#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmk n SER 2 N 0.00 -3.99 -3.64 1.61 2.88 -1.26 -5.00 113.62 104.22 2dmk n SER 2 Ca 0.00 0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 57.95 2dmk n SER 2 Cb 0.00 -0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 62.54 2dmk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmk s SER 3 N -1.04 -0.31 0.00 -3.46 0.01 -1.26 -5.10 113.70 102.54 2dmk s SER 3 Ca 0.54 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2dmk s SER 3 Cb -0.40 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2dmk s SER 3 CO 0.69 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dmk n GLY 4 N 0.32 -0.61 0.09 3.44 0.00 -1.26 -5.03 105.19 102.14 2dmk n GLY 4 Ca -0.18 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2dmk n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmk h SER 5 N 0.00 -0.08 -0.25 1.61 4.64 -1.99 -3.33 113.55 114.15 2dmk h SER 5 Ca 0.00 -0.54 -0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2dmk h SER 5 Cb 0.00 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2dmk h SER 5 CO 0.00 0.57 0.14 0.77 -0.87 0.00 0.00 176.83 177.44 2dmk h SER 6 N -0.82 0.31 0.00 4.97 4.64 -1.98 -3.48 113.55 117.19 2dmk h SER 6 Ca -0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2dmk h SER 6 Cb 0.61 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2dmk h SER 6 CO 0.02 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 2dmk n GLY 7 N -0.96 1.69 0.17 -0.77 0.00 -1.25 -4.95 105.19 99.12 2dmk n GLY 7 Ca -0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2dmk n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dmk n GLU 8 N 0.00 0.20 0.00 1.61 0.00 -1.26 -4.94 120.64 116.25 2dmk n GLU 8 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2dmk n GLU 8 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.34 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dmk n GLY 9 N 2.98 0.40 3.00 -1.84 0.00 -1.26 -4.98 105.19 103.49 2dmk n GLY 9 Ca -0.15 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 2dmk n GLY 9 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dmk s LEU 10 N 0.00 1.94 -0.08 0.99 0.05 -1.26 -4.97 118.68 115.34 2dmk s LEU 10 Ca 0.00 -0.25 0.02 0.00 0.05 0.00 0.00 54.13 53.95 2dmk s LEU 10 Cb 0.00 0.27 -0.06 0.00 -2.05 0.00 0.00 46.19 44.35 2dmk s LEU 10 CO 0.00 -0.24 -0.06 -0.90 -0.55 0.00 0.00 176.35 174.60 2dmk n ASP 11 N 1.99 3.31 -4.33 1.48 5.75 -1.26 -5.04 116.55 118.45 2dmk n ASP 11 Ca -0.20 -0.04 -0.38 0.00 -0.01 0.00 0.00 54.79 54.16 2dmk n ASP 11 Cb 0.56 -0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.68 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dmk n TYR 12 N -2.67 -2.10 0.00 2.11 0.18 -1.26 -4.93 117.16 108.49 2dmk n TYR 12 Ca -0.15 0.41 0.00 0.00 1.88 0.00 0.00 57.90 60.04 2dmk n TYR 12 Cb 0.68 -1.78 0.00 0.00 -0.38 0.00 0.00 39.34 37.85 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 1.63 0.21 -0.09 -3.48 -0.00 -1.26 -4.81 117.00 109.20 2dmk n LEU 13 Ca 0.09 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.14 2dmk n LEU 13 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.99 2dmk n LEU 13 CO 0.53 0.03 0.21 0.35 -0.00 0.00 0.00 177.39 178.51 2dmk n THR 14 N -1.48 -0.11 -4.73 1.96 -2.24 -1.26 -3.97 114.28 102.46 2dmk n THR 14 Ca 0.00 0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 62.04 2dmk n THR 14 Cb 0.30 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 2dmk n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmk s ALA 15 N -4.87 2.07 0.44 6.98 0.00 -1.26 -3.05 121.76 122.07 2dmk s ALA 15 Ca -0.03 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 2dmk s ALA 15 Cb 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.71 2dmk s ALA 15 CO 0.20 0.48 1.17 -1.25 0.00 0.00 0.00 175.76 176.36 2dmk s PRO 16 N -1.34 3.85 0.18 0.00 0.04 -1.25 -4.93 135.00 131.55 2dmk s PRO 16 Ca 0.10 1.81 -0.32 0.00 0.04 0.00 0.00 61.00 62.64 2dmk s PRO 16 Cb -0.10 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 2dmk s PRO 16 CO 0.02 -0.48 1.77 0.54 0.04 0.00 0.00 177.00 178.89 2dmk s ASN 17 N -1.26 6.38 -0.07 6.66 4.22 -1.26 -4.52 114.94 125.10 2dmk s ASN 17 Ca 0.61 2.85 -0.30 0.00 -2.14 0.00 0.00 52.86 53.88 2dmk s ASN 17 Cb -0.30 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.60 2dmk