#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 3.40 1.05 1.61 1.04 -1.26 -5.13 113.70 114.41 2dmk s SER 2 Ca 0.00 -1.65 -0.24 0.00 0.48 0.00 0.00 55.95 54.54 2dmk s SER 2 Cb 0.00 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 2dmk s SER 2 CO 0.00 -0.88 -0.87 -1.54 0.98 0.00 0.00 173.24 170.93 2dmk n SER 3 N -1.27 -2.81 0.01 7.02 3.41 -1.26 -5.00 113.62 113.71 2dmk n SER 3 Ca -0.12 -0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2dmk n SER 3 Cb 0.66 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2dmk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmk n GLY 4 N 2.86 0.05 3.35 5.00 0.00 -1.26 -5.14 105.19 110.06 2dmk n GLY 4 Ca -0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2dmk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmk s SER 5 N -5.11 1.87 0.00 1.61 0.15 -1.26 -5.10 113.70 105.86 2dmk s SER 5 Ca -0.00 -1.68 -0.05 0.00 0.70 0.00 0.00 55.95 54.91 2dmk s SER 5 Cb 0.00 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2dmk s SER 5 CO 0.00 -0.99 -0.11 -0.24 1.20 0.00 0.00 173.24 173.11 2dmk n SER 6 N -1.30 1.26 0.00 5.45 2.88 -1.26 -5.13 113.62 115.52 2dmk n SER 6 Ca 0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2dmk n SER 6 Cb 0.64 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2dmk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmk n GLY 7 N 2.82 2.50 3.13 0.46 0.00 -1.26 -5.17 105.19 107.67 2dmk n GLY 7 Ca -0.06 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2dmk n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmk s GLU 8 N -0.94 0.49 0.07 1.61 -1.05 -1.26 -5.17 118.70 112.46 2dmk s GLU 8 Ca 0.00 -0.29 -0.26 0.00 -0.15 0.00 0.00 54.97 54.27 2dmk s GLU 8 Cb 0.00 0.21 0.09 0.00 -0.44 0.00 0.00 34.13 33.99 2dmk s GLU 8 CO 0.00 -0.12 1.18 0.20 0.95 0.00 0.00 175.26 177.47 2dmk s GLY 9 N -1.21 -0.04 -0.33 -3.83 0.00 -1.26 -5.05 107.32 95.61 2dmk s GLY 9 Ca -0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.31 2dmk s GLY 9 CO 0.02 4.01 0.56 1.08 0.00 0.00 0.00 173.10 178.77 2dmk s LEU 10 N -3.60 4.24 0.36 0.66 1.43 -1.26 -4.94 118.68 115.57 2dmk s LEU 10 Ca 0.25 0.19 0.15 0.00 -1.03 0.00 0.00 54.13 53.69 2dmk s LEU 10 Cb -0.01 -2.68 1.06 0.00 0.03 0.00 0.00 46.19 44.58 2dmk s LEU 10 CO 0.02 -0.47 1.71 0.44 0.23 0.00 0.00 176.35 178.28 2dmk h ASP 11 N 8.34 0.53 -3.91 2.29 3.32 -2.03 -3.40 116.42 121.56 2dmk h ASP 11 Ca -0.27 0.14 -0.51 0.00 0.02 0.00 0.00 57.03 56.40 2dmk h ASP 11 Cb 1.12 0.06 0.05 0.00 0.22 0.00 0.00 39.33 40.79 2dmk h ASP 11 CO 0.78 0.01 0.53 -0.72 -1.72 0.00 0.00 179.24 178.12 2dmk s TYR 12 N -5.62 3.14 0.00 4.55 -0.85 -1.26 -4.93 117.35 112.38 2dmk s TYR 12 Ca -0.10 1.54 0.00 0.00 -0.52 0.00 0.00 57.07 57.99 2dmk s TYR 12 Cb 0.28 -3.45 0.00 0.00 0.38 0.00 0.00 41.96 39.17 2dmk s TYR 12 CO 0.80 -1.35 0.11 -0.11 -1.52 0.00 0.00 175.55 173.48 2dmk n LEU 13 N 0.42 0.22 -0.26 -3.49 0.00 -1.26 -4.77 117.00 107.85 2dmk n LEU 13 Ca 0.02 -0.40 0.30 0.00 0.00 0.00 0.00 56.01 55.93 2dmk n LEU 13 Cb 0.45 0.00 0.45 0.00 0.00 0.00 0.00 43.42 44.32 2dmk n LEU 13 CO 0.53 0.05 1.22 1.07 0.00 0.00 0.00 177.39 180.27 2dmk n THR 14 N -0.36 0.00 -3.79 1.96 5.66 -1.26 -4.21 114.28 112.28 2dmk n THR 14 Ca 0.00 1.22 -0.13 0.00 -3.05 0.00 0.00 64.05 62.09 2dmk n THR 14 Cb 0.04 -2.17 -0.11 0.00 -1.55 0.00 0.00 70.33 66.54 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 -4.37 -0.60 0.30 1.79 0.00 -1.26 -3.72 121.76 113.90 2dmk s ALA 15 Ca -0.03 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 2dmk s ALA 15 Cb 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 2dmk s ALA 15 CO 0.49 -0.14 1.23 -1.25 0.00 0.00 0.00 175.76 176.10 2dmk s PRO 16 N -0.14 4.46 0.31 0.00 0.04 -1.26 -4.96 135.00 133.45 2dmk s PRO 16 Ca -0.03 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 2dmk s PRO 16 Cb -0.03 -3.12 -0.13 0.00 0.04 0.00 0.00 34.50 31.27 2dmk s PRO 16 CO 0.01 -0.05 1.30 0.09 0.04 0.00 0.00 177.00 178.39 2dmk n ASN 17 N 1.05 2.64 -4.70 6.66 4.13 -1.26 -4.41 115.26 119.36 2dmk n ASN 17 Ca -0.00 1.19 -0.42 0.00 1.68 0.00 0.00 54.58 57.03 2dmk n ASN 17 Cb 0.43 -1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 37.19 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 -1.43 4.31 0.46 3.52 0.04 -1.26 -4.75 135.00 135.88 2dmk s PRO 18 Ca 0.59 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.44 2dmk s PRO 18 Cb -0.60 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 30.48 2dmk s PRO 18 CO 0.58 -0.49 1.16 -1.25 0.04 0.00 0.00 177.00 177.05 2dmk s PRO 19 N 1.61 3.75 -0.35 0.56 0.04 -1.26 -4.93 135.00 134.43 2dmk s PRO 19 Ca 0.64 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.40 2dmk s PRO 19 Cb -0.35 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 31.84 2dmk s PRO 19 CO 0.29 -0.55 0.12 -1.12 0.04 0.00 0.00 177.00 175.77 2dmk s SER 20 N -1.37 5.29 -0.06 6.66 0.01 -1.08 -4.74 113.70 118.42 2dmk s SER 20 Ca 0.64 -1.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.33 2dmk s SER 20 Cb -0.28 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2dmk s SER 20 CO 0.34 -0.36 1.36 -0.63 0.41 0.00 0.00 173.24 174.36 2dmk s ILE 21 N 1.36 3.95 -0.70 1.44 1.01 -1.26 -0.78 121.20 126.23 2dmk s ILE 21 Ca -0.01 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 2dmk s ILE 21 Cb -0.20 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.56 2dmk s ILE 21 CO 0.02 -0.05 0.89 -0.13 0.00 0.00 0.00 174.94 175.67 2dmk s ARG 22 N 2.88 3.21 0.59 2.79 1.81 0.11 -4.87 118.95 125.47 2dmk s ARG 22 Ca 0.61 -1.29 0.36 0.00 -1.72 0.00 0.00 55.73 53.70 2dmk s ARG 22 Cb -0.28 -4.39 1.80 0.00 -0.45 0.00 0.00 34.95 31.63 2dmk s ARG 22 CO 0.23 -1.68 2.16 1.49 -0.68 0.00 0.00 175.30 176.81 2dmk h GLU 23 N 9.19 0.00 0.00 3.54 4.22 -1.93 0.97 114.58 130.57 2dmk h GLU 23 Ca -0.18 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.16 2dmk h GLU 23 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2dmk h GLU 23 CO 1.12 0.03 -0.54 1.05 -2.18 0.00 0.00 179.01 178.48 2dmk h GLU 24 N 0.00 0.00 0.00 1.92 4.11 -1.94 -3.31 114.58 115.36 2dmk h GLU 24 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 2dmk h GLU 24 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2dmk h GLU 24 CO 0.00 0.46 -2.05 1.28 0.07 0.00 0.00 179.01 178.78 2dmk n LEU 25 N -3.19 0.47 -4.76 3.06 4.77 -0.62 -4.95 117.00 111.77 2dmk n LEU 25 Ca 0.01 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.81 2dmk n LEU 25 Cb 0.73 0.32 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 2dmk n LEU 25 CO 0.40 0.45 1.02 0.00 -1.33 0.00 0.00 177.39 177.93 2dmk s THR 27 N -1.25 2.40 -0.05 0.00 -4.23 0.12 -4.95 115.64 107.67 2dmk s THR 27 Ca 0.62 -2.25 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 2dmk s THR 27 Cb -0.41 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.22 2dmk s THR 27 CO 0.52 -0.30 -0.12 0.00 -0.54 0.00 0.00 174.62 174.19 2dmk s ALA 28 N -2.20 1.15 0.27 3.99 0.00 -1.26 -1.56 121.76 122.15 2dmk s ALA 28 Ca 0.26 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.86 2dmk s ALA 28 Cb -0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 2dmk s ALA 28 CO 0.13 0.13 0.02 -1.12 0.00 0.00 0.00 175.76 174.92 2dmk s SER 29 N 0.49 2.05 0.02 0.00 0.01 0.35 -4.54 113.70 112.09 2dmk s SER 29 Ca -0.10 -1.28 -0.05 0.00 1.31 0.00 0.00 55.95 55.83 2dmk s SER 29 Cb -0.13 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2dmk s SER 29 CO 0.02 -0.54 1.05 0.00 0.41 0.00 0.00 173.24 174.18 2dmk n HIS 30 N -0.52 -0.07 -2.19 2.43 1.44 -1.26 -2.88 115.22 112.17 2dmk n HIS 30 Ca -0.04 0.19 -0.21 0.00 -2.01 0.00 0.00 57.72 55.65 2dmk n HIS 30 Cb 0.65 -0.50 0.02 0.00 0.12 0.00 0.00 29.99 30.28 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2dmk n ASP 31 N -3.31 4.45 -3.59 4.39 8.00 -1.26 -3.26 116.55 121.97 2dmk n ASP 31 Ca 0.00 -3.53 -0.14 0.00 0.71 0.00 0.00 54.79 51.83 2dmk n ASP 31 Cb 0.04 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dmk s THR 32 N -4.61 0.00 -0.07 -3.53 -4.23 -1.14 -3.14 115.64 98.93 2dmk s THR 32 Ca 0.47 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2dmk s THR 32 Cb 0.40 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 73.27 2dmk s THR 32 CO 0.00 0.00 0.16 -0.63 -0.54 0.00 0.00 174.62 173.61 2dmk s ILE 33 N -0.27 -0.03 -0.41 2.99 1.01 -1.16 0.13 121.20 123.47 2dmk s ILE 33 Ca -0.03 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 2dmk s ILE 33 Cb -0.03 -0.25 0.10 0.00 0.01 0.00 0.00 42.46 42.29 2dmk s ILE 33 CO 0.03 0.05 0.21 -0.89 0.00 0.00 0.00 174.94 