#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 1.92 0.05 1.61 0.15 -1.26 -5.03 113.70 111.14 2dmk s SER 2 Ca 0.00 -0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.03 2dmk s SER 2 Cb 0.00 -0.19 -0.17 0.00 -1.71 0.00 0.00 66.02 63.95 2dmk s SER 2 CO 0.00 0.16 1.53 0.77 1.20 0.00 0.00 173.24 176.90 2dmk h SER 3 N 5.45 -0.29 -1.42 5.45 4.64 -2.04 -3.46 113.55 121.88 2dmk h SER 3 Ca -0.37 -0.09 0.21 0.00 -0.47 0.00 0.00 61.79 61.07 2dmk h SER 3 Cb 1.16 0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 63.02 2dmk h SER 3 CO 0.47 -0.09 0.63 -0.83 -0.87 0.00 0.00 176.83 176.14 2dmk s GLY 4 N -2.39 0.43 -0.78 -0.77 0.00 -1.26 -5.10 107.32 97.45 2dmk s GLY 4 Ca -0.15 3.70 -0.26 0.00 0.00 0.00 0.00 44.72 48.01 2dmk s GLY 4 CO 0.62 2.98 1.55 -0.56 0.00 0.00 0.00 173.10 177.70 2dmk s SER 5 N 1.46 5.86 0.15 1.64 0.01 -1.26 -4.98 113.70 116.58 2dmk s SER 5 Ca -0.05 -0.46 -0.15 0.00 1.31 0.00 0.00 55.95 56.59 2dmk s SER 5 Cb -0.02 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 2dmk s SER 5 CO -0.13 -2.04 0.58 -0.55 0.41 0.00 0.00 173.24 171.51 2dmk s SER 6 N 5.71 6.87 -0.23 2.44 0.15 -1.26 -5.04 113.70 122.35 2dmk s SER 6 Ca 0.50 1.14 -0.29 0.00 0.70 0.00 0.00 55.95 58.00 2dmk s SER 6 Cb -0.08 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2dmk s SER 6 CO 0.10 0.10 1.10 -0.83 1.20 0.00 0.00 173.24 174.90 2dmk s GLY 7 N -1.67 1.67 0.12 9.45 0.00 -1.26 -4.93 107.32 110.70 2dmk s GLY 7 Ca 0.38 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 45.11 2dmk s GLY 7 CO 0.19 2.27 1.11 -2.21 0.00 0.00 0.00 173.10 174.46 2dmk n GLU 8 N 6.45 -0.29 0.00 2.90 4.07 -1.26 -4.84 120.64 127.66 2dmk n GLU 8 Ca 0.12 1.09 0.00 0.00 -0.06 0.00 0.00 57.16 58.31 2dmk n GLU 8 Cb 0.46 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dmk n GLY 9 N -1.21 3.18 0.03 8.31 0.00 -1.26 -4.74 105.19 109.51 2dmk n GLY 9 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.16 2dmk n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 10 N 0.00 0.00 -1.99 0.99 7.99 -1.26 -4.97 117.00 117.75 2dmk n LEU 10 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 2dmk n LEU 10 Cb 0.00 0.16 -0.01 0.00 -0.11 0.00 0.00 43.42 43.46 2dmk n LEU 10 CO 0.00 0.16 -0.05 -0.67 -1.51 0.00 0.00 177.39 175.32 2dmk n ASP 11 N -2.24 -1.63 -4.24 -1.43 2.03 -1.26 -4.80 116.55 102.97 2dmk n ASP 11 Ca -0.12 0.29 -0.37 0.00 0.52 0.00 0.00 54.79 55.11 2dmk n ASP 11 Cb 0.64 -1.61 0.04 0.00 -0.72 0.00 0.00 41.12 39.47 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmk n TYR 12 N -2.25 -2.92 -0.10 -0.67 4.19 -1.26 -4.85 117.16 109.31 2dmk n TYR 12 Ca -0.05 0.29 -0.14 0.00 3.31 0.00 0.00 57.90 61.32 2dmk n TYR 12 Cb 0.39 -1.68 -0.04 0.00 0.49 0.00 0.00 39.34 38.50 2dmk n TYR 12 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2dmk h LEU 13 N -0.39 0.94 -0.74 2.98 6.46 -2.02 -3.21 115.31 119.33 2dmk h LEU 13 Ca -0.43 -0.50 0.27 0.00 -0.12 0.00 0.00 57.88 57.10 2dmk h LEU 13 Cb 1.38 -0.27 -0.09 0.00 -0.73 0.00 0.00 40.66 40.95 2dmk h LEU 13 CO 0.37 1.25 0.45 1.07 -0.62 0.00 0.00 178.44 180.96 2dmk n THR 14 N -4.09 -0.18 -3.75 1.05 5.66 -1.26 -3.97 114.28 107.74 2dmk n THR 14 Ca -0.03 1.11 -0.13 0.00 -3.05 0.00 0.00 64.05 61.94 2dmk n THR 14 Cb 0.56 -1.81 -0.14 0.00 -1.55 0.00 0.00 70.33 67.39 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 -4.69 -0.36 0.25 1.79 0.00 -1.21 -3.70 121.76 113.84 2dmk s ALA 15 Ca -0.05 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 2dmk s ALA 15 Cb 0.19 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 2dmk s ALA 15 CO 0.48 -0.16 1.27 -1.25 0.00 0.00 0.00 175.76 176.10 2dmk s PRO 16 N 1.08 4.42 0.40 0.00 0.04 -1.25 -4.56 135.00 135.14 2dmk s PRO 16 Ca -0.08 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 16 Cb -0.10 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 2dmk s PRO 16 CO -0.06 -0.15 1.35 0.09 0.04 0.00 0.00 177.00 178.26 2dmk n ASN 17 N 1.87 2.97 -4.68 6.66 4.13 -1.26 -4.39 115.26 120.56 2dmk n ASN 17 Ca 0.03 1.15 -0.42 0.00 1.68 0.00 0.00 54.58 57.02 2dmk n ASN 17 Cb 0.43 -1.54 -0.03 0.00 -1.54 0.00 0.00 39.78 37.10 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmk s PRO 18 N -2.17 4.25 0.46 3.52 0.04 -1.26 -4.85 135.00 134.98 