#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 6.99 0.03 1.61 1.04 -1.26 -5.02 113.70 117.09 2dmk s SER 2 Ca 0.00 1.20 0.06 0.00 0.48 0.00 0.00 55.95 57.68 2dmk s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2dmk s SER 2 CO 0.00 -0.80 -0.16 -0.55 0.98 0.00 0.00 173.24 172.71 2dmk s SER 3 N 1.51 1.92 0.00 7.02 0.15 -1.26 -5.09 113.70 117.95 2dmk s SER 3 Ca 0.45 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dmk s SER 3 Cb -0.14 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2dmk s SER 3 CO 0.12 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2dmk n GLY 4 N 2.06 0.72 2.30 9.45 0.00 -1.26 -4.67 105.19 113.80 2dmk n GLY 4 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2dmk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmk n SER 5 N 0.00 7.23 -2.28 1.61 7.64 -1.26 -4.78 113.62 121.78 2dmk n SER 5 Ca 0.00 -3.54 -0.12 0.00 1.01 0.00 0.00 58.87 56.23 2dmk n SER 5 Cb 0.00 -1.04 0.05 0.00 -1.01 0.00 0.00 64.21 62.21 2dmk n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmk n SER 6 N -0.34 -3.41 0.00 6.43 2.88 -1.26 -4.86 113.62 113.06 2dmk n SER 6 Ca 0.51 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2dmk n SER 6 Cb 0.57 -3.04 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 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 -1.23 -0.54 3.53 0.46 0.00 -1.26 -5.07 105.19 101.08 2dmk n GLY 7 Ca -0.07 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2dmk n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmk n GLU 8 N 0.00 0.48 -0.96 1.61 -0.58 -1.26 -4.43 120.64 115.50 2dmk n GLU 8 Ca 0.00 -0.20 -0.34 0.00 -0.42 0.00 0.00 57.16 56.20 2dmk n GLU 8 Cb 0.00 -2.58 0.03 0.00 -0.57 0.00 0.00 31.44 28.33 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dmk n GLY 9 N 6.23 -4.15 3.42 0.62 0.00 -1.26 -4.62 105.19 105.43 2dmk n GLY 9 Ca 0.52 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 7.03 -0.70 -0.28 0.99 2.34 -1.26 -4.95 118.68 121.85 2dmk s LEU 10 Ca 0.39 1.19 -0.04 0.00 0.06 0.00 0.00 54.13 55.73 2dmk s LEU 10 Cb -0.21 1.74 -0.05 0.00 -0.56 0.00 0.00 46.19 47.12 2dmk s LEU 10 CO 0.75 -0.22 3.03 0.47 -1.06 0.00 0.00 176.35 179.31 2dmk n ASP 11 N 5.01 6.02 -3.90 1.48 9.92 -1.26 -4.93 116.55 128.88 2dmk n ASP 11 Ca -0.14 -2.93 -0.27 0.00 -0.53 0.00 0.00 54.79 50.91 2dmk n ASP 11 Cb 0.52 -1.29 0.22 0.00 -0.64 0.00 0.00 41.12 39.93 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmk n TYR 12 N 1.43 -2.23 -0.06 1.24 9.36 -1.26 -4.99 117.16 120.65 2dmk n TYR 12 Ca 0.45 -0.21 -0.08 0.00 3.32 0.00 0.00 57.90 61.38 2dmk n TYR 12 Cb 0.68 -1.49 -0.06 0.00 -0.63 0.00 0.00 39.34 37.84 2dmk n TYR 12 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2dmk n LEU 13 N -3.33 2.67 -0.12 2.98 0.00 -1.26 -4.64 117.00 113.30 2dmk n LEU 13 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 56.01 56.08 2dmk n LEU 13 Cb 0.53 -0.36 0.15 0.00 0.00 0.00 0.00 43.42 43.74 2dmk n LEU 13 CO 0.44 0.66 0.32 1.07 0.00 0.00 0.00 177.39 179.87 2dmk n THR 14 N -2.81 -0.15 -4.16 1.96 5.66 -1.26 -3.93 114.28 109.60 2dmk n THR 14 Ca -0.21 0.75 -0.17 0.00 -3.05 0.00 0.00 64.05 61.36 2dmk n THR 14 Cb 0.74 -1.14 -0.15 0.00 -1.55 0.00 0.00 70.33 68.23 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 -4.88 0.52 0.13 1.79 0.00 -1.26 -3.56 121.76 114.49 2dmk s ALA 15 Ca -0.04 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 2dmk s ALA 15 Cb 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 2dmk s ALA 15 CO 0.27 0.06 1.35 -1.25 