#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk s SER 2 N 0.00 -0.58 0.52 1.61 0.15 -1.26 -5.17 113.70 108.97 2dmk s SER 2 Ca 0.00 1.00 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 2dmk s SER 2 Cb 0.00 1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 65.38 2dmk s SER 2 CO 0.00 -0.16 0.98 -0.55 1.20 0.00 0.00 173.24 174.70 2dmk s SER 3 N 0.92 6.56 -0.49 5.45 0.15 -1.26 -5.04 113.70 120.00 2dmk s SER 3 Ca -0.04 1.52 0.07 0.00 0.70 0.00 0.00 55.95 58.20 2dmk s SER 3 Cb -0.04 -2.49 0.25 0.00 -1.71 0.00 0.00 66.02 62.02 2dmk s SER 3 CO -0.11 -0.61 0.60 0.61 1.20 0.00 0.00 173.24 174.93 2dmk n GLY 4 N -1.72 3.61 1.68 9.45 0.00 -1.26 -4.88 105.19 112.07 2dmk n GLY 4 Ca 0.06 -2.04 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 2dmk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmk n SER 5 N 1.23 2.72 -2.81 1.61 7.64 -1.26 -5.06 113.62 117.69 2dmk n SER 5 Ca 0.25 -3.19 -0.12 0.00 1.01 0.00 0.00 58.87 56.82 2dmk n SER 5 Cb 0.48 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2dmk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmk n SER 6 N -0.62 -1.56 -2.66 6.43 7.64 -1.26 -5.13 113.62 116.46 2dmk n SER 6 Ca 0.24 -2.68 -0.04 0.00 1.01 0.00 0.00 58.87 57.39 2dmk n SER 6 Cb 0.88 2.78 0.07 0.00 -1.01 0.00 0.00 64.21 66.94 2dmk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmk n GLY 7 N -0.53 -1.84 3.31 0.23 0.00 -1.26 -4.97 105.19 100.13 2dmk n GLY 7 Ca -0.02 1.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.83 2dmk n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dmk n GLU 8 N 1.63 -0.83 0.00 1.61 -0.00 -1.26 -3.14 120.64 118.65 2dmk n GLU 8 Ca 0.02 0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.26 2dmk n GLU 8 Cb 0.70 -2.79 0.00 0.00 -0.00 0.00 0.00 31.44 29.36 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dmk n GLY 9 N -0.84 0.92 3.49 -1.84 0.00 -1.26 -4.91 105.19 100.75 2dmk n GLY 9 Ca 0.07 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 2dmk n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 10 N 0.00 2.98 -0.52 0.99 2.01 -1.19 -5.01 118.68 117.93 2dmk s LEU 10 Ca 0.00 -0.16 -0.02 0.00 0.01 0.00 0.00 54.13 53.97 2dmk s LEU 10 Cb 0.00 -1.66 0.30 0.00 0.01 0.00 0.00 46.19 44.84 2dmk s LEU 10 CO 0.00 0.27 2.12 -0.90 1.01 0.00 0.00 176.35 178.85 2dmk n ASP 11 N 2.82 7.07 -4.14 2.29 5.68 -1.26 -5.00 116.55 124.01 2dmk n ASP 11 Ca -0.18 -3.44 -0.34 0.00 -0.50 0.00 0.00 54.79 50.33 2dmk n ASP 11 Cb 0.53 -1.05 0.12 0.00 -1.14 0.00 0.00 41.12 39.58 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dmk n TYR 12 N -0.18 -1.40 0.02 2.11 9.36 -1.26 -4.94 117.16 120.87 2dmk n TYR 12 Ca 0.48 0.33 -0.19 0.00 3.32 0.00 0.00 57.90 61.83 2dmk n TYR 12 Cb 0.58 -1.48 -0.14 0.00 -0.63 0.00 0.00 39.34 37.66 2dmk n TYR 12 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2dmk h LEU 13 N -1.72 0.40 -0.89 2.98 6.46 -2.01 -3.37 115.31 117.16 2dmk h LEU 13 Ca -0.47 -0.77 0.31 0.00 -0.12 0.00 0.00 57.88 56.83 2dmk h LEU 13 Cb 1.34 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 41.04 2dmk h LEU 13 CO 0.31 1.68 0.56 1.07 -0.62 0.00 0.00 178.44 181.44 2dmk n THR 14 N -3.44 -0.18 -3.81 1.05 5.66 -1.26 -4.06 114.28 108.24 2dmk n THR 14 Ca -0.27 1.20 -0.13 0.00 -3.05 0.00 0.00 64.05 61.81 2dmk n THR 14 Cb 1.05 -1.97 -0.14 0.00 -1.55 0.00 0.00 70.33 67.72 2dmk n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmk s ALA 15 N -4.71 -0.13 0.38 1.79 0.00 -1.26 -2.77 121.76 115.06 2dmk s ALA 15 Ca -0.05 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2dmk s ALA 15 Cb 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2dmk s ALA 15 CO 0.54 -0.07 1.20 -1.25 0.00 0.00 0.00 175.76 176.18 2dmk s PRO 16 N 0.45 4.13 0.43 0.00 0.04 -1.26 -4.65 135.00 134.14 2dmk s PRO 16 Ca -0.03 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2dmk s PRO 16 Cb -0.05 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 2dmk s PRO 16 CO -0.02 -0.28 1.45 -0.80 0.04 0.00 0.00 177.00 177.39 2dmk s ASN 17 N -0.98 6.01 -0.04 6.66 0.01 -1.26 -4.33 114.94 121.01 2dmk s ASN 17 Ca 0.55 2.97 -0.30 0.00 -0.71 0.00 0.00 52.86 55.37 2dmk s ASN 17 Cb -0.33 -2.66 -0.05 0.00 0.41 0.00 0.00 41.25 38.62 2dmk s ASN 17 CO 0.42 -1.09 1.48 -2.16 -1.51 0.00 0.00 177.10 174.23 2dmk s PRO 18 N -2.35 4.23 0.50 -0.60 0.04 -1.26 -4.82 135.00 130.75 2dmk s PRO 18 Ca 0.59 