2dmk s PRO 18 Ca 0.58 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.41 2dmk s PRO 18 Cb -0.50 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 30.30 2dmk s PRO 18 CO 0.60 -0.65 1.17 -1.25 0.04 0.00 0.00 177.00 176.90 2dmk s PRO 19 N 2.79 3.78 -0.25 0.56 0.04 -1.26 -5.03 135.00 135.62 2dmk s PRO 19 Ca 0.66 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 63.39 2dmk s PRO 19 Cb -0.32 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 2dmk s PRO 19 CO 0.27 -0.54 0.11 -1.12 0.04 0.00 0.00 177.00 175.76 2dmk s SER 20 N -1.34 5.49 -0.24 6.66 0.01 -0.86 -4.71 113.70 118.71 2dmk s SER 20 Ca 0.63 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 57.52 2dmk s SER 20 Cb -0.29 -2.00 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 2dmk s SER 20 CO 0.35 -0.02 0.89 -0.63 0.41 0.00 0.00 173.24 174.23 2dmk s ILE 21 N 1.56 4.79 -0.19 1.44 1.01 -1.26 -0.19 121.20 128.37 2dmk s ILE 21 Ca 0.06 1.70 -0.22 0.00 0.00 0.00 0.00 60.65 62.20 2dmk s ILE 21 Cb -0.15 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 2dmk s ILE 21 CO 0.06 -0.10 0.66 -0.13 0.00 0.00 0.00 174.94 175.43 2dmk s ARG 22 N 2.91 4.23 0.09 2.79 1.81 0.77 -4.90 118.95 126.64 2dmk s ARG 22 Ca 0.38 0.69 0.15 0.00 -1.72 0.00 0.00 55.73 55.22 2dmk s ARG 22 Cb -0.15 -3.57 -0.12 0.00 -0.45 0.00 0.00 34.95 30.65 2dmk s ARG 22 CO 0.07 -0.24 0.94 0.93 -0.68 0.00 0.00 175.30 176.32 2dmk h GLU 23 N 7.43 0.00 0.00 3.54 3.07 -1.91 -2.71 114.58 124.00 2dmk h GLU 23 Ca -0.31 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.52 2dmk h GLU 23 Cb 1.14 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2dmk h GLU 23 CO 0.78 0.42 -0.15 1.05 -1.40 0.00 0.00 179.01 179.71 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.97 -3.22 114.58 115.83 2dmk h GLU 24 Ca -0.14 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.96 2dmk h GLU 24 Cb 1.64 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.83 2dmk h GLU 24 CO 0.06 0.15 -2.15 1.28 0.07 0.00 0.00 179.01 178.42 2dmk n LEU 25 N -3.19 0.26 -4.78 3.06 4.77 -1.25 -4.95 117.00 110.93 2dmk n LEU 25 Ca 0.02 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 2dmk n LEU 25 Cb 0.50 0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.94 2dmk n LEU 25 CO 0.34 0.43 0.78 0.00 -1.33 0.00 0.00 177.39 177.61 2dmk s THR 27 N -1.68 2.02 -0.03 0.00 -4.23 -0.33 -4.92 115.64 106.48 2dmk s THR 27 Ca 0.65 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2dmk s THR 27 Cb -0.24 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 2dmk s THR 27 CO 0.29 -0.36 -0.13 0.00 -0.54 0.00 0.00 174.62 173.89 2dmk s ALA 28 N -2.78 1.14 0.22 3.99 0.00 -1.26 -1.93 121.76 121.14 2dmk s ALA 28 Ca 0.29 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2dmk s ALA 28 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2dmk s ALA 28 CO 0.13 0.22 0.01 -1.12 0.00 0.00 0.00 175.76 175.00 2dmk s SER 29 N -0.02 1.62 0.00 0.00 0.01 0.32 -4.39 113.70 111.25 2dmk s SER 29 Ca -0.01 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2dmk s SER 29 Cb -0.08 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dmk s SER 29 CO 0.01 -0.55 0.59 0.00 0.41 0.00 0.00 173.24 173.69 2dmk n HIS 30 N -0.39 0.00 -1.74 2.43 1.44 -1.26 -2.66 115.22 113.03 2dmk n HIS 30 Ca -0.05 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.57 2dmk n HIS 30 Cb 0.64 -0.21 0.12 0.00 0.12 0.00 0.00 29.99 30.67 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 -1.90 3.39 -3.68 4.39 5.68 -1.26 -2.61 116.55 120.56 2dmk n ASP 31 Ca 0.00 -3.82 -0.13 0.00 -0.50 0.00 0.00 54.79 50.34 2dmk n ASP 31 Cb 0.00 -0.48 -0.07 0.00 -1.14 0.00 0.00 41.12 39.43 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dmk s THR 32 N -3.87 0.06 -0.20 2.12 -4.23 -1.09 -1.32 115.64 107.11 2dmk s THR 32 Ca 0.45 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 60.29 2dmk s THR 32 Cb 0.40 -0.94 0.05 0.00 1.34 0.00 0.00 72.50 73.35 2dmk s THR 32 CO -0.01 -0.27 0.54 -0.63 -0.54 0.00 0.00 174.62 173.70 2dmk s ILE 33 N -2.46 -0.00 -0.31 2.99 1.01 -1.12 0.12 121.20 121.43 2dmk s ILE 33 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2dmk s ILE 33 Cb -0.01 -0.75 0.05 0.00 0.01 0.00 0.00 42.46 41.76 2dmk s ILE 33 CO -0.02 0.00 0.02 -0.89 