0.00 0.00 0.00 175.76 176.20 2dmk s PRO 16 N 0.30 4.35 0.27 0.00 0.04 -1.25 -4.84 135.00 133.86 2dmk s PRO 16 Ca -0.03 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 16 Cb -0.07 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 31.09 2dmk s PRO 16 CO -0.00 -0.38 1.23 0.09 0.04 0.00 0.00 177.00 177.98 2dmk n ASN 17 N 3.68 2.17 -4.71 6.66 4.13 -1.26 -4.33 115.26 121.60 2dmk n ASN 17 Ca 0.10 1.17 -0.42 0.00 1.68 0.00 0.00 54.58 57.11 2dmk n ASN 17 Cb 0.43 -1.38 -0.03 0.00 -1.54 0.00 0.00 39.78 37.26 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 -1.12 4.31 0.70 3.52 0.04 -1.26 -4.83 135.00 136.36 2dmk s PRO 18 Ca 0.63 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 2dmk s PRO 18 Cb -0.67 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 30.52 2dmk s PRO 18 CO 0.56 -0.48 1.10 -1.25 0.04 0.00 0.00 177.00 176.98 2dmk s PRO 19 N 1.55 2.60 -0.42 0.56 0.04 -1.26 -4.95 135.00 133.12 2dmk s PRO 19 Ca 0.64 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2dmk s PRO 19 Cb -0.35 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.37 2dmk s PRO 19 CO 0.29 -1.40 0.23 -1.12 0.04 0.00 0.00 177.00 175.04 2dmk s SER 20 N -2.87 5.34 -0.44 6.66 0.01 -0.25 -4.74 113.70 117.41 2dmk s SER 20 Ca 0.65 -2.01 -0.27 0.00 1.31 0.00 0.00 55.95 55.62 2dmk s SER 20 Cb -0.19 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2dmk s SER 20 CO 0.47 -0.57 2.06 -0.63 0.41 0.00 0.00 173.24 174.98 2dmk s ILE 21 N 1.18 3.23 -0.04 1.44 1.01 -1.26 -1.59 121.20 125.16 2dmk s ILE 21 Ca 0.08 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 2dmk s ILE 21 Cb -0.23 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2dmk s ILE 21 CO -0.04 -0.37 1.08 -0.13 0.00 0.00 0.00 174.94 175.48 2dmk s ARG 22 N 6.94 4.44 -0.01 2.79 1.81 0.62 -4.93 118.95 130.60 2dmk s ARG 22 Ca 0.85 1.53 0.11 0.00 -1.72 0.00 0.00 55.73 56.50 2dmk s ARG 22 Cb -0.20 -3.50 -0.23 0.00 -0.45 0.00 0.00 34.95 30.58 2dmk s ARG 22 CO 0.28 -0.28 0.78 0.93 -0.68 0.00 0.00 175.30 176.33 2dmk h GLU 23 N 7.09 0.01 0.00 3.54 5.08 -1.92 -2.91 114.58 125.47 2dmk h GLU 23 Ca -0.36 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2dmk h GLU 23 Cb 1.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2dmk h GLU 23 CO 0.83 0.63 -0.23 1.05 -1.00 0.00 0.00 179.01 180.29 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.97 -3.07 114.58 115.99 2dmk h GLU 24 Ca -0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.88 2dmk h GLU 24 Cb 1.97 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.16 2dmk h GLU 24 CO 0.09 0.23 -1.90 1.28 0.07 0.00 0.00 179.01 178.78 2dmk n LEU 25 N -3.41 0.67 -4.79 3.06 4.77 -1.25 -4.94 117.00 111.11 2dmk n LEU 25 Ca 0.00 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 2dmk n LEU 25 Cb 0.42 0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2dmk n LEU 25 CO 0.33 0.43 0.73 0.00 -1.33 0.00 0.00 177.39 177.54 2dmk s THR 27 N -2.35 1.10 -0.10 0.00 -4.23 0.18 -4.93 115.64 105.31 2dmk s THR 27 Ca 0.65 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2dmk s THR 27 Cb -0.18 -1.06 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 2dmk s THR 27 CO 0.36 -0.22 -0.19 0.00 -0.54 0.00 0.00 174.62 174.03 2dmk s ALA 28 N -1.27 2.40 0.28 3.99 0.00 -1.26 -1.13 121.76 124.77 2dmk s ALA 28 Ca -0.02 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2dmk s ALA 28 Cb -0.10 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 2dmk s ALA 28 CO 0.02 0.31 -0.00 0.45 0.00 0.00 0.00 175.76 176.54 