#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 7.04 -0.19 1.61 0.01 -1.26 -4.96 113.70 115.95 2dmk s SER 2 Ca 0.00 1.27 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 2dmk s SER 2 Cb 0.00 -2.47 -0.21 0.00 0.21 0.00 0.00 66.02 63.56 2dmk s SER 2 CO 0.00 -0.32 0.31 0.77 0.41 0.00 0.00 173.24 174.41 2dmk h SER 3 N 7.12 0.03 -1.69 2.44 4.64 -2.09 -3.51 113.55 120.49 2dmk h SER 3 Ca -0.33 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2dmk h SER 3 Cb 1.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2dmk h SER 3 CO 0.81 1.44 0.00 0.61 -0.87 0.00 0.00 176.83 178.82 2dmk n GLY 4 N 1.49 -0.99 3.44 -0.77 0.00 -1.26 -4.89 105.19 102.21 2dmk n GLY 4 Ca -0.29 -0.41 -0.47 0.00 0.00 0.00 0.00 46.02 44.85 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmk n SER 5 N -0.12 1.24 -0.11 1.61 2.88 -1.26 -4.78 113.62 113.07 2dmk n SER 5 Ca 0.00 0.23 -0.21 0.00 -1.33 0.00 0.00 58.87 57.56 2dmk n SER 5 Cb 0.00 -1.12 -0.09 0.00 -0.75 0.00 0.00 64.21 62.24 2dmk n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmk n SER 6 N 10.62 1.88 0.00 -3.46 7.64 -1.26 -5.12 113.62 123.92 2dmk n SER 6 Ca 0.52 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2dmk n SER 6 Cb 0.16 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 1.41 -0.10 0.13 0.23 0.00 -1.26 -4.97 105.19 100.63 2dmk n GLY 7 Ca -0.34 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 2dmk n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmk n GLU 8 N 0.62 0.66 0.00 1.61 4.71 -1.26 -5.03 120.64 121.95 2dmk n GLU 8 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 2dmk n GLU 8 Cb 0.00 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dmk n GLY 9 N 1.86 3.22 3.36 0.62 0.00 -1.26 -5.12 105.19 107.87 2dmk n GLY 9 Ca -0.41 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 2.55 -0.25 0.99 1.43 -1.26 -5.01 118.68 117.14 2dmk s LEU 10 Ca 0.00 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2dmk s LEU 10 Cb 0.00 -1.54 0.28 0.00 0.03 0.00 0.00 46.19 44.96 2dmk s LEU 10 CO 0.00 0.22 1.63 0.47 0.23 0.00 0.00 176.35 178.89 2dmk n ASP 11 N 3.16 4.39 -3.40 2.29 9.92 -1.26 -4.49 116.55 127.17 2dmk n ASP 11 Ca -0.18 -2.86 -0.39 0.00 -0.53 0.00 0.00 54.79 50.83 2dmk n ASP 11 Cb 0.53 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 40.20 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmk n TYR 12 N -0.06 2.50 -4.28 1.24 4.11 -1.26 -4.67 117.16 114.74 2dmk n TYR 12 Ca 0.29 -2.91 -0.37 0.00 -0.00 0.00 0.00 57.90 54.91 2dmk n TYR 12 Cb 0.89 -2.07 -0.04 0.00 -0.00 0.00 0.00 39.34 38.12 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 2dmk n LEU 13 N 2.40 -1.51 -0.28 -3.48 0.00 -1.26 -4.76 117.00 108.11 2dmk n LEU 13 Ca 0.68 -1.08 0.11 0.00 0.00 0.00 0.00 56.01 55.72 2dmk n LEU 13 Cb 0.25 -1.96 0.21 0.00 0.00 0.00 0.00 43.42 41.92 2dmk n LEU 13 CO 0.74 0.27 0.61 1.07 0.00 0.00 0.00 177.39 180.09 2dmk n THR 14 N -4.33 -0.33 -3.55 1.96 5.66 -1.26 -4.66 114.28 107.77 2dmk n THR 14 Ca 0.03 1.76 -0.08 0.00 -3.05 0.00 0.00 64.05 62.71 2dmk n THR 14 Cb 0.51 -2.54 -0.02 0.00 -1.55 0.00 0.00 70.33 66.73 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 -5.78 -1.76 0.49 1.79 0.00 -1.26 -4.46 121.76 110.78 2dmk s ALA 15 Ca -0.11 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 2dmk s ALA 15 Cb 0.23 0.52 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2dmk s ALA 15 CO 0.62 -0.77 1.15 -1.25 0.00 0.00 0.00 175.76 175.51 2dmk s PRO 16 N -3.24 3.63 0.34 0.00 0.04 -1.26 -5.00 135.00 129.51 2dmk s PRO 16 Ca 0.06 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.55 2dmk s PRO 16 Cb -0.01 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2dmk s PRO 16 CO -0.07 -0.65 1.11 -0.80 0.04 0.00 0.00 177.00 176.64 2dmk s ASN 17 N -1.50 6.94 -0.07 6.66 -0.87 -1.26 -4.58 114.94 120.25 2dmk s ASN 17 Ca 0.67 2.25 -0.30 0.00 -1.57 0.00 0.00 52.86 53.91 2dmk s ASN 17 Cb -0.27 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.30 2dmk s ASN 17 CO 0.32 -0.38 1.51 -2.16 -2.57 0.00 0.00 177.10 173.82 2dmk s PRO 18 N -1.93 4.21 0.43 -0.60 0.04 -1.26 -4.83 135.00 131.05 2dmk s PRO 18 Ca 0.51 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.32 2dmk s PRO 18 Cb -0.29 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.31 