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.43 2dmk s PRO 18 Cb -0.45 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 2dmk s PRO 18 CO 0.59 -0.70 1.14 -1.25 0.04 0.00 0.00 177.00 176.82 2dmk s PRO 19 N 3.13 3.56 -0.27 0.56 0.04 -1.26 -4.95 135.00 135.80 2dmk s PRO 19 Ca 0.66 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 2dmk s PRO 19 Cb -0.31 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 2dmk s PRO 19 CO 0.26 -0.70 0.09 -1.12 0.04 0.00 0.00 177.00 175.57 2dmk s SER 20 N -1.58 5.22 -0.30 6.66 0.01 0.37 -4.71 113.70 119.37 2dmk s SER 20 Ca 0.68 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 2dmk s SER 20 Cb -0.26 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2dmk s SER 20 CO 0.30 -0.11 1.09 -0.63 0.41 0.00 0.00 173.24 174.30 2dmk s ILE 21 N 1.59 4.51 -0.19 1.44 1.01 -1.26 -0.06 121.20 128.25 2dmk s ILE 21 Ca 0.05 1.76 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 2dmk s ILE 21 Cb -0.16 -4.37 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 2dmk s ILE 21 CO 0.04 -0.41 0.76 -0.13 0.00 0.00 0.00 174.94 175.19 2dmk s ARG 22 N 3.59 4.25 0.24 2.79 1.81 0.77 -4.93 118.95 127.48 2dmk s ARG 22 Ca 0.46 0.86 0.22 0.00 -1.72 0.00 0.00 55.73 55.55 2dmk s ARG 22 Cb -0.13 -3.58 0.05 0.00 -0.45 0.00 0.00 34.95 30.84 2dmk s ARG 22 CO 0.14 -0.31 1.14 0.93 -0.68 0.00 0.00 175.30 176.51 2dmk h GLU 23 N 7.42 0.00 0.00 3.54 3.07 -1.91 -2.83 114.58 123.86 2dmk h GLU 23 Ca -0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 2dmk h GLU 23 Cb 1.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2dmk h GLU 23 CO 0.82 0.04 -0.21 1.05 -1.40 0.00 0.00 179.01 179.31 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.97 -3.29 114.58 115.77 2dmk h GLU 24 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 2dmk h GLU 24 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2dmk h GLU 24 CO 0.01 0.03 -2.13 1.28 0.07 0.00 0.00 179.01 178.27 2dmk n LEU 25 N -3.04 0.07 -4.73 3.06 4.77 -1.25 -4.94 117.00 110.94 2dmk n LEU 25 Ca 0.03 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 2dmk n LEU 25 Cb 0.55 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 2dmk n LEU 25 CO 0.35 0.23 0.82 0.00 -1.33 0.00 0.00 177.39 177.46 2dmk s THR 27 N -0.01 4.47 -0.05 0.00 -4.23 -0.54 -4.93 115.64 110.34 2dmk s THR 27 Ca 0.51 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2dmk s THR 27 Cb -0.30 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2dmk s THR 27 CO 0.34 -0.30 -0.15 0.00 -0.54 0.00 0.00 174.62 173.97 2dmk s ALA 28 N -2.05 1.41 0.12 3.99 0.00 -1.26 -1.83 121.76 122.13 2dmk s ALA 28 Ca 0.32 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2dmk s ALA 28 Cb -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2dmk s ALA 28 CO 0.25 0.22 -0.10 0.45 0.00 0.00 0.00 175.76 176.58 2dmk s SER 29 N 0.23 1.58 0.00 0.00 0.15 0.18 -4.40 113.70 111.44 2dmk s SER 29 Ca -0.07 -0.93 -0.00 0.00 0.70 0.00 0.00 55.95 55.65 2dmk s SER 29 Cb -0.12 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2dmk s SER 29 CO 0.03 -0.32 0.67 0.00 1.20 0.00 0.00 173.24 174.81 2dmk n HIS 30 N 0.13 -0.00 -2.19 3.44 1.44 -1.26 -2.01 115.22 114.76 2dmk n HIS 30 Ca -0.13 0.01 -0.26 0.00 -2.01 0.00 0.00 57.72 55.34 2dmk n HIS 30 Cb 0.59 -0.33 0.01 0.00 0.12 0.00 0.00 29.99 30.38 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2dmk n ASP 31 N -2.69 4.94 -3.48 4.39 5.68 -1.26 -3.28 116.55 120.83 2dmk n ASP 31 Ca 0.00 -3.74 -0.14 0.00 -0.50 0.00 0.00 54.79 50.41 2dmk n ASP 31 Cb 0.00 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.53 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2dmk s THR 32 N -4.99 0.00 -0.24 2.12 2.01 -0.85 -1.61 115.64 112.08 2dmk s THR 32 Ca 0.50 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 2dmk s THR 32 Cb 0.41 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.99 2dmk s THR 32 CO -0.06 0.00 0.58 -0.63 -0.69 0.00 0.00 174.62 173.82 2dmk s ILE 33 N -2.39 -0.03 -0.39 1.82 1.01 -1.12 0.47 121.20 120.57 2dmk s ILE 33 Ca -0.04 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 2dmk s ILE 33 Cb -0.01 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.69 2dmk s ILE 33 CO -0.02 0.02 0.19 -0.89 0.00 0.00 0.00 174.94 174.24 2dmk s THR 34 N 1.58 3.80 -0.10 2.92 2.01 -0.76 -1.55 115.64 123.54 2dmk s THR 34 Ca -0.10 -1.48 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 2dmk s THR 34 Cb -0.06 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2dmk s THR 34 CO -0.17 -0.44 0.49 -0.69 -0.69 0.00 0.00 174.62 173.13 2dmk s VAL 35 N 1.34 5.14 -0.22 3.82 1.01 -1.24 -1.47 120.40 128.78 2dmk s VAL 35 Ca 0.02 1.