#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk h SER 2 N 0.00 -0.24 -4.80 1.61 0.87 -2.05 -3.42 113.55 105.51 2dmk h SER 2 Ca 0.00 0.25 -0.24 0.00 -1.23 0.00 0.00 61.79 60.57 2dmk h SER 2 Cb 0.00 0.40 -0.15 0.00 -0.44 0.00 0.00 62.40 62.21 2dmk h SER 2 CO 0.00 -0.31 -0.66 -0.44 -0.53 0.00 0.00 176.83 174.89 2dmk s SER 3 N -4.97 0.93 -0.43 6.23 0.01 -1.26 -4.89 113.70 109.32 2dmk s SER 3 Ca -0.12 -1.15 -0.03 0.00 1.31 0.00 0.00 55.95 55.96 2dmk s SER 3 Cb 0.29 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2dmk s SER 3 CO 0.78 -0.60 0.37 0.61 0.41 0.00 0.00 173.24 174.81 2dmk n GLY 4 N -0.15 0.45 3.30 3.44 0.00 -1.26 -5.03 105.19 105.94 2dmk n GLY 4 Ca -0.08 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2dmk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmk s SER 5 N -3.14 5.16 0.00 1.61 0.01 -1.26 -4.89 113.70 111.19 2dmk s SER 5 Ca 0.17 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2dmk s SER 5 Cb -0.07 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dmk s SER 5 CO 0.23 -0.25 0.00 -0.24 0.41 0.00 0.00 173.24 173.40 2dmk n SER 6 N 4.83 0.86 0.00 2.44 2.88 -1.26 -5.08 113.62 118.29 2dmk n SER 6 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2dmk n SER 6 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 2.56 0.06 3.75 0.46 0.00 -1.26 -5.09 105.19 105.66 2dmk n GLY 7 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2dmk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmk s GLU 8 N 0.00 4.66 0.00 1.61 2.12 -1.26 -4.99 118.70 120.84 2dmk s GLU 8 Ca 0.00 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.02 2dmk s GLU 8 Cb 0.00 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2dmk s GLU 8 CO 0.00 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2dmk n GLY 9 N 1.70 3.36 2.90 -1.50 0.00 -1.26 -4.95 105.19 105.44 2dmk n GLY 9 Ca 0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 0.45 -0.14 0.99 4.77 -1.26 -4.77 117.00 117.03 2dmk n LEU 10 Ca 0.00 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2dmk n LEU 10 Cb 0.00 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 2dmk n LEU 10 CO 0.00 -0.64 0.65 -0.78 -1.33 0.00 0.00 177.39 175.29 2dmk h ASP 11 N 9.01 0.95 -2.03 -1.43 3.58 -2.03 -3.45 116.42 121.02 2dmk h ASP 11 Ca -0.06 -0.41 -0.62 0.00 0.42 0.00 0.00 57.03 56.35 2dmk h ASP 11 Cb 1.17 -0.26 0.11 0.00 1.72 0.00 0.00 39.33 42.07 2dmk h ASP 11 CO 1.06 1.15 -0.10 0.00 -2.88 0.00 0.00 179.24 178.47 2dmk n TYR 12 N -4.16 0.62 0.00 0.28 0.18 -1.26 -4.89 117.16 107.92 2dmk n TYR 12 Ca -0.01 0.78 0.00 0.00 1.88 0.00 0.00 57.90 60.55 2dmk n TYR 12 Cb 0.46 -2.15 0.00 0.00 -0.38 0.00 0.00 39.34 37.27 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 2dmk n LEU 13 N 1.45 0.00 -0.52 -3.48 7.94 -1.26 -4.76 117.00 116.37 2dmk n LEU 13 Ca 0.12 -0.37 0.40 0.00 -1.11 0.00 0.00 56.01 55.05 2dmk n LEU 13 Cb 0.30 0.00 0.62 0.00 0.53 0.00 0.00 43.42 44.87 2dmk n LEU 13 CO 0.58 0.00 1.12 1.07 -1.11 0.00 0.00 177.39 179.06 2dmk n THR 14 N -0.75 -0.03 -3.85 1.96 5.66 -1.26 -4.07 114.28 111.94 2dmk n THR 14 Ca 0.00 1.19 -0.13 0.00 -3.05 0.00 0.00 64.05 62.07 2dmk n THR 14 Cb 0.00 -1.98 -0.14 0.00 -1.55 0.00 0.00 70.33 66.66 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 -4.50 0.00 -0.03 1.79 0.00 -1.26 -3.00 121.76 114.76 2dmk s ALA 15 Ca -0.04 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 2dmk s ALA 15 Cb 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2dmk s ALA 15 CO 0.68 -0.03 1.48 -1.25 0.00 0.00 0.00 175.76 176.65 2dmk s PRO 16 N 0.23 4.24 0.13 0.00 0.04 -1.26 -4.93 135.00 133.45 2dmk s PRO 16 Ca -0.02 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 62.71 2dmk s PRO 16 Cb -0.03 -3.73 -0.18 0.00 0.04 0.00 0.00 34.50 30.61 2dmk s PRO 16 CO -0.01 -0.69 0.79 0.27 0.04 0.00 0.00 177.00 177.41 2dmk n ASN 17 N 6.10 -0.48 -4.72 6.66 0.23 -1.26 -4.37 115.26 117.42 2dmk n ASN 17 Ca 0.15 1.14 -0.42 0.00 -0.53 0.00 0.00 54.58 54.92 2dmk n ASN 17 Cb 0.43 -0.97 -0.03 0.00 -2.08 0.00 0.00 39.78 37.13 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dmk s PRO 18 N -0.59 4.35 0.99 -0.53 0.04 -1.26 -4.80 135.00 133.20 2dmk s PRO 18 Ca 0.75 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.70 2dmk s PRO 18 Cb -1.04 -3.24 0.18 0.00 0.04 0.00 0.00 34.50 30.44 2dmk s PRO 18 CO 0.56 -0.37 1.09 -1.25 0.04 0.00 0.00 177.00 177.08 2dmk s PRO 19 N 0.76 0.50 -0.33 0.56 0.04 -1.26 -4.89 135.00 130.38 2dmk s PRO 19 Ca 0.62 0.55 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2dmk s PRO 19 Cb -0.36 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.54 2dmk s PRO 19 CO 0.32 -2.69 0.05 -1.12 0.04 0.00 0.00 177.00 173.60 2dmk s SER 20 N -3.45 4.61 -0.53 6.66 0.01 0.22 -4.82 113.70 116.40 2dmk s SER 20 Ca 0.65 -2.03 -0.27 0.00 1.31 0.00 0.00 55.95 55.62 2dmk s SER 20 Cb -0.19 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2dmk s SER 20 CO 0.58 -0.38 1.98 -0.63 0.41 0.00 0.00 173.24 175.20 2dmk s ILE 21 N 1.04 3.29 -0.00 1.44 1.01 -1.26 -1.04 121.20 125.68 2dmk s ILE 21 Ca 0.10 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2dmk s ILE 21 Cb -0.19 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 2dmk s ILE 21 CO -0.11 -0.61 1.37 -0.13 0.00 0.00 0.00 174.94 175.46 2dmk s ARG 22 N 7.06 4.29 0.10 2.79 1.81 0.32 -4.91 118.95 130.42 2dmk s ARG 22 Ca 0.77 1.92 0.16 0.00 -1.72 0.00 0.00 55.73 56.86 2dmk s ARG 22 Cb -0.16 -3.56 -0.11 0.00 -0.45 0.00 0.00 34.95 30.68 2dmk s ARG 22 CO 0.24 -0.55 0.94 0.93 -0.68 0.00 0.00 175.30 176.18 2dmk h GLU 23 N 7.75 0.00 0.00 3.54 5.08 -1.92 -2.83 114.58 126.20 2dmk h GLU 23 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2dmk h GLU 23 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2dmk h GLU 23 CO 0.90 0.35 -0.05 1.05 -1.00 0.00 0.00 179.01 180.26 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.96 -3.25 114.58 115.81 2dmk h GLU 24 Ca -0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.09 2dmk h GLU 24 Cb 1.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 2dmk h GLU 24 CO 0.05 0.05 -1.98 1.28 0.07 0.00 0.00 179.01 178.49 2dmk n LEU 25 N -3.11 0.28 -4.75 3.06 4.77 -1.25 -4.93 117.00 111.06 2dmk n LEU 25 Ca 0.04 0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.74 2dmk n LEU 25 Cb 0.53 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.81 2dmk n LEU 25 CO 0.34 0.26 0.78 0.00 -1.33 0.00 0.00 177.39 177.44 2dmk s THR 27 N -0.98 2.95 -0.03 0.00 -4.23 -0.61 -4.93 115.64 107.81 2dmk s THR 27 Ca 0.45 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2dmk s THR 27 Cb -0.31 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2dmk s THR 27 CO 0.39 -0.28 -0.12 0.00 -0.54 0.00 0.00 174.62 174.07 2dmk s ALA 28 N -2.44 1.14 0.26 3.99 0.00 -1.26 -1.96 121.76 121.49 2dmk s ALA 28 Ca 0.33 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2dmk s ALA 28 Cb -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2dmk s ALA 28 CO 0.19 0.19 -0.01 -1.12 0.00 0.00 0.00 175.76 175.02 2dmk s SER 29 N 0.17 2.16 0.11 0.00 0.01 0.29 -4.45 113.70 111.98 2dmk s SER 29 Ca -0.04 -1.23 -0.26 0.00 1.31 0.00 0.00 55.95 55.73 2dmk s SER 29 Cb -0.10 -0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.00 2dmk s SER 29 CO 0.01 -0.48 1.44 1.12 0.41 0.00 0.00 173.24 175.74 2dmk h HIS 30 N 2.37 -1.43 -0.64 2.43 2.07 -1.93 -3.05 115.15 114.97 2dmk h HIS 30 Ca -0.39 0.08 -0.45 0.00 -2.85 0.00 0.00 60.37 56.76 2dmk h HIS 30 Cb 1.23 0.69 -0.41 0.00 2.57 0.00 0.00 27.41 31.50 2dmk h HIS 30 CO 0.60 -0.36 -0.88 -0.25 -3.07 0.00 0.00 177.93 173.98 2dmk n ASP 31 N -4.83 3.97 -3.49 3.10 8.00 -1.26 -2.54 116.55 119.49 2dmk n ASP 31 Ca -0.01 -3.33 -0.15 0.00 0.71 0.00 0.00 54.79 52.01 2dmk n ASP 31 Cb 0.25 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 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 -4.30 0.00 -0.19 -3.53 2.01 -1.15 -1.99 115.64 106.48 2dmk s THR 32 Ca 0.45 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.31 2dmk s THR 32 Cb 0.39 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.95 2dmk s THR 32 CO 0.01 0.00 0.49 -0.63 -0.69 0.00 0.00 174.62 173.80 2dmk s ILE 33 N -2.04 -0.01 -0.33 1.82 1.01 -1.05 0.11 121.20 120.70 2dmk s ILE 33 Ca -0.06 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 2dmk s ILE 33 Cb -0.00 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.82 2dmk s ILE 33 CO 0.02 0.01 0.08 -0.89 0.00 0.00 0.00 174.94 174.16 2dmk s THR 34 N 0.82 3.45 -0.18 2.92 2.01 -0.83 -1.34 115.64 122.49 2dmk s THR 34 Ca -0.05 -1.33 