0.00 0.00 0.00 174.94 174.05 2dmk s THR 34 N 0.46 3.09 -0.08 2.92 2.01 -0.81 -1.53 115.64 121.70 2dmk s THR 34 Ca -0.01 -1.36 -0.13 0.00 0.31 0.00 0.00 61.69 60.49 2dmk s THR 34 Cb -0.04 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2dmk s THR 34 CO -0.02 -0.13 0.33 -0.69 -0.69 0.00 0.00 174.62 173.43 2dmk s VAL 35 N 1.27 5.21 -0.20 3.82 1.01 -1.22 -1.18 120.40 129.10 2dmk s VAL 35 Ca -0.05 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 2dmk s VAL 35 Cb -0.20 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2dmk s VAL 35 CO -0.01 0.51 -0.12 -1.00 0.00 0.00 0.00 175.10 174.48 2dmk s HIS 36 N -0.45 2.89 -0.12 5.22 3.76 -1.26 -3.29 115.29 122.03 2dmk s HIS 36 Ca 0.20 -1.36 -0.01 0.00 -0.15 0.00 0.00 55.06 53.74 2dmk s HIS 36 Cb -0.15 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 2dmk s HIS 36 CO 0.08 -0.70 -0.09 1.67 -0.85 0.00 0.00 174.74 174.85 2dmk s TRP 37 N 1.37 2.88 -0.16 1.40 -2.14 -1.03 -0.17 118.94 121.10 2dmk s TRP 37 Ca 0.05 -0.41 -0.08 0.00 2.66 0.00 0.00 56.10 58.32 2dmk s TRP 37 Cb -0.14 -1.84 -0.04 0.00 -3.10 0.00 0.00 33.47 28.34 2dmk s TRP 37 CO -0.08 -0.05 0.14 -1.50 -2.66 0.00 0.00 176.95 172.79 2dmk s ILE 38 N 0.11 5.46 -0.00 0.66 1.10 0.74 -4.85 121.20 124.42 2dmk s ILE 38 Ca -0.04 0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.31 2dmk s ILE 38 Cb -0.14 -3.43 -0.00 0.00 0.15 0.00 0.00 42.46 39.03 2dmk s ILE 38 CO 0.04 0.54 -0.02 -0.94 -2.11 0.00 0.00 174.94 172.45 2dmk s SER 39 N -0.42 0.22 -0.12 4.50 1.04 -1.26 -2.03 113.70 115.64 2dmk s SER 39 Ca 0.12 -0.03 0.18 0.00 0.48 0.00 0.00 55.95 56.70 2dmk s SER 39 Cb -0.12 -0.03 0.70 0.00 0.10 0.00 0.00 66.02 66.68 2dmk s SER 39 CO 0.01 0.02 1.62 -0.90 0.98 0.00 0.00 173.24 174.97 2dmk n ASP 40 N 3.07 4.71 -3.48 7.02 5.75 -1.26 -4.87 116.55 127.50 2dmk n ASP 40 Ca -0.13 -2.47 0.01 0.00 -0.01 0.00 0.00 54.79 52.18 2dmk n ASP 40 Cb 0.59 -0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.07 2dmk n ASP 40 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2dmk s ASP 41 N -0.96 -0.70 0.00 -1.12 1.47 -1.26 -5.04 116.67 109.05 2dmk s ASP 41 Ca 0.50 0.98 0.00 0.00 1.18 0.00 0.00 52.55 55.21 2dmk s ASP 41 Cb 0.33 1.76 0.00 0.00 -0.34 0.00 0.00 42.92 44.67 2dmk s ASP 41 CO 0.23 -0.14 0.00 -1.84 0.68 0.00 0.00 175.17 174.11 2dmk n GLU 42 N 4.98 1.01 -0.30 2.11 0.28 -1.26 -4.73 120.64 122.73 2dmk n GLU 42 Ca -0.11 0.00 0.28 0.00 -0.16 0.00 0.00 57.16 57.18 2dmk n GLU 42 Cb 0.52 -0.68 0.50 0.00 1.43 0.00 0.00 31.44 33.22 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 -1.27 0.83 0.10 -1.84 3.01 -1.26 0.23 117.46 117.27 2dmk n PHE 43 Ca 0.00 0.84 -0.23 0.00 1.01 0.00 0.00 57.45 59.07 2dmk n PHE 43 Cb 0.18 -1.25 -0.13 0.00 -0.01 0.00 0.00 39.48 38.26 2dmk n PHE 43 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2dmk h SER 44 N 0.00 0.86 -2.66 4.37 4.64 -1.99 -3.45 113.55 115.33 2dmk h SER 44 Ca 0.70 -0.84 -0.53 0.00 -0.47 0.00 0.00 61.79 60.65 2dmk h SER 44 Cb 1.99 -0.27 0.04 0.00 -0.31 0.00 0.00 62.40 63.84 2dmk h SER 44 CO -0.55 1.62 1.02 -0.63 -0.87 0.00 0.00 176.83 177.42 2dmk s ILE 45 N -2.91 2.56 0.01 0.95 1.01 0.64 -4.44 121.20 119.02 2dmk s ILE 45 Ca -0.10 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2dmk s ILE 45 Cb 0.05 -3.15 -0.33 0.00 0.01 0.00 0.00 42.46 39.04 2dmk s ILE 45 CO 0.93 0.01 0.91 0.28 0.00 0.00 0.00 174.94 177.06 2dmk h SER 46 N 7.80 0.71 -4.75 3.58 0.02 -1.62 -3.48 113.55 115.81 2dmk h SER 46 Ca -0.44 -0.85 0.01 0.00 -0.84 0.00 0.00 61.79 59.67 2dmk h SER 46 Cb 1.21 -0.23 -0.17 0.00 0.14 0.00 0.00 62.40 63.34 2dmk h SER 46 CO 0.94 1.68 0.32 -0.94 -1.14 0.00 0.00 176.83 177.70 2dmk s SER 47 N -7.42 -0.52 0.12 3.07 1.04 -1.23 -5.06 113.70 103.71 2dmk s SER 47 Ca -0.11 0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.70 2dmk s SER 47 Cb 0.05 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2dmk s SER 47 CO 0.91 -0.64 0.17 -0.31 0.98 0.00 0.00 173.24 174.35 2dmk s TYR 48 N -2.15 3.30 0.02 5.02 2.02 -0.90 -3.03 117.35 121.62 2dmk s TYR 48 Ca -0.03 0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2dmk s TYR 48 Cb -0.01 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2dmk s TYR 48 CO -0.01 0.53 -0.15 -1.21 -1.57 0.00 