174.33 2dmk s THR 34 N 0.79 3.57 -0.43 2.92 2.01 -0.60 -1.66 115.64 122.23 2dmk s THR 34 Ca -0.06 -1.80 -0.23 0.00 0.31 0.00 0.00 61.69 59.90 2dmk s THR 34 Cb -0.08 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.13 2dmk s THR 34 CO -0.04 -0.59 0.80 -0.69 -0.69 0.00 0.00 174.62 173.41 2dmk s VAL 35 N 1.24 4.64 -0.27 3.82 1.01 -1.24 -0.70 120.40 128.90 2dmk s VAL 35 Ca 0.05 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2dmk s VAL 35 Cb -0.23 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2dmk s VAL 35 CO -0.02 -0.66 0.49 -1.00 0.00 0.00 0.00 175.10 173.91 2dmk s HIS 36 N 3.31 3.25 0.06 5.22 3.76 -1.26 -3.49 115.29 126.14 2dmk s HIS 36 Ca 0.31 0.55 0.09 0.00 -0.15 0.00 0.00 55.06 55.87 2dmk s HIS 36 Cb -0.12 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 2dmk s HIS 36 CO 0.22 -0.30 -0.24 1.67 -0.85 0.00 0.00 174.74 175.23 2dmk s TRP 37 N 2.29 2.38 0.02 1.40 -2.14 0.47 0.09 118.94 123.43 2dmk s TRP 37 Ca 0.20 -0.37 -0.02 0.00 2.66 0.00 0.00 56.10 58.57 2dmk s TRP 37 Cb -0.16 -1.38 -0.04 0.00 -3.10 0.00 0.00 33.47 28.79 2dmk s TRP 37 CO 0.10 0.20 0.20 -1.50 -2.66 0.00 0.00 176.95 173.29 2dmk s ILE 38 N -0.89 5.41 -0.15 0.66 -1.16 0.04 -4.66 121.20 120.45 2dmk s ILE 38 Ca 0.13 -0.22 -0.01 0.00 -0.51 0.00 0.00 60.65 60.04 2dmk s ILE 38 Cb -0.10 -3.57 0.04 0.00 0.61 0.00 0.00 42.46 39.43 2dmk s ILE 38 CO 0.04 0.26 -0.06 -0.44 -2.81 0.00 0.00 174.94 171.93 2dmk s SER 39 N -2.13 2.59 0.09 4.50 0.01 -1.26 -2.62 113.70 114.87 2dmk s SER 39 Ca 0.30 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 2dmk s SER 39 Cb -0.13 -0.87 -0.11 0.00 0.21 0.00 0.00 66.02 65.12 2dmk s SER 39 CO 0.22 -0.17 1.36 -0.78 0.41 0.00 0.00 173.24 174.29 2dmk h ASP 40 N 8.15 0.78 -2.70 2.44 1.82 -1.94 -3.42 116.42 121.54 2dmk h ASP 40 Ca -0.26 -0.54 -0.41 0.00 -0.39 0.00 0.00 57.03 55.43 2dmk h ASP 40 Cb 1.12 -0.23 -0.38 0.00 0.68 0.00 0.00 39.33 40.52 2dmk h ASP 40 CO 0.40 1.17 -0.70 -1.81 -1.61 0.00 0.00 179.24 176.69 2dmk s ASP 41 N -6.71 2.23 -0.14 2.28 1.01 -1.26 -4.99 116.67 109.09 2dmk s ASP 41 Ca -0.12 -0.67 0.19 0.00 0.71 0.00 0.00 52.55 52.66 2dmk s ASP 41 Cb 0.08 0.03 -0.27 0.00 1.01 0.00 0.00 42.92 43.77 2dmk s ASP 41 CO 0.85 -0.37 0.19 -1.84 0.21 0.00 0.00 175.17 174.21 2dmk n GLU 42 N 5.29 0.74 -0.59 8.23 0.28 -1.26 -4.34 120.64 128.99 2dmk n GLU 42 Ca -0.06 -0.07 0.46 0.00 -0.16 0.00 0.00 57.16 57.34 2dmk n GLU 42 Cb 0.47 -1.50 0.73 0.00 1.43 0.00 0.00 31.44 32.57 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 -2.57 0.28 0.02 -1.84 3.01 -1.26 0.16 117.46 115.26 2dmk n PHE 43 Ca -0.23 0.28 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 2dmk n PHE 43 Cb 0.95 -0.74 -0.14 0.00 -0.01 0.00 0.00 39.48 39.54 2dmk n PHE 43 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dmk h SER 44 N 0.00 0.40 -2.60 4.37 0.87 -2.00 -3.46 113.55 111.13 2dmk h SER 44 Ca 0.88 -0.80 -0.53 0.00 -1.23 0.00 0.00 61.79 60.11 2dmk h SER 44 Cb 3.26 -0.13 0.03 0.00 -0.44 0.00 0.00 62.40 65.13 2dmk h SER 44 CO -0.19 1.70 1.06 -0.63 -0.53 0.00 0.00 176.83 178.24 2dmk s ILE 45 N -2.57 2.70 0.08 2.23 1.01 0.43 -4.27 121.20 120.80 2dmk s ILE 45 Ca -0.18 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2dmk s ILE 45 Cb 0.07 -3.14 -0.25 0.00 0.01 0.00 0.00 42.46 39.15 2dmk s ILE 45 CO 0.80 0.00 1.12 -1.28 0.00 0.00 0.00 174.94 175.58 2dmk h SER 46 N 8.37 0.19 -4.43 3.58 0.87 -1.42 -3.48 113.55 117.23 2dmk h SER 46 Ca -0.45 -0.22 0.21 0.00 -1.23 0.00 0.00 61.79 60.10 2dmk h SER 46 Cb 1.21 -0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 62.93 2dmk h SER 46 CO 0.94 1.18 0.72 -0.94 -0.53 0.00 0.00 176.83 178.19 2dmk s SER 47 N -6.84 -0.20 0.14 6.23 1.04 -1.12 -5.04 113.70 107.91 2dmk s SER 47 Ca -0.02 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.45 2dmk s SER 47 Cb 0.08 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2dmk s SER 47 CO 0.85 -0.36 0.04 -0.31 0.98 0.00 0.00 173.24 174.44 2dmk s TYR 48 N -2.64 2.99 -0.10 5.02 2.02 -0.77 -2.57 117.35 121.31 2dmk s TYR 48 Ca 0.08 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2dmk s TYR 48 Cb -0.01 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2dmk s TYR 48 CO -0.06 0.51 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.27 