#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk s SER 2 N 0.00 -0.16 0.11 1.61 0.15 -1.26 -5.19 113.70 108.96 1ugk s SER 2 Ca 0.00 0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 1ugk s SER 2 Cb 0.00 0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.53 1ugk s SER 2 CO 0.00 -0.19 0.91 -0.94 1.20 0.00 0.00 173.24 174.21 1ugk s SER 3 N -1.55 -0.26 -1.32 5.45 1.04 -1.26 -5.07 113.70 110.73 1ugk s SER 3 Ca 0.07 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 1ugk s SER 3 Cb -0.01 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.69 1ugk s SER 3 CO -0.04 -0.83 1.84 0.61 0.98 0.00 0.00 173.24 175.80 1ugk n GLY 4 N -0.39 3.81 3.16 7.32 0.00 -1.26 -4.89 105.19 112.94 1ugk n GLY 4 Ca -0.07 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1ugk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugk s SER 5 N 2.79 -0.01 -0.60 1.61 0.01 -1.26 -5.11 113.70 111.12 1ugk s SER 5 Ca 0.46 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.50 1ugk s SER 5 Cb 0.07 0.26 0.15 0.00 0.21 0.00 0.00 66.02 66.71 1ugk s SER 5 CO -0.00 -0.47 0.39 -0.55 0.41 0.00 0.00 173.24 173.02 1ugk s SER 6 N -1.69 4.85 0.00 2.44 0.15 -1.26 -4.97 113.70 113.22 1ugk s SER 6 Ca -0.10 -3.06 0.00 0.00 0.70 0.00 0.00 55.95 53.49 1ugk s SER 6 Cb -0.04 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1ugk s SER 6 CO -0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ugk n GLY 7 N 3.13 0.18 0.00 9.45 0.00 -1.26 -5.02 105.19 111.67 1ugk n GLY 7 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.20 0.01 0.00 0.99 7.99 -1.13 -4.99 117.00 119.67 1ugk n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ugk n LEU 8 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ugk n LEU 8 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1ugk n GLY 9 N 1.25 2.21 3.53 -0.72 0.00 0.11 -4.26 105.19 107.31 1ugk n GLY 9 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.89 2.24 -0.01 2.61 2.01 0.49 0.72 115.64 120.80 1ugk s THR 10 Ca 0.00 -2.22 0.04 0.00 0.31 0.00 0.00 61.69 59.82 1ugk s THR 10 Cb 0.00 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1ugk s THR 10 CO 0.00 -0.22 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.37 1ugk s LEU 11 N -3.59 2.01 0.00 4.42 2.96 0.22 -1.86 118.68 122.84 1ugk s LEU 11 Ca 0.32 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1ugk s LEU 11 Cb 0.02 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.08 1ugk s LEU 11 CO 0.16 0.14 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.75 1ugk s PHE 12 N -0.25 1.94 -0.02 5.38 0.08 -0.86 -0.39 117.98 123.86 1ugk s PHE 12 Ca 0.04 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 1ugk s PHE 12 Cb -0.05 -1.22 0.11 0.00 -0.57 0.00 0.00 43.02 41.29 1ugk s PHE 12 CO -0.00 0.01 1.00 -0.59 -0.10 0.00 0.00 175.22 175.54 1ugk s PHE 13 N -0.61 -0.24 -0.07 0.36 -0.71 -0.30 -1.57 117.98 114.83 1ugk s PHE 13 Ca 0.08 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 1ugk s PHE 13 Cb -0.09 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.30 1ugk s PHE 13 CO 0.00 -0.50 -0.05 -1.54 -1.34 0.00 0.00 175.22 171.80 1ugk s SER 14 N -2.53 1.53 0.10 1.98 1.04 -1.03 -0.26 113.70 114.53 1ugk s SER 14 Ca 0.08 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.13 1ugk s SER 14 Cb -0.01 -0.58 -0.07 0.00 0.10 0.00 0.00 66.02 65.46 1ugk s SER 14 CO -0.06 -0.10 0.62 -0.76 0.98 0.00 0.00 173.24 173.92 1ugk s LEU 15 N 1.40 4.54 -0.21 2.42 1.43 -1.15 -1.98 118.68 125.12 1ugk s LEU 15 Ca -0.03 1.36 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 1ugk s LEU 15 Cb -0.13 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.16 1ugk s LEU 15 CO -0.03 0.25 0.42 -0.70 0.23 0.00 0.00 176.35 176.51 1ugk s GLU 16 N -1.17 0.33 -0.17 1.70 2.12 0.17 -3.36 118.70 118.33 1ugk s GLU 16 Ca 0.31 0.95 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 1ugk s GLU 16 Cb -0.20 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1ugk s GLU 16 CO 0.21 -0.33 0.06 -0.47 -0.54 0.00 0.00 175.26 174.19 1ugk s TYR 17 N 2.61 3.26 -0.17 5.30 6.14 -1.26 0.20 117.35 133.43 1ugk s TYR 17 Ca 0.01 0.11 -0.29 0.00 0.64 0.00 0.00 57.07 57.54 1ugk s TYR 17 Cb -0.13 -2.03 -0.00 0.00 0.42 0.00 0.00 41.96 40.22 1ugk s TYR 17 CO -0.13 0.23 1.04 1.21 0.64 0.00 0.00 175.55 178.54 1ugk s ASN 18 N 0.11 7.15 -0.06 4.32 3.84 0.40 -4.30 114.94 126.40 1ugk s ASN 18 Ca 0.05 1.47 0.07 0.00 0.21 0.00 0.00 52.86 54.66 1ugk s ASN 18 Cb -0.12 -2.55 -0.24 0.00 -0.55 0.00 0.00 41.25 37.79 1ugk s ASN 18 CO 0.01 -0.58 0.61 -0.26 -2.79 0.00 0.00 177.10 174.09 1ugk h PHE 19 N 7.34 