0.00 175.55 173.15 2dmk s GLU 49 N -2.88 1.06 -0.07 -0.62 8.01 -0.88 -3.18 118.70 120.14 2dmk s GLU 49 Ca 0.32 -0.65 0.01 0.00 0.01 0.00 0.00 54.97 54.66 2dmk s GLU 49 Cb -0.11 -1.05 -0.03 0.00 -4.31 0.00 0.00 34.13 28.63 2dmk s GLU 49 CO 0.25 0.27 -0.09 -1.17 0.01 0.00 0.00 175.26 174.54 2dmk s LEU 50 N -0.78 3.06 -0.14 1.80 2.96 -1.25 -2.08 118.68 122.25 2dmk s LEU 50 Ca 0.04 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2dmk s LEU 50 Cb -0.07 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 45.01 2dmk s LEU 50 CO 0.00 0.34 0.03 -1.10 -1.32 0.00 0.00 176.35 174.30 2dmk s GLN 51 N -0.68 0.58 0.08 1.98 -0.21 -1.08 -2.69 119.66 117.63 2dmk s GLN 51 Ca 0.10 -0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.36 2dmk s GLN 51 Cb -0.11 -1.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2dmk s GLN 51 CO 0.01 -0.51 -0.16 1.52 -2.12 0.00 0.00 175.29 174.04 2dmk s TYR 52 N 1.93 1.35 -0.18 0.91 1.13 -1.19 -0.23 117.35 121.07 2dmk s TYR 52 Ca 0.02 -0.45 -0.19 0.00 -1.41 0.00 0.00 57.07 55.04 2dmk s TYR 52 Cb -0.15 -0.76 0.05 0.00 -1.10 0.00 0.00 41.96 40.00 2dmk s TYR 52 CO -0.07 0.09 0.53 -0.08 -2.51 0.00 0.00 175.55 173.51 2dmk s THR 53 N -1.23 0.00 -0.05 -3.49 -1.32 -0.98 -2.70 115.64 105.87 2dmk s THR 53 Ca 0.00 -0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 2dmk s THR 53 Cb -0.10 -0.76 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 2dmk s THR 53 CO 0.03 -0.02 1.99 -0.63 -2.21 0.00 0.00 174.62 173.78 2dmk s ILE 54 N 0.06 3.10 -0.37 5.08 1.01 -1.26 -2.60 121.20 126.23 2dmk s ILE 54 Ca -0.02 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2dmk s ILE 54 Cb -0.04 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2dmk s ILE 54 CO 0.02 -0.03 0.40 0.12 0.00 0.00 0.00 174.94 175.45 2dmk s PHE 55 N 5.45 3.19 0.51 3.97 2.19 -0.50 -4.96 117.98 127.84 2dmk s PHE 55 Ca 0.89 -0.13 0.00 0.00 0.33 0.00 0.00 56.93 58.03 2dmk s PHE 55 Cb -0.38 -2.76 -0.00 0.00 -1.31 0.00 0.00 43.02 38.56 2dmk s PHE 55 CO 0.38 -0.53 0.01 0.25 1.83 0.00 0.00 175.22 177.17 2dmk n THR 56 N 5.32 0.00 -0.77 0.12 -2.24 -1.26 -4.04 114.28 111.41 2dmk n THR 56 Ca -0.08 -2.47 -0.08 0.00 -2.27 0.00 0.00 64.05 59.15 2dmk n THR 56 Cb 0.49 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.21 3.01 3.44 3.38 0.00 -1.26 -4.93 105.19 107.62 2dmk n GLY 57 Ca -0.20 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.10 -1.74 0.27 1.61 0.74 -1.26 -4.85 119.66 114.33 2dmk s GLN 58 Ca 0.28 0.37 -0.07 0.00 0.05 0.00 0.00 55.36 55.98 2dmk s GLN 58 Cb 0.15 -1.50 0.45 0.00 1.10 0.00 0.00 33.01 33.22 2dmk s GLN 58 CO -0.02 -4.15 1.49 0.00 -0.55 0.00 0.00 175.29 172.06 2dmk n ALA 59 N -5.15 0.24 -3.58 1.58 0.00 -1.26 -4.73 120.51 107.61 2dmk n ALA 59 Ca 0.08 1.05 -0.06 0.00 0.00 0.00 0.00 53.44 54.51 2dmk n ALA 59 Cb 0.58 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 -5.24 -0.23 0.12 0.00 3.84 -1.26 -5.05 114.94 107.13 2dmk s ASN 60 Ca -0.14 0.10 -0.17 0.00 0.21 0.00 0.00 52.86 52.86 2dmk s ASN 60 Cb 0.26 0.22 -0.03 0.00 -0.55 0.00 0.00 41.25 41.15 2dmk s ASN 60 CO 0.74 -0.31 1.66 0.15 -2.79 0.00 0.00 177.10 176.55 2dmk h PHE 61 N 2.14 0.54 -0.42 0.43 3.04 -1.93 -3.09 116.94 117.64 2dmk h PHE 61 Ca -0.14 -0.04 0.09 0.00 3.98 0.00 0.00 57.97 61.86 2dmk h PHE 61 Cb 1.18 -0.16 -0.09 0.00 2.56 0.00 0.00 35.95 39.44 2dmk h PHE 61 CO 0.27 0.50 -0.27 0.82 -2.02 0.00 0.00 178.31 177.61 2dmk h ILE 62 N 0.42 0.29 -0.64 1.41 1.08 -1.97 0.45 117.51 118.55 2dmk h ILE 62 Ca 0.12 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.71 2dmk h ILE 62 Cb 0.20 0.29 -0.12 0.00 -3.07 0.00 0.00 36.82 34.12 2dmk h ILE 62 CO -0.01 0.00 -0.22 -1.28 -0.69 0.00 0.00 178.15 175.95 2dmk h SER 63 N -0.19 -0.78 0.34 1.72 0.87 -1.95 0.44 113.55 113.99 2dmk h SER 63 Ca 0.19 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2dmk h SER 63 Cb 0.50 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2dmk h SER 63 CO -0.53 -0.25 -0.16 0.25 -0.53 0.00 0.00 176.83 175.60 2dmk h LEU 64 N -0.05 -0.38 -1.43 2.23 5.85 -1.25 -2.88 115.31 117.40 2dmk h LEU 64 Ca 0.29 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.19 2dmk h LEU 64 Cb 0.51 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2dmk h LEU 64 CO -0.68 -0.23 0.78 0.22 -0.34 0.00 0.00 178.44 178.19 2dmk h TYR 65 N -0.54 0.00 -0.25 1.25 3.20 -0.68 0.21 116.97 120.16 2dmk h TYR 65 Ca -0.05 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.83 2dmk h TYR 65 Cb 0.35 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2dmk h TYR 65 CO 0.11 0.00 0.15 -0.97 -1.64 0.00 0.00 178.16 175.81 2dmk h ASN 66 N 0.00 0.25 -3.18 -2.11 -0.73 0.11 -3.26 115.58 106.65 2dmk h ASN 66 Ca 0.26 -0.00 -0.78 0.00 1.87 0.00 0.00 56.30 57.65 2dmk h ASN 66 Cb 1.83 -0.06 -0.30 0.00 0.27 0.00 0.00 38.32 40.06 2dmk h ASN 66 CO -0.00 0.19 0.46 -1.20 -0.37 0.00 0.00 177.43 176.50 2dmk n SER 67 N -4.94 5.62 -1.73 1.15 7.64 0.75 -4.89 113.62 117.23 2dmk n SER 67 Ca -0.02 -3.23 -0.03 0.00 1.01 0.00 0.00 58.87 56.60 2dmk n SER 67 Cb 0.04 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 2dmk n SER 67 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2dmk n VAL 68 N 1.96 1.93 -0.06 0.44 3.14 -1.23 -3.82 118.33 120.68 2dmk n VAL 68 Ca 0.25 -0.67 -0.14 0.00 -2.96 0.00 0.00 64.34 60.82 2dmk n VAL 68 Cb 0.36 -1.57 -0.14 0.00 -1.06 0.00 0.00 33.84 31.43 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 1.88 1.14 0.11 6.55 8.00 -1.26 -4.38 116.55 128.59 2dmk n ASP 69 Ca 0.11 0.14 -0.19 0.00 0.71 0.00 0.00 54.79 55.56 2dmk n ASP 69 Cb 0.52 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.46 2dmk n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dmk h SER 70 N 0.02 0.54 -1.00 -2.24 0.02 -1.98 -3.47 113.55 105.44 2dmk h SER 70 Ca -0.45 -0.60 -0.38 0.00 -0.84 0.00 0.00 61.79 59.52 2dmk h SER 70 Cb 2.06 -0.18 0.09 0.00 0.14 0.00 0.00 62.40 64.52 2dmk h SER 70 CO 0.03 1.48 -0.56 0.79 -1.14 0.00 0.00 176.83 177.43 2dmk n TRP 71 N -3.57 -1.24 -3.54 3.45 7.02 -1.26 -4.91 117.44 113.40 2dmk n TRP 71 Ca -0.12 0.39 -0.31 0.00 -1.02 0.00 0.00 57.50 56.43 2dmk n TRP 71 Cb 1.05 -1.08 -0.05 0.00 -2.42 0.00 0.00 31.31 28.82 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 -0.60 3.68 -0.01 -0.99 -1.94 -1.10 -5.00 119.30 113.33 2dmk s MET 72 Ca 0.36 0.04 -0.02 0.00 -1.71 0.00 0.00 55.69 54.35 2dmk s MET 72 Cb -0.39 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 33.70 2dmk s MET 72 CO 0.38 0.38 0.06 0.42 -0.01 0.00 0.00 175.02 176.24 2dmk s ILE 73 N -1.78 0.03 -0.37 2.53 1.09 -1.26 -3.16 121.20 118.29 2dmk s ILE 73 Ca 0.43 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 2dmk s ILE 73 Cb -0.12 -0.18 0.12 0.00 -1.06 0.00 0.00 42.46 41.23 2dmk s ILE 73 CO 0.24 -0.16 0.18 -0.69 -0.10 0.00 0.00 174.94 174.42 2dmk s VAL 74 N -0.47 0.80 1.16 2.92 1.01 -1.10 -4.99 120.40 119.73 2dmk s VAL 74 Ca -0.05 -1.86 -0.19 0.00 0.00 0.00 0.00 61.98 59.87 2dmk s VAL 74 Cb -0.03 -1.59 0.29 0.00 0.00 0.00 0.00 36.38 35.05 2dmk s VAL 74 CO 0.00 -0.85 1.02 -0.81 0.00 0.00 0.00 175.10 174.47 2dmk n PRO 75 N 4.18 -3.04 -3.17 2.72 -0.04 -1.26 -3.77 135.00 130.62 2dmk n PRO 75 Ca 0.05 -1.64 -0.14 0.00 -0.04 0.00 0.00 63.50 61.73 2dmk n PRO 75 Cb 0.38 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -4.77 -2.28 -4.19 3.54 3.02 -1.26 -4.99 115.26 104.33 2dmk n ASN 76 Ca 0.14 -0.49 -0.38 0.00 -0.03 0.00 0.00 54.58 53.81 2dmk n ASN 76 Cb 0.55 -4.21 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 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 -3.29 3.77 -0.50 2.41 1.01 -1.19 -4.95 121.20 118.46 2dmk s ILE 77 Ca 0.03 -1.75 0.03 0.00 0.00 0.00 0.00 60.65 58.96 2dmk s ILE 77 Cb -0.01 -3.44 0.43 0.00 0.01 0.00 0.00 42.46 39.44 2dmk s ILE 77 CO 0.59 -0.62 1.48 0.29 0.00 0.00 0.00 174.94 176.68 2dmk n LYS 78 N 4.77 3.23 -4.19 2.79 4.76 -1.26 -2.12 118.16 126.14 2dmk n LYS 78 Ca -0.07 -3.97 -0.12 0.00 -2.87 0.00 0.00 58.31 51.28 2dmk n LYS 78 Cb 0.42 -2.27 -0.09 0.00 -1.84 0.00 0.00 35.03 31.24 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 -3.71 1.28 -0.00 1.97 -2.07 -1.26 -5.04 119.66 110.82 2dmk s GLN 79 Ca 0.53 -1.62 0.20 0.00 -1.82 0.00 0.00 55.36 52.65 2dmk s GLN 79 Cb 0.43 0.29 0.57 0.00 -1.09 0.00 0.00 33.01 33.22 2dmk s GLN 79 CO -0.11 -0.44 1.48 0.09 -1.32 0.00 0.00 175.29 174.99 2dmk n ASN 80 N -0.38 3.48 -3.63 12.60 4.13 -1.26 -4.87 115.26 125.33 2dmk n ASN 80 Ca 0.02 -2.02 -0.03 0.00 1.68 0.00 0.00 54.58 54.23 2dmk n ASN 80 Cb 0.65 