2dmk s PRO 18 CO 0.38 -0.76 1.18 -1.25 0.04 0.00 0.00 177.00 176.58 2dmk s PRO 19 N 3.61 3.91 -0.30 0.56 0.04 -1.26 -4.97 135.00 136.59 2dmk s PRO 19 Ca 0.67 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 2dmk s PRO 19 Cb -0.30 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2dmk s PRO 19 CO 0.25 -0.44 0.16 -1.12 0.04 0.00 0.00 177.00 175.89 2dmk s SER 20 N -1.20 5.64 -0.62 6.66 0.01 -0.51 -4.70 113.70 118.97 2dmk s SER 20 Ca 0.60 -0.33 -0.26 0.00 1.31 0.00 0.00 55.95 57.26 2dmk s SER 20 Cb -0.30 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2dmk s SER 20 CO 0.38 -0.14 1.13 -0.63 0.41 0.00 0.00 173.24 174.39 2dmk s ILE 21 N 1.66 4.06 -0.04 1.44 1.01 -1.26 -0.28 121.20 127.79 2dmk s ILE 21 Ca 0.06 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 2dmk s ILE 21 Cb -0.16 -4.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.54 2dmk s ILE 21 CO 0.07 -1.44 1.24 -0.13 0.00 0.00 0.00 174.94 174.68 2dmk s ARG 22 N 4.83 4.34 0.23 2.79 1.81 -0.35 -4.91 118.95 127.69 2dmk s ARG 22 Ca 0.36 1.73 0.23 0.00 -1.72 0.00 0.00 55.73 56.33 2dmk s ARG 22 Cb -0.10 -3.55 0.14 0.00 -0.45 0.00 0.00 34.95 30.99 2dmk s ARG 22 CO 0.19 -0.46 1.21 0.93 -0.68 0.00 0.00 175.30 176.49 2dmk h GLU 23 N 7.50 0.00 0.00 3.54 5.08 -1.92 -2.80 114.58 125.98 2dmk h GLU 23 Ca -0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2dmk h GLU 23 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2dmk h GLU 23 CO 0.88 0.00 -0.41 1.05 -1.00 0.00 0.00 179.01 179.53 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.97 -3.31 114.58 115.74 2dmk h GLU 24 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2dmk h GLU 24 Cb 0.94 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 2dmk h GLU 24 CO 0.00 0.31 -2.15 1.28 0.07 0.00 0.00 179.01 178.52 2dmk n LEU 25 N -3.15 0.32 -4.76 3.06 4.77 -1.25 -4.95 117.00 111.05 2dmk n LEU 25 Ca 0.02 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 2dmk n LEU 25 Cb 0.67 0.38 0.02 0.00 -2.33 0.00 0.00 43.42 42.15 2dmk n LEU 25 CO 0.39 0.46 0.94 0.00 -1.33 0.00 0.00 177.39 177.85 2dmk s THR 27 N -1.36 2.12 -0.03 0.00 -4.23 0.81 -4.95 115.64 108.00 2dmk s THR 27 Ca 0.66 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 2dmk s THR 27 Cb -0.37 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2dmk s THR 27 CO 0.45 -0.03 -0.22 0.00 -0.54 0.00 0.00 174.62 174.27 2dmk s ALA 28 N -1.33 1.85 0.17 3.99 0.00 -1.26 -0.79 121.76 124.38 2dmk s ALA 28 Ca 0.14 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2dmk s ALA 28 Cb -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2dmk s ALA 28 CO 0.07 0.41 -0.01 0.45 0.00 0.00 0.00 175.76 176.68 2dmk s SER 29 N -0.33 1.21 0.06 0.00 0.15 0.51 -4.51 113.70 110.79 2dmk s SER 29 Ca 0.03 -1.16 -0.14 0.00 0.70 0.00 0.00 55.95 55.39 2dmk s SER 29 Cb -0.10 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2dmk s SER 29 CO 0.01 -0.56 1.23 1.12 1.20 0.00 0.00 173.24 176.24 2dmk h HIS 30 N 2.72 -0.78 -0.38 3.44 2.07 -1.86 -3.01 115.15 117.35 2dmk h HIS 30 Ca -0.37 0.05 -0.28 0.00 -2.85 0.00 0.00 60.37 56.92 2dmk h HIS 30 Cb 1.20 0.38 -0.22 0.00 2.57 0.00 0.00 27.41 31.34 2dmk h HIS 30 CO 0.54 -0.18 -0.67 -0.25 -3.07 0.00 0.00 177.93 174.30 2dmk n ASP 31 N -3.91 3.35 -3.55 3.10 8.00 -1.26 -1.60 116.55 120.68 2dmk n ASP 31 Ca -0.00 -3.81 -0.16 0.00 0.71 0.00 0.00 54.79 51.52 2dmk n ASP 31 Cb 0.13 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dmk s THR 32 N -3.92 0.00 -0.14 -3.53 2.01 -1.14 -1.98 115.64 106.94 2dmk s THR 32 Ca 0.45 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2dmk s THR 32 Cb 0.39 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.95 2dmk s THR 32 CO -0.01 0.00 0.35 -0.63 -0.69 0.00 0.00 174.62 173.63 2dmk s ILE 33 N -0.78 -0.02 -0.25 1.82 1.01 -0.98 0.19 121.20 122.19 2dmk s ILE 33 Ca -0.08 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 2dmk s ILE 33 Cb -0.01 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2dmk s ILE 33 CO 0.07 0.03 0.02 -0.89 0.00 0.00 0.00 174.94 174.17 2dmk s THR 34 N 0.91 3.78 -0.19 2.92 2.01 0.03 -1.15 115.64 123.95 2dmk s THR 34 Ca -0.06 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2dmk s THR 34 Cb -0.07 