2dmk s SER 29 N 0.20 2.32 0.03 0.00 0.15 0.26 -4.14 113.70 112.52 2dmk s SER 29 Ca -0.11 -1.25 -0.06 0.00 0.70 0.00 0.00 55.95 55.22 2dmk s SER 29 Cb -0.16 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2dmk s SER 29 CO 0.06 -0.48 1.11 1.12 1.20 0.00 0.00 173.24 176.25 2dmk h HIS 30 N 2.30 -0.36 -0.56 3.44 2.07 -1.86 -3.12 115.15 117.06 2dmk h HIS 30 Ca -0.40 0.02 -0.41 0.00 -2.85 0.00 0.00 60.37 56.73 2dmk h HIS 30 Cb 1.23 0.18 -0.34 0.00 2.57 0.00 0.00 27.41 31.04 2dmk h HIS 30 CO 0.61 -0.08 -0.79 -0.25 -3.07 0.00 0.00 177.93 174.35 2dmk n ASP 31 N -3.36 3.95 -3.64 3.10 8.00 -1.26 -2.64 116.55 120.70 2dmk n ASP 31 Ca -0.00 -3.60 -0.10 0.00 0.71 0.00 0.00 54.79 51.80 2dmk n ASP 31 Cb 0.06 -0.39 -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 -4.17 0.00 -0.02 -3.53 -4.23 -1.18 -3.02 115.64 99.48 2dmk s THR 32 Ca 0.46 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 2dmk s THR 32 Cb 0.39 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 73.25 2dmk s THR 32 CO 0.01 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.44 2dmk s ILE 33 N 0.90 0.25 -0.31 2.99 1.01 -1.10 0.90 121.20 125.83 2dmk s ILE 33 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 2dmk s ILE 33 Cb -0.05 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.18 2dmk s ILE 33 CO -0.08 0.12 0.04 -0.89 0.00 0.00 0.00 174.94 174.13 2dmk s THR 34 N 0.52 3.35 -0.17 2.92 2.01 -0.29 -1.39 115.64 122.59 2dmk s THR 34 Ca -0.05 -1.21 -0.10 0.00 0.31 0.00 0.00 61.69 60.63 2dmk s THR 34 Cb -0.08 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2dmk s THR 34 CO -0.01 -0.10 0.17 -0.69 -0.69 0.00 0.00 174.62 173.30 2dmk s VAL 35 N 1.33 5.40 -0.19 3.82 1.01 -1.20 -0.65 120.40 129.92 2dmk s VAL 35 Ca -0.03 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 2dmk s VAL 35 Cb -0.19 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2dmk s VAL 35 CO 0.00 0.47 -0.06 -1.00 0.00 0.00 0.00 175.10 174.51 2dmk s HIS 36 N 0.10 2.93 -0.10 5.22 3.76 -1.26 -3.03 115.29 122.91 2dmk s HIS 36 Ca 0.11 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2dmk s HIS 36 Cb -0.12 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2dmk s HIS 36 CO 0.00 -0.38 -0.10 1.67 -0.85 0.00 0.00 174.74 175.09 2dmk s TRP 37 N 1.01 2.86 -0.15 1.40 -2.14 -0.71 -0.27 118.94 120.94 2dmk s TRP 37 Ca 0.00 -0.31 -0.02 0.00 2.66 0.00 0.00 56.10 58.43 2dmk s TRP 37 Cb -0.15 -1.79 -0.02 0.00 -3.10 0.00 0.00 33.47 28.41 2dmk s TRP 37 CO -0.00 0.04 -0.07 -1.50 -2.66 0.00 0.00 176.95 172.76 2dmk s ILE 38 N -0.15 3.57 0.10 0.66 1.10 -0.62 -4.86 121.20 120.99 2dmk s ILE 38 Ca 0.01 -0.47 0.05 0.00 -0.51 0.00 0.00 60.65 59.72 2dmk s ILE 38 Cb -0.13 -2.55 -0.03 0.00 0.15 0.00 0.00 42.46 39.90 2dmk s ILE 38 CO 0.03 0.50 -0.13 -0.55 -2.11 0.00 0.00 174.94 172.68 2dmk s SER 39 N 0.44 1.70 -0.05 4.50 0.15 -1.26 -1.09 113.70 118.09 2dmk s SER 39 Ca -0.06 -0.75 0.09 0.00 0.70 0.00 0.00 55.95 55.94 2dmk s SER 39 Cb -0.15 -0.04 -0.24 0.00 -1.71 0.00 0.00 66.02 63.89 2dmk s SER 39 CO 0.04 -0.16 0.65 -2.24 1.20 0.00 0.00 173.24 172.72 2dmk h ASP 40 N 3.79 0.07 -3.19 5.45 2.03 -1.94 -3.44 116.42 119.19 2dmk h ASP 40 Ca -0.39 -0.14 -0.58 0.00 -0.73 0.00 0.00 57.03 55.18 2dmk h ASP 40 Cb 1.19 -0.02 -0.40 0.00 -0.83 0.00 0.00 39.33 39.27 2dmk h ASP 40 CO 0.48 1.13 -0.76 -1.81 -1.03 0.00 0.00 179.24 177.25 2dmk s ASP 41 N -6.26 4.00 -0.07 4.15 1.11 -1.26 -4.94 116.67 113.39 2dmk s ASP 41 Ca -0.07 -1.60 0.04 0.00 0.18 0.00 0.00 52.55 51.10 2dmk s ASP 