 Ca 0.46 -0.56 -0.09 0.00 -0.41 0.00 0.00 54.97 54.37 1ugk s GLU 75 Cb -0.27 -1.99 0.10 0.00 -1.78 0.00 0.00 34.13 30.19 1ugk s GLU 75 CO 0.99 -2.09 0.50 0.99 -0.49 0.00 0.00 175.26 175.16 1ugk s THR 76 N -3.66 -0.62 -0.15 3.63 2.01 -1.26 -1.31 115.64 114.28 1ugk s THR 76 Ca 0.71 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1ugk s THR 76 Cb -0.05 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1ugk s THR 76 CO 0.50 0.04 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.94 1ugk s PHE 77 N 2.48 2.74 0.18 4.92 0.08 -1.16 -4.96 117.98 122.26 1ugk s PHE 77 Ca -0.04 -1.13 0.04 0.00 0.12 0.00 0.00 56.93 55.92 1ugk s PHE 77 Cb -0.11 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1ugk s PHE 77 CO -0.15 -0.51 0.26 0.99 -0.10 0.00 0.00 175.22 175.71 1ugk s THR 78 N 0.79 5.05 -0.20 0.64 2.01 -1.26 -1.54 115.64 121.13 1ugk s THR 78 Ca -0.06 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 1ugk s THR 78 Cb -0.15 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1ugk s THR 78 CO -0.00 -0.18 0.51 -0.36 -0.69 0.00 0.00 174.62 173.90 1ugk s PHE 79 N -1.84 -0.70 0.05 4.92 0.08 0.31 -4.95 117.98 115.85 1ugk s PHE 79 Ca 0.33 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.96 1ugk s PHE 79 Cb -0.10 0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 42.64 1ugk s PHE 79 CO 0.27 -0.36 -0.07 0.71 -0.10 0.00 0.00 175.22 175.67 1ugk s TYR 80 N 1.09 2.85 0.00 0.36 1.51 -1.26 -0.07 117.35 121.83 1ugk s TYR 80 Ca -0.07 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1ugk s TYR 80 Cb -0.06 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1ugk s TYR 80 CO -0.10 0.41 0.00 0.41 -1.11 0.00 0.00 175.55 175.16 1ugk n GLY 81 N 1.09 1.80 3.64 0.71 0.00 -1.26 -5.03 105.19 106.14 1ugk n GLY 81 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1ugk n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 82 N -1.69 4.33 -0.83 -0.61 1.09 -1.26 -4.87 121.20 117.36 1ugk s ILE 82 Ca 0.00 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 1ugk s ILE 82 Cb 0.00 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.14 1ugk s ILE 82 CO 0.00 -0.43 0.44 -0.81 -0.10 0.00 0.00 174.94 174.04 1ugk n PRO 83 N 7.01 0.75 0.00 2.79 -0.04 -1.26 -4.68 135.00 139.56 1ugk n PRO 83 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1ugk n PRO 83 Cb 0.47 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.21 0.00 0.30 0.54 9.36 -1.26 -4.17 117.16 122.14 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 0.22 0.00 0.80 0.00 -0.63 0.00 0.00 39.34 39.73 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 0.00 2.97 1.35 -2.01 1.41 112.91 116.63 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 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1ugk h THR 85 CO 0.00 0.00 -0.43 