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2dmk s THR 34 CO -0.07 0.30 0.06 -0.69 -0.69 0.00 0.00 174.62 173.53 2dmk s VAL 35 N 1.52 4.70 -0.18 3.82 1.01 -1.23 -0.13 120.40 129.90 2dmk s VAL 35 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2dmk s VAL 35 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2dmk s VAL 35 CO 0.00 0.45 -0.02 -1.00 0.00 0.00 0.00 175.10 174.53 2dmk s HIS 36 N 0.47 3.02 -0.11 5.22 3.76 -1.26 -3.20 115.29 123.18 2dmk s HIS 36 Ca 0.03 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 2dmk s HIS 36 Cb -0.13 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 2dmk s HIS 36 CO 0.01 -0.20 -0.17 1.67 -0.85 0.00 0.00 174.74 175.20 2dmk s TRP 37 N 0.79 2.71 -0.16 1.40 -2.14 -1.05 -1.22 118.94 119.27 2dmk s TRP 37 Ca -0.01 -0.74 -0.06 0.00 2.66 0.00 0.00 56.10 57.96 2dmk s TRP 37 Cb -0.14 -1.77 -0.04 0.00 -3.10 0.00 0.00 33.47 28.41 2dmk s TRP 37 CO 0.02 -0.25 0.04 -1.50 -2.66 0.00 0.00 176.95 172.60 2dmk s ILE 38 N 0.25 4.60 0.01 0.66 1.10 0.62 -4.86 121.20 123.57 2dmk s ILE 38 Ca -0.12 -0.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.92 2dmk s ILE 38 Cb -0.16 -3.04 -0.01 0.00 0.15 0.00 0.00 42.46 39.41 2dmk s ILE 38 CO 0.06 0.50 -0.02 -0.44 -2.11 0.00 0.00 174.94 172.93 2dmk s SER 39 N 0.07 0.23 0.00 4.50 0.01 -1.26 -1.42 113.70 115.83 2dmk s SER 39 Ca 0.04 -0.18 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 2dmk s SER 39 Cb -0.12 0.02 -0.30 0.00 0.21 0.00 0.00 66.02 65.83 2dmk s SER 39 CO 0.01 -0.08 0.87 -0.78 0.41 0.00 0.00 173.24 173.67 2dmk h ASP 40 N 5.63 0.51 -3.96 2.44 1.82 -1.96 -3.42 116.42 117.48 2dmk h ASP 40 Ca -0.28 -0.66 -0.64 0.00 -0.39 0.00 0.00 57.03 55.06 2dmk h ASP 40 Cb 1.21 -0.16 -0.40 0.00 0.68 0.00 0.00 39.33 40.65 2dmk h ASP 40 CO 0.48 1.55 -0.68 -1.81 -1.61 0.00 0.00 179.24 177.16 2dmk s ASP 41 N -7.15 4.35 -0.12 2.28 1.01 -1.26 -4.89 116.67 110.89 2dmk s ASP 41 Ca -0.10 -2.60 0.16 0.00 0.71 0.00 0.00 52.55 50.72 2dmk s ASP 41 Cb 0.06 -1.50 0.27 0.00 1.01 0.00 0.00 42.92 42.75 2dmk s ASP 41 CO 0.87 -0.29 1.14 -1.84 0.21 0.00 0.00 175.17 175.25 2dmk n GLU 42 N 3.64 1.13 0.03 8.23 0.28 -1.26 -4.66 120.64 128.02 2dmk n GLU 42 Ca 0.05 -2.44 -0.01 0.00 -0.16 0.00 0.00 57.16 54.60 2dmk n GLU 42 Cb 0.36 -1.36 -0.09 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.20 0.99 -0.01 -1.84 3.01 -1.26 -4.29 117.46 112.85 2dmk n PHE 43 Ca 0.14 0.33 -0.21 0.00 1.01 0.00 0.00 57.45 58.72 2dmk n PHE 43 Cb 0.66 -1.10 -0.13 0.00 -0.01 0.00 0.00 39.48 38.90 2dmk n PHE 43 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2dmk h SER 44 N 0.00 0.32 -1.23 4.37 0.02 -2.01 -3.46 113.55 111.56 2dmk h SER 44 Ca -0.17 -0.82 -0.81 0.00 -0.84 0.00 0.00 61.79 59.15 2dmk h SER 44 Cb 1.62 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 64.07 2dmk h SER 44 CO 0.05 1.63 0.68 -0.38 -1.14 0.00 0.00 176.83 177.67 2dmk n ILE 45 N -3.94 0.10 -0.09 3.27 5.41 -1.26 -4.82 119.36 118.04 2dmk n ILE 45 Ca -0.27 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.35 2dmk n ILE 45 Cb 0.89 -0.71 -0.04 0.00 -0.71 0.00 0.00 39.64 39.06 2dmk n ILE 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dmk h SER 46 N 5.50 0.47 -5.00 4.38 0.02 -1.74 -3.47 113.55 113.70 2dmk h SER 46 Ca -0.46 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.13 2dmk h SER 46 Cb 1.36 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 2dmk h SER 46 CO 0.92 0.68 0.20 -0.94 -1.14 0.00 0.00 176.83 176.56 2dmk s SER 47 N -6.01 -0.60 0.10 3.07 1.04 -1.18 -5.04 113.70 105.09 2dmk s SER 47 Ca -0.14 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2dmk s SER 47 Cb 0.08 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2dmk s SER 47 CO 0.75 -0.84 0.16 -0.31 0.98 0.00 0.00 173.24 173.98 2dmk s TYR 48 N -2.84 3.32 -0.09 5.02 2.02 -0.99 -2.50 117.35 121.29 2dmk s TYR 48 Ca -0.03 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 2dmk s TYR 48 Cb -0.01 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2dmk s TYR 48 CO -0.05 0.54 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.28 2dmk s GLU 49 N -2.68 2.49 -0.26 -0.62 2.56 -0.26 -3.71 118.70 116.22 2dmk s GLU 49 Ca 0.32 -0.68 -0.08 0.00 0.00 0.00 0.00 54.97 54.53 2dmk s GLU 49 Cb -0.12 -1.95 -0.03 0.00 