41 Cb 0.08 -0.89 -0.07 0.00 1.07 0.00 0.00 42.92 43.11 2dmk s ASP 41 CO 0.82 -0.40 -0.01 -1.84 1.18 0.00 0.00 175.17 174.91 2dmk n GLU 42 N 4.83 1.91 -0.59 8.23 0.28 -1.26 -4.54 120.64 129.50 2dmk n GLU 42 Ca -0.02 0.02 0.47 0.00 -0.16 0.00 0.00 57.16 57.46 2dmk n GLU 42 Cb 0.42 -1.17 0.77 0.00 1.43 0.00 0.00 31.44 32.89 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 0.16 0.10 -1.84 -1.00 -1.99 0.71 116.94 113.08 2dmk h PHE 43 Ca -0.19 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.47 2dmk h PHE 43 Cb 1.37 -0.04 0.02 0.00 3.61 0.00 0.00 35.95 40.91 2dmk h PHE 43 CO 0.00 -0.08 -0.59 0.77 -1.61 0.00 0.00 178.31 176.81 2dmk h SER 44 N 0.02 0.35 -1.80 2.17 0.02 -2.01 -3.45 113.55 108.85 2dmk h SER 44 Ca 0.88 -0.95 -0.67 0.00 -0.84 0.00 0.00 61.79 60.20 2dmk h SER 44 Cb 3.30 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 65.74 2dmk h SER 44 CO -0.15 1.27 0.99 -0.38 -1.14 0.00 0.00 176.83 177.43 2dmk n ILE 45 N -4.26 0.43 -0.08 3.27 5.41 0.25 -4.76 119.36 119.62 2dmk n ILE 45 Ca -0.13 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.42 2dmk n ILE 45 Cb 0.72 -1.55 -0.05 0.00 -0.71 0.00 0.00 39.64 38.05 2dmk n ILE 45 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dmk h SER 46 N 8.13 0.49 -5.05 4.38 0.87 -1.73 -3.47 113.55 117.18 2dmk h SER 46 Ca -0.47 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 59.62 2dmk h SER 46 Cb 1.29 -0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 62.98 2dmk h SER 46 CO 0.95 0.80 -0.01 -0.94 -0.53 0.00 0.00 176.83 177.10 2dmk s SER 47 N -6.16 -0.33 0.22 6.23 1.04 -1.20 -5.03 113.70 108.45 2dmk s SER 47 Ca -0.14 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.21 2dmk s SER 47 Cb 0.07 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2dmk s SER 47 CO 0.77 -0.83 0.13 -0.31 0.98 0.00 0.00 173.24 173.98 2dmk s TYR 48 N -3.44 3.04 -0.04 5.02 2.02 -0.99 -2.81 117.35 120.17 2dmk s TYR 48 Ca 0.00 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2dmk s TYR 48 Cb 0.01 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2dmk s TYR 48 CO -0.10 0.53 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.33 2dmk s GLU 49 N -3.47 1.07 -0.06 -0.62 -6.30 -1.10 -3.66 118.70 104.56 2dmk s GLU 49 Ca 0.31 -0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 2dmk s GLU 49 Cb -0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 34.13 33.03 2dmk s GLU 49 CO 0.23 0.06 -0.03 -1.17 0.02 0.00 0.00 175.26 174.37 2dmk s LEU 50 N 0.42 3.40 -0.15 2.70 2.96 -1.25 -1.66 118.68 125.10 2dmk s LEU 50 Ca -0.07 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2dmk s LEU 50 Cb -0.11 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.81 2dmk s LEU 50 CO 0.01 0.35 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.24 2dmk s GLN 51 N -1.02 1.31 0.04 1.98 -0.21 -1.10 -2.57 119.66 118.09 2dmk s GLN 51 Ca 0.14 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.18 2dmk s GLN 51 Cb -0.11 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.03 2dmk s GLN 51 CO 0.04 -0.41 -0.17 1.52 -2.12 0.00 0.00 175.29 174.16 2dmk s TYR 52 N 1.70 1.44 -0.17 0.91 1.13 -1.03 -1.30 117.35 120.03 2dmk s TYR 52 Ca 0.02 -0.36 -0.24 0.00 -1.41 0.00 0.00 57.07 55.08 2dmk s TYR 52 Cb -0.15 -0.86 0.06 0.00 -1.10 0.00 0.00 41.96 39.92 2dmk s TYR 52 CO -0.08 0.06 0.61 -0.08 -2.51 0.00 0.00 175.55 173.56 2dmk s THR 53 N -0.84 0.00 -0.21 -3.49 -1.32 -1.11 -2.76 115.64 105.91 2dmk s THR 53 Ca 0.04 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2dmk