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.96 2dmk s VAL 35 Cb -0.22 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2dmk s VAL 35 CO 0.01 0.35 -0.03 -1.00 0.00 0.00 0.00 175.10 174.43 2dmk s HIS 36 N 0.43 2.98 -0.05 5.22 3.76 -1.26 -3.32 115.29 123.05 2dmk s HIS 36 Ca 0.27 -0.79 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2dmk s HIS 36 Cb -0.16 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 2dmk s HIS 36 CO 0.12 -0.46 -0.04 1.67 -0.85 0.00 0.00 174.74 175.17 2dmk s TRP 37 N 1.36 3.00 -0.05 1.40 -2.14 -1.06 -0.16 118.94 121.29 2dmk s TRP 37 Ca 0.04 0.06 0.06 0.00 2.66 0.00 0.00 56.10 58.92 2dmk s TRP 37 Cb -0.14 -1.70 -0.02 0.00 -3.10 0.00 0.00 33.47 28.51 2dmk s TRP 37 CO -0.01 0.39 -0.23 -1.50 -2.66 0.00 0.00 176.95 172.93 2dmk s ILE 38 N -0.90 2.23 0.08 0.66 1.10 0.92 -4.87 121.20 120.41 2dmk s ILE 38 Ca 0.15 -1.02 0.02 0.00 -0.51 0.00 0.00 60.65 59.28 2dmk s ILE 38 Cb -0.11 -1.81 -0.04 0.00 0.15 0.00 0.00 42.46 40.65 2dmk s ILE 38 CO 0.04 0.57 -0.07 -0.94 -2.11 0.00 0.00 174.94 172.44 2dmk s SER 39 N -0.35 1.01 0.05 4.50 1.04 -1.26 -0.48 113.70 118.21 2dmk s SER 39 Ca 0.02 -0.88 0.11 0.00 0.48 0.00 0.00 55.95 55.68 2dmk s SER 39 Cb -0.12 0.09 -0.19 0.00 0.10 0.00 0.00 66.02 65.89 2dmk s SER 39 CO 0.02 -0.40 0.97 0.44 0.98 0.00 0.00 173.24 175.25 2dmk h ASP 40 N 3.41 0.00 -2.94 7.02 5.19 -1.94 -3.44 116.42 123.72 2dmk h ASP 40 Ca -0.35 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.56 2dmk h ASP 40 Cb 1.17 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.28 2dmk h ASP 40 CO 0.58 0.93 -0.76 -1.81 -3.12 0.00 0.00 179.24 175.05 2dmk s ASP 41 N -6.32 2.96 -0.15 6.45 1.01 -1.26 -4.98 116.67 114.38 2dmk s ASP 41 Ca -0.02 -0.96 0.17 0.00 0.71 0.00 0.00 52.55 52.46 2dmk s ASP 41 Cb 0.09 -0.32 0.32 0.00 1.01 0.00 0.00 42.92 44.02 2dmk s ASP 41 CO 0.82 -0.39 1.17 -1.84 0.21 0.00 0.00 175.17 175.14 2dmk n GLU 42 N 5.25 1.39 0.01 8.23 0.28 -1.26 -4.66 120.64 129.86 2dmk n GLU 42 Ca -0.06 -2.72 -0.21 0.00 -0.16 0.00 0.00 57.16 54.01 2dmk n GLU 42 Cb 0.46 -1.53 -0.14 0.00 1.43 0.00 0.00 31.44 31.65 2dmk n GLU 42 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2dmk n PHE 43 N -1.35 1.27 -0.01 -1.84 3.72 -1.26 -4.35 117.46 113.64 2dmk n PHE 43 Ca 0.17 0.28 -0.17 0.00 -0.05 0.00 0.00 57.45 57.68 2dmk n PHE 43 Cb 0.66 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.93 2dmk n PHE 43 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2dmk h SER 44 N 0.07 0.60 -1.40 4.37 0.02 -2.00 -3.45 113.55 111.75 2dmk h SER 44 Ca -0.41 -0.71 -0.74 0.00 -0.84 0.00 0.00 61.79 59.09 2dmk h SER 44 Cb 2.04 -0.18 0.04 0.00 0.14 0.00 0.00 62.40 64.44 2dmk h SER 44 CO 0.09 1.22 0.43 -0.38 -1.14 0.00 0.00 176.83 177.06 2dmk n ILE 45 N -4.19 0.05 0.10 3.27 5.41 -1.26 -4.79 119.36 117.94 2dmk n ILE 45 Ca -0.09 -0.01 -0.23 0.00 1.00 0.00 0.00 62.75 63.42 2dmk n ILE 45 Cb 0.66 -0.62 -0.14 0.00 -0.71 0.00 0.00 39.64 38.83 2dmk n ILE 45 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dmk h SER 46 N 4.57 0.78 -4.83 4.38 0.87 -1.77 -3.48 113.55 114.06 2dmk h SER 46 Ca -0.48 -0.87 -0.00 0.00 -1.23 0.00 0.00 61.79 59.20 2dmk h SER 46 Cb 1.36 -0.25 -0.17 0.00 -0.44 0.00 0.00 62.40 62.91 2dmk h SER 46 CO 0.79 1.59 0.29 -0.94 -0.53 0.00 0.00 176.83 178.02 2dmk s SER 47 N -7.36 -0.55 0.19 6.23 1.04 -1.22 -5.02 113.70 107.00 2dmk s SER 47 Ca -0.10 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2dmk s SER 47 Cb 0.04 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2dmk s SER 47 CO 0.91 -0.70 0.25 -0.31 0.98 0.00 0.00 173.24 174.38 2dmk s TYR 48 N -2.30 3.34 -0.09 5.02 2.02 -1.01 -2.74 117.35 121.59 2dmk s TYR 48 Ca -0.04 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2dmk s TYR 48 Cb -0.01 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2dmk s TYR 48 CO -0.01 0.50 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.35 2dmk s GLU 49 N -3.47 1.77 0.05 -0.62 2.56 -1.01 -3.61 118.70 114.37 2dmk s GLU 49 Ca 0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 54.97 54.88 2dmk s GLU 49 Cb -0.10 -1.56 -0.04 0.00 2.00 0.00 0.00 34.13 34.43 2dmk s GLU 49 CO 0.27 -0.07 0.23 -1.17 -0.56 0.00 0.00 175.26 173.95 2dmk s LEU 50 N 1.02 4.35 -0.18 2.70 2.96 -1.24 -1.53 118.68 126.76 2dmk s LEU 50 Ca -0.07 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2dmk s LEU 50 Cb -0.15 -2.90 0.09 0.00 0.50 0.00 0.00 46.19 43.73 2dmk s LEU 50 CO -0.01 0.18 0.28 -1.10 -1.32 0.00 0.00 176.35 174.38 2dmk s GLN 51 N -2.33 0.21 0.08 1.98 -0.21 -1.02 -2.79 119.66 115.58 2dmk s GLN 51 Ca 0.33 0.52 0.06 0.00 0.02 0.00 0.00 55.36 56.29 2dmk s GLN 51 Cb -0.13 -0.53 -0.03 0.00 1.00 0.00 0.00 33.01 33.32 2dmk s GLN 51 CO 0.24 -0.49 -0.15 1.52 -2.12 0.00 0.00 175.29 174.29 2dmk s TYR 52 N 2.42 1.31 0.07 0.91 1.13 -1.06 0.36 117.35 122.49 2dmk s TYR 52 Ca 0.05 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.05 2dmk s TYR 52 Cb -0.14 -0.73 0.05 0.00 -1.10 0.00 0.00 41.96 40.04 2dmk s TYR 52 CO -0.11 0.08 0.51 -0.08 -2.51 0.00 0.00 175.55 173.44 2dmk s THR 53 N -1.25 0.03 -0.13 -3.49 -1.32 -0.62 -2.87 115.64 105.99 2dmk s THR 53 Ca -0.01 -0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 2dmk s THR 53 Cb -0.10 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 2dmk s THR 53 CO 0.03 -0.15 1.02 -0.63 -2.21 0.00 0.00 174.62 172.68 2dmk s ILE 54 N -2.77 4.75 -0.43 5.08 1.01 -1.26 -0.85 121.20 126.72 2dmk s ILE 54 Ca -0.03 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 62.53 2dmk s ILE 54 Cb -0.00 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.23 2dmk s ILE 54 CO -0.04 -0.03 0.30 0.12 0.00 0.00 0.00 174.94 175.29 2dmk s PHE 55 N 2.26 3.30 0.05 3.97 5.36 -1.08 -4.93 117.98 126.91 2dmk s PHE 55 Ca 0.48 -1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 55.12 2dmk s PHE 55 Cb -0.18 -2.99 -0.02 0.00 -0.34 0.00 0.00 43.02 39.49 2dmk s PHE 55 CO 0.16 -0.82 0.05 -0.08 -1.46 0.00 0.00 175.22 173.08 2dmk s THR 56 N 1.51 0.17 -0.16 0.12 -1.32 -1.26 -4.42 115.64 110.28 2dmk s THR 56 Ca 0.03 -1.43 -0.33 0.00 -1.21 0.00 0.00 61.69 58.76 2dmk s THR 56 Cb -0.23 -1.26 -0.15 0.00 -1.51 0.00 0.00 72.50 69.35 2dmk s THR 56 CO 0.04 -0.79 0.98 0.61 -2.21 0.00 0.00 174.62 173.25 2dmk n GLY 57 N 0.31 -0.06 3.36 6.08 0.00 -1.26 -4.93 105.19 108.69 2dmk n GLY 57 Ca -0.16 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 2dmk n GLY 57 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmk s GLN 58 N 0.95 1.08 0.22 1.61 0.74 -1.26 -5.03 119.66 117.96 2dmk s GLN 58 Ca 0.73 -0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.69 2dmk s GLN 58 Cb -1.04 0.49 0.51 0.00 1.10 0.00 0.00 33.01 34.07 2dmk s GLN 58 CO 0.51 -0.42 1.09 0.00 -0.55 0.00 0.00 175.29 175.93 2dmk n ALA 59 N 0.05 0.34 -3.65 1.58 0.00 -1.26 -4.52 120.51 113.05 2dmk n ALA 59 Ca -0.17 0.75 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 2dmk n ALA 59 Cb 0.62 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2dmk n ALA 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dmk s ASN 60 N -5.02 -0.25 0.31 0.00 2.47 -1.26 -5.02 114.94 106.18 2dmk s ASN 60 Ca -0.09 0.43 0.09 0.00 0.42 0.00 0.00 52.86 53.71 2dmk s ASN 60 Cb 0.20 0.80 0.87 0.00 -1.45 0.00 0.00 41.25 41.67 2dmk s ASN 60 CO 0.54 -0.07 1.71 0.15 -3.72 0.00 0.00 177.10 175.72 2dmk h PHE 61 N 4.66 0.92 -0.37 0.43 3.57 -1.97 0.92 116.94 125.10 2dmk h PHE 61 Ca -0.27 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.28 2dmk h PHE 61 Cb 1.18 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2dmk h PHE 61 CO 0.20 0.01 0.22 0.82 -2.23 0.00 0.00 178.31 177.34 2dmk h ILE 62 N 0.51 1.05 -0.85 1.41 1.08 -1.97 -0.49 117.51 118.25 2dmk h ILE 62 Ca 0.63 -0.16 0.21 0.00 -0.39 0.00 0.00 64.86 65.16 2dmk h ILE 62 Cb 1.23 0.55 -0.15 0.00 -3.07 0.00 0.00 36.82 35.39 2dmk h ILE 62 CO -0.50 0.08 0.07 -1.28 -0.69 0.00 0.00 178.15 175.83 2dmk h SER 63 N 0.46 -0.29 0.17 1.72 0.87 -1.21 0.49 113.55 115.76 2dmk h SER 63 Ca 0.15 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 2dmk h SER 63 Cb -0.01 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2dmk h SER 63 CO -0.06 -0.22 -0.08 0.25 -0.53 0.00 0.00 176.83 176.19 2dmk h LEU 64 N 0.11 -0.19 -1.92 2.23 5.85 -1.43 -3.28 115.31 116.67 2dmk h LEU 64 Ca 0.50 0.01 0.43 0.00 0.84 0.00 0.00 57.88 59.66 2dmk h LEU 64 Cb 0.95 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 2dmk h LEU 64 CO -0.73 0.27 1.05 0.22 -0.34 0.00 0.00 