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 2dmk s THR 34 Cb -0.05 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2dmk s THR 34 CO -0.06 -0.21 0.45 -0.69 -0.69 0.00 0.00 174.62 173.41 2dmk s VAL 35 N 1.32 5.17 -0.18 3.82 1.01 -1.24 -1.57 120.40 128.73 2dmk s VAL 35 Ca -0.02 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 2dmk s VAL 35 Cb -0.20 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2dmk s VAL 35 CO 0.01 0.25 -0.00 -1.00 0.00 0.00 0.00 175.10 174.35 2dmk s HIS 36 N 1.25 3.07 0.10 5.22 3.76 -1.26 -3.19 115.29 124.25 2dmk s HIS 36 Ca 0.22 -0.31 0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2dmk s HIS 36 Cb -0.15 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2dmk s HIS 36 CO 0.09 -0.10 -0.23 1.67 -0.85 0.00 0.00 174.74 175.31 2dmk s TRP 37 N 0.68 2.02 0.06 1.40 -2.14 -0.89 0.12 118.94 120.19 2dmk s TRP 37 Ca -0.00 -0.40 0.06 0.00 2.66 0.00 0.00 56.10 58.42 2dmk s TRP 37 Cb -0.14 -1.12 -0.03 0.00 -3.10 0.00 0.00 33.47 29.08 2dmk s TRP 37 CO 0.02 0.23 -0.17 -1.50 -2.66 0.00 0.00 176.95 172.88 2dmk s ILE 38 N -1.05 1.33 0.04 0.66 2.07 -0.21 -4.82 121.20 119.22 2dmk s ILE 38 Ca 0.10 -1.25 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 2dmk s ILE 38 Cb -0.10 -1.22 -0.03 0.00 0.13 0.00 0.00 42.46 41.24 2dmk s ILE 38 CO 0.04 -0.06 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.54 2dmk s SER 39 N -1.52 0.48 0.02 4.50 0.01 -1.26 0.69 113.70 116.63 2dmk s SER 39 Ca 0.02 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 56.48 2dmk s SER 39 Cb -0.09 0.13 -0.30 0.00 0.21 0.00 0.00 66.02 65.97 2dmk s SER 39 CO 0.02 -0.41 0.93 0.44 0.41 0.00 0.00 173.24 174.62 2dmk h ASP 40 N 3.93 0.51 -3.02 2.44 5.19 -1.94 -3.43 116.42 120.10 2dmk h ASP 40 Ca -0.33 -0.63 -0.56 0.00 -0.62 0.00 0.00 57.03 54.88 2dmk h ASP 40 Cb 1.18 -0.16 -0.40 0.00 0.18 0.00 0.00 39.33 40.12 2dmk h ASP 40 CO 0.52 1.51 -0.77 -1.81 -3.12 0.00 0.00 179.24 175.58 2dmk s ASP 41 N -7.16 3.83 -0.04 6.45 1.11 -1.26 -4.96 116.67 114.64 2dmk s ASP 41 Ca -0.09 -1.54 0.19 0.00 0.18 0.00 0.00 52.55 51.29 2dmk s ASP 41 Cb 0.06 -0.68 -0.22 0.00 1.07 0.00 0.00 42.92 43.15 2dmk s ASP 41 CO 0.88 -0.42 0.50 -1.84 1.18 0.00 0.00 175.17 175.47 2dmk n GLU 42 N 4.96 0.65 -0.35 8.23 0.28 -1.26 -4.28 120.64 128.86 2dmk n GLU 42 Ca -0.03 0.03 0.25 0.00 -0.16 0.00 0.00 57.16 57.26 2dmk n GLU 42 Cb 0.42 -1.64 0.51 0.00 1.43 0.00 0.00 31.44 32.16 2dmk n GLU 42 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2dmk h PHE 43 N 0.00 0.79 -0.27 -1.84 -1.00 -1.99 0.42 116.94 113.04 2dmk h PHE 43 Ca -0.23 0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.41 2dmk h PHE 43 Cb 1.61 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.96 2dmk h PHE 43 CO 0.00 -0.09 -0.49 1.03 -1.61 0.00 0.00 178.31 177.14 2dmk h SER 44 N 0.33 0.91 -2.51 2.17 0.87 -1.99 -3.43 113.55 109.90 2dmk h SER 44 Ca 0.71 -0.53 -0.56 0.00 -1.23 0.00 0.00 61.79 60.18 2dmk h SER 44 Cb 1.76 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2dmk h SER 44 CO -0.47 1.27 1.20 -0.63 -0.53 0.00 0.00 176.83 177.67 2dmk s ILE 45 N -4.13 3.40 -0.13 2.23 1.01 0.15 -4.47 121.20 119.25 2dmk s ILE 45 Ca -0.11 0.46 0.16 0.00 0.00 0.00 0.00 60.65 61.16 2dmk s ILE 45 Cb 0.09 -3.37 0.09 0.00 0.01 0.00 0.00 42.46 39.28 2dmk s ILE 45 CO 0.87 -0.12 1.49 -1.28 0.00 0.00 0.00 174.94 175.90 2dmk h SER 46 N 11.09 0.00 -4.50 3.58 0.87 -1.69 -3.47 113.55 119.43 2dmk h SER 46 Ca -0.40 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.24 2dmk h SER 46 Cb 1.19 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.97 2dmk h SER 46 CO 0.97 0.46 0.47 -0.94 -0.53 0.00 0.00 176.83 177.26 2dmk s SER 47 N -6.44 -0.41 0.14 6.23 1.04 -1.21 -5.03 113.70 108.03 2dmk s SER 47 Ca 0.04 0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.76 2dmk s SER 47 Cb 0.08 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2dmk s SER 47 CO 0.73 -0.53 0.05 -0.31 0.98 0.00 0.00 173.24 174.17 2dmk s TYR 48 N -2.16 3.00 -0.07 5.02 2.02 -0.87 -2.47 117.35 121.83 2dmk s TYR 48 Ca 0.00 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2dmk s TYR 48 Cb -0.01 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2dmk s TYR 48 CO -0.03 0.51 -0.14 -2.00 -1.57 0.00 0.00 175.55 172.32 