0.14 -0.63 0.43 -1.00 -1.93 1.57 116.94 122.87 1ugk h PHE 19 Ca -0.25 -0.10 0.05 0.00 2.81 0.00 0.00 57.97 60.48 1ugk h PHE 19 Cb 1.10 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 1ugk h PHE 19 CO 0.74 1.21 0.36 1.49 -1.61 0.00 0.00 178.31 180.50 1ugk h GLU 20 N 0.02 0.66 -0.08 1.51 4.57 -1.96 -2.70 114.58 116.60 1ugk h GLU 20 Ca -0.31 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1ugk h GLU 20 Cb 2.01 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.45 1ugk h GLU 20 CO 0.09 0.43 -0.13 0.54 -1.18 0.00 0.00 179.01 178.76 1ugk n ARG 21 N -4.78 1.66 -3.90 1.92 1.74 -1.26 -4.99 116.66 107.05 1ugk n ARG 21 Ca 0.07 -2.87 -0.34 0.00 -0.77 0.00 0.00 57.85 53.95 1ugk n ARG 21 Cb 0.14 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.19 -0.63 -4.65 5.56 4.01 -0.39 -4.78 118.16 116.10 1ugk n LYS 22 Ca 0.19 0.16 -0.29 0.00 -0.51 0.00 0.00 58.31 57.86 1ugk n LYS 22 Cb 0.73 -1.84 -0.10 0.00 -0.51 0.00 0.00 35.03 33.31 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ugk s ALA 23 N -3.48 3.38 -0.12 7.82 0.00 0.52 -3.82 121.76 126.06 1ugk s ALA 23 Ca 0.28 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1ugk s ALA 23 Cb -0.16 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1ugk s ALA 23 CO 0.79 -0.10 -0.13 0.12 0.00 0.00 0.00 175.76 176.43 1ugk s PHE 24 N -2.78 1.91 -0.22 0.00 5.36 0.20 0.15 117.98 122.61 1ugk s PHE 24 Ca 0.28 -0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 55.28 1ugk s PHE 24 Cb 0.08 -1.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1ugk s PHE 24 CO 0.14 -0.53 -0.10 0.08 -1.46 0.00 0.00 175.22 173.36 1ugk s VAL 25 N 1.23 2.76 -0.64 3.12 1.01 0.54 -0.70 120.40 127.72 1ugk s VAL 25 Ca -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1ugk s VAL 25 Cb -0.14 -2.31 0.17 0.00 0.00 0.00 0.00 36.38 34.10 1ugk s VAL 25 CO -0.05 0.35 0.47 -0.69 0.00 0.00 0.00 175.10 175.18 1ugk s VAL 26 N 1.35 3.83 0.22 2.92 1.01 -0.67 0.41 120.40 129.47 1ugk s VAL 26 Ca 0.03 -2.97 -0.30 0.00 0.00 0.00 0.00 61.98 58.74 1ugk s VAL 26 Cb -0.15 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1ugk s VAL 26 CO -0.07 -0.89 1.17 0.21 0.00 0.00 0.00 175.10 175.52 1ugk s ASN 27 N 0.72 7.13 -0.38 3.32 3.84 -0.84 -3.54 114.94 125.20 1ugk s ASN 27 Ca 0.17 2.26 -0.02 0.00 0.21 0.00 0.00 52.86 55.48 1ugk s ASN 27 Cb -0.19 -2.61 0.10 0.00 -0.55 0.00 0.00 41.25 37.99 1ugk s ASN 27 CO -0.04 -0.31 0.15 -0.63 -2.79 0.00 0.00 177.10 173.49 1ugk s ILE 28 N -0.43 3.15 0.00 -5.21 1.01 -0.48 -2.48 121.20 116.76 1ugk s ILE 28 Ca 0.50 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1ugk s ILE 28 Cb -0.33 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1ugk s ILE 28 CO 0.39 -0.58 0.00 1.17 0.00 0.00 0.00 174.94 175.92 1ugk n LYS 29 N 4.57 1.60 -4.21 2.79 3.00 -0.61 0.80 118.16 126.10 1ugk n LYS 29 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.01 1ugk n LYS 29 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 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 2.22 0.00 1.64 -1.05 -1.23 -1.00 118.70 119.28 1ugk s GLU 30 Ca 0.00 -2.01 0.06 0.00 -0.15 0.00 0.00 54.97 52.86 1ugk s GLU 30 Cb 0.00 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1ugk s GLU 30 CO 0.00 -0.30 -0.18 0.00 0.95 0.00 0.00 175.26 175.73 1ugk s ALA 31 N -2.71 1.48 -0.03 -0.84 0.00 -0.82 -2.03 121.76 116.82 1ugk s ALA 31 Ca 0.32 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ugk s ALA 31 Cb 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1ugk s ALA 31 CO 0.18 0.35 -0.06 1.03 0.00 0.00 0.00 175.76 177.26 1ugk s ARG 32 N -0.63 0.72 0.00 0.00 0.52 -0.78 -3.64 118.95 115.14 1ugk s ARG 32 Ca 0.06 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1ugk s ARG 32 Cb -0.07 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.69 1ugk s ARG 32 CO -0.00 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1ugk n GLY 33 N 3.52 0.70 3.38 -3.53 0.00 -1.26 0.19 105.19 108.18 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 3.74 0.06 0.99 1.02 -1.17 -0.71 118.68 122.62 1ugk s LEU 34 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 54.13 53.29 1ugk s LEU 34 Cb 0.00 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.26 1ugk s LEU 34 CO 0.00 -0.15 1.16 -2.16 0.02 0.00 0.00 176.35 175.22 1ugk s PRO 35 N 1.54 4.46 0.50 1.29 0.04 -1.26 -4.70 135.00 136.87 1ugk s PRO 35 Ca 0.04 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1ugk s PRO 35 Cb -0.17 -3.35 -0.14 0.00 0.04 0.00 0.00 34.50 30.88 1ugk s PRO 35 CO 0.03 -0.20 -0.06 0.00 0.04 0.00 0.00 177.00 176.81 1ugk n ALA 36 N 3.78 -2.88 