s ASN 17 CO 0.36 -0.99 1.50 -2.16 -2.04 0.00 0.00 177.10 173.78 2dmk s PRO 18 N 1.69 4.22 0.81 3.55 0.04 -1.26 -4.83 135.00 139.22 2dmk s PRO 18 Ca 0.77 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 2dmk s PRO 18 Cb -0.49 -3.83 0.08 0.00 0.04 0.00 0.00 34.50 30.30 2dmk s PRO 18 CO 0.34 -0.75 1.09 -1.25 0.04 0.00 0.00 177.00 176.47 2dmk s PRO 19 N 3.50 1.92 -0.27 0.56 0.04 -1.26 -4.95 135.00 134.54 2dmk s PRO 19 Ca 0.67 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2dmk s PRO 19 Cb -0.30 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dmk s PRO 19 CO 0.25 -1.84 -0.07 -1.12 0.04 0.00 0.00 177.00 174.25 2dmk s SER 20 N -3.40 4.41 -0.27 6.66 0.01 -0.29 -4.77 113.70 116.05 2dmk s SER 20 Ca 0.62 -1.49 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2dmk s SER 20 Cb -0.17 -1.50 -0.00 0.00 0.21 0.00 0.00 66.02 64.55 2dmk s SER 20 CO 0.56 -0.23 1.34 -0.63 0.41 0.00 0.00 173.24 174.69 2dmk s ILE 21 N 1.12 4.09 -0.15 1.44 1.01 -1.26 -0.30 121.20 127.15 2dmk s ILE 21 Ca -0.05 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 2dmk s ILE 21 Cb -0.20 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2dmk s ILE 21 CO -0.06 -0.41 1.05 -0.13 0.00 0.00 0.00 174.94 175.39 2dmk s ARG 22 N 4.16 4.34 0.14 2.79 1.81 0.14 -4.92 118.95 127.41 2dmk s ARG 22 Ca 0.58 1.42 0.15 0.00 -1.72 0.00 0.00 55.73 56.16 2dmk s ARG 22 Cb -0.18 -3.60 -0.08 0.00 -0.45 0.00 0.00 34.95 30.64 2dmk s ARG 22 CO 0.23 -0.48 1.09 0.93 -0.68 0.00 0.00 175.30 176.39 2dmk h GLU 23 N 7.34 0.00 0.00 3.54 5.08 -1.92 -2.52 114.58 126.10 2dmk h GLU 23 Ca -0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2dmk h GLU 23 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2dmk h GLU 23 CO 0.91 0.45 -0.06 1.05 -1.00 0.00 0.00 179.01 180.36 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 9.09 -1.96 -3.27 114.58 120.77 2dmk h GLU 24 Ca -0.10 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.98 2dmk h GLU 24 Cb 1.55 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.59 2dmk h GLU 24 CO 0.06 0.06 -2.15 1.28 0.05 0.00 0.00 179.01 178.32 2dmk n LEU 25 N -3.12 0.29 -4.75 3.06 4.77 -1.24 -4.94 117.00 111.07 2dmk n LEU 25 Ca 0.03 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 2dmk n LEU 25 Cb 0.53 0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 2dmk n LEU 25 CO 0.34 0.45 0.97 0.00 -1.33 0.00 0.00 177.39 177.82 2dmk s THR 27 N -0.46 3.39 -0.03 0.00 -4.23 0.28 -4.93 115.64 109.66 2dmk s THR 27 Ca 0.53 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 2dmk s THR 27 Cb -0.38 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 2dmk s THR 27 CO 0.44 -0.30 -0.14 0.00 -0.54 0.00 0.00 174.62 174.08 2dmk s ALA 28 N -2.34 1.29 0.20 3.99 0.00 -1.26 -2.00 121.76 121.63 2dmk s ALA 28 Ca 0.34 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2dmk s ALA 28 Cb -0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2dmk s ALA 28 CO 0.21 0.24 -0.02 0.45 0.00 0.00 0.00 175.76 176.64 2dmk s SER 29 N 0.01 1.72 0.10 0.00 0.15 0.42 -4.42 113.70 111.68 2dmk s SER 29 Ca -0.02 -1.17 -0.30 0.00 0.70 0.00 0.00 55.95 55.17 2dmk s SER 29 Cb -0.10 0.02 -0.11 0.00 -1.71 0.00 0.00 66.02 64.12 2dmk s SER 29 CO 0.01 -0.48 1.49 1.12 1.20 0.00 0.00 173.24 176.58 2dmk h HIS 30 N 2.57 -1.44 -0.01 3.44 2.07 -1.88 -3.13 115.15 116.78 2dmk h HIS 30 Ca -0.38 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.19 2dmk h HIS 30 Cb 1.21 0.64 -0.00 0.00 2.57 0.00 0.00 27.41 31.83 2dmk h HIS 30 CO 0.59 -0.49 -0.40 -3.47 -3.07 0.00 0.00 177.93 171.09 2dmk n ASP 31 N -5.09 1.85 -3.64 3.10 2.03 -1.26 -1.81 116.55 111.74 2dmk n ASP 31 Ca -0.05 -3.76 -0.14 0.00 0.52 0.00 0.00 54.79 51.35 2dmk n ASP 31 Cb 0.34 -0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dmk s THR 32 N -3.18 0.04 -0.22 5.18 2.01 -1.18 0.46 115.64 118.75 2dmk s THR 32 Ca 0.37 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 2dmk s THR 32 Cb 0.36 -0.89 0.08 0.00 0.01 0.00 0.00 72.50 72.05 2dmk s THR 32 CO -0.05 -0.18 0.52 -0.63 -0.69 0.00 0.00 174.62 173.59 2dmk s ILE 33 N -1.94 -0.19 -0.26 1.82 1.01 -0.84 0.16 121.20 120.96 2dmk s ILE 33 Ca -0.08 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 2dmk s ILE 33 Cb -0.02 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2dmk s ILE 33 CO 