2dmk s GLU 49 N -2.78 1.91 0.10 -0.62 2.12 -0.67 -3.40 118.70 115.35 2dmk s GLU 49 Ca 0.28 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 2dmk s GLU 49 Cb -0.10 -1.55 -0.05 0.00 0.26 0.00 0.00 34.13 32.69 2dmk s GLU 49 CO 0.20 0.06 0.28 -1.17 -0.54 0.00 0.00 175.26 174.10 2dmk s LEU 50 N 0.57 4.32 -0.19 2.70 2.96 -1.22 -0.25 118.68 127.58 2dmk s LEU 50 Ca -0.15 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 2dmk s LEU 50 Cb -0.16 -3.10 0.10 0.00 0.50 0.00 0.00 46.19 43.52 2dmk s LEU 50 CO 0.04 0.12 0.30 -1.10 -1.32 0.00 0.00 176.35 174.39 2dmk s GLN 51 N -2.60 0.24 0.09 1.98 -0.21 -1.06 -2.54 119.66 115.56 2dmk s GLN 51 Ca 0.37 0.57 0.04 0.00 0.02 0.00 0.00 55.36 56.36 2dmk s GLN 51 Cb -0.13 -0.45 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 2dmk s GLN 51 CO 0.27 -0.49 -0.11 1.52 -2.12 0.00 0.00 175.29 174.36 2dmk s TYR 52 N 2.45 1.12 -0.24 0.91 1.13 -0.75 -0.29 117.35 121.68 2dmk s TYR 52 Ca 0.06 -0.59 -0.23 0.00 -1.41 0.00 0.00 57.07 54.89 2dmk s TYR 52 Cb -0.14 -0.61 0.07 0.00 -1.10 0.00 0.00 41.96 40.17 2dmk s TYR 52 CO -0.12 0.03 0.67 -0.08 -2.51 0.00 0.00 175.55 173.54 2dmk s THR 53 N -2.08 0.00 -0.19 -3.49 -1.32 -0.93 -1.46 115.64 106.17 2dmk s THR 53 Ca 0.03 -0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.22 2dmk s THR 53 Cb -0.05 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 2dmk s THR 53 CO 0.01 -0.00 1.56 -0.63 -2.21 0.00 0.00 174.62 173.35 2dmk s ILE 54 N 0.30 3.77 -0.28 5.08 1.01 -1.26 -2.26 121.20 127.55 2dmk s ILE 54 Ca -0.00 0.88 -0.18 0.00 0.00 0.00 0.00 60.65 61.35 2dmk s ILE 54 Cb -0.05 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2dmk s ILE 54 CO 0.01 -0.25 0.52 0.12 0.00 0.00 0.00 174.94 175.35 2dmk s PHE 55 N 4.76 3.25 0.35 3.97 2.19 -1.11 -4.98 117.98 126.40 2dmk s PHE 55 Ca 0.69 0.55 0.05 0.00 0.33 0.00 0.00 56.93 58.55 2dmk s PHE 55 Cb -0.25 -2.78 -0.07 0.00 -1.31 0.00 0.00 43.02 38.61 2dmk s PHE 55 CO 0.27 -0.34 0.04 0.95 1.83 0.00 0.00 175.22 177.97 2dmk s THR 56 N 2.35 1.46 -0.82 0.12 -4.23 -1.26 -4.30 115.64 108.96 2dmk s THR 56 Ca 0.21 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.46 2dmk s THR 56 Cb -0.15 -2.83 -0.11 0.00 1.34 0.00 0.00 72.50 70.74 2dmk s THR 56 CO 0.10 -0.02 2.28 -0.83 -0.54 0.00 0.00 174.62 175.61 2dmk s GLY 57 N -3.55 -0.56 0.29 3.99 0.00 -1.26 -4.88 107.32 101.34 2dmk s GLY 57 Ca 0.36 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2dmk s GLY 57 CO 0.16 4.03 0.04 1.62 0.00 0.00 0.00 173.10 178.95 2dmk s GLN 58 N 8.39 1.52 0.94 2.90 0.74 -1.26 -5.15 119.66 127.75 2dmk s GLN 58 Ca 0.86 -1.82 -0.11 0.00 0.05 0.00 0.00 55.36 54.35 2dmk s GLN 58 Cb -0.11 -0.74 0.18 0.00 1.10 0.00 0.00 33.01 33.43 2dmk s GLN 58 CO 0.06 -0.16 0.40 0.00 -0.55 0.00 0.00 175.29 175.04 2dmk n ALA 59 N -0.57 -2.41 -1.18 1.58 0.00 -1.26 -4.64 120.51 112.03 2dmk n ALA 59 Ca -0.03 -0.70 -0.46 0.00 0.00 0.00 0.00 53.44 52.25 2dmk n ALA 59 Cb 0.65 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.06 0.29 -0.26 0.00 4.13 -1.26 -4.69 115.26 112.40 2dmk n ASN 60 Ca 0.06 0.87 0.03 0.00 1.68 0.00 0.00 54.58 57.22 2dmk n ASN 60 Cb 0.27 -0.67 0.09 0.00 -1.54 0.00 0.00 39.78 37.93 2dmk n ASN 60 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2dmk n PHE 61 N 1.73 0.21 -0.29 3.10 7.35 -1.26 0.95 117.46 129.24 2dmk n PHE 61 Ca 0.18 0.88 0.10 0.00 -0.76 0.00 0.00 57.45 57.84 2dmk n PHE 61 Cb 0.03 -0.88 0.20 0.00 0.35 0.00 0.00 39.48 39.17 2dmk n PHE 61 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2dmk n ILE 62 N -5.15 -0.35 -0.26 -2.13 2.08 -1.26 0.15 119.36 112.45 2dmk n ILE 62 Ca 0.11 1.87 0.06 0.00 0.56 0.00 0.00 62.75 65.35 2dmk n ILE 62 Cb 0.34 -2.69 0.19 0.00 -0.75 0.00 0.00 39.64 36.74 2dmk n ILE 62 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 2dmk h SER 63 N 0.00 0.03 0.01 4.38 0.87 0.30 1.47 113.55 120.61 2dmk h SER 63 Ca 0.47 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2dmk h SER 63 Cb 0.90 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2dmk h SER 63 CO -0.82 -0.04 -0.01 0.25 -0.53 0.00 0.00 176.83 175.69 2dmk h LEU 64 N 0.27 -0.01 -1.96 2.23 5.85 0.13 -3.25 115.31 118.57 2dmk h LEU 64 Ca 0.43 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2dmk h LEU 64 