178.44 178.91 2dmk h TYR 65 N -1.04 0.08 -0.17 1.25 3.20 -0.67 0.42 116.97 120.04 2dmk h TYR 65 Ca -0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2dmk h TYR 65 Cb 0.17 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2dmk h TYR 65 CO 0.00 -0.01 0.08 -0.97 -1.64 0.00 0.00 178.16 175.62 2dmk h ASN 66 N 0.03 0.23 -0.73 -2.11 -0.73 -0.09 -2.95 115.58 109.23 2dmk h ASN 66 Ca 0.72 -0.13 -0.39 0.00 1.87 0.00 0.00 56.30 58.37 2dmk h ASN 66 Cb 2.81 -0.06 -0.15 0.00 0.27 0.00 0.00 38.32 41.19 2dmk h ASN 66 CO -0.06 0.30 0.26 -1.20 -0.37 0.00 0.00 177.43 176.36 2dmk n SER 67 N -4.88 6.24 -0.42 1.15 7.64 0.15 -4.66 113.62 118.85 2dmk n SER 67 Ca -0.04 -3.03 0.35 0.00 1.01 0.00 0.00 58.87 57.16 2dmk n SER 67 Cb 0.10 -1.22 0.67 0.00 -1.01 0.00 0.00 64.21 62.75 2dmk n SER 67 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dmk h VAL 68 N 1.74 0.29 -1.89 0.44 3.04 -1.54 0.83 116.25 119.16 2dmk h VAL 68 Ca 0.32 -0.04 0.56 0.00 -1.01 0.00 0.00 66.70 66.53 2dmk h VAL 68 Cb 0.90 0.15 -0.08 0.00 -2.01 0.00 0.00 31.29 30.24 2dmk h VAL 68 CO 0.72 0.02 1.35 -0.67 -1.01 0.00 0.00 177.57 177.98 2dmk n ASP 69 N -4.43 0.02 0.02 3.17 -0.08 -1.26 0.23 116.55 114.22 2dmk n ASP 69 Ca 0.32 1.02 -0.19 0.00 -1.51 0.00 0.00 54.79 54.42 2dmk n ASP 69 Cb 1.32 -0.51 -0.10 0.00 2.34 0.00 0.00 41.12 44.18 2dmk n ASP 69 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2dmk h SER 70 N 0.00 0.89 -2.10 1.67 0.02 -1.20 -3.46 113.55 109.36 2dmk h SER 70 Ca 0.92 -0.71 -0.59 0.00 -0.84 0.00 0.00 61.79 60.57 2dmk h SER 70 Cb 3.63 -0.27 0.19 0.00 0.14 0.00 0.00 62.40 66.08 2dmk h SER 70 CO -0.06 1.48 -1.15 0.79 -1.14 0.00 0.00 176.83 176.75 2dmk n TRP 71 N -3.92 -2.90 -3.35 3.45 7.02 0.62 -4.91 117.44 113.45 2dmk n TRP 71 Ca -0.10 0.40 -0.38 0.00 -1.02 0.00 0.00 57.50 56.40 2dmk n TRP 71 Cb 0.83 -1.69 -0.06 0.00 -2.42 0.00 0.00 31.31 27.97 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -1.23 4.17 0.01 -0.99 -1.94 -1.14 -5.00 119.30 113.19 2dmk s MET 72 Ca 0.56 0.54 0.04 0.00 -1.71 0.00 0.00 55.69 55.12 2dmk s MET 72 Cb -0.46 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.06 2dmk s MET 72 CO 0.67 0.46 -0.13 0.42 -0.01 0.00 0.00 175.02 176.43 2dmk s ILE 73 N -0.41 1.04 -0.37 2.53 1.09 -1.26 -2.57 121.20 121.25 2dmk s ILE 73 Ca 0.26 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 2dmk s ILE 73 Cb -0.17 -0.91 0.12 0.00 -1.06 0.00 0.00 42.46 40.44 2dmk s ILE 73 CO 0.14 0.15 0.17 -0.69 -0.10 0.00 0.00 174.94 174.61 2dmk s VAL 74 N -0.56 1.07 0.00 2.92 1.01 -1.12 -4.99 120.40 118.73 2dmk s VAL 74 Ca 0.03 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2dmk s VAL 74 Cb -0.06 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2dmk s VAL 74 CO 0.00 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.49 2dmk n PRO 75 N 4.19 0.24 -3.96 2.72 -0.04 -1.26 -3.68 135.00 133.22 2dmk n PRO 75 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 2dmk n PRO 75 Cb 0.38 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 2dmk n PRO 75 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dmk n ASN 76 N -1.12 -0.49 -4.33 3.54 0.23 -1.26 -4.93 115.26 106.90 2dmk n ASN 76 Ca 0.00 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.64 2dmk n ASN 76 Cb 0.00 -3.06 -0.10 0.00 -2.08 0.00 0.00 39.78 34.53 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2dmk s ILE 77 N -3.92 4.50 -0.41 1.53 1.01 -1.24 -4.95 121.20 117.72 2dmk s ILE 77 Ca 0.04 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.65 2dmk s ILE 77 Cb -0.02 -3.62 0.45 0.00 0.01 0.00 0.00 42.46 39.27 2dmk s ILE 77 CO 0.89 -0.37 1.38 0.29 0.00 0.00 0.00 174.94 177.12 2dmk n LYS 78 N 4.99 3.37 -4.26 2.79 4.76 -1.26 -2.40 118.16 126.15 2dmk n LYS 78 Ca -0.11 -4.03 -0.17 0.00 -2.87 0.00 0.00 58.31 51.13 2dmk n LYS 78 Cb 0.45 -2.28 -0.09 0.00 -1.84 0.00 0.00 35.03 31.27 2dmk n LYS 78 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2dmk s GLN 79 N -3.66 1.59 -0.09 1.97 0.00 -1.26 -5.05 119.66 113.17 2dmk s GLN 79 Ca 0.53 -1.90 0.17 0.00 -0.00 0.00 0.00 55.36 54.16 2dmk s GLN 79 Cb 0.43 0.31 0.58 0.00 0.00 0.00 0.00 33.01 34.33 2dmk s GLN 79 CO -0.03 -0.58 1.50 0.09 0.00 0.00 0.00 175.29 176.27 2dmk n ASN 80 N -1.17 4.12 -3.42 12.60 4.13 -1.26 -4.90 115.26 125.36 2dmk n ASN 80 Ca 0.06 -2.40 0.01 0.00 1.68 0.00 0.00 54.58 53.93 2dmk n ASN 80 Cb 0.63 -0.48 