0.00 8.56 0.00 -1.26 -4.92 120.51 123.78 1ugk n ALA 36 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ugk n ALA 36 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.36 0.08 -3.52 0.00 2.81 -1.26 -5.02 117.12 111.56 1ugk n MET 37 Ca 0.08 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.71 1ugk n MET 37 Cb 0.47 -0.91 -0.03 0.00 -0.71 0.00 0.00 33.22 32.04 1ugk n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ugk s ASP 38 N -3.80 6.38 -0.77 7.83 2.15 -1.26 -5.04 116.67 122.16 1ugk s ASP 38 Ca 0.00 0.49 0.03 0.00 0.43 0.00 0.00 52.55 53.49 1ugk s ASP 38 Cb 0.00 -2.05 0.30 0.00 -0.30 0.00 0.00 42.92 40.88 1ugk s ASP 38 CO 0.00 -0.15 1.15 -0.62 -0.17 0.00 0.00 175.17 175.37 1ugk n GLU 39 N -1.07 3.66 0.03 4.34 -0.58 -1.26 -4.30 120.64 121.46 1ugk n GLU 39 Ca -0.04 -4.72 0.00 0.00 -0.42 0.00 0.00 57.16 51.98 1ugk n GLU 39 Cb 0.55 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ugk n GLN 40 N 0.41 0.00 -2.63 3.49 1.13 -1.26 -4.92 117.38 113.59 1ugk n GLN 40 Ca 0.33 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.32 1ugk n GLN 40 Cb 0.36 -0.28 0.04 0.00 0.11 0.00 0.00 30.24 30.48 1ugk n GLN 40 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ugk n SER 41 N -3.08 2.40 -3.94 1.08 2.88 -1.26 -4.97 113.62 106.73 1ugk n SER 41 Ca 0.00 -2.48 -0.26 0.00 -1.33 0.00 0.00 58.87 54.80 1ugk n SER 41 Cb 0.00 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ugk n MET 42 N -0.60 -3.63 -3.48 -1.46 1.56 -1.26 -4.95 117.12 103.29 1ugk n MET 42 Ca 0.16 0.44 -0.14 0.00 -0.27 0.00 0.00 57.70 57.89 1ugk n MET 42 Cb 0.84 -4.72 -0.04 0.00 2.15 0.00 0.00 33.22 31.45 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N -3.83 0.00 0.31 1.12 -1.32 -1.26 -4.91 115.64 105.75 1ugk s THR 43 Ca 0.10 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 1ugk s THR 43 Cb -0.05 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1ugk s THR 43 CO 0.88 0.00 0.25 -0.94 -2.21 0.00 0.00 174.62 172.60 1ugk s SER 44 N -1.93 1.46 -0.76 8.08 1.04 -1.26 -4.15 113.70 116.19 1ugk s SER 44 Ca -0.04 -1.70 0.03 0.00 0.48 0.00 0.00 55.95 54.72 1ugk s SER 44 Cb -0.01 0.52 0.22 0.00 0.10 0.00 0.00 66.02 66.86 1ugk s SER 44 CO -0.01 -1.02 0.72 0.47 0.98 0.00 0.00 173.24 174.38 1ugk n ASP 45 N -1.33 3.81 -4.81 7.02 9.92 -1.22 -0.94 116.55 129.00 1ugk n ASP 45 Ca 0.06 -3.29 -0.33 0.00 -0.53 0.00 0.00 54.79 50.70 1ugk n ASP 45 Cb 0.63 -0.83 -0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ugk s PRO 46 N -1.91 3.48 -0.17 -0.24 0.04 -1.26 -1.33 135.00 133.61 1ugk s PRO 46 Ca 0.31 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1ugk s PRO 46 Cb 0.02 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.56 1ugk s PRO 46 CO -0.09 -0.68 0.44 1.52 0.04 0.00 0.00 177.00 178.24 1ugk s TYR 47 N -2.39 -0.53 -0.15 0.56 1.13 -1.24 -3.78 117.35 110.94 1ugk s TYR 47 Ca 0.64 1.24 -0.17 0.00 -1.41 0.00 0.00 57.07 57.36 1ugk s TYR 47 Cb -0.15 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 1ugk s TYR 47 CO 0.33 -0.27 0.45 0.42 -2.51 0.00 0.00 175.55 173.97 1ugk s ILE 48 N 0.57 5.19 -0.21 -3.49 1.01 -1.26 -2.91 121.20 120.11 1ugk s ILE 48 Ca -0.03 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1ugk s ILE 48 Cb -0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1ugk s ILE 48 CO -0.03 0.30 0.35 -0.54 0.00 0.00 0.00 174.94 175.02 1ugk s LYS 49 N 0.87 4.15 -0.12 2.79 1.02 -0.58 -3.56 119.74 124.31 1ugk s LYS 49 Ca 0.23 0.10 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 1ugk s LYS 49 Cb -0.15 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 1ugk s LYS 49 CO 0.09 -0.03 0.28 1.41 -0.92 0.00 0.00 175.35 176.18 1ugk s MET 50 N 1.29 4.00 -0.14 1.68 -2.45 0.81 -2.39 119.30 122.10 1ugk s MET 50 Ca 0.17 0.10 -0.06 0.00 -1.25 0.00 0.00 55.69 54.65 1ugk s MET 50 Cb -0.15 -3.33 0.06 0.00 1.25 0.00 0.00 34.83 32.67 1ugk s MET 50 CO 0.07 0.46 0.30 0.99 1.05 0.00 0.00 175.02 177.89 1ugk s THR 51 N -0.21 -0.23 -0.90 10.11 2.01 -1.17 -1.65 115.64 123.61 1ugk s THR 51 Ca 0.17 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1ugk s THR 51 Cb -0.13 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 71.95 1ugk s THR 51 CO 0.06 0.08 1.34 -0.63 -0.69 0.00 0.00 174.62 174.77 1ugk s ILE 52 N 1.83 3.96 0.47 1.82 1.01 -1.18 -0.69 121.20 128.41 1ugk s ILE 52 Ca -0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1ugk s ILE 52 Cb -0.11 -4.97 -0.04 0.00 0.01 0.00 0.00 42.46 37.35 1ugk s ILE 52 CO -0.10 -1.84 0.80 -0.76 0.00 0.00 0.00 174.94 173.04 1ugk s LEU 53 N 4.93 3.66 0.49 2.97 1.43 0.51 0.21 118.68 132.88 1ugk