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2dmk h LEU 64 CO -0.52 0.84 0.00 0.22 -0.34 0.00 0.00 178.44 178.64 2dmk h TYR 65 N -0.91 0.00 -0.23 1.25 3.20 -0.37 -2.49 116.97 117.43 2dmk h TYR 65 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2dmk h TYR 65 Cb 0.82 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2dmk h TYR 65 CO 0.22 0.00 0.10 -0.91 -1.64 0.00 0.00 178.16 175.93 2dmk h ASN 66 N 0.00 0.31 -1.60 -2.11 2.35 0.20 -3.10 115.58 111.63 2dmk h ASN 66 Ca 0.00 -0.15 -0.69 0.00 -0.55 0.00 0.00 56.30 54.91 2dmk h ASN 66 Cb 0.09 -0.08 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 2dmk h ASN 66 CO 0.00 0.38 1.15 -1.20 -1.65 0.00 0.00 177.43 176.10 2dmk n SER 67 N -4.81 7.30 -0.19 5.81 7.64 -0.94 -4.71 113.62 123.71 2dmk n SER 67 Ca -0.03 -3.48 0.19 0.00 1.01 0.00 0.00 58.87 56.56 2dmk n SER 67 Cb 0.12 -1.20 0.54 0.00 -1.01 0.00 0.00 64.21 62.65 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 2.17 0.71 -1.74 0.44 2.07 -1.68 -0.95 116.25 117.27 2dmk h VAL 68 Ca 0.54 -0.12 0.50 0.00 0.82 0.00 0.00 66.70 68.44 2dmk h VAL 68 Cb 0.35 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2dmk h VAL 68 CO 1.23 0.06 1.30 -2.24 0.02 0.00 0.00 177.57 177.94 2dmk h ASP 69 N 0.35 0.00 -0.06 0.57 3.04 -1.91 1.60 116.42 120.01 2dmk h ASP 69 Ca 0.42 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 54.00 2dmk h ASP 69 Cb 1.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2dmk h ASP 69 CO -0.13 0.00 -0.72 0.28 -2.04 0.00 0.00 179.24 176.63 2dmk h SER 70 N 0.00 0.82 -1.82 4.15 0.02 -1.56 -3.46 113.55 111.69 2dmk h SER 70 Ca 0.83 -0.51 -0.51 0.00 -0.84 0.00 0.00 61.79 60.75 2dmk h SER 70 Cb 3.41 -0.24 0.20 0.00 0.14 0.00 0.00 62.40 65.91 2dmk h SER 70 CO -0.01 1.29 -1.51 0.79 -1.14 0.00 0.00 176.83 176.26 2dmk n TRP 71 N -3.92 -4.14 -3.48 3.45 7.02 0.55 -4.89 117.44 112.02 2dmk n TRP 71 Ca -0.06 0.10 -0.38 0.00 -1.02 0.00 0.00 57.50 56.14 2dmk n TRP 71 Cb 0.71 -1.37 -0.09 0.00 -2.42 0.00 0.00 31.31 28.14 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -1.55 4.08 0.00 -0.99 -1.94 -0.54 -4.96 119.30 113.40 2dmk s MET 72 Ca 0.41 -0.02 0.06 0.00 -1.71 0.00 0.00 55.69 54.42 2dmk s MET 72 Cb -0.25 -3.58 -0.03 0.00 2.01 0.00 0.00 34.83 32.98 2dmk s MET 72 CO 0.71 -0.10 -0.16 0.42 -0.01 0.00 0.00 175.02 175.88 2dmk s ILE 73 N 1.51 2.91 -0.34 2.53 1.09 -1.26 -1.80 121.20 125.84 2dmk s ILE 73 Ca 0.14 -0.99 -0.01 0.00 -1.10 0.00 0.00 60.65 58.68 2dmk s ILE 73 Cb -0.15 -2.19 0.11 0.00 -1.06 0.00 0.00 42.46 39.18 2dmk s ILE 73 CO 0.08 0.44 0.15 -0.69 -0.10 0.00 0.00 174.94 174.82 2dmk s VAL 74 N -0.85 0.61 0.00 2.92 1.01 -1.05 -4.99 120.40 118.05 2dmk s VAL 74 Ca 0.14 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2dmk s VAL 74 Cb -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2dmk s VAL 74 CO 0.04 -0.79 0.00 -0.81 0.00 0.00 0.00 175.10 173.54 2dmk n PRO 75 N 4.55 0.25 -3.90 2.72 -0.04 -1.26 -3.39 135.00 133.93 2dmk n PRO 75 Ca 0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.21 2dmk n PRO 75 Cb 0.40 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.85 2dmk n PRO 75 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dmk n ASN 76 N -1.11 -1.21 -4.11 3.54 0.23 -1.26 -4.94 115.26 106.40 2dmk n ASN 76 Ca 0.00 -1.01 -0.36 0.00 -0.53 0.00 0.00 54.58 52.68 2dmk n ASN 76 Cb 0.00 -3.10 -0.12 0.00 -2.08 0.00 0.00 39.78 34.48 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2dmk s ILE 77 N -3.86 3.25 -0.57 1.53 1.01 -1.22 -4.95 121.20 116.39 2dmk s ILE 77 Ca 0.09 -2.19 0.01 0.00 0.00 0.00 0.00 60.65 58.56 2dmk s ILE 77 Cb -0.03 -3.23 0.44 0.00 0.01 0.00 0.00 42.46 39.65 2dmk s ILE 77 CO 0.88 -0.71 1.73 0.29 0.00 0.00 0.00 174.94 177.14 2dmk n LYS 78 N 4.43 3.01 -4.25 2.79 4.76 -1.26 -2.04 118.16 125.60 2dmk n LYS 78 Ca -0.01 -3.65 -0.14 0.00 -2.87 0.00 0.00 58.31 51.64 2dmk n LYS 78 Cb 0.41 -2.28 -0.10 0.00 -1.84 0.00 0.00 35.03 31.22 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 -3.78 1.34 -0.03 1.97 -2.07 -1.26 -5.04 119.66 110.80 2dmk s GLN 79 Ca 0.58 -1.73 0.21 0.00 -1.82 0.00 0.00 55.36 52.61 2dmk s GLN 79 Cb 0.47 0.12 0.66 0.00 -1.09 0.00 0.00 33.01 33.16 2dmk s GLN 79 CO -0.06 -0.40 1.55 0.09 -1.32 0.00 0.00 175.29 175.15 2dmk n ASN 80 N -0.51 4.08 -3.58 12.60 4.13 -1.26 -4.87 115.26 125.84 2dmk n ASN 80 Ca 0.02 -2.11 -0.02 0.00 1.68 0.00 0.00 54.58 54.15 2dmk n ASN 80 Cb 0.66 -0.51 -0.06 0.00 -1.54 0.00 0.00 39.78 38.33 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 -1.24 -0.78 -0.22 3.10 -3.43 -1.26 -2.10 115.29 109.37 2dmk s HIS 81 Ca 0.49 1.46 0.02 0.00 -0.80 0.00 0.00 55.06 56.23 2dmk s HIS 81 Cb 0.27 0.47 0.04 0.00 -1.43 0.00 0.00 32.58 31.92 2dmk s HIS 81 CO 0.31 -0.39 -0.16 -0.47 -2.00 0.00 0.00 174.74 172.04 2dmk s TYR 82 N 1.86 3.00 -0.38 0.38 6.14 -1.19 -4.97 117.35 122.18 2dmk s TYR 82 Ca -0.07 -1.92 -0.28 0.00 0.64 0.00 0.00 57.07 55.44 2dmk s TYR 82 Cb -0.05 -1.93 0.02 0.00 0.42 0.00 0.00 41.96 40.41 2dmk s TYR 82 CO -0.17 -0.83 1.03 0.99 0.64 0.00 0.00 175.55 177.21 2dmk s THR 83 N 1.21 4.45 -0.31 4.34 2.01 -1.26 -3.71 115.64 122.38 2dmk s THR 83 Ca -0.01 1.37 -0.21 0.00 0.31 0.00 0.00 61.69 63.15 2dmk s THR 83 Cb -0.16 -4.44 -0.01 0.00 0.01 0.00 0.00 72.50 67.90 2dmk s THR 83 CO -0.09 -0.66 0.68 -0.69 -0.69 0.00 0.00 174.62 173.17 2dmk s VAL 84 N 3.81 4.89 -0.14 3.82 1.01 -0.45 -4.93 120.40 128.41 2dmk s VAL 84 Ca 0.43 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 2dmk s VAL 84 Cb -0.11 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2dmk s VAL 84 CO 0.21 -0.18 0.06 -1.00 0.00 0.00 0.00 175.10 174.19 2dmk s HIS 85 N 2.72 3.30 0.00 5.22 3.76 -1.26 -2.53 115.29 126.50 2dmk s HIS 85 Ca 0.27 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 2dmk s HIS 85 Cb -0.15 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2dmk s HIS 85 CO 0.12 0.40 0.00 0.41 -0.85 0.00 0.00 174.74 174.82 2dmk n GLY 86 N 2.71 1.46 2.72 -2.22 0.00 -0.84 -5.03 105.19 103.98 2dmk n GLY 86 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.56 0.99 4.77 -1.00 -5.02 117.00 112.18 2dmk n LEU 87 Ca 0.00 -1.71 -0.31 0.00 -0.03 0.00 0.00 56.01 53.96 2dmk n LEU 87 Cb 0.00 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 2dmk n LEU 87 CO 0.00 -0.67 -0.42 -1.10 -1.33 0.00 0.00 177.39 173.87 2dmk s GLN 88 N -3.88 2.26 0.57 3.23 -0.21 -1.26 -4.49 119.66 115.88 2dmk s GLN 88 Ca 0.43 -0.92 -0.19 0.00 0.02 0.00 0.00 55.36 54.70 2dmk s GLN 88 Cb -0.03 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 2dmk s GLN 88 CO 0.27 0.54 1.16 -1.54 -2.12 0.00 0.00 175.29 173.60 2dmk s SER 89 N -1.82 5.47 -0.97 5.90 1.04 -1.05 -3.79 113.70 118.48 2dmk s SER 89 Ca 0.19 2.24 -0.21 0.00 0.48 0.00 0.00 55.95 58.66 2dmk s SER 89 Cb -0.11 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.45 2dmk s SER 89 CO 0.10 -1.40 0.58 0.61 0.98 0.00 0.00 173.24 174.12 2dmk n GLY 90 N 0.24 -0.90 3.11 7.32 0.00 -1.21 -4.95 105.19 108.80 2dmk n GLY 90 Ca 0.12 0.39 -0.12 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 -3.40 0.02 0.32 2.61 2.01 -1.25 -4.96 115.64 111.00 2dmk s THR 91 Ca 0.29 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 2dmk s THR 91 Cb -0.16 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 71.89 2dmk s THR 91 CO 0.85 -0.11 1.16 -0.13 -0.69 0.00 0.00 174.62 175.70 2dmk s ARG 92 N -0.37 4.42 -0.16 4.92 0.52 -1.26 -3.31 118.95 123.70 2dmk s ARG 92 Ca -0.05 1.90 -0.04 0.00 -0.52 0.00 0.00 55.73 57.02 2dmk s ARG 92 Cb -0.03 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.50 2dmk s ARG 92 CO 0.01 -0.02 0.22 0.71 0.02 0.00 0.00 175.30 176.24 2dmk s TYR 93 N -1.24 -0.30 0.09 -0.53 2.02 0.30 -2.77 117.35 114.93 2dmk s TYR 93 Ca 0.49 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.48 2dmk s TYR 93 Cb -0.33 -0.27 -0.07 0.00 -0.40 0.00 0.00 41.96 40.89 2dmk s TYR 93 CO 0.43 -0.49 0.55 0.42 -1.57 0.00 0.00 175.55 174.89 2dmk s ILE 94 N 2.34 4.79 0.01 2.71 1.01 -0.96 -1.94 121.20 129.17 2dmk s ILE 94 Ca 0.05 1.07 0.04 0.00 0.00 0.00 0.00 60.65 61.82 2dmk s ILE 94 Cb -0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2dmk s ILE 94 CO -0.10 0.46 -0.13 -0.36 0.00 0.00 0.00 174.94 174.81 2dmk s PHE 95 N -1.22 1.12 -0.22 3.97 0.40 -0.99 -2.18 117.98 118.85 2dmk s PHE 95 Ca 0.31 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 2dmk s PHE 95 Cb -0.18 -0.69 0.12 0.00 0.51 0.00 0.00 43.02 42.77 2dmk s PHE 95 CO 0.19 0.00 0.32 0.42 0.70 0.00 0.00 175.22 176.85 2dmk s ILE 96 N -0.57 -0.50 0.15 0.64 1.01 0.60 -1.48 121.20 