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 2dmk n ASN 80 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2dmk s HIS 81 N -1.75 -0.48 -0.22 3.10 -3.43 -1.26 -2.56 115.29 108.71 2dmk s HIS 81 Ca 0.43 0.85 -0.03 0.00 -0.80 0.00 0.00 55.06 55.51 2dmk s HIS 81 Cb 0.28 0.29 -0.01 0.00 -1.43 0.00 0.00 32.58 31.70 2dmk s HIS 81 CO 0.20 -0.24 -0.06 -0.47 -2.00 0.00 0.00 174.74 172.18 2dmk s TYR 82 N 2.05 2.94 -0.44 0.38 6.14 -1.21 -4.94 117.35 122.27 2dmk s TYR 82 Ca -0.03 -0.98 -0.26 0.00 0.64 0.00 0.00 57.07 56.44 2dmk s TYR 82 Cb -0.04 -2.09 0.03 0.00 0.42 0.00 0.00 41.96 40.28 2dmk s TYR 82 CO -0.16 -0.56 0.96 0.99 0.64 0.00 0.00 175.55 177.42 2dmk s THR 83 N 1.44 4.45 -0.58 4.34 2.01 -1.26 -3.73 115.64 122.32 2dmk s THR 83 Ca 0.05 0.92 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 2dmk s THR 83 Cb -0.14 -4.44 0.04 0.00 0.01 0.00 0.00 72.50 67.97 2dmk s THR 83 CO -0.04 -0.80 0.99 -0.69 -0.69 0.00 0.00 174.62 173.39 2dmk s VAL 84 N 3.82 4.30 -0.13 3.82 1.01 -0.59 -4.91 120.40 127.72 2dmk s VAL 84 Ca 0.39 0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 2dmk s VAL 84 Cb -0.10 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 2dmk s VAL 84 CO 0.26 -1.22 0.29 -1.00 0.00 0.00 0.00 175.10 173.43 2dmk s HIS 85 N 4.17 3.52 0.00 5.22 3.76 -1.26 -2.79 115.29 127.91 2dmk s HIS 85 Ca 0.31 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 2dmk s HIS 85 Cb -0.12 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.29 2dmk s HIS 85 CO 0.18 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 2dmk n GLY 86 N 2.95 1.57 2.14 -2.22 0.00 -0.63 -5.03 105.19 103.96 2dmk n GLY 86 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2dmk n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 87 N 0.00 0.00 -4.52 0.99 4.77 -0.85 -5.01 117.00 112.37 2dmk n LEU 87 Ca 0.00 -1.22 -0.33 0.00 -0.03 0.00 0.00 56.01 54.42 2dmk n LEU 87 Cb 0.00 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 2dmk n LEU 87 CO 0.00 -0.72 -0.42 -1.10 -1.33 0.00 0.00 177.39 173.82 2dmk s GLN 88 N -3.75 2.61 0.58 3.23 -0.21 -1.26 -4.53 119.66 116.32 2dmk s GLN 88 Ca 0.36 -0.63 -0.20 0.00 0.02 0.00 0.00 55.36 54.91 2dmk s GLN 88 Cb -0.02 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2dmk s GLN 88 CO 0.23 0.64 1.26 -1.54 -2.12 0.00 0.00 175.29 173.77 2dmk s SER 89 N -0.76 5.20 -1.20 5.90 1.04 -1.21 -3.48 113.70 119.19 2dmk s SER 89 Ca 0.12 2.53 -0.33 0.00 0.48 0.00 0.00 55.95 58.75 2dmk s SER 89 Cb -0.11 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.44 2dmk s SER 89 CO 0.01 -1.60 0.70 0.61 0.98 0.00 0.00 173.24 173.94 2dmk n GLY 90 N 0.64 -0.86 3.02 7.32 0.00 -1.24 -4.96 105.19 109.11 2dmk n GLY 90 Ca 0.13 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 2dmk n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmk s THR 91 N -3.52 -0.01 0.37 2.61 2.01 -1.23 -4.98 115.64 110.90 2dmk s THR 91 Ca 0.49 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.28 2dmk s THR 91 Cb -0.26 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 71.92 2dmk s THR 91 CO 0.96 0.02 1.14 -0.13 -0.69 0.00 0.00 174.62 175.92 2dmk s ARG 92 N 0.41 4.20 -0.12 4.92 0.52 -1.26 -3.34 118.95 124.29 2dmk s ARG 92 Ca -0.03 1.79 -0.04 0.00 -0.52 0.00 0.00 55.73 56.93 2dmk s ARG 92 Cb -0.04 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.72 2dmk s ARG 92 CO -0.02 -0.18 0.20 0.71 0.02 0.00 0.00 175.30 176.03 2dmk s TYR 93 N -1.40 -0.26 -0.18 -0.53 2.02 0.22 -2.64 117.35 114.58 2dmk s TYR 93 Ca 0.54 0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 57.73 2dmk s TYR 93 Cb -0.30 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 2dmk s TYR 93 CO 0.38 -0.35 0.38 0.42 -1.57 0.00 0.00 175.55 174.81 2dmk s ILE 94 N 2.33 5.23 0.04 2.71 1.01 -0.03 -0.29 121.20 132.21 2dmk s ILE 94 Ca 0.03 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.43 2dmk s ILE 94 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2dmk s ILE 94 CO -0.08 0.30 -0.07 -0.36 0.00 0.00 0.00 174.94 174.73 2dmk s PHE 95 N 0.98 2.84 -0.23 3.97 0.40 -0.62 -1.58 117.98 123.74 2dmk s PHE 95 Ca 0.19 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2dmk s PHE 95 Cb -0.14 -1.55 0.11 0.00 0.51 0.00 0.00 43.02 41.95 2dmk s PHE 95 CO 0.07 0.39 0.28 0.42 0.70 0.00 0.00 175.22 177.08 2dmk s ILE 96 N -1.08 -0.41 -0.05 0.64 1.01 0.16 -1.09 121.20 