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 38.39 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 -1.17 -0.69 -0.08 3.10 -3.43 -1.26 -2.47 115.29 109.29 2dmk s HIS 81 Ca 0.43 1.37 0.04 0.00 -0.80 0.00 0.00 55.06 56.10 2dmk s HIS 81 Cb 0.23 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2dmk s HIS 81 CO 0.29 -0.34 -0.20 -0.47 -2.00 0.00 0.00 174.74 172.02 2dmk s TYR 82 N 1.48 2.11 -0.50 0.38 6.14 -1.21 -4.98 117.35 120.77 2dmk s TYR 82 Ca -0.09 -0.78 -0.21 0.00 0.64 0.00 0.00 57.07 56.62 2dmk s TYR 82 Cb -0.04 -1.43 0.04 0.00 0.42 0.00 0.00 41.96 40.95 2dmk s TYR 82 CO -0.16 -0.32 0.74 0.99 0.64 0.00 0.00 175.55 177.44 2dmk s THR 83 N 0.33 4.70 -0.18 4.34 2.01 -1.26 -3.45 115.64 122.12 2dmk s THR 83 Ca -0.14 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 2dmk s THR 83 Cb -0.16 -4.35 -0.00 0.00 0.01 0.00 0.00 72.50 67.99 2dmk s THR 83 CO 0.06 -0.85 1.11 -0.69 -0.69 0.00 0.00 174.62 173.56 2dmk s VAL 84 N 3.13 4.55 0.02 3.82 1.01 -0.58 -4.92 120.40 127.42 2dmk s VAL 84 Ca 0.23 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.08 2dmk s VAL 84 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2dmk s VAL 84 CO 0.17 -0.13 0.04 -1.00 0.00 0.00 0.00 175.10 174.18 2dmk s HIS 85 N 3.02 3.15 0.00 5.22 3.76 -1.26 -2.80 115.29 126.38 2dmk s HIS 85 Ca 0.49 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 2dmk s HIS 85 Cb -0.18 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2dmk s HIS 85 CO 0.11 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 2dmk n GLY 86 N 1.13 0.52 3.87 -2.22 0.00 -1.04 -5.04 105.19 102.41 2dmk n GLY 86 Ca -0.13 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2dmk n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 87 N -0.80 2.73 -0.13 0.99 1.43 -0.43 -5.03 118.68 117.44 2dmk s LEU 87 Ca 0.00 -1.25 -0.05 0.00 -1.03 0.00 0.00 54.13 51.80 2dmk s LEU 87 Cb 0.00 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2dmk s LEU 87 CO 0.00 -1.00 0.05 -1.10 0.23 0.00 0.00 176.35 174.53 2dmk s GLN 88 N -4.19 3.46 0.34 1.70 -1.52 -1.26 -4.41 119.66 113.78 2dmk s GLN 88 Ca 0.32 -0.34 -0.27 0.00 -1.95 0.00 0.00 55.36 53.12 2dmk s GLN 88 Cb -0.01 -3.03 -0.09 0.00 -0.22 0.00 0.00 33.01 29.66 2dmk s GLN 88 CO 0.19 0.54 1.11 -1.12 -0.25 0.00 0.00 175.29 175.76 2dmk s SER 89 N -0.40 6.96 -1.21 5.90 0.01 -1.07 -3.69 113.70 120.21 2dmk s SER 89 Ca 0.09 2.24 -0.01 0.00 1.31 0.00 0.00 55.95 59.57 2dmk s SER 89 Cb -0.12 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2dmk s SER 89 CO 0.02 -0.36 1.01 0.61 0.41 0.00 0.00 173.24 174.93 2dmk n GLY 90 N 0.83 -0.37 3.12 3.44 0.00 -1.23 -4.94 105.19 106.04 2dmk n GLY 90 Ca 0.02 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.35 0.02 0.27 2.61 2.01 -1.24 -4.96 115.64 110.99 2dmk s THR 91 Ca 0.08 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2dmk s THR 91 Cb -0.03 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 2dmk s THR 91 CO 0.72 -0.07 1.13 -0.13 -0.69 0.00 0.00 174.62 175.58 2dmk s ARG 92 N -0.21 4.59 -0.07 4.92 0.52 -1.26 -3.36 118.95 124.09 2dmk s ARG 92 Ca -0.03 1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 57.02 2dmk s ARG 92 Cb -0.03 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.28 2dmk s ARG 92 CO 0.01 0.12 -0.00 0.71 0.02 0.00 0.00 175.30 176.16 2dmk s TYR 93 N -0.95 0.65 -0.16 -0.53 1.51 0.84 -1.41 117.35 117.30 2dmk s TYR 93 Ca 0.46 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 56.22 2dmk s TYR 93 Cb -0.33 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 2dmk s TYR 93 CO 0.41 -0.31 0.34 0.42 -1.11 0.00 0.00 175.55 175.30 2dmk s ILE 94 N 1.87 5.27 -0.02 2.71 1.01 -1.07 -0.15 121.20 130.81 2dmk s ILE 94 Ca 0.03 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.37 2dmk s ILE 94 Cb -0.12 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2dmk s ILE 94 CO -0.05 0.35 -0.19 -0.36 0.00 0.00 0.00 174.94 174.70 2dmk s PHE 95 N 0.68 2.56 -0.21 3.97 0.08 0.10 -2.33 117.98 122.83 2dmk s PHE 95 Ca 0.18 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 2dmk s PHE 95 Cb -0.14 -1.56 0.07 0.00 -0.57 0.00 0.00 43.02 40.83 2dmk s PHE 95 CO 0.06 0.13 0.09 0.42 -0.10 0.00 0.00 175.22 175.82 2dmk s ILE 96 N -0.73 0.04 0.08 0.64 1.01 0.68 -1.29 121.20 121.62 2dmk s ILE 96 Ca 0.12 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 2dmk s ILE 96 Cb -0.10 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 2dmk s ILE 96 CO 0.01 -0.39 0.84 -0.69 0.00 0.00 0.00 174.94 174.71 2dmk s VAL 97 N 2.07 4.62 -0.09 2.92 1.01 -1.26 -2.65 120.40 127.02 2dmk s VAL 97 Ca 0.04 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.85 2dmk s VAL 97 Cb -0.16 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2dmk s VAL 97 CO -0.16 0.36 -0.19 -0.75 0.00 0.00 0.00 175.10 174.36 2dmk s LYS 98 N -0.11 2.51 -0.41 2.72 2.20 -0.89 -2.41 119.74 123.36 2dmk s LYS 98 Ca 0.41 -0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 2dmk s LYS 98 Cb -0.22 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 2dmk s LYS 98 CO 0.26 0.09 0.32 0.00 -0.36 0.00 0.00 175.35 175.66 2dmk s ALA 99 N 0.56 3.47 -0.03 3.13 0.00 -1.15 -2.07 121.76 125.68 2dmk s ALA 99 Ca -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 2dmk s ALA 99 Cb -0.17 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2dmk s ALA 99 CO 0.05 -1.46 0.17 0.42 0.00 0.00 0.00 175.76 174.94 2dmk s ILE 100 N 1.77 5.37 0.38 0.00 1.09 -1.17 -2.28 121.20 126.36 2dmk s ILE 100 Ca 0.06 -0.13 -0.09 0.00 -1.10 0.00 0.00 60.65 59.39 2dmk s ILE 100 Cb -0.19 -3.48 0.03 0.00 -1.06 0.00 0.00 42.46 37.77 2dmk s ILE 100 CO 0.11 0.37 0.66 0.54 -0.10 0.00 0.00 174.94 176.52 2dmk s ASN 101 N -1.78 0.49 0.43 3.58 4.22 0.10 -1.95 114.94 120.03 2dmk s ASN 101 Ca 0.25 -1.35 0.16 0.00 -2.14 0.00 0.00 52.86 49.78 2dmk s ASN 101 Cb -0.12 0.78 1.06 0.00 1.28 0.00 0.00 41.25 44.25 2dmk s ASN 101 CO 0.16 -1.54 1.91 0.06 -2.04 0.00 0.00 177.10 175.65 2dmk h GLN 102 N 2.03 0.39 0.34 3.55 3.07 -1.95 -2.60 115.11 119.95 2dmk h GLN 102 Ca -0.31 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.39 2dmk h GLN 102 Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.72 2dmk h GLN 102 CO 0.40 0.26 -0.16 0.00 0.09 0.00 0.00 178.83 179.42 2dmk h ALA 103 N 1.64 -0.45 -3.00 0.06 0.00 -1.82 -3.50 119.26 112.19 2dmk h ALA 103 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dmk h ALA 103 Cb 0.89 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dmk h ALA 103 CO -0.12 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.07 2dmk n GLY 104 N 0.36 0.76 3.38 0.00 0.00 -0.98 -4.89 105.19 103.82 2dmk n GLY 104 Ca -0.07 0.29 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.42 -0.18 1.61 1.04 -1.26 0.02 113.70 116.51 2dmk s SER 105 Ca 0.00 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 2dmk s SER 105 Cb 0.00 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2dmk s SER 105 CO 0.00 -0.57 0.04 -0.60 0.98 0.00 0.00 173.24 173.09 2dmk s ARG 106 N -1.55 0.60 0.07 4.02 6.06 -0.97 -4.78 118.95 122.41 2dmk s ARG 106 Ca -0.11 -0.35 -0.28 0.00 -2.50 0.00 0.00 55.73 52.49 2dmk s ARG 106 Cb -0.02 -2.00 -0.05 0.00 0.06 0.00 0.00 34.95 32.93 2dmk s ARG 106 CO 0.05 -0.62 0.89 0.54 -2.50 0.00 0.00 175.30 173.66 2dmk s ASN 107 N 1.89 7.37 0.82 -2.12 4.22 -1.26 -2.92 114.94 122.94 2dmk s ASN 107 Ca -0.00 1.64 -0.06 0.00 -2.14 0.00 0.00 52.86 52.30 2dmk s ASN 107 Cb -0.17 -2.54 0.17 0.00 1.28 0.00 0.00 41.25 39.99 2dmk s ASN 107 CO -0.08 -0.05 1.13 -0.55 -2.04 0.00 0.00 177.10 175.50 2dmk s SER 108 N 0.08 3.79 0.50 3.54 0.15 -1.01 -4.96 113.70 115.79 2dmk s SER 108 Ca 0.44 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.66 2dmk s SER 108 Cb -0.22 0.04 -0.08 0.00 -1.71 0.00 0.00 66.02 64.05 2dmk s SER 108 CO 0.27 -2.25 1.07 -1.61 1.20 0.00 0.00 173.24 171.92 2dmk s GLU 109 N -5.43 3.65 0.17 5.44 2.02 -1.26 -4.80 118.70 118.49 2dmk s GLU 109 Ca 0.70 1.45 -0.30 0.00 0.02 0.00 0.00 54.97 56.84 2dmk s GLU 109 Cb -0.04 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 32.04 2dmk s GLU 109 CO 0.48 -0.57 1.33 -1.25 0.02 0.00 0.00 175.26 175.26 2dmk s PRO 110 N -3.23 4.37 -0.26 0.39 0.04 -1.26 -4.72 135.00 130.32 2dmk s PRO 110 Ca 0.69 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.81 2dmk s PRO 110 Cb -0.19 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.19 2dmk s PRO 110 CO 0.22 -0.30 -0.11 0.99 0.04 0.00 0.00 177.00 177.85 2dmk s THR 111 N 0.43 2.14 0.06 1.26 2.01 -0.41 -4.91 115.64 116.21 