2dmk s GLU 49 N -2.75 2.22 -0.24 -0.62 2.56 -0.81 -3.63 118.70 115.43 2dmk s GLU 49 Ca 0.28 -0.57 -0.13 0.00 0.00 0.00 0.00 54.97 54.55 2dmk s GLU 49 Cb -0.10 -1.84 -0.04 0.00 2.00 0.00 0.00 34.13 34.14 2dmk s GLU 49 CO 0.20 -0.01 0.29 -1.17 -0.56 0.00 0.00 175.26 174.00 2dmk s LEU 50 N 0.84 4.11 -0.19 2.70 2.96 -1.24 -1.65 118.68 126.20 2dmk s LEU 50 Ca -0.10 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2dmk s LEU 50 Cb -0.15 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.26 2dmk s LEU 50 CO 0.01 -0.04 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.78 2dmk s GLN 51 N 1.39 2.15 0.14 1.98 -0.21 -0.98 -2.33 119.66 121.81 2dmk s GLN 51 Ca 0.13 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.71 2dmk s GLN 51 Cb -0.15 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2dmk s GLN 51 CO 0.07 -0.39 -0.06 1.52 -2.12 0.00 0.00 175.29 174.31 2dmk s TYR 52 N 1.38 1.14 -0.20 0.91 1.13 -0.91 0.13 117.35 120.93 2dmk s TYR 52 Ca -0.00 -0.87 -0.28 0.00 -1.41 0.00 0.00 57.07 54.51 2dmk s TYR 52 Cb -0.16 -0.62 0.10 0.00 -1.10 0.00 0.00 41.96 40.18 2dmk s TYR 52 CO -0.09 -0.06 0.85 -0.08 -2.51 0.00 0.00 175.55 173.66 2dmk s THR 53 N -3.50 0.00 -0.03 -3.49 -1.32 -1.05 -0.85 115.64 105.41 2dmk s THR 53 Ca 0.17 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 2dmk s THR 53 Cb 0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.97 2dmk s THR 53 CO -0.00 0.00 1.61 -0.63 -2.21 0.00 0.00 174.62 173.39 2dmk s ILE 54 N -0.35 3.52 -0.44 5.08 1.01 -1.26 -2.63 121.20 126.14 2dmk s ILE 54 Ca -0.02 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 2dmk s ILE 54 Cb -0.03 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 39.04 2dmk s ILE 54 CO 0.01 -0.05 0.31 0.12 0.00 0.00 0.00 174.94 175.33 2dmk s PHE 55 N 3.59 3.31 -0.75 3.97 2.19 -0.95 -4.96 117.98 124.37 2dmk s PHE 55 Ca 0.72 -1.33 0.00 0.00 0.33 0.00 0.00 56.93 56.64 2dmk s PHE 55 Cb -0.34 -3.04 0.37 0.00 -1.31 0.00 0.00 43.02 38.70 2dmk s PHE 55 CO 0.29 -0.83 1.76 0.25 1.83 0.00 0.00 175.22 178.52 2dmk n THR 56 N 5.01 3.41 -2.54 0.12 -2.24 -1.26 -4.04 114.28 112.74 2dmk n THR 56 Ca -0.11 -4.58 -0.12 0.00 -2.27 0.00 0.00 64.05 56.97 2dmk n THR 56 Cb 0.43 -1.27 0.01 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.49 0.06 3.96 3.38 0.00 -1.26 -4.93 105.19 105.90 2dmk n GLY 57 Ca 0.49 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.13 3.10 0.44 1.61 1.11 -1.26 -4.95 119.66 118.58 2dmk s GLN 58 Ca 0.12 -0.55 0.31 0.00 0.01 0.00 0.00 55.36 55.24 2dmk s GLN 58 Cb -0.01 -2.60 1.43 0.00 -1.01 0.00 0.00 33.01 30.82 2dmk s GLN 58 CO 0.26 -0.19 1.62 0.00 0.01 0.00 0.00 175.29 176.99 2dmk h ALA 59 N 0.49 2.76 -1.94 6.09 0.00 -2.02 -3.39 119.26 121.26 2dmk h ALA 59 Ca -0.46 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2dmk h ALA 59 Cb 1.25 0.21 -0.22 0.00 0.00 0.00 0.00 17.79 19.03 2dmk h ALA 59 CO 0.57 -1.40 0.06 1.21 0.00 0.00 0.00 179.25 179.69 2dmk s ASN 60 N -4.47 -0.90 0.57 0.00 3.04 -1.26 -5.01 114.94 106.91 2dmk s ASN 60 Ca -0.08 1.44 0.34 0.00 0.04 0.00 0.00 52.86 54.61 2dmk s ASN 60 Cb 0.30 1.39 1.43 0.00 -1.54 0.00 0.00 41.25 42.82 2dmk s ASN 60 CO 0.82 -0.23 1.70 0.15 -3.04 0.00 0.00 177.10 176.50 2dmk h PHE 61 N 6.91 0.00 -0.09 0.43 3.57 -2.01 0.25 116.94 126.01 2dmk h PHE 61 Ca -0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2dmk h PHE 61 Cb 1.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2dmk h PHE 61 CO 0.06 0.00 0.02 0.82 -2.23 0.00 0.00 178.31 176.98 2dmk h ILE 62 N 0.00 1.21 -1.00 1.41 1.08 -1.95 0.16 117.51 118.42 2dmk h ILE 62 Ca 0.50 -0.63 0.22 0.00 -0.39 0.00 0.00 64.86 64.56 2dmk h ILE 62 Cb 2.31 1.46 -0.11 0.00 -3.07 0.00 0.00 36.82 37.41 2dmk h ILE 62 CO -0.01 0.18 0.61 -1.28 -0.69 0.00 0.00 178.15 176.97 2dmk h SER 63 N -0.08 0.69 0.13 1.72 0.87 -0.90 1.03 113.55 117.01 2dmk h SER 63 Ca 0.03 0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 2dmk h SER 63 Cb 0.27 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2dmk h SER 63 CO 0.00 0.19 -0.81 0.25 -0.53 0.00 0.00 176.83 175.94 2dmk h LEU 64 N 0.64 0.44 -1.59 2.23 5.85 -1.49 -3.27 115.31 118.12 2dmk h LEU 64 Ca 0.60 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2dmk h LEU 64 Cb 1.09 