1.67 -0.25 0.00 0.00 175.52 176.51 1ugk n GLN 86 N -2.74 0.09 -0.33 4.72 7.27 -1.26 -3.83 117.38 121.30 1ugk n GLN 86 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1ugk n GLN 86 Cb 0.29 -1.56 0.14 0.00 2.41 0.00 0.00 30.24 31.51 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 1.11 0.00 1.69 1.08 0.16 0.39 117.51 121.94 1ugk h ILE 87 Ca 0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1ugk h ILE 87 Cb 0.58 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1ugk h ILE 87 CO 0.00 0.20 0.00 0.00 -0.69 0.00 0.00 178.15 177.66 1ugk n GLN 88 N -4.54 0.11 -0.36 2.37 6.02 -1.25 -0.97 117.38 118.76 1ugk n GLN 88 Ca 0.13 0.22 0.08 0.00 -0.01 0.00 0.00 57.00 57.41 1ugk n GLN 88 Cb 0.13 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.37 3.08 -1.57 -1.09 -0.58 0.13 -3.37 120.64 115.87 1ugk n GLU 89 Ca 0.05 -2.48 -0.01 0.00 -0.42 0.00 0.00 57.16 54.30 1ugk n GLU 89 Cb 0.11 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 0.61 0.00 0.00 -4.62 4.77 -0.14 -4.23 117.00 113.39 1ugk n LEU 90 Ca 0.18 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ugk n LEU 90 Cb 0.65 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1ugk n LEU 90 CO 0.14 -0.26 0.00 0.00 -1.33 0.00 0.00 177.39 175.95 1ugk n ALA 91 N -2.97 0.00 -2.58 -1.18 0.00 0.42 -3.41 120.51 110.80 1ugk n ALA 91 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1ugk n ALA 91 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 4.37 -0.31 0.00 1.43 -0.66 0.18 118.68 123.70 1ugk s LEU 92 Ca 0.00 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1ugk s LEU 92 Cb 0.00 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1ugk s LEU 92 CO 0.00 0.08 0.03 -2.28 0.23 0.00 0.00 176.35 174.40 1ugk s HIS 93 N 0.05 3.29 -0.40 0.29 2.46 -0.79 -0.47 115.29 119.72 1ugk s HIS 93 Ca 0.29 -1.88 -0.15 0.00 0.47 0.00 0.00 55.06 53.79 1ugk s HIS 93 Cb -0.17 -2.22 0.02 0.00 -0.13 0.00 0.00 32.58 30.07 1ugk s HIS 93 CO 0.15 -0.81 0.33 -0.06 -2.47 0.00 0.00 174.74 171.88 1ugk s PHE 94 N 1.26 3.22 -0.45 3.88 0.08 0.74 -3.30 117.98 123.39 1ugk s PHE 94 Ca -0.04 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 1ugk s PHE 94 Cb -0.20 -2.66 0.11 0.00 -0.57 0.00 0.00 43.02 39.70 1ugk s PHE 94 CO -0.01 -0.59 0.32 0.99 -0.10 0.00 0.00 175.22 175.82 1ugk s THR 95 N 1.81 4.14 -1.18 0.64 2.01 -0.93 0.21 115.64 122.34 1ugk s THR 95 Ca 0.07 -1.72 -0.20 0.00 0.31 0.00 0.00 61.69 60.14 1ugk s THR 95 Cb -0.18 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.68 1ugk s THR 95 CO 0.11 -0.71 1.65 -0.63 -0.69 0.00 0.00 174.62 174.35 1ugk s ILE 96 N 1.36 4.00 0.44 1.82 1.09 -0.44 -1.98 121.20 127.49 1ugk s ILE 96 Ca 0.05 -1.42 0.07 0.00 -1.10 0.00 0.00 60.65 58.25 1ugk s ILE 96 Cb -0.25 -5.08 -0.03 0.00 -1.06 0.00 0.00 42.46 36.04 