s LEU 53 Ca 0.40 1.02 0.28 0.00 -1.03 0.00 0.00 54.13 54.80 1ugk s LEU 53 Cb -0.04 -3.96 0.87 0.00 0.03 0.00 0.00 46.19 43.09 1ugk s LEU 53 CO -0.01 -0.54 1.80 1.55 0.23 0.00 0.00 176.35 179.38 1ugk h PRO 54 N 0.49 0.00 -0.04 1.29 0.13 -1.82 1.38 132.00 133.44 1ugk h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.62 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.76 1ugk n GLU 55 N -3.08 -0.02 -0.99 0.86 1.02 -0.97 -4.72 120.64 112.75 1ugk n GLU 55 Ca 0.02 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1ugk n GLU 55 Cb 0.41 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 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 -2.59 -0.01 0.00 3.49 4.81 0.56 -4.93 118.16 119.48 1ugk n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ugk n LYS 56 Cb 0.01 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.38 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 -2.20 0.00 -1.53 1.64 4.76 -1.26 -4.49 118.16 115.08 1ugk n LYS 57 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1ugk n LYS 57 Cb 0.00 -0.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.52 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 -0.32 0.70 -4.26 2.13 8.25 -1.26 -4.86 115.22 115.60 1ugk n HIS 58 Ca 0.00 0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.18 1ugk n HIS 58 Cb 0.00 -1.82 -0.11 0.00 1.12 0.00 0.00 29.99 29.18 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 8.15 3.77 0.02 -0.41 1.02 -1.26 -3.12 119.74 127.90 1ugk s LYS 59 Ca 1.14 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 56.66 1ugk s LYS 59 Cb -0.55 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1ugk s LYS 59 CO 0.34 0.24 -0.00 0.14 -0.92 0.00 0.00 175.35 175.15 1ugk s VAL 60 N 0.39 0.10 0.32 3.17 -7.23 -0.66 -5.04 120.40 111.46 1ugk s VAL 60 Ca -0.02 -0.82 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1ugk s VAL 60 Cb -0.14 -0.27 -0.06 0.00 0.56 0.00 0.00 36.38 36.47 1ugk s VAL 60 CO 0.02 -0.45 0.02 -1.59 -0.31 0.00 0.00 175.10 172.79 1ugk s LYS 61 N -1.35 1.66 0.87 4.82 -2.85 -1.26 -0.14 119.74 121.49 1ugk s LYS 61 Ca -0.15 -1.90 -0.10 0.00 -1.00 0.00 0.00 55.97 52.82 1ugk s LYS 61 Cb -0.09 -1.05 0.17 0.00 -2.06 0.00 0.00 37.83 34.80 1ugk s LYS 61 CO -0.01 -0.10 1.19 0.95 0.10 0.00 0.00 175.35 177.48 1ugk s THR 62 N -3.14 2.04 -2.00 3.79 -4.23 -1.23 -4.93 115.64 105.94 1ugk s THR 62 Ca 0.34 -0.25 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1ugk s THR 62 Cb 0.08 -2.80 0.40 0.00 1.34 0.00 0.00 72.50 71.52 1ugk s THR 62 CO 0.15 0.00 1.37 -1.14 -0.54 0.00 0.00 174.62 174.45 1ugk n ARG 63 N -3.40 0.75 -2.84 3.99 0.63 -1.26 -4.93 116.66 109.60 1ugk n ARG 63 Ca 0.15 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.06 1ugk n ARG 63 Cb 0.60 -1.30 -0.02 0.00 0.45 0.00 0.00 32.46 32.19 1ugk n ARG 63 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ugk n VAL 64 N -0.80 -7.58 -0.68 5.15 0.31 -1.26 -4.90 118.33 108.57 1ugk n VAL 64 Ca 0.11 1.50 -0.30 0.00 -0.01 0.00 0.00 64.34 65.63 1ugk n VAL 64 Cb 0.05 -4.81 0.19 0.00 -0.91 0.00 0.00 33.84 28.36 1ugk n VAL 64 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ugk s LEU 65 N -0.54 2.18 -0.31 7.52 2.01 -1.25 -5.00 118.68 123.29 1ugk s LEU 65 Ca -0.13 1.94 -0.00 0.00 0.01 0.00 0.00 54.13 55.94 1ugk s LEU 65 Cb 0.01 -4.18 0.06 0.00 0.01 0.00 0.00 46.19 42.09 1ugk s LEU 65 CO 0.44 -3.42 0.01 -0.13 1.01 0.00 0.00 176.35 174.25 1ugk s ARG 66 N -4.60 2.26 -0.06 1.70 1.81 -1.26 -4.48 118.95 114.30 1ugk s ARG 66 Ca 0.67 -1.40 -0.05 0.00 -1.72 0.00 0.00 55.73 53.23 1ugk s ARG 66 Cb -0.23 -3.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.11 1ugk s ARG 66 CO 0.60 -0.69 0.10 1.63 -0.68 0.00 0.00 175.30 176.26 1ugk n LYS 67 N 4.55 -4.27 0.00 3.54 5.02 -1.06 -4.98 118.16 120.96 1ugk n LYS 67 Ca -0.10 3.16 0.00 0.00 -2.02 0.00 0.00 58.31 59.35 1ugk n LYS 67 Cb 0.43 -4.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.21 1ugk n LYS 67 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ugk n THR 68 N 1.88 0.00 1.06 -0.18 5.66 -0.11 -4.89 114.28 117.70 1ugk n THR 68 Ca -0.17 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 60.94 1ugk n THR 68 Cb 0.26 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.59 1ugk n THR 68 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ugk n LEU 69 N 0.00 0.00 -3.16 1.09 7.99 -1.26 -3.58 117.00 118.07 1ugk n LEU 69 Ca 0.00 0.26 -0.22 0.00 -0.01 0.00 0.00 56.01 56.04 1ugk n LEU 69 Cb 0.00 -0.26 -0.06 0.00 -0.11 0.00 0.00 43.42 43.00 1ugk n LEU 69 CO 0.00 -0.07 -0.26 0.47 -1.51 0.00 0.00 177.39 