0.02 0.03 0.08 -0.89 0.00 0.00 0.00 174.94 174.18 2dmk s THR 34 N 1.78 4.34 -0.24 2.92 2.01 -0.85 -1.50 115.64 124.10 2dmk s THR 34 Ca -0.08 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2dmk s THR 34 Cb -0.08 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2dmk s THR 34 CO -0.16 0.29 0.05 -0.69 -0.69 0.00 0.00 174.62 173.43 2dmk s VAL 35 N 1.61 4.18 -0.24 3.82 1.01 -1.25 -0.56 120.40 128.98 2dmk s VAL 35 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2dmk s VAL 35 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2dmk s VAL 35 CO 0.04 0.35 0.16 -1.00 0.00 0.00 0.00 175.10 174.65 2dmk s HIS 36 N 1.57 3.29 -0.09 5.22 3.76 -1.26 -3.49 115.29 124.28 2dmk s HIS 36 Ca 0.06 0.18 0.04 0.00 -0.15 0.00 0.00 55.06 55.19 2dmk s HIS 36 Cb -0.15 -2.28 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 2dmk s HIS 36 CO 0.03 0.02 -0.22 1.67 -0.85 0.00 0.00 174.74 175.38 2dmk s TRP 37 N 1.15 2.56 -0.09 1.40 -2.14 -0.97 0.23 118.94 121.08 2dmk s TRP 37 Ca 0.07 -0.85 -0.05 0.00 2.66 0.00 0.00 56.10 57.93 2dmk s TRP 37 Cb -0.14 -1.69 -0.04 0.00 -3.10 0.00 0.00 33.47 28.50 2dmk s TRP 37 CO 0.05 -0.30 0.13 -1.50 -2.66 0.00 0.00 176.95 172.68 2dmk s ILE 38 N 0.13 5.36 0.01 0.66 1.10 0.59 -4.83 121.20 124.22 2dmk s ILE 38 Ca -0.12 0.07 0.02 0.00 -0.51 0.00 0.00 60.65 60.12 2dmk s ILE 38 Cb -0.16 -3.36 -0.01 0.00 0.15 0.00 0.00 42.46 39.08 2dmk s ILE 38 CO 0.06 0.55 -0.06 -0.94 -2.11 0.00 0.00 174.94 172.45 2dmk s SER 39 N -1.22 0.72 0.00 4.50 1.04 -1.26 -1.14 113.70 116.34 2dmk s SER 39 Ca 0.17 -0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.66 2dmk s SER 39 Cb -0.12 -0.05 0.66 0.00 0.10 0.00 0.00 66.02 66.61 2dmk s SER 39 CO 0.07 0.01 1.50 -0.67 0.98 0.00 0.00 173.24 175.14 2dmk n ASP 40 N 2.61 1.24 -3.50 7.02 2.03 -1.26 -4.87 116.55 119.82 2dmk n ASP 40 Ca -0.15 -1.05 0.01 0.00 0.52 0.00 0.00 54.79 54.12 2dmk n ASP 40 Cb 0.57 0.17 -0.05 0.00 -0.72 0.00 0.00 41.12 41.09 2dmk n ASP 40 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dmk s ASP 41 N -2.45 -0.31 0.00 1.67 -1.08 -1.26 -5.04 116.67 108.20 2dmk s ASP 41 Ca 0.25 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.74 2dmk s ASP 41 Cb 0.19 1.23 0.00 0.00 -1.46 0.00 0.00 42.92 42.89 2dmk s ASP 41 CO 0.51 -0.07 0.33 -1.84 0.52 0.00 0.00 175.17 174.62 2dmk n GLU 42 N 3.99 0.13 0.05 4.34 0.28 -1.26 -4.80 120.64 123.37 2dmk n GLU 42 Ca -0.14 -0.38 0.11 0.00 -0.16 0.00 0.00 57.16 56.59 2dmk n GLU 42 Cb 0.56 -0.65 0.57 0.00 1.43 0.00 0.00 31.44 33.34 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 0.23 0.06 -1.84 -1.00 -2.02 -1.77 116.94 110.60 2dmk h PHE 43 Ca 0.00 0.01 -0.29 0.00 2.81 0.00 0.00 57.97 60.50 2dmk h PHE 43 Cb 0.53 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 2dmk h PHE 43 CO 0.00 0.12 -1.52 1.03 -1.61 0.00 0.00 178.31 176.33 2dmk h SER 44 N 0.22 0.21 -2.50 2.17 0.87 -1.98 -3.45 113.55 109.11 2dmk h SER 44 Ca 0.16 -0.32 -0.57 0.00 -1.23 0.00 0.00 61.79 59.83 2dmk h SER 44 Cb 0.37 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2dmk h SER 44 CO -0.03 1.28 1.26 -0.63 -0.53 0.00 0.00 176.83 178.18 2dmk s ILE 45 N -2.62 3.38 0.36 2.23 1.01 -0.67 -4.05 121.20 120.84 2dmk s ILE 45 Ca -0.07 0.42 0.14 0.00 0.00 0.00 0.00 60.65 61.14 2dmk s ILE 45 Cb 0.08 -3.42 0.11 0.00 0.01 0.00 0.00 42.46 39.24 2dmk s ILE 45 CO 0.83 -0.20 1.84 -1.28 0.00 0.00 0.00 174.94 176.13 2dmk h SER 46 N 12.23 0.00 -4.15 3.58 0.87 -1.32 -3.47 113.55 121.29 2dmk h SER 46 Ca -0.38 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.38 2dmk h SER 46 Cb 1.19 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.95 2dmk h SER 46 CO 0.99 0.35 0.72 -0.94 -0.53 0.00 0.00 176.83 177.42 2dmk s SER 47 N -6.84 -0.21 0.15 6.23 1.04 -1.19 -5.06 113.70 107.83 2dmk s SER 47 Ca -0.03 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2dmk s SER 47 Cb 0.14 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2dmk s SER 47 CO 0.71 -0.30 0.27 -0.31 0.98 0.00 0.00 173.24 174.59 2dmk s TYR 48 N -2.15 3.44 -0.06 5.02 2.02 -1.00 -2.49 117.35 122.13 2dmk s TYR 48 Ca 0.07 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.88 2dmk s TYR 48 Cb -0.01 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2dmk s TYR 48 CO -0.05 0.51 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.33 2dmk s GLU 49 N -3.25 1.55 0.06 -0.62 2.12 0.21 -3.69 118.70 115.09 2dmk s GLU 49 Ca 0.34 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.29 2dmk s GLU 49 Cb -0.11 -1.