2.00 0.00 0.00 34.13 34.03 2dmk s GLU 49 CO 0.25 0.09 0.10 -1.17 -0.56 0.00 0.00 175.26 173.96 2dmk s LEU 50 N 0.56 3.57 -0.20 2.70 2.96 -1.25 -1.01 118.68 126.00 2dmk s LEU 50 Ca -0.15 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2dmk s LEU 50 Cb -0.17 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2dmk s LEU 50 CO 0.05 -0.04 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.84 2dmk s GLN 51 N 1.64 3.24 0.03 1.98 -0.21 -0.87 -2.46 119.66 123.02 2dmk s GLN 51 Ca 0.06 -0.70 0.03 0.00 0.02 0.00 0.00 55.36 54.77 2dmk s GLN 51 Cb -0.15 -2.85 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2dmk s GLN 51 CO 0.05 -0.19 -0.08 1.52 -2.12 0.00 0.00 175.29 174.47 2dmk s TYR 52 N 1.38 0.71 -0.08 0.91 1.13 -1.20 0.21 117.35 120.41 2dmk s TYR 52 Ca 0.05 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.07 2dmk s TYR 52 Cb -0.14 -0.43 0.06 0.00 -1.10 0.00 0.00 41.96 40.36 2dmk s TYR 52 CO -0.06 -0.04 0.63 -0.08 -2.51 0.00 0.00 175.55 173.49 2dmk s THR 53 N -0.96 0.01 0.23 -3.49 -1.32 -0.91 -3.06 115.64 106.13 2dmk s THR 53 Ca -0.05 -0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 2dmk s THR 53 Cb -0.08 -0.94 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 2dmk s THR 53 CO 0.00 -0.03 1.29 -0.63 -2.21 0.00 0.00 174.62 173.04 2dmk s ILE 54 N -0.96 3.15 -0.23 5.08 1.01 -1.26 -1.72 121.20 126.26 2dmk s ILE 54 Ca -0.10 0.99 -0.05 0.00 0.00 0.00 0.00 60.65 61.50 2dmk s ILE 54 Cb -0.01 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2dmk s ILE 54 CO 0.08 0.17 -0.01 0.12 0.00 0.00 0.00 174.94 175.30 2dmk s PHE 55 N -0.19 3.00 0.33 3.97 2.19 -1.17 -4.90 117.98 121.20 2dmk s PHE 55 Ca 0.54 -0.79 0.02 0.00 0.33 0.00 0.00 56.93 57.03 2dmk s PHE 55 Cb -0.37 -2.15 -0.01 0.00 -1.31 0.00 0.00 43.02 39.19 2dmk s PHE 55 CO 0.41 -0.49 0.07 0.25 1.83 0.00 0.00 175.22 177.28 2dmk n THR 56 N 4.84 0.00 -1.43 0.12 -2.24 -1.26 -4.51 114.28 109.79 2dmk n THR 56 Ca -0.17 -1.76 -0.40 0.00 -2.27 0.00 0.00 64.05 59.45 2dmk n THR 56 Cb 0.51 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2dmk n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmk n GLY 57 N 0.21 4.26 3.97 3.38 0.00 -1.26 -4.90 105.19 110.85 2dmk n GLY 57 Ca -0.08 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 2dmk n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmk s GLN 58 N 2.55 2.39 1.07 1.61 -0.21 -1.26 -5.09 119.66 120.72 2dmk s GLN 58 Ca 0.62 -1.69 -0.23 0.00 0.02 0.00 0.00 55.36 54.08 2dmk s GLN 58 Cb 0.17 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 2dmk s GLN 58 CO -0.07 -0.61 -0.71 0.00 -2.12 0.00 0.00 175.29 171.78 2dmk n ALA 59 N -1.95 -4.94 -0.96 6.09 0.00 -1.26 -4.77 120.51 112.73 2dmk n ALA 59 Ca 0.08 -1.34 -0.30 0.00 0.00 0.00 0.00 53.44 51.87 2dmk n ALA 59 Cb 0.62 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.89 2dmk n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dmk n ASN 60 N 0.67 -2.80 -0.13 0.00 4.13 -1.26 -4.76 115.26 111.12 2dmk n ASN 60 Ca -0.01 0.51 -0.04 0.00 1.68 0.00 0.00 54.58 56.73 2dmk n ASN 60 Cb 0.69 -0.66 0.04 0.00 -1.54 0.00 0.00 39.78 38.31 2dmk n ASN 60 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2dmk h PHE 61 N 0.01 0.04 -0.93 3.10 3.57 -2.00 -1.93 116.94 118.80 2dmk h PHE 61 Ca -0.31 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.46 2dmk h PHE 61 Cb 1.12 0.05 -0.17 0.00 2.79 0.00 0.00 35.95 39.73 2dmk h PHE 61 CO 0.18 -0.05 0.01 0.82 -2.23 0.00 0.00 178.31 177.04 2dmk h ILE 62 N 0.15 0.10 0.00 1.41 1.08 -1.97 0.50 117.51 118.79 2dmk h ILE 62 Ca 0.21 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 2dmk h ILE 62 Cb 0.29 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 2dmk h ILE 62 CO -0.32 0.01 0.00 -1.20 -0.69 0.00 0.00 178.15 175.95 2dmk n SER 63 N -5.45 0.00 0.11 1.72 7.64 -0.72 0.94 113.62 117.85 2dmk n SER 63 Ca 0.21 0.95 -0.13 0.00 1.01 0.00 0.00 58.87 60.91 2dmk n SER 63 Cb 0.68 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2dmk n SER 63 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2dmk h LEU 64 N 0.00 -0.39 -1.78 -3.43 5.85 -1.47 -1.80 115.31 112.29 2dmk h LEU 64 Ca 0.00 0.04 0.31 0.00 0.84 0.00 0.00 57.88 59.07 2dmk h LEU 64 Cb 0.00 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 