1ugk s ILE 96 CO -0.00 -1.91 0.27 -1.48 -0.10 0.00 0.00 174.94 171.71 1ugk s LEU 97 N 5.01 3.08 0.21 2.97 2.34 -0.97 -1.94 118.68 129.39 1ugk s LEU 97 Ca 0.52 -1.05 0.09 0.00 0.06 0.00 0.00 54.13 53.76 1ugk s LEU 97 Cb 0.02 -1.53 -0.04 0.00 -0.56 0.00 0.00 46.19 44.08 1ugk s LEU 97 CO 0.02 -0.69 -0.05 -0.94 -1.06 0.00 0.00 176.35 173.63 1ugk s SER 98 N -4.03 4.42 -0.12 1.48 1.04 -0.01 -1.21 113.70 115.26 1ugk s SER 98 Ca 0.40 -0.59 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 1ugk s SER 98 Cb 0.01 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 1ugk s SER 98 CO 0.23 0.06 1.19 0.12 0.98 0.00 0.00 173.24 175.82 1ugk s PHE 99 N -1.96 3.11 0.29 5.02 2.19 -1.19 -3.93 117.98 121.51 1ugk s PHE 99 Ca 0.28 1.20 -0.26 0.00 0.33 0.00 0.00 56.93 58.47 1ugk s PHE 99 Cb -0.08 -3.41 -0.09 0.00 -1.31 0.00 0.00 43.02 38.12 1ugk s PHE 99 CO 0.17 -1.27 0.92 0.16 1.83 0.00 0.00 175.22 177.03 1ugk s ASP 100 N 1.59 7.39 0.00 6.13 1.47 -1.26 -4.91 116.67 127.08 1ugk s ASP 100 Ca 0.54 1.82 0.24 0.00 1.18 0.00 0.00 52.55 56.32 1ugk s ASP 100 Cb -0.22 -2.57 0.54 0.00 -0.34 0.00 0.00 42.92 40.33 1ugk s ASP 100 CO 0.17 0.01 1.45 -2.11 0.68 0.00 0.00 175.17 175.38 1ugk n ARG 101 N 0.86 2.14 0.13 2.11 1.85 -1.26 -4.63 116.66 117.87 1ugk n ARG 101 Ca 0.00 -1.70 0.00 0.00 -1.00 0.00 0.00 57.85 55.15 1ugk n ARG 101 Cb 0.49 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1ugk n ARG 101 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1ugk n PHE 102 N 0.97 -2.37 0.00 2.89 3.72 -1.26 -5.07 117.46 116.34 1ugk n PHE 102 Ca 0.17 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 1ugk n PHE 102 Cb 0.50 0.66 0.00 0.00 -0.94 0.00 0.00 39.48 39.69 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 -3.37 0.00 -4.54 4.37 2.88 -1.26 -5.07 113.62 106.62 1ugk n SER 103 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1ugk n SER 103 Cb 0.00 0.01 -0.10 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.14 0.54 -2.05 -1.46 1.74 -1.26 -4.84 116.66 108.19 1ugk n ARG 104 Ca 0.00 -0.38 -0.43 0.00 -0.77 0.00 0.00 57.85 56.27 1ugk n ARG 104 Cb 0.00 -2.93 -0.03 0.00 -1.02 0.00 0.00 32.46 28.48 1ugk n ARG 104 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1ugk s ASP 105 N 9.21 6.19 -1.02 0.55 -4.77 -1.26 -4.62 116.67 120.96 1ugk s ASP 105 Ca 1.06 1.54 -0.18 0.00 -3.30 0.00 0.00 52.55 51.67 1ugk s ASP 105 Cb -0.39 -2.53 0.12 0.00 -1.09 0.00 0.00 42.92 39.03 1ugk s ASP 105 CO 0.26 -1.43 1.27 -1.81 0.70 0.00 0.00 175.17 174.16 1ugk s ASP 106 N 4.97 6.70 -0.45 2.11 1.01 -1.25 -4.96 116.67 124.79 1ugk s ASP 106 Ca 0.76 -2.15 -0.27 0.00 0.71 0.00 0.00 52.55 51.60 1ugk s ASP 106 Cb -0.25 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.27 1ugk s ASP 106 CO 0.31 -1.08 0.99 -0.63 0.21 0.00 0.00 