176.02 1ugk n ASP 70 N -1.26 0.09 -4.81 -1.43 8.00 -1.26 -3.02 116.55 112.86 1ugk n ASP 70 Ca 0.11 -2.78 -0.32 0.00 0.71 0.00 0.00 54.79 52.50 1ugk n ASP 70 Cb 0.16 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1ugk n ASP 70 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ugk s PRO 71 N -1.26 3.34 -0.29 -0.24 0.04 -1.24 -4.87 135.00 130.49 1ugk s PRO 71 Ca 0.35 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ugk s PRO 71 Cb 0.20 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.79 1ugk s PRO 71 CO -0.11 -0.78 0.07 0.00 0.04 0.00 0.00 177.00 176.21 1ugk s ALA 72 N -2.54 1.69 -0.09 8.56 0.00 -1.26 -1.95 121.76 126.16 1ugk s ALA 72 Ca 0.62 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 1ugk s ALA 72 Cb -0.15 -1.60 -0.28 0.00 0.00 0.00 0.00 23.12 21.09 1ugk s ALA 72 CO 0.38 -1.57 0.72 0.74 0.00 0.00 0.00 175.76 176.03 1ugk h PHE 73 N 8.03 0.38 -7.11 0.00 0.04 -1.74 -3.48 116.94 113.06 1ugk h PHE 73 Ca -0.13 -0.28 -0.62 0.00 2.80 0.00 0.00 57.97 59.75 1ugk h PHE 73 Cb 1.03 -0.02 -0.31 0.00 2.20 0.00 0.00 35.95 38.85 1ugk h PHE 73 CO 0.38 1.35 -0.92 -3.47 -0.60 0.00 0.00 178.31 175.05 1ugk n ASP 74 N -4.17 -1.16 -3.33 2.17 -0.08 0.24 -4.90 116.55 105.33 1ugk n ASP 74 Ca -0.18 -1.23 -0.16 0.00 -1.51 0.00 0.00 54.79 51.71 1ugk n ASP 74 Cb 0.78 -1.75 0.10 0.00 2.34 0.00 0.00 41.12 42.59 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ugk n GLU 75 N -4.25 -0.36 -3.65 -0.67 -0.58 -0.17 -4.80 120.64 106.16 1ugk n GLU 75 Ca -0.02 -1.43 -0.08 0.00 -0.42 0.00 0.00 57.16 55.22 1ugk n GLU 75 Cb 0.53 -0.64 -0.08 0.00 -0.57 0.00 0.00 31.44 30.68 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 -2.33 -0.03 -0.12 2.62 2.01 -1.26 -1.38 115.64 115.15 1ugk s THR 76 Ca 0.43 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.46 1ugk s THR 76 Cb -0.02 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.60 1ugk s THR 76 CO 0.30 0.01 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.75 1ugk s PHE 77 N 1.62 1.90 0.26 4.92 0.08 -1.23 -4.98 117.98 120.55 1ugk s PHE 77 Ca -0.10 -0.98 0.02 0.00 0.12 0.00 0.00 56.93 55.99 1ugk s PHE 77 Cb -0.06 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1ugk s PHE 77 CO -0.18 -0.56 0.42 0.99 -0.10 0.00 0.00 175.22 175.79 1ugk s THR 78 N 1.37 5.20 -0.22 0.64 2.01 -1.26 -1.67 115.64 121.71 1ugk s THR 78 Ca 0.01 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1ugk s THR 78 Cb -0.13 -3.82 0.07 0.00 0.01 0.00 0.00 72.50 68.62 1ugk s THR 78 CO -0.07 -0.35 0.56 -0.36 -0.69 0.00 0.00 174.62 173.71 1ugk s PHE 79 N -2.04 -0.80 -0.08 4.92 0.08 0.12 -4.92 117.98 115.26 1ugk s PHE 79 Ca 0.37 1.69 0.00 0.00 0.12 0.00 0.00 56.93 59.11 1ugk s PHE 79 Cb -0.10 0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.74 1ugk s PHE 79 CO 0.31 -0.41 -0.06 0.71 -0.10 0.00 0.00 175.22 175.66 1ugk s TYR 80 N 1.30 2.95 0.00 0.36 2.02 -1.26 0.62 117.35 123.34 1ugk s TYR 80 Ca -0.08 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1ugk s TYR 80 Cb -0.06 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1ugk s TYR 80 CO -0.13 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 1ugk n GLY 81 N 2.44 1.69 3.64 0.71 0.00 -1.25 -5.04 105.19 107.38 1ugk n GLY 81 Ca -0.18 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.30 3.23 -1.14 -0.61 1.01 -1.26 -4.81 121.20 117.31 1ugk s ILE 82 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1ugk s ILE 82 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1ugk s ILE 82 CO 0.00 -0.08 0.43 -0.81 0.00 0.00 0.00 174.94 174.48 1ugk n PRO 83 N 7.86 0.75 0.00 2.79 -0.04 -1.26 -4.64 135.00 140.46 1ugk n PRO 83 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ugk n PRO 83 Cb 0.43 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.26 0.54 9.36 -1.26 -4.20 117.16 121.89 1ugk n TYR 84 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 1ugk n TYR 84 Cb 0.16 0.00 0.77 0.00 -0.63 0.00 0.00 39.34 39.64 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 1.16 112.91 116.39 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 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1ugk h THR 85 CO 0.00 0.00 -0.54 1.67 -0.25 0.00 0.00 175.52 176.40 1ugk n GLN 86 N -2.61 0.10 -0.20 4.72 7.27 -1.26 -3.97 117.38 121.43 1ugk n GLN 86 Ca -0.02 0.02 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 1ugk n GLN 86 Cb 0.22 -1.56 0.09 0.00 2.41 0.00 0.00 30.24 31.39 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 0.91 0.00 1.69 1.08 0.11 0.44 117.51 121.74 1ugk h ILE 87 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1ugk