2dmk h LEU 64 CO 0.00 -0.22 0.77 0.22 -0.34 0.00 0.00 178.44 178.87 2dmk h TYR 65 N -0.31 0.22 -0.58 1.25 3.20 -0.59 0.49 116.97 120.65 2dmk h TYR 65 Ca 0.01 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2dmk h TYR 65 Cb 0.30 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2dmk h TYR 65 CO -0.14 0.02 0.12 -0.97 -1.64 0.00 0.00 178.16 175.55 2dmk h ASN 66 N 0.13 0.86 -0.72 -2.11 -0.73 0.15 -2.88 115.58 110.28 2dmk h ASN 66 Ca 0.56 -0.17 -0.40 0.00 1.87 0.00 0.00 56.30 58.16 2dmk h ASN 66 Cb 1.96 -0.23 -0.15 0.00 0.27 0.00 0.00 38.32 40.17 2dmk h ASN 66 CO -0.11 0.85 0.36 -1.54 -0.37 0.00 0.00 177.43 176.63 2dmk n SER 67 N -4.25 6.40 0.11 1.15 3.41 0.17 -4.59 113.62 116.03 2dmk n SER 67 Ca 0.04 -3.10 0.06 0.00 -0.26 0.00 0.00 58.87 55.62 2dmk n SER 67 Cb 0.25 -1.16 0.33 0.00 -0.26 0.00 0.00 64.21 63.37 2dmk n SER 67 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2dmk n VAL 68 N 0.71 1.09 0.19 -3.33 3.14 -1.09 -1.21 118.33 117.83 2dmk n VAL 68 Ca 0.39 0.67 0.02 0.00 -2.96 0.00 0.00 64.34 62.46 2dmk n VAL 68 Cb 0.58 -1.67 0.11 0.00 -1.06 0.00 0.00 33.84 31.81 2dmk n VAL 68 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2dmk n ASP 69 N -1.93 0.00 -0.10 6.55 9.92 -1.26 -2.12 116.55 127.61 2dmk n ASP 69 Ca -0.01 0.37 -0.13 0.00 -0.53 0.00 0.00 54.79 54.49 2dmk n ASP 69 Cb 0.14 -0.40 -0.09 0.00 -0.64 0.00 0.00 41.12 40.13 2dmk n ASP 69 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2dmk n SER 70 N -1.40 2.40 -3.34 -2.24 2.88 -0.35 -5.02 113.62 106.54 2dmk n SER 70 Ca 0.02 -0.10 -0.31 0.00 -1.33 0.00 0.00 58.87 57.15 2dmk n SER 70 Cb 0.05 -0.24 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 2dmk n SER 70 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2dmk n TRP 71 N -3.04 -2.33 -2.95 0.66 7.02 -0.90 -4.90 117.44 110.99 2dmk n TRP 71 Ca -0.34 0.35 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 2dmk n TRP 71 Cb 0.88 -1.32 -0.04 0.00 -2.42 0.00 0.00 31.31 28.40 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 -0.81 3.86 -0.07 -0.99 -1.94 -1.17 -5.00 119.30 113.17 2dmk s MET 72 Ca 0.44 0.54 -0.08 0.00 -1.71 0.00 0.00 55.69 54.89 2dmk s MET 72 Cb -0.39 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.07 2dmk s MET 72 CO 0.52 0.03 0.22 0.42 -0.01 0.00 0.00 175.02 176.20 2dmk s ILE 73 N -2.24 0.01 -0.38 2.53 1.09 -1.26 -3.22 121.20 117.74 2dmk s ILE 73 Ca 0.52 -0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.97 2dmk s ILE 73 Cb -0.10 -0.35 0.12 0.00 -1.06 0.00 0.00 42.46 41.07 2dmk s ILE 73 CO 0.26 -0.06 0.18 -0.69 -0.10 0.00 0.00 174.94 174.54 2dmk s VAL 74 N -0.15 1.04 0.04 2.92 1.01 -1.03 -4.99 120.40 119.24 2dmk s VAL 74 Ca -0.03 -2.02 -0.01 0.00 0.00 0.00 0.00 61.98 59.93 2dmk s VAL 74 Cb -0.02 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2dmk s VAL 74 CO 0.01 -0.83 0.04 -0.81 0.00 0.00 0.00 175.10 173.50 2dmk n PRO 75 N 4.09 -1.10 -3.16 2.72 -0.04 -1.26 -3.85 135.00 132.40 2dmk n PRO 75 Ca 0.05 -0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2dmk n PRO 75 Cb 0.37 -0.05 0.05 0.00 -0.04 0.00 0.00 33.50 33.83 2dmk n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmk n ASN 76 N -3.06 -6.05 -4.39 3.54 3.02 -1.26 -4.96 115.26 102.10 2dmk n ASN 76 Ca 0.00 -0.35 -0.44 0.00 -0.03 0.00 0.00 54.58 53.76 2dmk n ASN 76 Cb 0.02 -4.81 -0.07 0.00 -0.61 0.00 0.00 39.78 34.31 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmk s ILE 77 N -3.21 5.20 -0.31 2.41 1.01 -1.24 -4.91 121.20 120.15 2dmk s ILE 77 Ca 0.38 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2dmk s ILE 77 Cb -0.17 -4.16 0.46 0.00 0.01 0.00 0.00 42.46 38.60 2dmk s ILE 77 CO 0.47 -0.62 1.29 0.29 0.00 0.00 0.00 174.94 176.37 2dmk n LYS 78 N 5.31 2.99 -4.45 2.79 4.76 -1.26 -2.35 118.16 125.94 2dmk n LYS 78 Ca -0.12 -3.84 -0.24 0.00 -2.87 0.00 0.00 58.31 51.24 2dmk n LYS 78 Cb 0.44 -2.11 -0.08 0.00 -1.84 0.00 0.00 35.03 31.43 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 -3.52 1.87 -0.06 1.97 -2.07 -1.26 -5.05 119.66 111.55 2dmk s GLN 79 Ca 0.49 -2.13 0.19 0.00 -1.82 0.00 0.00 55.36 52.09 2dmk s GLN 79 Cb 0.41 -0.35 0.62 0.00 -1.09 0.00 0.00 33.01 32.60 2dmk s GLN 79 CO 0.01 -0.52 1.53 0.09 -1.32 0.00 0.00 175.29 175.08 2dmk