175.17 174.98 1ugk s ILE 107 N 2.93 4.41 0.13 0.77 1.01 -1.26 -0.83 121.20 128.34 1ugk s ILE 107 Ca 0.38 0.98 -0.19 0.00 0.00 0.00 0.00 60.65 61.81 1ugk s ILE 107 Cb -0.03 -4.47 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 1ugk s ILE 107 CO -0.07 -0.84 1.78 0.40 0.00 0.00 0.00 174.94 176.21 1ugk h ILE 108 N 6.08 1.06 -1.99 2.92 2.04 -1.71 -3.48 117.51 122.44 1ugk h ILE 108 Ca -0.23 -0.11 0.27 0.00 1.00 0.00 0.00 64.86 65.79 1ugk h ILE 108 Cb 1.07 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 1ugk h ILE 108 CO 1.05 0.06 0.73 -0.83 0.00 0.00 0.00 178.15 179.16 1ugk s GLY 109 N -2.40 -0.21 0.20 5.37 0.00 -0.94 -4.76 107.32 104.58 1ugk s GLY 109 Ca -0.13 0.22 0.09 0.00 0.00 0.00 0.00 44.72 44.91 1ugk s GLY 109 CO 0.70 1.79 -0.18 -0.54 0.00 0.00 0.00 173.10 174.86 1ugk s GLU 110 N -2.44 1.38 0.04 2.90 2.02 -1.26 -1.33 118.70 120.01 1ugk s GLU 110 Ca 0.19 -1.52 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 1ugk s GLU 110 Cb 0.01 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.81 1ugk s GLU 110 CO -0.00 0.27 0.06 0.08 0.02 0.00 0.00 175.26 175.69 1ugk s VAL 111 N -2.29 0.14 -0.03 2.63 1.01 0.57 -4.40 120.40 118.03 1ugk s VAL 111 Ca 0.20 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1ugk s VAL 111 Cb -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ugk s VAL 111 CO 0.08 -0.65 0.17 -0.22 0.00 0.00 0.00 175.10 174.48 1ugk s LEU 112 N -2.15 1.40 -0.30 3.92 2.96 -1.26 -0.19 118.68 123.07 1ugk s LEU 112 Ca -0.05 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1ugk s LEU 112 Cb -0.01 0.70 0.13 0.00 0.50 0.00 0.00 46.19 47.50 1ugk s LEU 112 CO -0.05 -0.25 0.25 -0.51 -1.32 0.00 0.00 176.35 174.47 1ugk s ILE 113 N -0.78 -0.27 -0.17 6.68 1.10 0.38 -4.96 121.20 123.18 1ugk s ILE 113 Ca -0.09 -0.67 -0.29 0.00 -0.51 0.00 0.00 60.65 59.09 1ugk s ILE 113 Cb -0.05 -0.97 -0.01 0.00 0.15 0.00 0.00 42.46 41.58 1ugk s ILE 113 CO 0.01 -0.58 1.28 -2.16 -2.11 0.00 0.00 174.94 171.38 1ugk s PRO 114 N 2.15 4.22 0.00 3.50 0.04 -1.26 -1.65 135.00 142.00 1ugk s PRO 114 Ca 0.10 1.66 0.24 0.00 0.04 0.00 0.00 61.00 63.05 1ugk s PRO 114 Cb -0.15 -3.78 1.42 0.00 0.04 0.00 0.00 34.50 32.03 1ugk s PRO 114 CO -0.30 -0.73 1.81 1.28 0.04 0.00 0.00 177.00 179.10 1ugk n LEU 115 N 6.67 0.00 -4.55 -3.56 4.77 -1.22 -4.59 117.00 114.52 1ugk n LEU 115 Ca 0.14 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 1ugk n LEU 115 Cb 0.45 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1ugk n LEU 115 CO 0.56 -0.01 1.60 -0.55 -1.33 0.00 0.00 177.39 177.66 1ugk s SER 116 N -2.08 5.24 0.00 -1.43 0.15 -1.22 -1.75 113.70 112.61 1ugk s SER 116 Ca 0.35 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1ugk s SER 116 Cb 0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1ugk s SER 