h ILE 87 Cb 0.58 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1ugk h ILE 87 CO 0.00 0.10 0.00 0.00 -0.69 0.00 0.00 178.15 177.56 1ugk n GLN 88 N -4.88 0.10 -0.33 2.37 6.02 -1.25 0.62 117.38 120.03 1ugk n GLN 88 Ca 0.07 0.59 0.09 0.00 -0.01 0.00 0.00 57.00 57.75 1ugk n GLN 88 Cb 0.19 -1.82 0.27 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.03 2.87 -3.39 -1.09 -0.58 0.15 -2.85 120.64 113.73 1ugk n GLU 89 Ca -0.01 -2.48 -0.21 0.00 -0.42 0.00 0.00 57.16 54.04 1ugk n GLU 89 Cb 0.03 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1ugk n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ugk n LEU 90 N 1.18 0.00 -3.33 -4.62 4.77 0.20 -4.12 117.00 111.09 1ugk n LEU 90 Ca 0.20 -2.34 0.03 0.00 -0.03 0.00 0.00 56.01 53.86 1ugk n LEU 90 Cb 0.58 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1ugk n LEU 90 CO 0.14 -0.53 0.85 0.00 -1.33 0.00 0.00 177.39 176.52 1ugk s ALA 91 N -2.65 -3.01 -0.37 -1.18 0.00 0.47 -2.88 121.76 112.15 1ugk s ALA 91 Ca 0.26 1.90 -0.26 0.00 0.00 0.00 0.00 51.96 53.86 1ugk s ALA 91 Cb -0.02 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1ugk s ALA 91 CO 0.17 -0.84 0.94 -0.51 0.00 0.00 0.00 175.76 175.53 1ugk s LEU 92 N 1.95 3.98 -0.52 0.00 2.01 -0.87 0.19 118.68 125.43 1ugk s LEU 92 Ca -0.02 0.61 -0.19 0.00 0.01 0.00 0.00 54.13 54.54 1ugk s LEU 92 Cb -0.02 -3.29 0.06 0.00 0.01 0.00 0.00 46.19 42.95 1ugk s LEU 92 CO -0.15 -0.87 0.64 -2.28 1.01 0.00 0.00 176.35 174.70 1ugk s HIS 93 N 3.52 3.04 -0.42 0.29 2.46 0.13 -1.57 115.29 122.73 1ugk s HIS 93 Ca 0.39 -0.56 -0.17 0.00 0.47 0.00 0.00 55.06 55.18 1ugk s HIS 93 Cb -0.12 -3.60 0.02 0.00 -0.13 0.00 0.00 32.58 28.76 1ugk s HIS 93 CO 0.19 -1.07 0.44 -0.06 -2.47 0.00 0.00 174.74 171.77 1ugk s PHE 94 N 2.68 3.17 -0.26 3.88 0.08 0.28 -3.01 117.98 124.79 1ugk s PHE 94 Ca 0.15 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.72 1ugk s PHE 94 Cb -0.19 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 1ugk s PHE 94 CO 0.12 -0.71 0.13 0.99 -0.10 0.00 0.00 175.22 175.65 1ugk s THR 95 N 2.14 4.84 -0.96 0.64 2.01 -1.01 -0.32 115.64 122.99 1ugk s THR 95 Ca 0.12 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1ugk s THR 95 Cb -0.17 -3.28 0.17 0.00 0.01 0.00 0.00 72.50 69.23 1ugk s THR 95 CO 0.13 0.30 1.07 -0.63 -0.69 0.00 0.00 174.62 174.80 1ugk s ILE 96 N 1.65 5.13 0.00 1.82 1.09 -1.10 -1.53 121.20 128.27 1ugk s ILE 96 Ca 0.07 -2.14 0.00 0.00 -1.10 0.00 0.00 60.65 57.48 1ugk s ILE 96 Cb -0.15 -4.70 0.00 0.00 -1.06 0.00 0.00 42.46 36.55 1ugk s ILE 96 CO 0.07 -1.36 0.00 0.18 -0.10 0.00 0.00 174.94 173.73 1ugk n LEU 97 N 5.37 0.00 -3.68 2.97 4.32 -1.14 0.94 117.00 125.77 1ugk n LEU 97 Ca 0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.08 1ugk n LEU 97 Cb 0.47 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.13 1ugk n LEU 97 CO 0.47 -0.12 -0.15 -0.94 -1.22 0.00 0.00 177.39 175.44 1ugk s SER 98 N -1.00 0.22 -0.17 -1.43 1.04 -0.85 -3.68 113.70 107.84 1ugk s SER 98 Ca 0.00 0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 1ugk s SER 98 Cb 0.00 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1ugk s SER 98 CO 0.00 -0.22 0.09 0.12 0.98 0.00 0.00 173.24 174.21 1ugk s PHE 99 N 2.07 3.35 0.00 5.02 2.19 -0.44 -3.71 117.98 126.45 1ugk s PHE 99 Ca -0.02 0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.48 1ugk s PHE 99 Cb -0.12 -2.05 0.00 0.00 -1.31 0.00 0.00 43.02 39.55 1ugk s PHE 99 CO -0.08 0.33 0.00 -0.25 1.83 0.00 0.00 175.22 177.05 1ugk n ASP 100 N 3.10 0.00 0.00 6.13 9.92 -1.26 -3.42 116.55 131.03 1ugk n ASP 100 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1ugk n ASP 100 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 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 -1.09 0.00 -0.09 -1.24 1.85 -1.26 -4.96 116.66 109.88 1ugk n ARG 101 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 1ugk n ARG 101 Cb 0.00 -0.19 -0.09 0.00 -1.05 0.00 0.00 32.46 31.14 1ugk n ARG 101 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1ugk h PHE 102 N 0.00 0.00 0.00 2.89 0.04 -2.01 -3.50 116.94 114.37 1ugk h PHE 102 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ugk h PHE 102 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ugk h PHE 102 CO 0.00 1.03 0.00 0.45 -0.60 0.00 0.00 178.31 179.19 1ugk n SER 103 N -4.50 -0.13 -3.50 2.17 2.88 -1.26 -5.08 113.62 104.19 1ugk n SER 103 Ca -0.23 0.19 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 1ugk n SER 103 Cb 0.54 0.31 0.02 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.09 -1.69 -2.14 -1.46 1.74 -1.26 -4.01 