n ASN 80 N -1.35 4.15 -3.51 12.60 4.13 -1.26 -4.90 115.26 125.12 2dmk n ASN 80 Ca -0.02 -2.24 0.00 0.00 1.68 0.00 0.00 54.58 54.00 2dmk n ASN 80 Cb 0.64 -0.49 -0.05 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.45 -0.47 -0.16 3.10 -3.43 -1.26 -2.53 115.29 109.08 2dmk s HIS 81 Ca 0.46 0.88 -0.00 0.00 -0.80 0.00 0.00 55.06 55.59 2dmk s HIS 81 Cb 0.27 0.28 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2dmk s HIS 81 CO 0.26 -0.23 -0.14 -0.47 -2.00 0.00 0.00 174.74 172.16 2dmk s TYR 82 N 1.76 2.81 -0.52 0.38 6.14 -1.19 -4.95 117.35 121.77 2dmk s TYR 82 Ca -0.06 -1.03 -0.26 0.00 0.64 0.00 0.00 57.07 56.37 2dmk s TYR 82 Cb -0.04 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.46 2dmk s TYR 82 CO -0.15 -0.48 0.99 0.99 0.64 0.00 0.00 175.55 177.54 2dmk s THR 83 N 0.90 4.34 -0.49 4.34 2.01 -1.26 -3.49 115.64 121.98 2dmk s THR 83 Ca -0.03 0.60 -0.28 0.00 0.31 0.00 0.00 61.69 62.29 2dmk s THR 83 Cb -0.15 -4.54 0.03 0.00 0.01 0.00 0.00 72.50 67.85 2dmk s THR 83 CO -0.01 -1.06 1.11 -0.69 -0.69 0.00 0.00 174.62 173.28 2dmk s VAL 84 N 4.10 4.22 -0.11 3.82 1.01 -0.30 -4.92 120.40 128.23 2dmk s VAL 84 Ca 0.36 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 63.40 2dmk s VAL 84 Cb -0.10 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2dmk s VAL 84 CO 0.23 -1.03 0.13 -1.00 0.00 0.00 0.00 175.10 173.44 2dmk s HIS 85 N 4.41 3.55 0.00 5.22 3.76 -1.26 -2.32 115.29 128.64 2dmk s HIS 85 Ca 0.46 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 2dmk s HIS 85 Cb -0.08 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2dmk s HIS 85 CO 0.31 0.70 0.00 0.41 -0.85 0.00 0.00 174.74 175.31 2dmk n GLY 86 N 1.90 0.91 2.18 -2.22 0.00 -0.84 -5.02 105.19 102.10 2dmk n GLY 86 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.53 0.99 4.77 -0.92 -5.02 117.00 112.30 2dmk n LEU 87 Ca 0.00 -1.57 -0.33 0.00 -0.03 0.00 0.00 56.01 54.08 2dmk n LEU 87 Cb 0.00 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 2dmk n LEU 87 CO 0.00 -0.49 -0.42 -1.10 -1.33 0.00 0.00 177.39 174.05 2dmk s GLN 88 N -3.34 2.61 0.48 3.23 -0.21 -1.26 -4.44 119.66 116.73 2dmk s GLN 88 Ca 0.23 -0.63 -0.23 0.00 0.02 0.00 0.00 55.36 54.75 2dmk s GLN 88 Cb -0.02 -2.48 -0.07 0.00 1.00 0.00 0.00 33.01 31.45 2dmk s GLN 88 CO 0.14 0.64 1.22 -1.54 -2.12 0.00 0.00 175.29 173.63 2dmk s SER 89 N -0.80 5.92 -1.32 5.90 1.04 -0.62 -3.49 113.70 120.32 2dmk s SER 89 Ca 0.12 2.43 -0.10 0.00 0.48 0.00 0.00 55.95 58.87 2dmk s SER 89 Cb -0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2dmk s SER 89 CO 0.01 -1.10 0.51 0.61 0.98 0.00 0.00 173.24 174.25 2dmk n GLY 90 N 0.52 -0.50 2.88 7.32 0.00 -1.15 -4.96 105.19 109.30 2dmk n GLY 90 Ca 0.08 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.82 0.04 0.42 2.61 2.01 -1.23 -4.94 115.64 110.73 2dmk s THR 91 Ca 0.20 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 2dmk s THR 91 Cb -0.08 -0.05 -0.08 0.00 0.01 0.00 0.00 72.50 72.29 2dmk s THR 91 CO 0.91 -0.03 1.12 -0.13 -0.69 0.00 0.00 174.62 175.80 2dmk s ARG 92 N -0.11 4.01 -0.15 4.92 0.52 -1.26 -3.22 118.95 123.65 2dmk s ARG 92 Ca -0.01 1.69 -0.06 0.00 -0.52 0.00 0.00 55.73 56.83 2dmk s ARG 92 Cb -0.01 -2.55 0.07 0.00 0.52 0.00 0.00 34.95 32.98 2dmk s ARG 92 CO -0.00 -0.32 0.33 0.71 0.02 0.00 0.00 175.30 176.04 2dmk s TYR 93 N -1.54 -0.56 -0.18 -0.53 2.02 0.23 -3.05 117.35 113.74 2dmk s TYR 93 Ca 0.59 1.17 -0.14 0.00 -0.37 0.00 0.00 57.07 58.32 2dmk s TYR 93 Cb -0.27 0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2dmk s TYR 93 CO 0.33 -0.38 0.33 0.42 -1.57 0.00 0.00 175.55 174.68 2dmk s ILE 94 N 2.24 5.26 -0.05 2.71 1.01 -0.70 -0.02 121.20 131.65 2dmk s ILE 94 Ca -0.02 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2dmk s ILE 94 Cb -0.11 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2dmk s ILE 94 CO -0.10 0.33 -0.14 -0.36 0.00 0.00 0.00 174.94 174.67 2dmk s PHE 95 N 0.87 2.72 -0.24 3.97 0.40 -0.51 -2.15 117.98 123.04 2dmk s PHE 95 Ca 0.17 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 2dmk s PHE 95 Cb -0.14 -1.63 0.09 0.00 0.51 0.00 0.00 43.02 41.85 2dmk s PHE 95 CO 0.06 0.20 0.17 0.42 0.70 0.00 0.00 175.22 176.77 2dmk s ILE 96 N -0.75 -0.19 -0.05 0.64 1.01 0.13 -1.28 121.20 120.72 2dmk s