2dmk s THR 111 Ca 0.59 -1.63 -0.21 0.00 0.31 0.00 0.00 61.69 60.75 2dmk s THR 111 Cb -0.36 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.82 2dmk s THR 111 CO 0.36 -0.04 0.62 0.00 -0.69 0.00 0.00 174.62 174.87 2dmk s ARG 112 N 1.11 4.31 0.08 4.92 1.70 -1.26 0.00 118.95 129.82 2dmk s ARG 112 Ca -0.09 0.82 0.03 0.00 -0.47 0.00 0.00 55.73 56.03 2dmk s ARG 112 Cb -0.20 -3.28 -0.03 0.00 -0.57 0.00 0.00 34.95 30.87 2dmk s ARG 112 CO -0.05 0.53 -0.09 -0.51 -1.08 0.00 0.00 175.30 174.10 2dmk s LEU 113 N -0.79 2.39 -0.17 -1.89 1.43 0.78 -4.87 118.68 115.56 2dmk s LEU 113 Ca 0.31 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2dmk s LEU 113 Cb -0.20 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.78 2dmk s LEU 113 CO 0.20 -0.29 -0.11 -0.54 0.23 0.00 0.00 176.35 175.84 2dmk s LYS 114 N -2.72 3.33 0.66 1.70 1.02 -1.26 -0.11 119.74 122.36 2dmk s LYS 114 Ca 0.03 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 2dmk s LYS 114 Cb -0.03 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2dmk s LYS 114 CO -0.01 -0.00 1.06 0.95 -0.92 0.00 0.00 175.35 176.43 2dmk s THR 115 N 0.91 4.16 0.07 2.17 -4.23 -1.21 -4.76 115.64 112.75 2dmk s THR 115 Ca -0.02 0.70 -0.31 0.00 -1.18 0.00 0.00 61.69 60.88 2dmk s THR 115 Cb -0.15 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 2dmk s THR 115 CO -0.00 -0.92 1.53 0.20 -0.54 0.00 0.00 174.62 174.89 2dmk s ASN 116 N -4.25 6.70 0.00 3.99 0.01 -1.25 -3.81 114.94 116.33 2dmk s ASN 116 Ca 0.56 2.38 0.00 0.00 -0.71 0.00 0.00 52.86 55.09 2dmk s ASN 116 Cb -0.11 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2dmk s ASN 116 CO 0.53 -0.80 0.60 -1.20 -1.51 0.00 0.00 177.10 174.72 2dmk n SER 117 N 5.08 0.00 -3.98 -1.22 7.64 -1.26 -3.49 113.62 116.38 2dmk n SER 117 Ca 0.14 0.60 -0.16 0.00 1.01 0.00 0.00 58.87 60.46 2dmk n SER 117 Cb 0.41 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.72 0.51 0.00 1.43 0.74 -1.26 -3.60 119.66 114.76 2dmk s GLN 118 Ca 0.00 -0.26 0.15 0.00 0.05 0.00 0.00 55.36 55.31 2dmk s GLN 118 Cb 0.00 -0.48 0.90 0.00 1.10 0.00 0.00 33.01 34.52 2dmk s GLN 118 CO 0.00 0.13 1.36 -0.35 -0.55 0.00 0.00 175.29 175.88 2dmk n PRO 119 N 2.84 0.44 -1.91 1.67 -0.04 -1.26 -4.80 135.00 131.93 2dmk n PRO 119 Ca -0.14 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 2dmk n PRO 119 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.11 2.94 -0.14 0.54 0.40 -1.26 -4.92 117.98 113.43 2dmk s PHE 120 Ca 0.22 0.85 -0.29 0.00 -0.60 0.00 0.00 56.93 57.11 2dmk s PHE 120 Cb 0.11 -3.93 -0.04 0.00 0.51 0.00 0.00 43.02 39.66 2dmk s PHE 120 CO 0.19 -3.16 1.66 0.15 0.70 0.00 0.00 175.22 174.76 2dmk s LYS 121 N -0.10 3.95 -0.07 0.44 1.02 -1.26 -4.98 119.74 118.74 2dmk s LYS 121 Ca 0.63 1.94 -0.06 0.00 0.02 0.00 0.00 55.97 58.50 2dmk s LYS 121 Cb -0.44 -4.03 0.02 0.00 -0.52 0.00 0.00 37.83 32.86 2dmk s LYS 121 CO 0.42 -1.11 0.19 -1.54 -0.92 0.00 0.00 175.35 172.39 2dmk s SER 122 N 3.99 -0.20 0.30 2.83 1.04 -1.26 -5.13 113.70 115.27 2dmk s SER 122 Ca 0.74 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 57.40 2dmk s SER 122 Cb -0.29 0.37 -0.11 0.00 0.10 0.00 0.00 66.02 66.08 2dmk s SER 122 CO 0.29 -0.08 0.03 0.61 0.98 0.00 0.00 173.24 175.08 2dmk n GLY 123 N 3.22 -2.03 3.72 7.32 0.00 -1.26 -4.80 105.19 111.36 2dmk n GLY 123 Ca -0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.72 4.36 0.06 1.61 0.04 -1.26 -5.01 135.00 134.08 2dmk s PRO 124 Ca 0.42 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 2dmk s PRO 124 Cb -0.44 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 30.95 2dmk s PRO 124 CO 0.46 -0.34 0.78 0.45 0.04 0.00 0.00 177.00 178.39 2dmk s SER 125 N 0.79 -0.43 -0.19 6.66 0.15 -1.26 -5.08 113.70 114.34 2dmk s SER 125 Ca 0.61 -0.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 2dmk s SER 125 Cb -0.36 0.47 -0.21 0.00 -1.71 0.00 0.00 66.02 64.21 2dmk s SER 125 CO 0.33 -0.77 0.25 0.77 1.20 0.00 0.00 173.24 175.03 2dmk h SER 126 N 2.00 0.09 0.00 5.45 4.64 -2.04 -3.55 113.55 120.14 2dmk h SER 126 Ca -0.26 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2dmk h SER 126 Cb 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2dmk h SER 126 CO 0.33 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.46