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 2dmk s GLU 49 CO 0.28 0.05 0.14 -1.17 -0.54 0.00 0.00 175.26 174.02 2dmk s LEU 50 N 0.57 4.10 -0.16 2.70 2.96 -1.25 -0.24 118.68 127.36 2dmk s LEU 50 Ca -0.12 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2dmk s LEU 50 Cb -0.15 -2.69 0.07 0.00 0.50 0.00 0.00 46.19 43.93 2dmk s LEU 50 CO 0.03 0.18 0.20 -1.10 -1.32 0.00 0.00 176.35 174.35 2dmk s GLN 51 N -2.36 0.13 0.07 1.98 -0.21 -1.07 -2.94 119.66 115.25 2dmk s GLN 51 Ca 0.31 0.38 0.06 0.00 0.02 0.00 0.00 55.36 56.13 2dmk s GLN 51 Cb -0.13 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 33.07 2dmk s GLN 51 CO 0.24 -0.50 -0.16 1.52 -2.12 0.00 0.00 175.29 174.27 2dmk s TYR 52 N 2.32 1.38 -0.19 0.91 1.13 -0.86 -0.78 117.35 121.27 2dmk s TYR 52 Ca 0.05 -0.42 -0.23 0.00 -1.41 0.00 0.00 57.07 55.06 2dmk s TYR 52 Cb -0.14 -0.78 0.06 0.00 -1.10 0.00 0.00 41.96 40.00 2dmk s TYR 52 CO -0.09 0.09 0.61 -0.08 -2.51 0.00 0.00 175.55 173.56 2dmk s THR 53 N -1.12 0.00 0.03 -3.49 -1.32 -1.09 -1.86 115.64 106.79 2dmk s THR 53 Ca 0.01 -0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 2dmk s THR 53 Cb -0.09 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 69.95 2dmk s THR 53 CO 0.02 -0.02 1.54 -0.63 -2.21 0.00 0.00 174.62 173.33 2dmk s ILE 54 N -0.06 3.38 -0.38 5.08 1.01 -1.26 -2.51 121.20 126.46 2dmk s ILE 54 Ca -0.03 0.78 -0.08 0.00 0.00 0.00 0.00 60.65 61.32 2dmk s ILE 54 Cb -0.04 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 39.00 2dmk s ILE 54 CO 0.03 -0.01 0.18 0.12 0.00 0.00 0.00 174.94 175.26 2dmk s PHE 55 N 2.64 3.31 -0.50 3.97 2.19 -1.06 -4.96 117.98 123.57 2dmk s PHE 55 Ca 0.69 -1.51 0.04 0.00 0.33 0.00 0.00 56.93 56.49 2dmk s PHE 55 Cb -0.35 -2.64 0.17 0.00 -1.31 0.00 0.00 43.02 38.88 2dmk s PHE 55 CO 0.29 -0.79 0.38 0.95 1.83 0.00 0.00 175.22 177.88 2dmk s THR 56 N 1.40 1.19 0.59 0.12 -4.23 -1.26 -4.17 115.64 109.28 2dmk s THR 56 Ca 0.01 -3.13 0.00 0.00 -1.18 0.00 0.00 61.69 57.39 2dmk s THR 56 Cb -0.21 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2dmk s THR 56 CO 0.02 -1.14 0.00 0.61 -0.54 0.00 0.00 174.62 173.57 2dmk n GLY 57 N 2.63 -3.97 3.63 3.99 0.00 -1.26 -5.07 105.19 105.14 2dmk n GLY 57 Ca 0.25 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.42 0.23 0.13 1.61 2.00 -1.26 -5.05 119.66 111.90 2dmk s GLN 58 Ca 0.00 0.15 -0.19 0.00 -2.00 0.00 0.00 55.36 53.32 2dmk s GLN 58 Cb 0.00 0.11 -0.05 0.00 0.80 0.00 0.00 33.01 33.87 2dmk s GLN 58 CO 0.00 -0.05 1.77 0.00 -0.50 0.00 0.00 175.29 176.51 2dmk h ALA 59 N 2.83 0.27 -2.17 1.58 0.00 -2.04 -3.42 119.26 116.31 2dmk h ALA 59 Ca -0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2dmk h ALA 59 Cb 1.18 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.61 2dmk h ALA 59 CO 0.21 -0.28 -0.50 1.21 0.00 0.00 0.00 179.25 179.89 2dmk s ASN 60 N -5.36 0.42 0.18 0.00 3.04 -1.26 -5.04 114.94 106.92 2dmk s ASN 60 Ca -0.13 0.26 -0.11 0.00 0.04 0.00 0.00 52.86 52.92 2dmk s ASN 60 Cb 0.09 0.96 0.23 0.00 -1.54 0.00 0.00 41.25 40.99 2dmk s ASN 60 CO 0.69 -0.29 1.16 0.33 -3.04 0.00 0.00 177.10 175.96 2dmk n PHE 61 N 5.36 0.10 -0.36 0.43 7.35 -1.26 0.48 117.46 129.55 2dmk n PHE 61 Ca -0.05 0.92 -0.03 0.00 -0.76 0.00 0.00 57.45 57.53 2dmk n PHE 61 Cb 0.50 -0.83 0.02 0.00 0.35 0.00 0.00 39.48 39.52 2dmk n PHE 61 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2dmk h ILE 62 N 0.00 0.02 -0.76 -2.13 1.08 -1.96 0.24 117.51 114.00 2dmk h ILE 62 Ca 0.29 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.83 2dmk h ILE 62 Cb 0.48 0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 34.16 2dmk h ILE 62 CO -0.75 0.00 -0.45 -1.20 -0.69 0.00 0.00 178.15 175.06 2dmk n SER 63 N -5.44 -0.81 0.31 1.72 7.64 0.18 0.13 113.62 117.35 2dmk n SER 63 Ca 0.08 1.53 -0.14 0.00 1.01 0.00 0.00 58.87 61.35 2dmk n SER 63 Cb 0.38 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 2dmk n SER 63 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2dmk h LEU 64 N 0.00 -0.69 -1.19 -3.43 5.85 -1.21 -2.84 115.31 111.80 2dmk h LEU 64 Ca 0.12 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2dmk