ILE 96 Ca 0.12 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 2dmk s ILE 96 Cb -0.11 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2dmk s ILE 96 CO 0.01 -0.44 0.84 -0.69 0.00 0.00 0.00 174.94 174.66 2dmk s VAL 97 N 2.21 4.95 -0.14 2.92 1.01 -1.26 -2.05 120.40 128.04 2dmk s VAL 97 Ca 0.07 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.79 2dmk s VAL 97 Cb -0.16 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2dmk s VAL 97 CO -0.22 0.18 -0.18 -0.75 0.00 0.00 0.00 175.10 174.13 2dmk s LYS 98 N 1.05 2.62 -0.18 2.72 2.20 -0.18 -2.09 119.74 125.88 2dmk s LYS 98 Ca 0.44 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 55.16 2dmk s LYS 98 Cb -0.19 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 2dmk s LYS 98 CO 0.22 -0.12 0.55 0.00 -0.36 0.00 0.00 175.35 175.64 2dmk s ALA 99 N 1.12 3.52 -0.04 3.13 0.00 -1.02 -1.11 121.76 127.37 2dmk s ALA 99 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2dmk s ALA 99 Cb -0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2dmk s ALA 99 CO -0.06 -0.40 -0.13 0.42 0.00 0.00 0.00 175.76 175.58 2dmk s ILE 100 N 1.54 3.14 0.18 0.00 1.09 -1.04 -2.08 121.20 124.04 2dmk s ILE 100 Ca 0.26 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 59.04 2dmk s ILE 100 Cb -0.16 -2.26 0.01 0.00 -1.06 0.00 0.00 42.46 38.99 2dmk s ILE 100 CO 0.10 0.54 0.26 -0.46 -0.10 0.00 0.00 174.94 175.29 2dmk n ASN 101 N 2.14 -0.72 -0.02 3.58 6.94 -0.29 -1.96 115.26 124.92 2dmk n ASN 101 Ca -0.17 -1.99 0.05 0.00 -0.02 0.00 0.00 54.58 52.46 2dmk n ASN 101 Cb 0.52 1.35 0.44 0.00 -2.36 0.00 0.00 39.78 39.72 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 0.52 0.00 -3.83 4.15 -1.97 -3.22 115.11 110.75 2dmk h GLN 102 Ca -0.14 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2dmk h GLN 102 Cb 0.62 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2dmk h GLN 102 CO 0.19 0.34 0.00 0.00 -1.93 0.00 0.00 178.83 177.44 2dmk n ALA 103 N -2.48 -0.22 -2.02 3.38 0.00 -1.26 -5.07 120.51 112.85 2dmk n ALA 103 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2dmk n ALA 103 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 0.63 3.29 3.41 0.00 0.00 -1.22 -4.99 105.19 106.31 2dmk n GLY 104 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2dmk n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmk s SER 105 N 2.00 -0.48 -0.09 1.61 0.01 -1.26 -1.14 113.70 114.35 2dmk s SER 105 Ca 0.00 0.69 -0.01 0.00 1.31 0.00 0.00 55.95 57.94 2dmk s SER 105 Cb 0.00 0.71 0.03 0.00 0.21 0.00 0.00 66.02 66.96 2dmk s SER 105 CO 0.00 -0.39 -0.04 -0.60 0.41 0.00 0.00 173.24 172.62 2dmk s ARG 106 N -0.61 1.13 -0.09 12.44 6.06 -0.88 -4.90 118.95 132.09 2dmk s ARG 106 Ca -0.07 -0.10 -0.18 0.00 -2.50 0.00 0.00 55.73 52.88 2dmk s ARG 106 Cb -0.03 -1.31 -0.05 0.00 0.06 0.00 0.00 34.95 33.62 2dmk s ARG 106 CO 0.04 -0.28 0.48 0.54 -2.50 0.00 0.00 175.30 173.59 2dmk s ASN 107 N 1.79 6.73 0.81 -2.12 4.22 -1.26 -2.45 114.94 122.66 2dmk s ASN 107 Ca 0.04 0.87 -0.11 0.00 -2.14 0.00 0.00 52.86 51.52 2dmk s ASN 107 Cb -0.12 -2.29 0.10 0.00 1.28 0.00 0.00 41.25 40.22 2dmk s ASN 107 CO -0.07 0.06 1.17 -0.55 -2.04 0.00 0.00 177.10 175.67 2dmk s SER 108 N 0.28 4.31 0.61 3.54 0.15 -0.89 -4.98 113.70 116.72 2dmk s SER 108 Ca 0.26 0.59 -0.18 0.00 0.70 0.00 0.00 55.95 57.32 2dmk s SER 108 Cb -0.16 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.10 2dmk s SER 108 CO 0.11 -2.00 1.18 -1.61 1.20 0.00 0.00 173.24 172.13 2dmk s GLU 109 N -5.56 2.89 -0.22 5.44 0.41 -1.26 -4.75 118.70 115.65 2dmk s GLU 109 Ca 0.64 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.64 2dmk s GLU 109 Cb -0.09 -1.93 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2dmk s GLU 109 CO 0.49 -1.25 1.61 -1.25 -0.49 0.00 0.00 175.26 174.37 2dmk s PRO 110 N -3.50 3.79 -0.51 0.39 0.04 -1.26 -4.73 135.00 129.22 2dmk s PRO 110 Ca 0.75 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 2dmk s PRO 110 Cb -0.28 -4.03 0.10 0.00 0.04 0.00 0.00 34.50 30.33 2dmk s PRO 110 CO 0.35 -1.30 0.47 0.99 0.04 0.00 0.00 177.00 177.55 2dmk s THR 111 N 5.20 5.19 -0.02 1.26 2.01 -0.40 -4.92 115.64 123.96 2dmk s THR 111 Ca 0.71 -1.