116.66 105.75 1ugk n ARG 104 Ca 0.00 1.11 -0.30 0.00 -0.77 0.00 0.00 57.85 57.89 1ugk n ARG 104 Cb 0.00 -1.95 -0.05 0.00 -1.02 0.00 0.00 32.46 29.44 1ugk n ARG 104 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ugk s ASP 105 N -1.93 5.29 -0.90 0.55 1.01 -1.26 -4.46 116.67 114.98 1ugk s ASP 105 Ca 0.24 -1.63 -0.15 0.00 0.71 0.00 0.00 52.55 51.71 1ugk s ASP 105 Cb -0.02 -2.58 0.19 0.00 1.01 0.00 0.00 42.92 41.51 1ugk s ASP 105 CO 0.84 -2.78 0.94 -1.81 0.21 0.00 0.00 175.17 172.57 1ugk s ASP 106 N 6.38 6.77 -0.26 0.27 1.01 -1.24 -4.91 116.67 124.68 1ugk s ASP 106 Ca 0.66 -2.54 -0.28 0.00 0.71 0.00 0.00 52.55 51.10 1ugk s ASP 106 Cb -0.01 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1ugk s ASP 106 CO 0.10 -0.73 1.93 -0.63 0.21 0.00 0.00 175.17 176.05 1ugk s ILE 107 N 1.01 3.32 0.07 0.77 1.01 -1.26 -2.00 121.20 124.12 1ugk s ILE 107 Ca 0.25 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.32 1ugk s ILE 107 Cb -0.08 -3.41 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 1ugk s ILE 107 CO -0.09 -0.24 1.31 0.40 0.00 0.00 0.00 174.94 176.33 1ugk h ILE 108 N 6.79 1.56 -2.09 2.92 2.04 0.31 -3.48 117.51 125.55 1ugk h ILE 108 Ca -0.37 -3.19 0.29 0.00 1.00 0.00 0.00 64.86 62.59 1ugk h ILE 108 Cb 1.19 2.76 -0.07 0.00 -0.74 0.00 0.00 36.82 39.97 1ugk h ILE 108 CO 1.00 0.89 0.79 -0.83 0.00 0.00 0.00 178.15 179.99 1ugk s GLY 109 N -4.66 -0.13 -0.05 5.37 0.00 -1.08 -4.69 107.32 102.08 1ugk s GLY 109 Ca 0.02 0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1ugk s GLY 109 CO 0.81 3.41 -0.10 -0.54 0.00 0.00 0.00 173.10 176.68 1ugk s GLU 110 N -2.20 1.32 0.06 2.90 2.02 -1.15 -2.70 118.70 118.94 1ugk s GLU 110 Ca 0.24 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 54.95 1ugk s GLU 110 Cb 0.00 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 1ugk s GLU 110 CO 0.00 0.05 -0.17 0.08 0.02 0.00 0.00 175.26 175.24 1ugk s VAL 111 N 0.53 1.38 -0.09 2.63 1.01 0.56 -4.39 120.40 122.03 1ugk s VAL 111 Ca -0.10 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 1ugk s VAL 111 Cb -0.13 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1ugk s VAL 111 CO 0.02 -0.00 0.25 -0.22 0.00 0.00 0.00 175.10 175.15 1ugk s LEU 112 N -1.42 1.03 -0.35 3.92 2.96 -1.26 -0.56 118.68 123.00 1ugk s LEU 112 Ca 0.03 0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1ugk s LEU 112 Cb -0.09 0.84 0.12 0.00 0.50 0.00 0.00 46.19 47.56 1ugk s LEU 112 CO 0.02 -0.09 0.17 -0.51 -1.32 0.00 0.00 176.35 174.62 1ugk s ILE 113 N 0.18 0.74 -0.15 6.68 1.10 -0.61 -4.99 121.20 124.16 1ugk s ILE 113 Ca -0.00 -1.73 -0.29 0.00 -0.51 0.00 0.00 60.65 58.11 1ugk s ILE 113 Cb -0.02 -1.55 -0.02 0.00 0.15 0.00 0.00 42.46 41.02 1ugk s ILE 113 CO -0.00 -0.82 1.27 -2.16 -2.11 0.00 0.00 174.94 171.12 1ugk s PRO 114 N 1.18 4.24 0.00 3.50 0.04 -1.26 -2.04 135.00 140.66 1ugk s PRO 114 Ca 0.14 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.07 1ugk s PRO 114 Cb -0.21 -3.75 1.26 0.00 0.04 0.00 0.00 34.50 31.85 1ugk s PRO 114 CO -0.13 -0.68 1.75 1.28 0.04 0.00 0.00 177.00 179.25 1ugk n LEU 115 N 6.46 0.00 -4.57 -3.56 4.77 -1.14 -4.67 117.00 114.29 1ugk n LEU 115 Ca 0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1ugk n LEU 115 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ugk n LEU 115 CO 0.56 0.00 1.18 -0.55 -1.33 0.00 0.00 177.39 177.25 1ugk s SER 116 N -1.77 3.76 0.00 -1.43 0.15 -1.13 0.25 113.70 113.54 1ugk s SER 116 Ca 0.32 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1ugk s SER 116 Cb 0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ugk s SER 116 CO 0.24 -4.13 0.00 0.61 1.20 0.00 0.00 173.24 171.17 1ugk n GLY 117 N 6.64 1.79 3.76 9.45 0.00 -1.26 -5.02 105.19 120.54 1ugk n GLY 117 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.60 2.67 -0.13 -0.61 -1.09 0.14 -5.02 121.20 115.55 1ugk s ILE 118 Ca 0.00 0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 1ugk s ILE 118 Cb 0.00 -3.19 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1ugk s ILE 118 CO 0.00 -0.07 -0.14 -1.83 -1.23 0.00 0.00 174.94 171.67 1ugk s GLU 119 N -3.17 2.24 -0.38 2.79 -1.05 -1.26 -4.81 118.70 113.06 1ugk s GLU 119 Ca 0.74 -0.55 0.07 0.00 -0.15 0.00 0.00 54.97 55.09 1ugk s GLU 119 Cb -0.31 -2.00 0.44 0.00 -0.44 0.00 0.00 34.13 31.82 1ugk s GLU 119 CO 0.35 -0.17 1.12 1.28 0.95 0.00 0.00 175.26 178.79 1ugk n LEU 120 N 4.54 4.38 -3.41 1.83 4.77 -1.26 -4.84 117.00 123.01 1ugk n LEU 120 Ca -0.18 -4.86 -0.33 0.00 -0.03 0.00 0.00 56.01 50.61 1ugk n LEU 120 Cb 0.50 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1ugk n LEU 