h LEU 64 Cb 0.31 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2dmk h LEU 64 CO -0.72 -0.31 0.66 0.22 -0.34 0.00 0.00 178.44 177.95 2dmk h TYR 65 N -1.14 0.00 -0.14 1.25 3.20 -0.01 0.53 116.97 120.65 2dmk h TYR 65 Ca -0.08 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 2dmk h TYR 65 Cb 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2dmk h TYR 65 CO 0.00 0.00 -0.47 -0.97 -1.64 0.00 0.00 178.16 175.09 2dmk h ASN 66 N 0.00 0.66 -0.80 -2.11 -0.73 0.13 -3.33 115.58 109.40 2dmk h ASN 66 Ca 0.06 -0.60 -0.73 0.00 1.87 0.00 0.00 56.30 56.90 2dmk h ASN 66 Cb 1.38 -0.19 -0.09 0.00 0.27 0.00 0.00 38.32 39.69 2dmk h ASN 66 CO -0.00 1.15 2.71 -0.24 -0.37 0.00 0.00 177.43 180.68 2dmk n SER 67 N -4.23 6.63 0.08 1.15 2.88 0.18 -4.69 113.62 115.63 2dmk n SER 67 Ca -0.07 -2.97 0.06 0.00 -1.33 0.00 0.00 58.87 54.56 2dmk n SER 67 Cb 0.58 -1.48 0.32 0.00 -0.75 0.00 0.00 64.21 62.87 2dmk n SER 67 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2dmk n VAL 68 N 3.12 1.39 0.27 2.46 0.24 -1.25 -1.91 118.33 122.65 2dmk n VAL 68 Ca 0.57 0.55 0.10 0.00 -2.04 0.00 0.00 64.34 63.51 2dmk n VAL 68 Cb 0.30 -1.51 0.70 0.00 -1.47 0.00 0.00 33.84 31.85 2dmk n VAL 68 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2dmk h ASP 69 N 0.00 0.00 0.99 -1.34 1.82 -1.93 -1.37 116.42 114.59 2dmk h ASP 69 Ca 0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 2dmk h ASP 69 Cb 0.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2dmk h ASP 69 CO 0.00 0.01 -1.04 -1.28 -1.61 0.00 0.00 179.24 175.32 2dmk h SER 70 N 0.00 0.00 -3.22 2.28 0.87 -1.78 -3.47 113.55 108.24 2dmk h SER 70 Ca -0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 2dmk h SER 70 Cb 0.02 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.20 2dmk h SER 70 CO 0.00 0.91 -0.55 0.79 -0.53 0.00 0.00 176.83 177.45 2dmk n TRP 71 N -3.27 -1.12 -4.19 2.24 7.02 -0.52 -4.99 117.44 112.63 2dmk n TRP 71 Ca -0.03 0.19 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 2dmk n TRP 71 Cb 0.92 -1.75 -0.12 0.00 -2.42 0.00 0.00 31.31 27.94 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 -3.79 3.66 0.02 -0.99 -1.94 -0.78 -4.99 119.30 110.49 2dmk s MET 72 Ca 0.59 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 54.14 2dmk s MET 72 Cb -0.19 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 2dmk s MET 72 CO 0.66 0.11 -0.22 0.42 -0.01 0.00 0.00 175.02 175.98 2dmk s ILE 73 N 0.72 2.46 -0.38 2.53 1.09 -1.26 -2.02 121.20 124.34 2dmk s ILE 73 Ca -0.00 -1.18 0.01 0.00 -1.10 0.00 0.00 60.65 58.37 2dmk s ILE 73 Cb -0.14 -1.97 0.12 0.00 -1.06 0.00 0.00 42.46 39.41 2dmk s ILE 73 CO 0.02 0.43 0.18 -0.69 -0.10 0.00 0.00 174.94 174.77 2dmk s VAL 74 N -0.80 1.05 0.96 2.92 1.01 -1.15 -5.00 120.40 119.39 2dmk s VAL 74 Ca 0.12 -1.98 -0.16 0.00 0.00 0.00 0.00 61.98 59.96 2dmk s VAL 74 Cb -0.10 -1.76 0.24 0.00 0.00 0.00 0.00 36.38 34.75 2dmk s VAL 74 CO 0.02 -0.81 0.85 -0.81 0.00 0.00 0.00 175.10 174.35 2dmk n PRO 75 N 4.14 -2.68 -3.27 2.72 -0.04 -1.26 -3.89 135.00 130.72 2dmk n PRO 75 Ca 0.05 -1.36 -0.15 0.00 -0.04 0.00 0.00 63.50 62.00 2dmk n PRO 75 Cb 0.38 -1.27 0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 -4.46 -2.20 -4.23 3.54 3.02 -1.26 -4.99 115.26 104.68 2dmk n ASN 76 Ca 0.12 -0.56 -0.38 0.00 -0.03 0.00 0.00 54.58 53.73 2dmk n ASN 76 Cb 0.46 -4.64 -0.12 0.00 -0.61 0.00 0.00 39.78 34.87 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 -3.32 3.73 -0.33 2.41 1.01 -1.24 -4.94 121.20 118.52 2dmk s ILE 77 Ca 0.02 -1.44 0.06 0.00 0.00 0.00 0.00 60.65 59.29 2dmk s ILE 77 Cb -0.00 -3.26 0.46 0.00 0.01 0.00 0.00 42.46 39.66 2dmk s ILE 77 CO 0.65 -0.38 1.31 0.29 0.00 0.00 0.00 174.94 176.81 2dmk n LYS 78 N 4.78 3.20 -4.09 2.79 4.76 -1.26 -2.39 118.16 125.95 2dmk n LYS 78 Ca -0.10 -3.92 -0.21 0.00 -2.87 0.00 0.00 58.31 51.22 2dmk n LYS 78 Cb 0.43 -2.19 -0.07 0.00 -1.84 0.00 0.00 35.03 31.37 2dmk n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dmk n GLN 79 N -0.80 0.52 -0.35 1.97 0.00 -1.26 -5.05 117.38 112.41 2dmk n GLN 79 Ca 0.43 -3.04 0.08 0.00 0.00 0.00 0.00 57.00 54.47 2dmk n GLN 79 Cb 0.91 1.94 0.24 0.00 0.00 0.00 0.00 30.24 33.33 2dmk n GLN 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dmk n ASN 80 N -1.67 3.64 -3.41 2.61 4.13 -1.26 -4.92 115.26 114.38 