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2dmk h LEU 64 CO -0.39 1.39 0.00 0.22 -0.34 0.00 0.00 178.44 179.31 2dmk h TYR 65 N -0.40 0.00 -0.97 1.25 3.20 0.38 -2.82 116.97 117.62 2dmk h TYR 65 Ca -0.14 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.74 2dmk h TYR 65 Cb 1.62 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.84 2dmk h TYR 65 CO 0.20 0.00 0.64 -0.91 -1.64 0.00 0.00 178.16 176.45 2dmk h ASN 66 N 0.00 1.11 -2.17 -2.11 -0.26 0.10 -2.94 115.58 109.31 2dmk h ASN 66 Ca 0.00 -0.03 -0.79 0.00 -0.56 0.00 0.00 56.30 54.92 2dmk h ASN 66 Cb 0.33 -0.27 -0.27 0.00 -1.06 0.00 0.00 38.32 37.04 2dmk h ASN 66 CO 0.00 0.80 1.03 -1.20 -1.06 0.00 0.00 177.43 176.99 2dmk n SER 67 N -4.41 7.38 0.01 5.81 7.64 -1.06 -4.74 113.62 124.24 2dmk n SER 67 Ca 0.11 -3.74 0.12 0.00 1.01 0.00 0.00 58.87 56.37 2dmk n SER 67 Cb 0.02 -1.13 0.55 0.00 -1.01 0.00 0.00 64.21 62.64 2dmk n SER 67 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2dmk h VAL 68 N 2.16 0.92 0.00 0.44 2.07 -1.70 -0.45 116.25 119.69 2dmk h VAL 68 Ca 0.54 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.97 2dmk h VAL 68 Cb 0.23 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2dmk h VAL 68 CO 1.25 0.05 0.28 -0.78 0.02 0.00 0.00 177.57 178.40 2dmk h ASP 69 N 0.27 0.00 0.67 0.57 3.58 -1.90 0.50 116.42 120.11 2dmk h ASP 69 Ca 0.20 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.38 2dmk h ASP 69 Cb 0.44 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2dmk h ASP 69 CO -0.04 0.00 -1.43 -1.28 -2.88 0.00 0.00 179.24 173.61 2dmk h SER 70 N 0.00 0.06 -2.73 2.28 0.87 -1.47 -3.47 113.55 109.09 2dmk h SER 70 Ca 0.00 -0.09 -0.55 0.00 -1.23 0.00 0.00 61.79 59.92 2dmk h SER 70 Cb 0.57 -0.02 0.21 0.00 -0.44 0.00 0.00 62.40 62.72 2dmk h SER 70 CO 0.00 1.08 -1.05 0.79 -0.53 0.00 0.00 176.83 177.12 2dmk n TRP 71 N -3.22 -2.80 -3.55 2.24 7.02 0.17 -4.94 117.44 112.36 2dmk n TRP 71 Ca -0.11 0.18 -0.38 0.00 -1.02 0.00 0.00 57.50 56.18 2dmk n TRP 71 Cb 1.01 -1.68 -0.06 0.00 -2.42 0.00 0.00 31.31 28.16 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 -2.60 3.93 0.01 -0.99 -1.94 -0.03 -4.95 119.30 112.72 2dmk s MET 72 Ca 0.53 0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.85 2dmk s MET 72 Cb -0.26 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 2dmk s MET 72 CO 0.71 0.59 -0.19 0.42 -0.01 0.00 0.00 175.02 176.54 2dmk s ILE 73 N -0.70 1.52 -0.37 2.53 1.09 -1.26 -2.15 121.20 121.87 2dmk s ILE 73 Ca 0.21 -0.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 2dmk s ILE 73 Cb -0.15 -1.29 0.13 0.00 -1.06 0.00 0.00 42.46 40.09 2dmk s ILE 73 CO 0.10 0.33 0.19 -0.69 -0.10 0.00 0.00 174.94 174.77 2dmk s VAL 74 N -0.58 0.73 0.93 2.92 1.01 -0.98 -4.99 120.40 119.43 2dmk s VAL 74 Ca 0.07 -1.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 2dmk s VAL 74 Cb -0.08 -1.53 0.23 0.00 0.00 0.00 0.00 36.38 35.00 2dmk s VAL 74 CO 0.00 -0.87 0.83 -0.81 0.00 0.00 0.00 175.10 174.25 2dmk n PRO 75 N 4.13 -2.62 -3.20 2.72 -0.04 -1.26 -3.73 135.00 131.00 2dmk n PRO 75 Ca 0.06 -1.32 -0.14 0.00 -0.04 0.00 0.00 63.50 62.06 2dmk n PRO 75 Cb 0.37 -1.24 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.41 -2.09 -4.19 3.54 3.02 -1.26 -5.00 115.26 104.87 2dmk n ASN 76 Ca 0.11 -0.52 -0.36 0.00 -0.03 0.00 0.00 54.58 53.78 2dmk n ASN 76 Cb 0.44 -4.39 -0.13 0.00 -0.61 0.00 0.00 39.78 35.10 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 -3.30 3.31 -0.33 2.41 1.01 -1.24 -4.96 121.20 118.11 2dmk s ILE 77 Ca 0.01 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.26 2dmk s ILE 77 Cb -0.00 -2.98 0.45 0.00 0.01 0.00 0.00 42.46 39.94 2dmk s ILE 77 CO 0.61 -0.26 1.24 0.29 0.00 0.00 0.00 174.94 176.82 2dmk n LYS 78 N 4.68 3.54 -4.28 2.79 4.76 -1.26 -1.85 118.16 126.54 2dmk n LYS 78 Ca -0.11 -4.15 -0.18 0.00 -2.87 0.00 0.00 58.31 51.01 2dmk n LYS 78 Cb 0.43 -2.28 -0.09 0.00 -1.84 0.00 0.00 35.03 31.26 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 -3.61 1.65 -0.13 1.97 0.00 -1.26 -5.05 119.66 113.23 2dmk s GLN 79 Ca 0.52 -1.95 0.17 0.00 -0.00 0.00 0.00 55.36 54.09 2dmk s GLN 79 Cb 0.42 0.26 0.67 0.00 0.00 0.00 0.00 33.01 34.36 2dmk s GLN 79 CO 0.01 -0.59 1.59 0.09 0.00 0.00 0.00 175.29 176.39 2dmk n ASN 80 N -1.28 4.64 -3.46 12.60 4.13 -1.26 -4.89 115.26 125.74 2dmk n ASN 80 Ca 0.06 -2.57 0.01 0.00 1.68 0.00 0.00 54.58 53.76 2dmk n ASN 80 Cb 0.63 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 38.26 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 -2.06 -0.46 -0.13 3.10 -3.43 -1.26 -0.40 115.29 110.65 2dmk s HIS 81 Ca 0.48 0.84 0.02 0.00 -0.80 0.00 0.00 55.06 55.60 2dmk s HIS 81 Cb 0.33 0.28 0.01 0.00 -1.43 0.00 0.00 32.58 31.76 2dmk s HIS 81 CO 0.20 -0.23 -0.21 -0.47 -2.00 0.00 0.00 174.74 172.03 2dmk s TYR 82 N 1.90 2.67 -0.54 0.38 6.14 -1.23 -4.96 117.35 121.70 2dmk s TYR 82 Ca -0.04 -1.24 -0.25 0.00 0.64 0.00 0.00 57.07 56.18 2dmk s TYR 82 Cb -0.04 -1.81 0.04 0.00 0.42 0.00 0.00 41.96 40.57 2dmk s TYR 82 CO -0.16 -0.55 0.97 0.99 0.64 0.00 0.00 175.55 177.44 2dmk s THR 83 N 0.72 4.35 -0.03 4.34 2.01 -1.26 -3.59 115.64 122.17 2dmk s THR 83 Ca -0.09 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 2dmk s THR 83 Cb -0.16 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.77 2dmk s THR 83 CO 0.00 -1.11 1.05 -0.69 -0.69 0.00 0.00 174.62 173.19 2dmk s VAL 84 N 4.05 4.63 -0.00 3.82 1.01 -0.67 -4.92 120.40 128.32 2dmk s VAL 84 Ca 0.33 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.23 2dmk s VAL 84 Cb -0.12 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2dmk s VAL 84 CO 0.21 0.08 -0.04 -1.00 0.00 0.00 0.00 175.10 174.35 2dmk s HIS 85 N 1.51 2.98 0.00 5.22 3.76 -1.26 -2.97 115.29 124.52 2dmk s HIS 85 Ca 0.52 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2dmk s HIS 85 Cb -0.22 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2dmk s HIS 85 CO 0.24 0.41 0.00 0.41 -0.85 0.00 0.00 174.74 174.95 2dmk n GLY 86 N 1.53 0.52 3.90 -2.22 0.00 -1.19 -5.05 105.19 102.67 2dmk n GLY 86 Ca -0.15 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.55 2.80 0.00 0.99 1.43 -1.19 -5.04 118.68 117.12 2dmk s LEU 87 Ca 0.00 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2dmk s LEU 87 Cb 0.00 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2dmk s LEU 87 CO 0.00 -1.05 0.04 -1.10 0.23 0.00 0.00 176.35 174.46 2dmk s GLN 88 N -4.27 2.90 0.44 1.70 -1.52 -1.26 -4.58 119.66 113.06 2dmk s GLN 88 Ca 0.37 -0.57 -0.22 0.00 -1.95 0.00 0.00 55.36 52.99 2dmk s GLN 88 Cb -0.02 -2.75 -0.09 0.00 -0.22 0.00 0.00 33.01 29.94 2dmk s GLN 88 CO 0.23 0.63 1.05 -1.54 -0.25 0.00 0.00 175.29 175.41 2dmk s SER 89 N -1.67 6.55 -1.05 5.90 1.04 -1.20 -4.03 113.70 119.25 2dmk s SER 89 Ca 0.21 2.02 -0.18 0.00 0.48 0.00 0.00 55.95 58.47 2dmk s SER 89 Cb -0.12 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.44 2dmk s SER 89 CO 0.12 -0.64 0.70 0.61 0.98 0.00 0.00 173.24 175.01 2dmk n GLY 90 N 0.12 -1.05 3.35 7.32 0.00 -1.16 -4.97 105.19 108.80 2dmk n GLY 90 Ca 0.07 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.31 0.02 0.43 2.61 2.01 -1.26 -4.98 115.64 111.16 2dmk s THR 91 Ca 0.31 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2dmk s THR 91 Cb -0.15 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 2dmk s THR 91 CO 0.90 -0.07 1.12 -0.13 -0.69 0.00 0.00 174.62 175.75 2dmk s ARG 92 N -0.39 3.96 -0.16 4.92 0.52 -1.26 -3.12 118.95 123.41 2dmk s ARG 92 Ca -0.05 1.67 -0.04 0.00 -0.52 0.00 0.00 55.73 56.79 2dmk s ARG 92 Cb -0.03 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.03 2dmk s ARG 92 CO 0.03 -0.36 0.26 0.71 0.02 0.00 0.00 175.30 175.96 2dmk s TYR 93 N -1.58 -0.41 0.01 -0.53 1.51 0.84 -2.24 117.35 114.95 2dmk s TYR 93 Ca 0.60 0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 57.20 2dmk s TYR 93 Cb -0.26 -0.14 -0.06 0.00 -0.11 0.00 0.00 41.96 41.40 2dmk s TYR 93 CO 0.32 -0.46 0.53 0.42 -1.11 0.00 0.00 175.55 175.24 2dmk s ILE 94 N 2.40 4.91 -0.02 2.71 1.01 -1.08 -1.95 121.20 129.18 2dmk s ILE 94 Ca 0.04 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.87 2dmk s ILE 94 Cb -0.13 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2dmk s ILE 94 CO -0.10 0.50 -0.24 -0.36 0.00 0.00 0.00 174.94 174.74 2dmk s PHE 95 N -0.64 2.11 -0.22 3.97 0.40 -0.61 -2.53 117.98 120.47 2dmk s PHE 95 Ca 0.28 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2dmk s PHE 95 Cb -0.18 -1.36 0.08 0.00 0.51 0.00 0.00 43.02 42.07 2dmk s PHE 95 CO 0.16 -0.04 0.15 0.42 0.70 0.00 0.00 175.22 176.60 