121.05 2dmk s ILE 96 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 2dmk s ILE 96 Cb -0.06 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.59 2dmk s ILE 96 CO 0.00 -0.13 0.87 -0.69 0.00 0.00 0.00 174.94 174.99 2dmk s VAL 97 N 2.47 4.40 -0.27 2.92 1.01 -1.26 -2.55 120.40 127.12 2dmk s VAL 97 Ca 0.10 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.00 2dmk s VAL 97 Cb -0.15 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.06 2dmk s VAL 97 CO -0.14 0.43 -0.09 -0.75 0.00 0.00 0.00 175.10 174.55 2dmk s LYS 98 N -0.62 2.12 -0.17 2.72 2.20 0.66 -1.75 119.74 124.91 2dmk s LYS 98 Ca 0.41 -1.42 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 2dmk s LYS 98 Cb -0.23 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2dmk s LYS 98 CO 0.28 -0.62 1.18 0.00 -0.36 0.00 0.00 175.35 175.82 2dmk s ALA 99 N 1.07 3.65 -0.04 3.13 0.00 -0.99 -1.67 121.76 126.91 2dmk s ALA 99 Ca -0.06 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2dmk s ALA 99 Cb -0.20 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2dmk s ALA 99 CO -0.05 -1.07 -0.07 0.42 0.00 0.00 0.00 175.76 174.98 2dmk s ILE 100 N 3.23 3.66 0.30 0.00 1.01 -1.03 -2.09 121.20 126.27 2dmk s ILE 100 Ca 0.51 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2dmk s ILE 100 Cb -0.20 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.76 2dmk s ILE 100 CO 0.13 0.53 0.45 -0.46 0.00 0.00 0.00 174.94 175.59 2dmk n ASN 101 N 2.00 -1.28 0.02 3.58 6.94 -0.26 -2.26 115.26 124.00 2dmk n ASN 101 Ca -0.17 -2.51 0.15 0.00 -0.02 0.00 0.00 54.58 52.03 2dmk n ASN 101 Cb 0.53 2.31 0.62 0.00 -2.36 0.00 0.00 39.78 40.88 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 0.12 0.00 -3.83 5.75 -1.96 -3.18 115.11 112.02 2dmk h GLN 102 Ca -0.23 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2dmk h GLN 102 Cb 0.99 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.51 2dmk h GLN 102 CO 0.31 0.08 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 2dmk n ALA 103 N -2.58 -0.10 -2.27 3.38 0.00 -1.26 -5.08 120.51 112.60 2dmk n ALA 103 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2dmk n ALA 103 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2dmk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmk n GLY 104 N 1.34 3.52 3.17 0.00 0.00 -1.16 -4.89 105.19 107.16 2dmk n GLY 104 Ca 0.00 -0.21 -0.11 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 2.00 0.76 -0.13 1.61 1.04 -1.26 -1.10 113.70 116.61 2dmk s SER 105 Ca 0.00 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.25 2dmk s SER 105 Cb 0.00 0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.38 2dmk s SER 105 CO 0.00 -0.62 0.25 -0.60 0.98 0.00 0.00 173.24 173.26 2dmk s ARG 106 N -3.95 0.14 -0.18 4.02 6.06 -0.89 -4.59 118.95 119.56 2dmk s ARG 106 Ca 0.19 0.69 -0.22 0.00 -2.50 0.00 0.00 55.73 53.90 2dmk s ARG 106 Cb 0.07 -0.14 -0.02 0.00 0.06 0.00 0.00 34.95 34.91 2dmk s ARG 106 CO -0.01 -0.32 0.67 1.21 -2.50 0.00 0.00 175.30 174.36 2dmk s ASN 107 N 2.41 6.75 0.92 -2.12 3.04 -1.26 -2.35 114.94 122.33 2dmk s ASN 107 Ca 0.02 0.92 -0.13 0.00 0.04 0.00 0.00 52.86 53.70 2dmk s ASN 107 Cb -0.12 -2.37 0.15 0.00 -1.54 0.00 0.00 41.25 37.36 2dmk s ASN 107 CO -0.09 -0.29 1.18 -0.55 -3.04 0.00 0.00 177.10 174.31 2dmk s SER 108 N 1.16 3.47 0.57 -4.21 0.15 -0.71 -5.02 113.70 109.11 2dmk s SER 108 Ca 0.31 0.77 -0.19 0.00 0.70 0.00 0.00 55.95 57.55 2dmk s SER 108 Cb -0.16 -1.21 -0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2dmk s SER 108 CO 0.11 -2.56 1.14 -1.61 1.20 0.00 0.00 173.24 171.52 2dmk s GLU 109 N -5.47 3.20 -0.28 5.44 0.41 -1.26 -4.75 118.70 116.00 2dmk s GLU 109 Ca 0.66 1.61 -0.29 0.00 -0.41 0.00 0.00 54.97 56.54 2dmk s GLU 109 Cb -0.12 -1.98 -0.02 0.00 -1.78 0.00 0.00 34.13 30.23 2dmk s GLU 109 CO 0.52 -0.97 1.65 -1.25 -0.49 0.00 0.00 175.26 174.73 2dmk s PRO 110 N -3.42 3.61 -0.52 0.39 0.04 -1.26 -4.66 135.00 129.18 2dmk s PRO 110 Ca 0.73 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 2dmk s PRO 110 Cb -0.24 -4.09 0.07 0.00 0.04 0.00 0.00 34.50 30.28 2dmk s PRO 110 CO 0.30 -1.52 0.59 0.99 0.04 0.00 0.00 177.00 177.40 2dmk s THR 111 N 5.80 4.96 0.06 1.26 2.01 -0.55 -4.91 115.64 124.26 2dmk s THR 111 Ca 0.73 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 