2dmk n ASN 80 Ca -0.01 -2.28 0.01 0.00 1.68 0.00 0.00 54.58 53.98 2dmk n ASN 80 Cb 0.54 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 38.34 2dmk n ASN 80 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2dmk s HIS 81 N -1.52 -0.48 -0.22 3.10 -3.43 -1.26 -2.30 115.29 109.18 2dmk s HIS 81 Ca 0.36 0.86 -0.03 0.00 -0.80 0.00 0.00 55.06 55.45 2dmk s HIS 81 Cb 0.22 0.29 -0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2dmk s HIS 81 CO 0.19 -0.24 -0.07 -0.47 -2.00 0.00 0.00 174.74 172.15 2dmk s TYR 82 N 2.06 2.94 -0.47 0.38 6.14 -1.23 -4.95 117.35 122.23 2dmk s TYR 82 Ca -0.03 -1.09 -0.28 0.00 0.64 0.00 0.00 57.07 56.30 2dmk s TYR 82 Cb -0.04 -2.07 0.03 0.00 0.42 0.00 0.00 41.96 40.29 2dmk s TYR 82 CO -0.16 -0.60 1.09 0.99 0.64 0.00 0.00 175.55 177.50 2dmk s THR 83 N 1.44 4.28 -0.46 4.34 2.01 -1.26 -3.79 115.64 122.20 2dmk s THR 83 Ca 0.05 1.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 2dmk s THR 83 Cb -0.14 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.84 2dmk s THR 83 CO -0.05 -0.94 0.77 -0.69 -0.69 0.00 0.00 174.62 173.01 2dmk s VAL 84 N 4.26 4.66 0.11 3.82 1.01 -0.56 -4.92 120.40 128.78 2dmk s VAL 84 Ca 0.45 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 2dmk s VAL 84 Cb -0.08 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2dmk s VAL 84 CO 0.30 -0.74 0.34 -1.00 0.00 0.00 0.00 175.10 174.00 2dmk s HIS 85 N 3.24 3.50 0.00 5.22 3.76 -1.26 -1.98 115.29 127.77 2dmk s HIS 85 Ca 0.28 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 2dmk s HIS 85 Cb -0.13 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.60 2dmk s HIS 85 CO 0.21 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 175.00 2dmk n GLY 86 N 0.25 1.10 3.97 -2.22 0.00 0.17 -4.96 105.19 103.50 2dmk n GLY 86 Ca -0.04 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.19 3.21 0.07 0.99 1.43 -0.68 -4.99 118.68 118.53 2dmk s LEU 87 Ca 0.00 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.23 2dmk s LEU 87 Cb 0.00 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2dmk s LEU 87 CO 0.00 -1.02 0.32 -1.10 0.23 0.00 0.00 176.35 174.79 2dmk s GLN 88 N -4.40 3.61 0.28 1.70 -1.52 -1.25 -4.00 119.66 114.08 2dmk s GLN 88 Ca 0.52 -0.07 -0.25 0.00 -1.95 0.00 0.00 55.36 53.61 2dmk s GLN 88 Cb -0.05 -2.98 -0.09 0.00 -0.22 0.00 0.00 33.01 29.66 2dmk s GLN 88 CO 0.32 0.57 0.88 -1.12 -0.25 0.00 0.00 175.29 175.69 2dmk s SER 89 N -2.03 7.33 -1.34 5.90 0.01 -0.75 -3.98 113.70 118.84 2dmk s SER 89 Ca 0.34 1.75 -0.02 0.00 1.31 0.00 0.00 55.95 59.32 2dmk s SER 89 Cb -0.13 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2dmk s SER 89 CO 0.20 0.01 0.74 0.61 0.41 0.00 0.00 173.24 175.21 2dmk n GLY 90 N 0.81 -0.32 2.94 3.44 0.00 -0.90 -4.93 105.19 106.23 2dmk n GLY 90 Ca -0.00 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.62 0.05 0.45 2.61 2.01 -1.26 -4.92 115.64 110.96 2dmk s THR 91 Ca 0.10 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.49 2dmk s THR 91 Cb -0.05 -0.14 -0.08 0.00 0.01 0.00 0.00 72.50 72.24 2dmk s THR 91 CO 0.82 -0.21 1.11 -0.13 -0.69 0.00 0.00 174.62 175.51 2dmk s ARG 92 N -0.61 3.86 -0.13 4.92 0.52 -1.26 -2.80 118.95 123.46 2dmk s ARG 92 Ca -0.07 1.61 -0.05 0.00 -0.52 0.00 0.00 55.73 56.71 2dmk s ARG 92 Cb -0.04 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.12 2dmk s ARG 92 CO -0.00 -0.42 0.26 0.71 0.02 0.00 0.00 175.30 175.86 2dmk s TYR 93 N -1.66 -0.41 -0.07 -0.53 1.51 0.99 -2.55 117.35 114.63 2dmk s TYR 93 Ca 0.63 0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 57.46 2dmk s TYR 93 Cb -0.24 -0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.52 2dmk s TYR 93 CO 0.30 -0.34 0.48 0.42 -1.11 0.00 0.00 175.55 175.29 2dmk s ILE 94 N 2.35 5.10 -0.08 2.71 1.01 -1.05 -1.55 121.20 129.69 2dmk s ILE 94 Ca 0.01 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.67 2dmk s ILE 94 Cb -0.12 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 2dmk s ILE 94 CO -0.08 0.41 -0.23 -0.36 0.00 0.00 0.00 174.94 174.67 2dmk s PHE 95 N 0.05 2.41 -0.23 3.97 0.40 -0.77 -2.67 117.98 121.13 2dmk s PHE 95 Ca 0.26 -0.88 -0.04 0.00 -0.60 0.00 0.00 56.93 55.68 2dmk s PHE 95 Cb -0.16 -1.60 0.08 0.00 0.51 0.00 0.00 43.02 41.84 2dmk s PHE 95 CO 0.12 -0.33 0.09 0.42 0.70 0.00 0.00 175.22 176.22 2dmk s ILE 96 