116 CO 0.29 -2.42 0.00 0.61 1.20 0.00 0.00 173.24 172.93 1ugk n GLY 117 N 5.79 1.36 3.64 9.45 0.00 -1.26 -5.05 105.19 119.12 1ugk n GLY 117 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 3.36 -3.98 -0.61 2.08 -0.72 -4.97 119.36 114.41 1ugk n ILE 118 Ca 0.00 -0.50 -0.31 0.00 0.56 0.00 0.00 62.75 62.50 1ugk n ILE 118 Cb 0.00 -1.28 -0.15 0.00 -0.75 0.00 0.00 39.64 37.47 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ugk s GLU 119 N -2.58 1.57 0.07 0.38 2.02 -1.26 -4.90 118.70 114.00 1ugk s GLU 119 Ca 0.71 -2.04 0.23 0.00 0.02 0.00 0.00 54.97 53.90 1ugk s GLU 119 Cb -0.45 -3.16 0.17 0.00 0.10 0.00 0.00 34.13 30.79 1ugk s GLU 119 CO 0.50 -0.99 1.15 1.28 0.02 0.00 0.00 175.26 177.22 1ugk n LEU 120 N 3.97 0.64 -0.22 1.80 4.77 -1.26 -4.39 117.00 122.30 1ugk n LEU 120 Ca 0.04 0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1ugk n LEU 120 Cb 0.39 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1ugk n LEU 120 CO 0.25 0.02 0.47 -1.54 -1.33 0.00 0.00 177.39 175.26 1ugk n SER 121 N -1.98 -0.56 -0.29 -1.43 3.41 -1.26 0.12 113.62 111.64 1ugk n SER 121 Ca 0.03 1.38 0.23 0.00 -0.26 0.00 0.00 58.87 60.25 1ugk n SER 121 Cb 0.43 -0.34 0.43 0.00 -0.26 0.00 0.00 64.21 64.47 1ugk n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugk n GLU 122 N -4.19 -0.06 0.00 4.33 1.02 -1.26 -4.86 120.64 115.61 1ugk n GLU 122 Ca 0.01 1.26 0.00 0.00 -0.02 0.00 0.00 57.16 58.41 1ugk n GLU 122 Cb 0.14 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1ugk n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ugk n GLY 123 N -1.31 -0.25 3.82 0.62 0.00 0.33 -5.11 105.19 103.29 1ugk n GLY 123 Ca 0.29 -0.60 -0.38 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 -1.69 4.00 -0.03 1.61 2.20 -1.26 -4.53 119.74 120.04 1ugk s LYS 124 Ca 0.00 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1ugk s LYS 124 Cb 0.00 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1ugk s LYS 124 CO 0.00 0.60 -0.12 0.00 -0.36 0.00 0.00 175.35 175.47 1ugk s MET 125 N -0.79 1.20 0.16 4.03 0.23 -1.20 -5.03 119.30 117.89 1ugk s MET 125 Ca 0.24 -0.42 -0.24 0.00 -1.03 0.00 0.00 55.69 54.24 1ugk s MET 125 Cb -0.16 -1.10 -0.08 0.00 -1.53 0.00 0.00 34.83 31.96 1ugk s MET 125 CO 0.13 0.18 0.74 -1.17 -2.03 0.00 0.00 175.02 172.87 1ugk s LEU 126 N 0.04 4.57 0.04 0.18 1.98 -1.26 -2.74 118.68 121.49 1ugk s LEU 126 Ca -0.01 1.58 -0.03 0.00 -2.89 0.00 0.00 54.13 52.77 1ugk s LEU 126 Cb -0.09 -3.26 -0.02 0.00 0.66 0.00 0.00 46.19 43.48 1ugk s LEU 126 CO 0.01 0.21 0.03 -0.04 -1.89 0.00 0.00 176.35 174.66 1ugk s MET 127 N -1.20 0.56 0.11 1.98 -1.94 0.31 -4.96 119.30 114.16 1ugk s MET 127 Ca 0.35 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 1ugk s MET 127 Cb -0.22 0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.79 