2dmk s ILE 96 N -0.54 -0.16 0.23 0.64 1.01 0.12 -1.20 121.20 121.30 2dmk s ILE 96 Ca 0.09 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 2dmk s ILE 96 Cb -0.09 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.56 2dmk s ILE 96 CO -0.01 -0.40 0.83 -0.69 0.00 0.00 0.00 174.94 174.68 2dmk s VAL 97 N 2.19 4.33 -0.15 2.92 1.01 -1.26 -2.32 120.40 127.11 2dmk s VAL 97 Ca 0.05 1.70 -0.00 0.00 0.00 0.00 0.00 61.98 63.74 2dmk s VAL 97 Cb -0.16 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2dmk s VAL 97 CO -0.19 0.36 -0.10 -0.75 0.00 0.00 0.00 175.10 174.42 2dmk s LYS 98 N -1.56 1.85 -0.47 2.72 2.20 -0.66 -1.72 119.74 122.09 2dmk s LYS 98 Ca 0.42 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 55.31 2dmk s LYS 98 Cb -0.21 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 2dmk s LYS 98 CO 0.25 -0.31 0.85 0.00 -0.36 0.00 0.00 175.35 175.78 2dmk s ALA 99 N 1.58 3.26 -0.10 3.13 0.00 -0.72 -1.93 121.76 126.97 2dmk s ALA 99 Ca 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2dmk s ALA 99 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2dmk s ALA 99 CO -0.09 -2.04 0.03 0.42 0.00 0.00 0.00 175.76 174.08 2dmk s ILE 100 N 3.51 4.57 0.29 0.00 1.01 -1.06 -1.41 121.20 128.11 2dmk s ILE 100 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2dmk s ILE 100 Cb -0.12 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2dmk s ILE 100 CO 0.23 0.60 0.33 -0.46 0.00 0.00 0.00 174.94 175.64 2dmk n ASN 101 N 2.24 -0.90 -0.24 3.58 0.23 0.05 -1.27 115.26 118.94 2dmk n ASN 101 Ca -0.19 -2.69 0.13 0.00 -0.53 0.00 0.00 54.58 51.30 2dmk n ASN 101 Cb 0.54 1.81 0.41 0.00 -2.08 0.00 0.00 39.78 40.46 2dmk n ASN 101 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2dmk h GLN 102 N 0.00 0.60 0.00 -3.83 4.15 -1.96 -3.16 115.11 110.91 2dmk h GLN 102 Ca -0.21 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2dmk h GLN 102 Cb 1.00 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2dmk h GLN 102 CO 0.30 0.40 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 2dmk n ALA 103 N -2.46 -0.18 -2.21 3.38 0.00 -1.26 -5.06 120.51 112.72 2dmk n ALA 103 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2dmk n ALA 103 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.57 3.81 3.14 0.00 0.00 -1.19 -4.95 105.19 106.56 2dmk n GLY 104 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 1.79 0.10 -0.20 1.61 1.04 -1.26 -0.77 113.70 116.01 2dmk s SER 105 Ca 0.00 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 2dmk s SER 105 Cb 0.00 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.44 2dmk s SER 105 CO 0.00 -0.51 0.14 -0.60 0.98 0.00 0.00 173.24 173.25 2dmk s ARG 106 N -2.41 0.13 0.04 4.02 6.06 -0.50 -4.70 118.95 121.58 2dmk s ARG 106 Ca -0.06 -0.06 -0.23 0.00 -2.50 0.00 0.00 55.73 52.88 2dmk s ARG 106 Cb -0.02 -1.52 -0.06 0.00 0.06 0.00 0.00 34.95 33.41 2dmk s ARG 106 CO -0.03 -0.73 0.68 0.54 -2.50 0.00 0.00 175.30 173.26 2dmk s ASN 107 N 2.20 7.12 0.76 -2.12 4.22 -1.26 -1.76 114.94 124.10 2dmk s ASN 107 Ca 0.05 1.34 -0.05 0.00 -2.14 0.00 0.00 52.86 52.05 2dmk s ASN 107 Cb -0.16 -2.42 0.13 0.00 1.28 0.00 0.00 41.25 40.08 2dmk s ASN 107 CO -0.15 0.10 1.06 -0.55 -2.04 0.00 0.00 177.10 175.52 2dmk s SER 108 N -0.34 4.18 0.57 3.54 0.15 -0.70 -4.97 113.70 116.13 2dmk s SER 108 Ca 0.34 -0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.73 2dmk s SER 108 Cb -0.20 -0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 2dmk s SER 108 CO 0.21 -1.98 1.12 -1.61 1.20 0.00 0.00 173.24 172.17 2dmk s GLU 109 N -5.31 3.24 -0.04 5.44 2.02 -1.26 -4.75 118.70 118.04 2dmk s GLU 109 Ca 0.67 1.55 -0.30 0.00 0.02 0.00 0.00 54.97 56.90 2dmk s GLU 109 Cb -0.06 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 2dmk s GLU 109 CO 0.46 -0.93 1.48 -1.25 0.02 0.00 0.00 175.26 175.04 2dmk s PRO 110 N -3.48 4.24 -0.37 0.39 0.04 -1.26 -4.76 135.00 129.79 2dmk s PRO 110 Ca 0.71 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.65 2dmk s PRO 110 Cb -0.23 -3.74 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2dmk s PRO 110 CO 0.30 -0.69 0.22 0.99 0.04 0.00 0.00 177.00 177.86 2dmk s THR 111 N 3.11 4.77 0.32 1.26 2.01 -0.34 -4.93 115.64 121.84 2dmk s THR 111 Ca 0.66 