N 0.16 0.22 0.14 0.64 1.01 0.04 -1.56 121.20 121.85 2dmk s ILE 96 Ca -0.12 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 2dmk s ILE 96 Cb -0.16 -0.98 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 2dmk s ILE 96 CO 0.06 -0.46 0.82 -0.69 0.00 0.00 0.00 174.94 174.68 2dmk s VAL 97 N 1.98 4.44 -0.11 2.92 1.01 -1.26 -2.59 120.40 126.79 2dmk s VAL 97 Ca 0.04 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.82 2dmk s VAL 97 Cb -0.16 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2dmk s VAL 97 CO -0.20 0.45 -0.12 -0.75 0.00 0.00 0.00 175.10 174.48 2dmk s LYS 98 N -0.70 1.96 -0.17 2.72 2.20 0.67 -1.64 119.74 124.77 2dmk s LYS 98 Ca 0.39 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 2dmk s LYS 98 Cb -0.23 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 2dmk s LYS 98 CO 0.27 -0.15 0.43 0.00 -0.36 0.00 0.00 175.35 175.54 2dmk s ALA 99 N 1.27 3.53 -0.13 3.13 0.00 -1.10 -0.62 121.76 127.85 2dmk s ALA 99 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2dmk s ALA 99 Cb -0.14 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2dmk s ALA 99 CO -0.05 -0.20 -0.11 0.42 0.00 0.00 0.00 175.76 175.81 2dmk s ILE 100 N 1.10 3.22 0.29 0.00 1.09 -1.04 -2.00 121.20 123.86 2dmk s ILE 100 Ca 0.22 -0.60 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 2dmk s ILE 100 Cb -0.15 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.87 2dmk s ILE 100 CO 0.08 0.52 0.19 -0.46 -0.10 0.00 0.00 174.94 175.18 2dmk n ASN 101 N 3.43 -0.00 -0.09 3.58 6.94 -0.33 -0.98 115.26 127.81 2dmk n ASN 101 Ca -0.18 -2.80 0.12 0.00 -0.02 0.00 0.00 54.58 51.70 2dmk n ASN 101 Cb 0.53 1.20 0.50 0.00 -2.36 0.00 0.00 39.78 39.65 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 0.40 0.00 -3.83 5.75 -1.98 -3.17 115.11 112.28 2dmk h GLN 102 Ca -0.22 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2dmk h GLN 102 Cb 0.99 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2dmk h GLN 102 CO 0.32 0.26 0.00 0.00 -2.65 0.00 0.00 178.83 176.77 2dmk n ALA 103 N -2.52 -0.18 -2.35 3.38 0.00 -1.26 -5.07 120.51 112.51 2dmk n ALA 103 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2dmk n ALA 103 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.74 3.46 3.04 0.00 0.00 -1.17 -4.92 105.19 106.34 2dmk n GLY 104 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 0.93 -0.22 1.61 1.04 -1.26 -1.19 113.70 116.60 2dmk s SER 105 Ca 0.00 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 2dmk s SER 105 Cb 0.00 -0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.16 2dmk s SER 105 CO 0.00 -0.06 0.02 -0.60 0.98 0.00 0.00 173.24 173.57 2dmk s ARG 106 N -0.98 0.94 -0.08 4.02 6.06 -0.85 -4.71 118.95 123.36 2dmk s ARG 106 Ca -0.04 -0.67 -0.26 0.00 -2.50 0.00 0.00 55.73 52.27 2dmk s ARG 106 Cb -0.07 -2.24 -0.03 0.00 0.06 0.00 0.00 34.95 32.67 2dmk s ARG 106 CO 0.00 -0.67 0.83 0.54 -2.50 0.00 0.00 175.30 173.50 2dmk s ASN 107 N 1.69 7.10 1.00 -2.12 4.22 -1.26 -2.70 114.94 122.86 2dmk s ASN 107 Ca -0.01 1.33 -0.16 0.00 -2.14 0.00 0.00 52.86 51.88 2dmk s ASN 107 Cb -0.18 -2.48 0.21 0.00 1.28 0.00 0.00 41.25 40.09 2dmk s ASN 107 CO -0.09 -0.25 1.27 -0.55 -2.04 0.00 0.00 177.10 175.44 2dmk s SER 108 N 0.97 2.81 0.50 3.54 0.15 -0.65 -5.01 113.70 116.01 2dmk s SER 108 Ca 0.42 0.37 -0.19 0.00 0.70 0.00 0.00 55.95 57.26 2dmk s SER 108 Cb -0.18 -0.49 -0.08 0.00 -1.71 0.00 0.00 66.02 63.56 2dmk s SER 108 CO 0.19 -2.93 1.03 -1.61 1.20 0.00 0.00 173.24 171.12 2dmk s GLU 109 N -5.78 3.76 -0.10 5.44 0.41 -1.26 -4.77 118.70 116.40 2dmk s GLU 109 Ca 0.73 1.27 -0.29 0.00 -0.41 0.00 0.00 54.97 56.27 2dmk s GLU 109 Cb -0.05 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 2dmk s GLU 109 CO 0.53 -0.45 1.53 -1.25 -0.49 0.00 0.00 175.26 175.13 2dmk s PRO 110 N -3.46 4.16 -0.39 0.39 0.04 -1.26 -4.70 135.00 129.78 2dmk s PRO 110 Ca 0.65 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 2dmk s PRO 110 Cb -0.15 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 30.49 2dmk s PRO 110 CO 0.23 -0.84 0.26 0.99 0.04 0.00 0.00 177.00 177.68 2dmk s THR 111 N 3.98 4.99 0.20 1.26 2.01 -0.60 -4.92 115.64 122.56 2dmk s THR 111 Ca 0.67 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 2dmk s THR 111 Cb -0.29 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 