1ugk s MET 127 CO 0.25 -0.12 -0.09 0.54 -0.01 0.00 0.00 175.02 175.58 1ugk s ASN 128 N -2.39 1.46 0.01 3.03 4.22 -1.26 -0.48 114.94 119.54 1ugk s ASN 128 Ca -0.01 -0.90 0.00 0.00 -2.14 0.00 0.00 52.86 49.81 1ugk s ASN 128 Cb 0.01 0.02 -0.01 0.00 1.28 0.00 0.00 41.25 42.56 1ugk s ASN 128 CO -0.07 -0.33 -0.02 -0.13 -2.04 0.00 0.00 177.10 174.52 1ugk s ARG 129 N -3.25 0.22 -0.05 3.55 1.81 0.87 -4.93 118.95 117.16 1ugk s ARG 129 Ca 0.09 -0.40 -0.09 0.00 -1.72 0.00 0.00 55.73 53.62 1ugk s ARG 129 Cb 0.00 0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.50 1ugk s ARG 129 CO -0.01 -0.02 0.25 -1.83 -0.68 0.00 0.00 175.30 173.01 1ugk s GLU 130 N -0.93 3.61 -0.31 3.54 -1.05 -1.26 0.17 118.70 122.47 1ugk s GLU 130 Ca -0.10 0.03 -0.11 0.00 -0.15 0.00 0.00 54.97 54.64 1ugk s GLU 130 Cb -0.06 -3.16 -0.02 0.00 -0.44 0.00 0.00 34.13 30.44 1ugk s GLU 130 CO -0.01 0.71 0.19 0.42 0.95 0.00 0.00 175.26 177.53 1ugk s ILE 131 N -1.13 5.04 0.11 1.83 1.09 0.10 -4.81 121.20 123.43 1ugk s ILE 131 Ca 0.21 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.60 1ugk s ILE 131 Cb -0.14 -3.52 -0.00 0.00 -1.06 0.00 0.00 42.46 37.74 1ugk s ILE 131 CO 0.10 0.10 0.02 2.30 -0.10 0.00 0.00 174.94 177.36 1ugk n ILE 132 N 5.05 0.00 -2.31 2.92 -6.64 -1.26 -2.88 119.36 114.23 1ugk n ILE 132 Ca -0.14 -0.57 -0.43 0.00 -1.77 0.00 0.00 62.75 59.85 1ugk n ILE 132 Cb 0.50 0.15 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -1.46 4.84 -1.27 7.28 2.88 -1.26 -3.98 113.62 120.65 1ugk n SER 133 Ca -0.03 -3.02 0.04 0.00 -1.33 0.00 0.00 58.87 54.52 1ugk n SER 133 Cb 0.15 -1.55 -0.02 0.00 -0.75 0.00 0.00 64.21 62.04 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 3.43 -3.70 0.14 0.46 0.00 -1.26 -4.83 105.19 99.42 1ugk n GLY 134 Ca 0.43 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 1ugk n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugk h PRO 135 N -0.20 -0.22 -1.98 1.61 0.13 -1.90 -3.44 132.00 125.99 1ugk h PRO 135 Ca -0.04 0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.74 1ugk h PRO 135 Cb 0.89 0.05 -0.31 0.00 0.13 0.00 0.00 31.00 31.76 1ugk h PRO 135 CO 0.02 0.09 -0.68 -1.54 -0.23 0.00 0.00 178.00 175.67 1ugk s SER 136 N -5.42 1.25 0.08 1.44 1.04 -1.26 -5.14 113.70 105.69 1ugk s SER 136 Ca -0.09 -1.42 0.01 0.00 0.48 0.00 0.00 55.95 54.93 1ugk s SER 136 Cb 0.00 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1ugk s SER 136 CO 0.32 -0.28 -0.06 -0.94 0.98 0.00 0.00 173.24 173.26 1ugk s SER 137 N 1.61 0.97 0.00 7.02 1.04 -1.26 -5.28 113.70 117.79 1ugk s SER 137 Ca 0.15 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1ugk s SER 137 Cb -0.15 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1ugk s SER 137 CO -0.09 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.26