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2dmk s THR 111 Cb -0.31 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 2dmk s THR 111 CO 0.26 -0.21 1.10 -0.13 -0.69 0.00 0.00 174.62 174.95 2dmk s ARG 112 N 1.60 4.46 0.08 4.92 1.81 -1.26 -1.58 118.95 128.98 2dmk s ARG 112 Ca 0.03 1.75 -0.10 0.00 -1.72 0.00 0.00 55.73 55.69 2dmk s ARG 112 Cb -0.19 -2.98 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2dmk s ARG 112 CO 0.08 0.06 0.22 -0.51 -0.68 0.00 0.00 175.30 174.46 2dmk s LEU 113 N -1.86 1.29 0.01 2.53 1.43 -0.82 -4.97 118.68 116.29 2dmk s LEU 113 Ca 0.49 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2dmk s LEU 113 Cb -0.30 1.12 -0.01 0.00 0.03 0.00 0.00 46.19 47.04 2dmk s LEU 113 CO 0.38 -0.71 -0.06 -0.54 0.23 0.00 0.00 176.35 175.65 2dmk s LYS 114 N -3.60 0.45 0.74 1.70 1.02 -1.26 -0.11 119.74 118.68 2dmk s LYS 114 Ca 0.03 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 2dmk s LYS 114 Cb 0.03 -0.38 0.13 0.00 -0.52 0.00 0.00 37.83 37.09 2dmk s LYS 114 CO -0.10 0.10 1.03 0.95 -0.92 0.00 0.00 175.35 176.41 2dmk s THR 115 N -0.45 2.16 0.06 2.17 -4.23 -1.18 -4.76 115.64 109.41 2dmk s THR 115 Ca -0.01 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.77 2dmk s THR 115 Cb -0.04 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.06 2dmk s THR 115 CO -0.00 0.00 0.74 0.20 -0.54 0.00 0.00 174.62 175.02 2dmk s ASN 116 N -4.72 7.21 0.00 3.99 0.01 -1.26 -4.42 114.94 115.75 2dmk s ASN 116 Ca 0.66 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 54.25 2dmk s ASN 116 Cb -0.06 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2dmk s ASN 116 CO 0.45 0.06 0.54 -1.20 -1.51 0.00 0.00 177.10 175.44 2dmk n SER 117 N 2.59 0.00 -3.98 -1.22 7.64 -1.26 -2.97 113.62 114.42 2dmk n SER 117 Ca -0.04 0.54 -0.16 0.00 1.01 0.00 0.00 58.87 60.22 2dmk n SER 117 Cb 0.50 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.96 0.52 0.00 1.43 0.74 -1.26 -3.27 119.66 115.86 2dmk s GLN 118 Ca 0.00 -0.27 0.15 0.00 0.05 0.00 0.00 55.36 55.29 2dmk s GLN 118 Cb 0.00 -0.49 0.90 0.00 1.10 0.00 0.00 33.01 34.52 2dmk s GLN 118 CO 0.00 0.13 1.31 -0.35 -0.55 0.00 0.00 175.29 175.84 2dmk n PRO 119 N 2.82 0.49 -1.38 1.67 -0.04 -1.26 -4.81 135.00 132.49 2dmk n PRO 119 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 2dmk n PRO 119 Cb 0.58 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.33 -0.14 0.54 0.40 -1.26 -5.04 117.98 112.82 2dmk s PHE 120 Ca 0.23 1.60 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 2dmk s PHE 120 Cb 0.10 -3.22 -0.00 0.00 0.51 0.00 0.00 43.02 40.41 2dmk s PHE 120 CO 0.17 -2.08 -0.17 0.21 0.70 0.00 0.00 175.22 174.05 2dmk s LYS 121 N -4.38 3.21 0.36 0.44 2.47 -1.26 -5.12 119.74 115.45 2dmk s LYS 121 Ca 0.67 -0.76 0.08 0.00 -1.56 0.00 0.00 55.97 54.39 2dmk s LYS 121 Cb -0.22 -2.57 -0.04 0.00 -1.46 0.00 0.00 37.83 33.55 2dmk s LYS 121 CO 0.49 0.07 0.22 0.45 0.16 0.00 0.00 175.35 176.74 2dmk s SER 122 N 0.67 4.89 -0.40 1.43 0.15 -1.26 -5.09 113.70 114.08 2dmk s SER 122 Ca -0.08 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 55.93 2dmk s SER 122 Cb -0.16 -0.76 0.24 0.00 -1.71 0.00 0.00 66.02 63.63 2dmk s SER 122 CO 0.02 -0.38 0.52 0.61 1.20 0.00 0.00 173.24 175.20 2dmk n GLY 123 N -1.28 2.60 0.00 9.45 0.00 -1.26 -4.94 105.19 109.76 2dmk n GLY 123 Ca -0.02 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.62 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 1.62 0.49 -1.07 1.61 -0.04 -1.26 -4.88 135.00 131.47 2dmk n PRO 124 Ca 0.22 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2dmk n PRO 124 Cb 0.53 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2dmk n PRO 124 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmk n SER 125 N -0.86 0.04 -4.55 3.54 7.64 -1.26 -4.60 113.62 113.58 2dmk n SER 125 Ca 0.08 0.82 -0.31 0.00 1.01 0.00 0.00 58.87 60.47 2dmk n SER 125 Cb 0.04 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2dmk n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmk n SER 126 N 1.16 1.95 0.00 6.43 3.41 -1.26 -5.31 113.62 119.99 2dmk n SER 126 Ca 0.15 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 2dmk n SER 126 Cb 0.05 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.47 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49