s THR 53 Cb -0.08 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 2dmk s THR 53 CO 0.01 -0.02 1.63 -0.63 -2.21 0.00 0.00 174.62 173.41 2dmk s ILE 54 N -0.20 3.67 -0.51 5.08 1.01 -1.26 -2.26 121.20 126.73 2dmk s ILE 54 Ca -0.04 0.75 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 2dmk s ILE 54 Cb -0.03 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.82 2dmk s ILE 54 CO 0.03 -0.28 0.59 0.12 0.00 0.00 0.00 174.94 175.40 2dmk s PHE 55 N 5.24 3.08 0.43 3.97 5.36 -1.01 -4.97 117.98 130.08 2dmk s PHE 55 Ca 0.72 -0.67 0.04 0.00 -0.96 0.00 0.00 56.93 56.06 2dmk s PHE 55 Cb -0.25 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 38.85 2dmk s PHE 55 CO 0.29 -1.02 0.03 0.95 -1.46 0.00 0.00 175.22 174.02 2dmk s THR 56 N 2.43 1.37 -0.39 0.12 -4.23 -1.26 -4.21 115.64 109.47 2dmk s THR 56 Ca 0.12 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.36 2dmk s THR 56 Cb -0.21 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 2dmk s THR 56 CO 0.10 0.00 2.22 -0.83 -0.54 0.00 0.00 174.62 175.57 2dmk s GLY 57 N -3.72 0.11 0.35 3.99 0.00 -1.26 -4.88 107.32 101.91 2dmk s GLY 57 Ca 0.23 0.26 -0.17 0.00 0.00 0.00 0.00 44.72 45.03 2dmk s GLY 57 CO 0.12 3.85 0.77 1.62 0.00 0.00 0.00 173.10 179.46 2dmk s GLN 58 N 7.15 2.10 0.32 2.90 0.74 -1.26 -5.14 119.66 126.47 2dmk s GLN 58 Ca 0.94 -1.30 -0.14 0.00 0.05 0.00 0.00 55.36 54.90 2dmk s GLN 58 Cb -0.23 0.62 -0.11 0.00 1.10 0.00 0.00 33.01 34.39 2dmk s GLN 58 CO 0.30 -0.98 -0.00 0.00 -0.55 0.00 0.00 175.29 174.06 2dmk n ALA 59 N -0.51 -2.56 -1.03 1.58 0.00 -1.26 -4.58 120.51 112.14 2dmk n ALA 59 Ca -0.07 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 2dmk n ALA 59 Cb 0.60 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 2dmk n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dmk n ASN 60 N 1.72 -0.50 -0.32 0.00 2.85 -1.26 -4.55 115.26 113.21 2dmk n ASN 60 Ca 0.07 0.81 0.23 0.00 -0.11 0.00 0.00 54.58 55.58 2dmk n ASN 60 Cb 0.31 -0.67 0.43 0.00 1.24 0.00 0.00 39.78 41.09 2dmk n ASN 60 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2dmk n PHE 61 N 0.48 0.88 -0.25 1.20 7.35 -1.26 0.12 117.46 125.98 2dmk n PHE 61 Ca 0.13 1.13 0.06 0.00 -0.76 0.00 0.00 57.45 58.02 2dmk n PHE 61 Cb 0.12 -1.38 0.19 0.00 0.35 0.00 0.00 39.48 38.76 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 0.57 0.29 -2.13 1.08 -1.97 0.35 117.51 115.70 2dmk h ILE 62 Ca 0.70 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 2dmk h ILE 62 Cb 1.71 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 2dmk h ILE 62 CO -0.81 0.06 -0.52 -1.28 -0.69 0.00 0.00 178.15 174.92 2dmk h SER 63 N 0.34 -1.49 0.60 1.72 0.87 0.65 0.75 113.55 116.99 2dmk h SER 63 Ca 0.42 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 61.09 2dmk h SER 63 Cb 0.69 0.53 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2dmk h SER 63 CO -0.47 -0.61 -0.29 0.25 -0.53 0.00 0.00 176.83 175.18 2dmk h LEU 64 N -0.87 -0.69 -1.69 2.23 5.85 -1.41 -2.77 115.31 115.97 2dmk h LEU 64 Ca -0.03 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.89 2dmk h LEU 64 Cb 0.81 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2dmk h LEU 64 CO -0.19 -0.41 0.60 0.22 -0.34 0.00 0.00 178.44 178.32 2dmk h TYR 65 N -0.94 0.34 -0.47 1.25 3.20 -0.27 0.24 116.97 120.33 2dmk h TYR 65 Ca -0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2dmk h TYR 65 Cb 0.66 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2dmk h TYR 65 CO -0.01 0.09 0.31 -0.91 -1.64 0.00 0.00 178.16 176.00 