120.38 2dmk s ILE 96 Ca 0.19 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 2dmk s ILE 96 Cb -0.11 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2dmk s ILE 96 CO 0.10 -0.24 0.57 -0.69 0.00 0.00 0.00 174.94 174.69 2dmk s VAL 97 N 2.39 5.01 -0.20 2.92 1.01 -1.26 -2.44 120.40 127.83 2dmk s VAL 97 Ca 0.09 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 2dmk s VAL 97 Cb -0.15 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.37 2dmk s VAL 97 CO -0.17 0.37 -0.03 -0.75 0.00 0.00 0.00 175.10 174.51 2dmk s LYS 98 N 0.17 1.34 0.43 2.72 2.20 -0.58 -1.44 119.74 124.57 2dmk s LYS 98 Ca 0.31 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 2dmk s LYS 98 Cb -0.17 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.77 2dmk s LYS 98 CO 0.15 -0.56 1.10 0.00 -0.36 0.00 0.00 175.35 175.69 2dmk s ALA 99 N 1.58 3.04 0.02 3.13 0.00 -1.06 -2.42 121.76 126.05 2dmk s ALA 99 Ca -0.03 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2dmk s ALA 99 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2dmk s ALA 99 CO -0.07 -0.40 -0.10 0.42 0.00 0.00 0.00 175.76 175.61 2dmk s ILE 100 N -1.62 0.78 0.31 0.00 1.01 -1.11 -1.70 121.20 118.88 2dmk s ILE 100 Ca 0.60 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2dmk s ILE 100 Cb -0.25 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2dmk s ILE 100 CO 0.30 0.03 0.47 -0.46 0.00 0.00 0.00 174.94 175.28 2dmk n ASN 101 N 2.31 -1.32 0.15 3.58 6.94 0.02 -2.27 115.26 124.68 2dmk n ASN 101 Ca -0.16 -2.61 0.17 0.00 -0.02 0.00 0.00 54.58 51.95 2dmk n ASN 101 Cb 0.56 2.40 0.77 0.00 -2.36 0.00 0.00 39.78 41.14 2dmk n ASN 101 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2dmk h GLN 102 N 0.00 0.00 0.00 -3.83 5.75 -1.95 -3.14 115.11 111.94 2dmk h GLN 102 Ca -0.25 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2dmk h GLN 102 Cb 1.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.59 2dmk h GLN 102 CO 0.33 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.51 2dmk n ALA 103 N -2.43 -0.03 -2.01 3.38 0.00 -1.26 -5.09 120.51 113.07 2dmk n ALA 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2dmk n ALA 103 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2dmk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmk n GLY 104 N 1.86 3.69 3.27 0.00 0.00 -1.12 -4.90 105.19 108.00 2dmk n GLY 104 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2dmk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 105 N 2.00 -0.25 -0.15 1.61 1.04 -1.26 -0.80 113.70 115.89 2dmk s SER 105 Ca 0.00 0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 2dmk s SER 105 Cb 0.00 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2dmk s SER 105 CO 0.00 -0.46 -0.03 -0.60 0.98 0.00 0.00 173.24 173.13 2dmk s ARG 106 N -1.27 1.20 -0.00 4.02 6.06 -0.69 -4.77 118.95 123.49 2dmk s ARG 106 Ca -0.13 -0.38 -0.26 0.00 -2.50 0.00 0.00 55.73 52.47 2dmk s ARG 106 Cb -0.05 -1.81 -0.04 0.00 0.06 0.00 0.00 34.95 33.11 2dmk s ARG 106 CO 0.05 -0.42 0.80 0.54 -2.50 0.00 0.00 175.30 173.77 2dmk s ASN 107 N 1.73 7.18 0.84 -2.12 4.22 -1.26 -2.56 114.94 122.97 2dmk s ASN 107 Ca 0.02 1.42 -0.10 0.00 -2.14 0.00 0.00 52.86 52.06 2dmk s ASN 107 Cb -0.15 -2.48 0.15 0.00 1.28 0.00 0.00 41.25 40.05 2dmk s ASN 107 CO -0.07 -0.10 1.17 -0.94 -2.04 0.00 0.00 177.10 175.11 2dmk s SER 108 N 0.51 3.82 0.51 3.54 1.04 -0.52 -4.96 113.70 117.64 2dmk s SER 108 Ca 0.42 0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.78 2dmk s SER 108 Cb -0.20 -0.39 -0.07 0.00 0.10 0.00 0.00 66.02 65.46 2dmk s SER 108 CO 0.23 -2.25 1.05 -1.61 0.98 0.00 0.00 173.24 171.63 2dmk s GLU 109 N -5.55 3.67 0.09 4.02 2.02 -1.26 -4.74 118.70 116.95 2dmk s GLU 109 Ca 0.69 1.34 -0.31 0.00 0.02 0.00 0.00 54.97 56.71 2dmk s GLU 109 Cb -0.06 -2.08 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 2dmk s GLU 109 CO 0.49 -0.54 1.38 -1.25 0.02 0.00 0.00 175.26 175.35 2dmk s PRO 110 N -3.43 4.33 -0.34 0.39 0.04 -1.26 -4.70 135.00 130.02 2dmk s PRO 110 Ca 0.67 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 2dmk s PRO 110 Cb -0.17 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.14 2dmk s PRO 110 CO 0.24 -0.44 0.08 0.99 0.04 0.00 0.00 177.00 177.91 2dmk s THR 111 N 1.28 3.17 -0.08 1.26 2.01 -0.25 -4.92 115.64 118.10 2dmk s THR 111 Ca 0.64 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 2dmk