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2dmk s THR 111 Cb -0.25 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2dmk s THR 111 CO 0.29 -0.75 1.20 -0.13 -0.69 0.00 0.00 174.62 174.54 2dmk s ARG 112 N 1.71 4.38 0.26 4.92 0.52 -1.26 -1.43 118.95 128.05 2dmk s ARG 112 Ca 0.04 1.69 0.09 0.00 -0.52 0.00 0.00 55.73 57.04 2dmk s ARG 112 Cb -0.27 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 2dmk s ARG 112 CO 0.05 -0.39 -0.15 -0.51 0.02 0.00 0.00 175.30 174.32 2dmk s LEU 113 N 1.90 2.58 -0.04 2.53 1.43 0.96 -4.96 118.68 123.09 2dmk s LEU 113 Ca 0.57 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2dmk s LEU 113 Cb -0.26 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.11 2dmk s LEU 113 CO 0.24 -0.12 -0.02 -0.54 0.23 0.00 0.00 176.35 176.15 2dmk s LYS 114 N -3.60 0.51 0.81 1.70 1.02 -1.26 -0.60 119.74 118.32 2dmk s LYS 114 Ca 0.28 0.01 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 2dmk s LYS 114 Cb -0.01 -0.62 0.08 0.00 -0.52 0.00 0.00 37.83 36.75 2dmk s LYS 114 CO 0.12 -0.11 1.16 0.95 -0.92 0.00 0.00 175.35 176.54 2dmk s THR 115 N 0.99 2.23 0.18 2.17 -4.23 -1.20 -4.78 115.64 111.00 2dmk s THR 115 Ca -0.10 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 2dmk s THR 115 Cb -0.14 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 2dmk s THR 115 CO -0.01 -0.10 0.90 0.54 -0.54 0.00 0.00 174.62 175.41 2dmk s ASN 116 N -4.44 7.53 0.06 3.99 2.20 -1.26 -4.12 114.94 118.91 2dmk s ASN 116 Ca 0.62 1.81 -0.12 0.00 -0.94 0.00 0.00 52.86 54.23 2dmk s ASN 116 Cb -0.12 -2.57 -0.03 0.00 -2.00 0.00 0.00 41.25 36.53 2dmk s ASN 116 CO 0.50 0.10 0.89 -1.20 -2.94 0.00 0.00 177.10 174.45 2dmk n SER 117 N 1.93 -0.42 -4.21 3.54 7.64 -1.26 -2.93 113.62 117.91 2dmk n SER 117 Ca -0.02 0.98 -0.12 0.00 1.01 0.00 0.00 58.87 60.72 2dmk n SER 117 Cb 0.48 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dmk s GLN 118 N -4.36 1.00 0.65 1.43 -0.21 -1.26 -3.68 119.66 113.23 2dmk s GLN 118 Ca -0.05 -1.46 -0.11 0.00 0.02 0.00 0.00 55.36 53.76 2dmk s GLN 118 Cb 0.04 -0.19 0.16 0.00 1.00 0.00 0.00 33.01 34.02 2dmk s GLN 118 CO 0.24 -0.11 0.57 -0.35 -2.12 0.00 0.00 175.29 173.53 2dmk n PRO 119 N -0.16 -2.14 -1.88 2.91 -0.04 -1.26 -4.77 135.00 127.65 2dmk n PRO 119 Ca -0.08 -0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 62.04 2dmk n PRO 119 Cb 0.62 -0.86 -0.03 0.00 -0.04 0.00 0.00 33.50 33.20 2dmk n PRO 119 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dmk s PHE 120 N -2.04 2.99 -0.13 0.54 2.19 -1.26 -5.00 117.98 115.27 2dmk s PHE 120 Ca 0.37 0.64 -0.05 0.00 0.33 0.00 0.00 56.93 58.22 2dmk s PHE 120 Cb -0.04 -3.98 -0.04 0.00 -1.31 0.00 0.00 43.02 37.66 2dmk s PHE 120 CO 0.29 -3.53 0.07 0.21 1.83 0.00 0.00 175.22 174.09 2dmk s LYS 121 N 0.73 3.45 0.65 10.12 2.20 -1.26 -5.08 119.74 130.54 2dmk s LYS 121 Ca 0.69 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.83 2dmk s LYS 121 Cb -0.45 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2dmk s LYS 121 CO 0.35 0.61 1.26 -1.13 -0.36 0.00 0.00 175.35 176.08 2dmk n SER 122 N 2.49 1.91 0.00 1.43 3.41 -1.26 -4.98 113.62 116.62 2dmk n SER 122 Ca -0.18 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2dmk n SER 122 Cb 0.54 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2dmk n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmk n GLY 123 N 0.95 2.41 0.73 5.00 0.00 -1.26 -5.18 105.19 107.84 2dmk n GLY 123 Ca 0.16 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 2dmk n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmk n PRO 124 N 0.00 -1.47 -3.58 1.61 -0.04 -1.26 -5.10 135.00 125.16 2dmk n PRO 124 Ca 0.00 -0.36 -0.06 0.00 -0.04 0.00 0.00 63.50 63.04 2dmk n PRO 124 Cb 0.00 -0.34 -0.03 0.00 -0.04 0.00 0.00 33.50 33.09 2dmk n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmk s SER 125 N -2.12 -0.21 0.00 3.54 0.15 -1.26 -5.04 113.70 108.76 2dmk s SER 125 Ca 0.15 0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.94 2dmk s SER 125 Cb -0.01 0.21 0.12 0.00 -1.71 0.00 0.00 66.02 64.62 2dmk s SER 125 CO 0.11 -0.30 0.98 -1.54 1.20 0.00 0.00 173.24 173.69 2dmk n SER 126 N 0.11 2.14 0.00 5.45 3.41 -1.26 -5.38 113.62 118.09 2dmk n SER 126 Ca -0.03 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2dmk n SER 126 Cb 0.59 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49