2dmk h ASN 66 N 0.26 0.52 -2.56 -2.11 2.35 0.83 -3.12 115.58 111.75 2dmk h ASN 66 Ca 0.44 -0.01 -0.74 0.00 -0.55 0.00 0.00 56.30 55.44 2dmk h ASN 66 Cb 1.33 -0.13 -0.32 0.00 0.05 0.00 0.00 38.32 39.25 2dmk h ASN 66 CO -0.12 0.38 0.37 -1.20 -1.65 0.00 0.00 177.43 175.21 2dmk n SER 67 N -4.47 5.79 -3.28 5.81 7.64 0.85 -4.93 113.62 121.03 2dmk n SER 67 Ca 0.04 -3.50 -0.31 0.00 1.01 0.00 0.00 58.87 56.12 2dmk n SER 67 Cb 0.07 -1.04 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 2dmk n SER 67 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2dmk n VAL 68 N 0.82 3.14 -0.08 0.44 0.31 -1.18 -4.11 118.33 117.66 2dmk n VAL 68 Ca 0.31 -1.95 -0.08 0.00 -0.01 0.00 0.00 64.34 62.60 2dmk n VAL 68 Cb 0.34 -2.35 -0.11 0.00 -0.91 0.00 0.00 33.84 30.82 2dmk n VAL 68 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2dmk n ASP 69 N 4.29 1.64 0.00 4.52 2.03 -1.26 -4.57 116.55 123.20 2dmk n ASP 69 Ca 0.58 -0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.76 2dmk n ASP 69 Cb 0.20 0.62 -0.14 0.00 -0.72 0.00 0.00 41.12 41.08 2dmk n ASP 69 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dmk h SER 70 N 0.00 0.09 -0.70 1.67 0.02 -1.97 -3.48 113.55 109.18 2dmk h SER 70 Ca -0.40 -0.17 -0.52 0.00 -0.84 0.00 0.00 61.79 59.86 2dmk h SER 70 Cb 1.85 -0.03 0.05 0.00 0.14 0.00 0.00 62.40 64.41 2dmk h SER 70 CO 0.00 1.14 -0.08 0.79 -1.14 0.00 0.00 176.83 177.54 2dmk n TRP 71 N -3.18 0.20 -3.24 3.45 7.02 -1.26 -4.86 117.44 115.57 2dmk n TRP 71 Ca -0.16 0.72 -0.40 0.00 -1.02 0.00 0.00 57.50 56.64 2dmk n TRP 71 Cb 1.03 -1.43 -0.07 0.00 -2.42 0.00 0.00 31.31 28.43 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -0.21 4.13 0.20 -0.99 -1.94 -1.11 -4.99 119.30 114.39 2dmk s MET 72 Ca 0.58 0.37 0.08 0.00 -1.71 0.00 0.00 55.69 55.00 2dmk s MET 72 Cb -0.81 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 32.38 2dmk s MET 72 CO 0.39 -0.25 0.03 0.42 -0.01 0.00 0.00 175.02 175.61 2dmk s ILE 73 N 1.96 3.82 -0.35 2.53 -1.09 -1.26 -2.46 121.20 124.34 2dmk s ILE 73 Ca 0.23 -1.49 -0.00 0.00 -2.23 0.00 0.00 60.65 57.15 2dmk s ILE 73 Cb -0.15 -2.96 0.12 0.00 -1.58 0.00 0.00 42.46 37.88 2dmk s ILE 73 CO 0.09 -0.19 0.17 -0.69 -1.23 0.00 0.00 174.94 173.09 2dmk s VAL 74 N -1.90 0.64 0.00 2.92 1.01 -1.06 -5.01 120.40 117.01 2dmk s VAL 74 Ca 0.29 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.58 2dmk s VAL 74 Cb -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2dmk s VAL 74 CO 0.20 -0.83 0.00 -0.81 0.00 0.00 0.00 175.10 173.66 2dmk n PRO 75 N 4.34 -0.25 -3.89 2.72 -0.04 -1.26 -3.78 135.00 132.83 2dmk n PRO 75 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2dmk n PRO 75 Cb 0.39 0.00 0.00 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 -1.85 -2.35 -4.27 3.54 6.94 -1.26 -4.94 115.26 111.08 2dmk n ASN 76 Ca 0.00 -1.05 -0.38 0.00 -0.02 0.00 0.00 54.58 53.13 2dmk n ASN 76 Cb 0.00 -2.97 -0.12 0.00 -2.36 0.00 0.00 39.78 34.33 2dmk n ASN 76 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2dmk s ILE 77 N -3.77 3.89 -0.37 1.53 1.01 -1.24 -4.96 121.20 117.29 2dmk s ILE 77 Ca 0.21 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 59.68 2dmk s ILE 77 Cb -0.09 -3.27 0.44 0.00 0.01 0.00 0.00 42.46 39.56 2dmk s ILE 77 CO 0.89 -0.29 1.24 0.29 0.00 0.00 0.00 174.94 177.07 2dmk n LYS 78 N 4.83 3.48 -4.09 2.79 4.76 -1.26 -2.34 118.16 126.33 2dmk n LYS 78 Ca -0.11 -4.20 -0.10 0.00 -2.87 0.00 0.00 58.31 51.03 2dmk n LYS 78 Cb 0.44 -2.27 -0.09 0.00 -1.84 0.00 0.00 35.03 31.27 