2dmk s THR 111 CO 0.25 -0.26 1.16 -0.13 -0.69 0.00 0.00 174.62 174.95 2dmk s ARG 112 N 1.63 4.53 0.03 4.92 1.81 -1.26 -1.85 118.95 128.77 2dmk s ARG 112 Ca 0.04 1.84 -0.01 0.00 -1.72 0.00 0.00 55.73 55.88 2dmk s ARG 112 Cb -0.19 -3.24 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 2dmk s ARG 112 CO 0.09 -0.00 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.17 2dmk s LEU 113 N -0.52 2.33 -0.03 2.53 1.43 -0.59 -4.99 118.68 118.84 2dmk s LEU 113 Ca 0.50 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2dmk s LEU 113 Cb -0.32 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.06 2dmk s LEU 113 CO 0.37 -0.43 -0.11 -0.54 0.23 0.00 0.00 176.35 175.88 2dmk s LYS 114 N -2.49 1.20 0.79 1.70 1.02 -1.26 -0.01 119.74 120.69 2dmk s LYS 114 Ca -0.06 -0.38 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 2dmk s LYS 114 Cb -0.02 -1.09 0.11 0.00 -0.52 0.00 0.00 37.83 36.30 2dmk s LYS 114 CO -0.05 0.13 1.11 0.95 -0.92 0.00 0.00 175.35 176.58 2dmk s THR 115 N 0.21 2.14 0.24 2.17 -4.23 -1.12 -4.69 115.64 110.36 2dmk s THR 115 Ca -0.04 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.08 2dmk s THR 115 Cb -0.10 -2.94 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 2dmk s THR 115 CO 0.01 0.00 0.71 0.54 -0.54 0.00 0.00 174.62 175.34 2dmk s ASN 116 N -4.65 6.98 0.02 3.99 2.20 -1.26 -4.05 114.94 118.17 2dmk s ASN 116 Ca 0.65 1.36 -0.05 0.00 -0.94 0.00 0.00 52.86 53.88 2dmk s ASN 116 Cb -0.08 -2.40 -0.01 0.00 -2.00 0.00 0.00 41.25 36.76 2dmk s ASN 116 CO 0.47 -0.02 1.08 0.77 -2.94 0.00 0.00 177.10 176.47 2dmk h SER 117 N 3.16 -0.33 -4.54 3.54 4.64 -1.94 -2.40 113.55 115.67 2dmk h SER 117 Ca -0.48 0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 60.63 2dmk h SER 117 Cb 1.19 0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 2dmk h SER 117 CO 0.65 -0.04 -0.68 -1.10 -0.87 0.00 0.00 176.83 174.80 2dmk s GLN 118 N -3.39 1.00 0.96 4.77 -0.21 -1.26 -3.83 119.66 117.71 2dmk s GLN 118 Ca -0.02 -1.46 -0.16 0.00 0.02 0.00 0.00 55.36 53.74 2dmk s GLN 118 Cb 0.02 -0.25 0.24 0.00 1.00 0.00 0.00 33.01 34.02 2dmk s GLN 118 CO 0.10 -0.08 0.85 -0.35 -2.12 0.00 0.00 175.29 173.69 2dmk n PRO 119 N -0.16 -2.70 -1.86 2.91 -0.04 -1.26 -4.82 135.00 127.07 2dmk n PRO 119 Ca -0.09 -1.37 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 2dmk n PRO 119 Cb 0.62 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.55 1.55 -0.19 0.54 0.08 -1.26 -4.94 117.98 111.21 2dmk s PHE 120 Ca 0.56 0.69 -0.27 0.00 0.12 0.00 0.00 56.93 58.03 2dmk s PHE 120 Cb -0.05 -4.02 -0.01 0.00 -0.57 0.00 0.00 43.02 38.37 2dmk s PHE 120 CO 0.43 -3.18 0.91 0.15 -0.10 0.00 0.00 175.22 173.43 2dmk s LYS 121 N 6.19 4.28 -0.17 0.44 -0.14 -1.26 -4.97 119.74 124.11 2dmk s LYS 121 Ca 0.86 1.15 -0.36 0.00 -1.36 0.00 0.00 55.97 56.26 2dmk s LYS 121 Cb -0.24 -3.60 -0.12 0.00 -1.68 0.00 0.00 37.83 32.18 2dmk s LYS 121 CO 0.32 -0.44 1.90 0.43 -0.76 0.00 0.00 175.35 176.80 2dmk n SER 122 N 5.64 3.05 -4.62 2.83 7.64 -1.26 -4.85 113.62 122.04 2dmk n SER 122 Ca 0.07 0.91 -0.43 0.00 1.01 0.00 0.00 58.87 60.43 2dmk n SER 122 Cb 0.48 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 2dmk n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmk s GLY 123 N 4.49 1.02 0.00 0.23 0.00 -1.26 -4.84 107.32 106.95 2dmk s GLY 123 Ca 0.96 0.73 0.15 0.00 0.00 0.00 0.00 44.72 46.57 2dmk s GLY 123 CO 0.54 3.37 1.40 -1.55 0.00 0.00 0.00 173.10 176.87 2dmk n PRO 124 N 8.03 0.21 -1.93 2.90 -0.04 -1.26 -4.75 135.00 138.17 2dmk n PRO 124 Ca 0.23 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.41 2dmk n PRO 124 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2dmk n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmk s SER 125 N -2.56 6.36 0.08 3.54 1.04 -1.26 -4.91 113.70 116.00 2dmk s SER 125 Ca 0.14 2.06 -0.34 0.00 0.48 0.00 0.00 55.95 58.29 2dmk s SER 125 Cb 0.10 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.52 2dmk s SER 125 CO 0.22 -1.21 1.60 0.28 0.98 0.00 0.00 173.24 175.12 2dmk h SER 126 N 10.89 -1.00 0.00 7.02 0.02 -2.04 -3.55 113.55 124.90 2dmk h SER 126 Ca -0.40 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2dmk h SER 126 Cb 1.19 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2dmk h SER 126 CO 0.97 -0.60 0.00 0.61 -1.14 0.00 0.00 176.83 176.67