2dmk s THR 111 Cb -0.23 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 2dmk s THR 111 CO 0.31 -0.82 1.26 -0.13 -0.69 0.00 0.00 174.62 174.54 2dmk s ARG 112 N 2.38 4.39 0.02 4.92 0.52 -1.26 -2.34 118.95 127.58 2dmk s ARG 112 Ca 0.11 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.18 2dmk s ARG 112 Cb -0.22 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 2dmk s ARG 112 CO 0.09 -0.34 -0.06 -0.51 0.02 0.00 0.00 175.30 174.50 2dmk s LEU 113 N 1.30 2.16 -0.05 2.53 1.43 -0.82 -5.00 118.68 120.23 2dmk s LEU 113 Ca 0.60 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2dmk s LEU 113 Cb -0.31 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2dmk s LEU 113 CO 0.28 -0.11 -0.23 -0.54 0.23 0.00 0.00 176.35 175.99 2dmk s LYS 114 N -1.00 2.27 0.84 1.70 1.02 -1.26 -0.54 119.74 122.76 2dmk s LYS 114 Ca -0.06 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 2dmk s LYS 114 Cb -0.07 -1.95 0.10 0.00 -0.52 0.00 0.00 37.83 35.39 2dmk s LYS 114 CO 0.00 0.35 1.19 0.95 -0.92 0.00 0.00 175.35 176.92 2dmk s THR 115 N -0.13 2.00 0.07 2.17 -4.23 -1.21 -4.80 115.64 109.51 2dmk s THR 115 Ca -0.03 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2dmk s THR 115 Cb -0.13 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2dmk s THR 115 CO 0.03 0.00 1.07 0.20 -0.54 0.00 0.00 174.62 175.38 2dmk s ASN 116 N -4.56 7.28 0.00 3.99 0.01 -1.25 -4.25 114.94 116.17 2dmk s ASN 116 Ca 0.63 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 2dmk s ASN 116 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 2dmk s ASN 116 CO 0.50 -0.29 0.64 -1.20 -1.51 0.00 0.00 177.10 175.24 2dmk n SER 117 N 3.45 0.00 -3.99 -1.22 7.64 -1.26 -3.34 113.62 114.91 2dmk n SER 117 Ca 0.06 0.64 -0.16 0.00 1.01 0.00 0.00 58.87 60.41 2dmk n SER 117 Cb 0.48 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.70 0.52 0.00 1.43 0.74 -1.26 -3.53 119.66 114.85 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 -0.48 0.79 0.00 1.10 0.00 0.00 33.01 34.42 2dmk s GLN 118 CO 0.00 0.13 1.40 -0.35 -0.55 0.00 0.00 175.29 175.92 2dmk n PRO 119 N 2.80 0.28 -5.11 1.67 -0.04 -1.26 -4.64 135.00 128.69 2dmk n PRO 119 Ca -0.14 0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2dmk n PRO 119 Cb 0.58 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.44 2.57 0.23 0.54 2.19 -1.26 -5.07 117.98 114.73 2dmk s PHE 120 Ca 0.16 -0.68 -0.07 0.00 0.33 0.00 0.00 56.93 56.68 2dmk s PHE 120 Cb 0.10 -1.67 -0.06 0.00 -1.31 0.00 0.00 43.02 40.08 2dmk s PHE 120 CO 0.22 -0.19 0.51 -1.59 1.83 0.00 0.00 175.22 176.00 2dmk s LYS 121 N -0.07 3.71 -0.34 10.12 0.00 -1.26 -5.01 119.74 126.89 2dmk s LYS 121 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 55.97 56.09 2dmk s LYS 121 Cb -0.14 -2.69 0.47 0.00 0.00 0.00 0.00 37.83 35.46 2dmk s LYS 121 CO 0.04 0.32 1.39 0.43 0.00 0.00 0.00 175.35 177.53 2dmk n SER 122 N -0.35 4.29 0.00 0.03 7.64 -1.26 -5.02 113.62 118.95 2dmk n SER 122 Ca -0.01 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2dmk n SER 122 Cb 0.53 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2dmk n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmk n GLY 123 N -0.90 3.69 0.17 0.23 0.00 -1.26 -4.93 105.19 102.19 2dmk n GLY 123 Ca 0.41 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.98 2dmk n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmk h PRO 124 N 0.00 0.00 -2.04 1.61 0.13 -2.05 -3.46 132.00 126.19 2dmk h PRO 124 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 2dmk h PRO 124 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2dmk h PRO 124 CO 0.00 0.44 0.55 0.45 -0.23 0.00 0.00 178.00 179.21 2dmk s SER 125 N -6.78 -0.34 0.11 1.44 0.15 -1.26 -5.15 113.70 101.88 2dmk s SER 125 Ca -0.02 0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.41 2dmk s SER 125 Cb 0.13 0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 64.72 2dmk s SER 125 CO 0.72 -0.52 1.11 -0.94 1.20 0.00 0.00 173.24 174.82 2dmk s SER 126 N -2.18 7.23 0.00 5.45 1.04 -1.26 -5.19 113.70 118.78 2dmk s SER 126 Ca 0.04 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2dmk s SER 126 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dmk s SER 126 CO -0.06 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.46