s THR 111 Cb -0.35 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 2dmk s THR 111 CO 0.30 -0.33 1.29 -0.13 -0.69 0.00 0.00 174.62 175.06 2dmk s ARG 112 N 1.22 4.29 0.03 4.92 0.52 -1.26 -1.59 118.95 127.08 2dmk s ARG 112 Ca 0.00 1.76 0.04 0.00 -0.52 0.00 0.00 55.73 57.01 2dmk s ARG 112 Cb -0.21 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 2dmk s ARG 112 CO -0.02 -0.59 -0.12 -0.51 0.02 0.00 0.00 175.30 174.09 2dmk s LEU 113 N 2.80 2.14 0.11 2.53 1.43 0.61 -4.95 118.68 123.34 2dmk s LEU 113 Ca 0.58 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 2dmk s LEU 113 Cb -0.26 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2dmk s LEU 113 CO 0.21 0.02 -0.15 -0.54 0.23 0.00 0.00 176.35 176.12 2dmk s LYS 114 N -0.93 1.92 0.38 1.70 -0.14 -1.26 0.69 119.74 122.11 2dmk s LYS 114 Ca 0.00 -1.11 -0.00 0.00 -1.36 0.00 0.00 55.97 53.50 2dmk s LYS 114 Cb -0.07 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 2dmk s LYS 114 CO 0.01 0.49 0.60 0.95 -0.76 0.00 0.00 175.35 176.64 2dmk s THR 115 N -1.17 4.85 0.23 2.17 -4.23 -1.21 -4.73 115.64 111.54 2dmk s THR 115 Ca 0.19 -0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 59.99 2dmk s THR 115 Cb -0.11 -3.78 -0.12 0.00 1.34 0.00 0.00 72.50 69.83 2dmk s THR 115 CO 0.12 -0.54 1.68 0.20 -0.54 0.00 0.00 174.62 175.53 2dmk s ASN 116 N -4.08 6.39 0.00 3.99 0.01 -1.22 -3.98 114.94 116.06 2dmk s ASN 116 Ca 0.42 2.87 0.00 0.00 -0.71 0.00 0.00 52.86 55.44 2dmk s ASN 116 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2dmk s ASN 116 CO 0.37 -0.95 0.79 -1.20 -1.51 0.00 0.00 177.10 174.61 2dmk n SER 117 N 3.53 0.00 -3.99 -1.22 7.64 -1.26 -3.60 113.62 114.72 2dmk n SER 117 Ca 0.14 0.79 -0.16 0.00 1.01 0.00 0.00 58.87 60.65 2dmk n SER 117 Cb 0.36 -0.34 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 2dmk n SER 117 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dmk s GLN 118 N -2.52 0.49 0.00 1.43 0.74 -1.26 -3.60 119.66 114.93 2dmk s GLN 118 Ca 0.00 -0.30 0.16 0.00 0.05 0.00 0.00 55.36 55.27 2dmk s GLN 118 Cb 0.00 -0.44 0.93 0.00 1.10 0.00 0.00 33.01 34.60 2dmk s GLN 118 CO 0.00 0.12 1.34 -0.35 -0.55 0.00 0.00 175.29 175.85 2dmk n PRO 119 N 2.70 0.49 -1.92 1.67 -0.04 -1.26 -4.81 135.00 131.82 2dmk n PRO 119 Ca -0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 2dmk n PRO 119 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2dmk n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmk s PHE 120 N -2.00 2.78 -0.19 0.54 0.40 -1.26 -4.97 117.98 113.28 2dmk s PHE 120 Ca 0.23 1.21 -0.24 0.00 -0.60 0.00 0.00 56.93 57.54 2dmk s PHE 120 Cb 0.11 -3.90 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 2dmk s PHE 120 CO 0.18 -2.65 0.76 0.15 0.70 0.00 0.00 175.22 174.37 2dmk s LYS 121 N -1.76 4.25 -0.33 0.44 -0.14 -1.26 -4.95 119.74 115.99 2dmk s LYS 121 Ca 0.53 0.87 0.06 0.00 -1.36 0.00 0.00 55.97 56.07 2dmk s LYS 121 Cb -0.44 -3.58 0.46 0.00 -1.68 0.00 0.00 37.83 32.58 2dmk s LYS 121 CO 0.57 -0.32 1.28 0.45 -0.76 0.00 0.00 175.35 176.58 2dmk n SER 122 N 5.26 5.23 -1.40 2.83 2.88 -1.26 -4.93 113.62 122.22 2dmk n SER 122 Ca 0.03 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2dmk n SER 122 Cb 0.49 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2dmk n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmk n GLY 123 N -0.73 0.09 3.65 0.46 0.00 -1.26 -4.99 105.19 102.41 2dmk n GLY 123 Ca 0.46 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2dmk n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmk s PRO 124 N -2.93 4.02 0.24 1.61 0.04 -1.26 -4.96 135.00 131.75 2dmk s PRO 124 Ca 0.00 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 2dmk s PRO 124 Cb 0.00 -3.97 -0.11 0.00 0.04 0.00 0.00 34.50 30.46 2dmk s PRO 124 CO 0.00 -1.02 1.61 -1.12 0.04 0.00 0.00 177.00 176.52 2dmk s SER 125 N 3.47 6.44 -0.07 6.66 0.01 -1.26 -5.00 113.70 123.96 2dmk s SER 125 Ca 0.69 2.83 -0.00 0.00 1.31 0.00 0.00 55.95 60.78 2dmk s SER 125 Cb -0.27 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 2dmk s SER 125 CO 0.27 -0.89 -0.03 -0.44 0.41 0.00 0.00 173.24 172.55 2dmk s SER 126 N 0.82 4.97 0.00 2.44 0.01 -1.26 -5.28 113.70 115.41 2dmk s SER 126 Ca 0.68 0.06 0.26 0.00 1.31 0.00 0.00 55.95 58.26 2dmk s SER 126 Cb -0.47 -1.33 0.54 0.00 0.21 0.00 0.00 66.02 64.97 2dmk s SER 126 CO 0.39 0.37 1.46 0.61 0.41 0.00 0.00 173.24 176.48