120 CO 0.22 2.09 1.94 -0.24 -1.33 0.00 0.00 177.39 180.08 1ugk n SER 121 N -0.52 2.59 0.00 -1.43 2.88 -1.26 -3.84 113.62 112.03 1ugk n SER 121 Ca 0.37 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 1ugk n SER 121 Cb 0.77 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1ugk n SER 121 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ugk n GLU 122 N 6.22 -1.09 -3.74 -1.46 1.02 -1.26 -4.94 120.64 115.39 1ugk n GLU 122 Ca 0.42 0.27 -0.38 0.00 -0.02 0.00 0.00 57.16 57.46 1ugk n GLU 122 Cb 0.29 -4.26 -0.12 0.00 -0.02 0.00 0.00 31.44 27.33 1ugk n GLU 122 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ugk s GLY 123 N -2.00 1.82 -0.02 0.62 0.00 -1.25 -5.02 107.32 101.47 1ugk s GLY 123 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 1ugk s GLY 123 CO 0.00 0.70 1.02 1.25 0.00 0.00 0.00 173.10 176.08 1ugk s LYS 124 N 1.48 4.50 -0.03 2.90 2.20 -1.26 -4.60 119.74 124.93 1ugk s LYS 124 Ca 0.01 1.47 0.05 0.00 -0.36 0.00 0.00 55.97 57.14 1ugk s LYS 124 Cb -0.18 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1ugk s LYS 124 CO 0.03 -0.16 -0.18 0.00 -0.36 0.00 0.00 175.35 174.68 1ugk s MET 125 N 1.31 1.67 0.19 4.03 0.23 -1.21 -5.03 119.30 120.48 1ugk s MET 125 Ca 0.52 -0.65 -0.26 0.00 -1.03 0.00 0.00 55.69 54.27 1ugk s MET 125 Cb -0.22 -1.53 -0.08 0.00 -1.53 0.00 0.00 34.83 31.47 1ugk s MET 125 CO 0.26 0.34 0.81 -1.17 -2.03 0.00 0.00 175.02 173.22 1ugk s LEU 126 N -0.23 4.59 0.03 0.18 1.98 -1.26 -2.95 118.68 121.02 1ugk s LEU 126 Ca 0.02 1.70 -0.03 0.00 -2.89 0.00 0.00 54.13 52.94 1ugk s LEU 126 Cb -0.09 -3.38 -0.02 0.00 0.66 0.00 0.00 46.19 43.36 1ugk s LEU 126 CO 0.01 0.19 0.03 -0.04 -1.89 0.00 0.00 176.35 174.64 1ugk s MET 127 N -1.20 0.48 0.10 1.98 -1.94 0.64 -5.00 119.30 114.37 1ugk s MET 127 Ca 0.37 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 1ugk s MET 127 Cb -0.23 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.74 1ugk s MET 127 CO 0.27 -0.10 -0.05 0.54 -0.01 0.00 0.00 175.02 175.67 1ugk s ASN 128 N -1.99 1.03 -0.01 3.03 2.20 -1.26 -1.15 114.94 116.78 1ugk s ASN 128 Ca -0.07 -1.04 -0.09 0.00 -0.94 0.00 0.00 52.86 50.72 1ugk s ASN 128 Cb -0.03 0.12 0.01 0.00 -2.00 0.00 0.00 41.25 39.35 1ugk s ASN 128 CO -0.04 -0.51 0.19 -0.13 -2.94 0.00 0.00 177.10 173.67 1ugk s ARG 129 N -3.87 0.51 -0.08 3.55 1.81 0.47 -4.95 118.95 116.39 1ugk s ARG 129 Ca 0.13 -0.27 -0.11 0.00 -1.72 0.00 0.00 55.73 53.76 1ugk s ARG 129 Cb 0.06 0.22 -0.05 0.00 -0.45 0.00 0.00 34.95 34.73 1ugk s ARG 129 CO -0.04 -0.12 0.28 -1.83 -0.68 0.00 0.00 175.30 172.90 1ugk s GLU 130 N -1.20 3.80 -0.25 3.54 -1.05 -1.26 0.72 118.70 123.00 1ugk s GLU 130 Ca -0.13 0.13 -0.14 0.00 -0.15 0.00 0.00 54.97 54.68 1ugk s GLU 130 Cb -0.06 -3.25 -0.04 0.00 -0.44 0.00 0.00 34.13 30.33 1ugk s GLU 130 CO 0.02 0.63 0.32 0.42 0.95 0.00 0.00 175.26 177.61 1ugk s ILE 131 N -0.74 5.22 0.11 1.83 1.01 0.22 -4.81 121.20 124.05 1ugk s ILE 131 Ca 0.19 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.34 1ugk s ILE 131 Cb -0.14 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1ugk s ILE 131 CO 0.08 0.21 0.05 2.30 0.00 0.00 0.00 174.94 177.58 1ugk n ILE 132 N 4.86 0.00 -2.68 2.92 -6.64 -1.26 -2.82 119.36 113.73 1ugk n ILE 132 Ca -0.10 -0.67 -0.43 0.00 -1.77 0.00 0.00 62.75 59.77 1ugk n ILE 132 Cb 0.51 0.26 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 -2.06 5.05 -1.49 7.28 2.88 -1.26 -2.95 113.62 121.07 1ugk n SER 133 Ca -0.01 -2.98 0.14 0.00 -1.33 0.00 0.00 58.87 54.70 1ugk n SER 133 Cb 0.17 -1.60 -0.08 0.00 -0.75 0.00 0.00 64.21 61.95 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 4.17 -3.48 3.58 0.46 0.00 -1.26 -4.60 105.19 104.06 1ugk n GLY 134 Ca 0.41 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.59 3.29 -0.71 1.61 0.04 -1.26 -4.93 135.00 128.46 1ugk s PRO 135 Ca 0.00 0.61 -0.26 0.00 0.04 0.00 0.00 61.00 61.39 1ugk s PRO 135 Cb 0.00 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 1ugk s PRO 135 CO 0.00 -1.94 2.03 0.45 0.04 0.00 0.00 177.00 177.58 1ugk s SER 136 N 4.74 4.96 0.50 6.66 0.15 -1.26 -4.71 113.70 124.74 1ugk s SER 136 Ca 0.57 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1ugk s SER 136 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1ugk s SER 136 CO 0.26 -2.73 0.00 -0.24 1.20 0.00 0.00 173.24 171.73 1ugk n SER 137 N 14.25 -7.69 0.00 5.45 2.88 -1.26 -5.26 113.62 121.99 1ugk n SER 137 Ca 0.32 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1ugk n SER 137 Cb 0.50 -4.40 0.00 0.00 -0.75 0.00 0.00 64.21 59.56 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42