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 1.12 0.00 1.97 -2.07 -1.26 -5.04 119.66 110.78 2dmk s GLN 79 Ca 0.51 -1.39 0.27 0.00 -1.82 0.00 0.00 55.36 52.93 2dmk s GLN 79 Cb 0.41 0.31 0.85 0.00 -1.09 0.00 0.00 33.01 33.49 2dmk s GLN 79 CO -0.04 -0.38 1.63 0.09 -1.32 0.00 0.00 175.29 175.27 2dmk n ASN 80 N -0.20 0.65 -3.69 12.60 4.13 -1.26 -4.83 115.26 122.66 2dmk n ASN 80 Ca -0.04 -0.52 -0.11 0.00 1.68 0.00 0.00 54.58 55.60 2dmk n ASN 80 Cb 0.64 0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.84 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 -2.67 -0.68 -0.09 3.10 -3.43 -1.26 -1.74 115.29 108.52 2dmk s HIS 81 Ca 0.21 1.47 0.03 0.00 -0.80 0.00 0.00 55.06 55.97 2dmk s HIS 81 Cb 0.19 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2dmk s HIS 81 CO 0.56 -0.36 -0.20 -0.47 -2.00 0.00 0.00 174.74 172.27 2dmk s TYR 82 N 1.11 2.21 -0.50 0.38 6.14 -1.17 -4.97 117.35 120.56 2dmk s TYR 82 Ca -0.07 -0.89 -0.20 0.00 0.64 0.00 0.00 57.07 56.54 2dmk s TYR 82 Cb -0.06 -1.51 0.05 0.00 0.42 0.00 0.00 41.96 40.85 2dmk s TYR 82 CO -0.10 -0.38 0.69 0.99 0.64 0.00 0.00 175.55 177.39 2dmk s THR 83 N 0.45 4.77 -0.11 4.34 2.01 -1.26 -3.28 115.64 122.57 2dmk s THR 83 Ca -0.17 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2dmk s THR 83 Cb -0.17 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 2dmk s THR 83 CO 0.07 -0.82 1.10 -0.69 -0.69 0.00 0.00 174.62 173.59 2dmk s VAL 84 N 2.93 4.54 0.08 3.82 1.01 -0.49 -4.90 120.40 127.39 2dmk s VAL 84 Ca 0.20 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.05 2dmk s VAL 84 Cb -0.17 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2dmk s VAL 84 CO 0.15 -0.03 0.08 -1.00 0.00 0.00 0.00 175.10 174.30 2dmk s HIS 85 N 2.32 3.19 0.00 5.22 3.76 -1.26 -2.72 115.29 125.80 2dmk s HIS 85 Ca 0.51 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 2dmk s HIS 85 Cb -0.20 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.86 2dmk s HIS 85 CO 0.18 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 175.00 2dmk n GLY 86 N 0.48 0.79 3.89 -2.22 0.00 -1.17 -5.04 105.19 101.93 2dmk n GLY 86 Ca -0.09 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.60 3.33 -0.11 0.99 1.43 -1.20 -5.05 118.68 117.48 2dmk s LEU 87 Ca 0.00 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 2dmk s LEU 87 Cb 0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2dmk s LEU 87 CO 0.00 -0.72 0.23 -1.10 0.23 0.00 0.00 176.35 174.98 2dmk s GLN 88 N -4.17 3.76 0.53 1.70 -1.52 -1.26 -4.44 119.66 114.26 2dmk s GLN 88 Ca 0.48 0.03 -0.20 0.00 -1.95 0.00 0.00 55.36 53.71 2dmk s GLN 88 Cb -0.03 -3.26 -0.06 0.00 -0.22 0.00 0.00 33.01 29.44 2dmk s GLN 88 CO 0.28 0.62 1.15 -1.54 -0.25 0.00 0.00 175.29 175.55 2dmk s SER 89 N -0.66 5.76 -1.41 5.90 1.04 -1.08 -3.54 113.70 119.70 2dmk s SER 89 Ca 0.17 2.24 -0.05 0.00 0.48 0.00 0.00 55.95 58.79 2dmk s SER 89 Cb -0.13 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2dmk s SER 89 CO 0.06 -1.20 0.35 0.61 0.98 0.00 0.00 173.24 174.04 2dmk n GLY 90 N 0.27 -0.32 3.00 7.32 0.00 -1.12 -4.96 105.19 109.39 2dmk n GLY 90 Ca 0.11 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.00 0.06 0.46 2.61 2.01 -1.23 -4.94 115.64 110.61 2dmk s THR 91 Ca 0.09 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 2dmk s THR 91 Cb -0.04 -0.25 -0.08 0.00 0.01 0.00 0.00 72.50 72.15 2dmk s THR 91 CO 0.93 -0.28 1.09 -0.13 -0.69 0.00 0.00 174.62 175.54 2dmk s ARG 92 N -0.88 3.82 -0.16 4.92 0.52 -1.26 -2.86 118.95 123.06 2dmk s ARG 92 Ca -0.10 1.56 -0.05 0.00 -0.52 0.00 0.00 55.73 56.62 2dmk s ARG 92 Cb -0.06 -2.29 0.08 0.00 0.52 0.00 0.00 34.95 33.19 2dmk s ARG 92 CO 0.00 -0.45 0.31 0.71 0.02 0.00 0.00 175.30 175.89 2dmk s TYR 93 N -1.73 -0.55 0.11 -0.53 2.02 0.19 -2.42 117.35 114.44 2dmk s TYR 93 Ca 0.64 1.12 -0.17 0.00 -0.37 0.00 0.00 57.07 58.29 2dmk s TYR 93 Cb -0.23 0.06 -0.07 0.00 -0.40 0.00 0.00 41.96 41.33 2dmk s TYR 93 CO 0.27 -0.41 0.56 0.42 -1.57 0.00 0.00 175.55 174.82 2dmk s ILE 94 N 2.48 4.80 -0.04 2.71 1.01 -0.96 -0.13 121.20 131.07 2dmk s ILE 94 Ca 0.01 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.73 2dmk s ILE 94 Cb -0.12 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2dmk s ILE 94 CO -0.10 0.41 -0.13 -0.36 0.00 0.00 0.00 174.94 174.76 2dmk s PHE 95 N -1.27 1.37 -0.22 3.97 0.08 -0.55 -2.74 117.98 118.61 2dmk s PHE 95 Ca 0.33 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 2dmk s PHE 95 Cb -0.17 -0.95 0.08 0.00 -0.57 0.00 0.00 43.02 41.41 2dmk s PHE 95 CO 0.19 -0.15 0.13 0.42 -0.10 0.00 0.00 175.22 175.71 2dmk s ILE 96 N 0.17 -0.13 0.10 0.64 1.01 -0.42 -1.21 121.20 121.36 2dmk s ILE 96 Ca -0.05 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 2dmk s ILE 96 Cb -0.11 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 2dmk s ILE 96 CO 0.02 -0.43 0.82 -0.69 0.00 0.00 0.00 174.94 174.66 2dmk s VAL 97 N 2.16 4.57 -0.21 2.92 1.01 -1.26 -2.71 120.40 126.88 2dmk s VAL 97 Ca 0.05 1.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.80 2dmk s VAL 97 Cb -0.16 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2dmk s VAL 97 CO -0.20 0.39 -0.03 -0.75 0.00 0.00 0.00 175.10 174.51 2dmk s LYS 98 N -0.33 1.35 0.18 2.72 2.20 -0.67 -1.95 119.74 123.23 2dmk s LYS 98 Ca 0.40 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2dmk s LYS 98 Cb -0.22 -2.38 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 2dmk s LYS 98 CO 0.26 -0.58 1.07 0.00 -0.36 0.00 0.00 175.35 175.73 2dmk s ALA 99 N 1.55 3.35 -0.07 3.13 0.00 -1.14 -2.69 121.76 125.89 2dmk s ALA 99 Ca -0.04 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.73 2dmk s ALA 99 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dmk s ALA 99 CO -0.07 -0.16 -0.18 0.42 0.00 0.00 0.00 175.76 175.77 2dmk s ILE 100 N -0.30 1.60 0.18 0.00 1.01 -1.12 -1.79 121.20 120.77 2dmk s ILE 100 Ca 0.48 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.40 2dmk s ILE 100 Cb -0.28 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2dmk s ILE 100 CO 0.34 0.46 0.14 -0.46 0.00 0.00 0.00 174.94 175.42 2dmk n ASN 101 N 3.49 -0.21 -0.02 3.58 6.94 0.70 -2.35 115.26 127.38 2dmk n ASN 101 Ca -0.20 -2.16 0.04 0.00 -0.02 0.00 0.00 54.58 52.24 2dmk n ASN 101 Cb 0.52 0.85 0.42 0.00 -2.36 0.00 0.00 39.78 39.21 2dmk n ASN 101 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2dmk h GLN 102 N 0.00 0.56 0.28 -3.83 -0.00 -1.95 -2.97 115.11 107.21 2dmk h GLN 102 Ca -0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.47 2dmk h GLN 102 Cb 0.64 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 2dmk h GLN 102 CO 0.19 0.37 -0.14 0.00 -0.00 0.00 0.00 178.83 179.26 2dmk h ALA 103 N 1.72 -0.38 -3.00 0.06 0.00 -1.81 -3.50 119.26 112.35 2dmk h ALA 103 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dmk h ALA 103 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dmk h ALA 103 CO -0.04 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.17 2dmk n GLY 104 N 0.21 0.71 3.32 0.00 0.00 -1.12 -4.88 105.19 103.43 2dmk n GLY 104 Ca -0.08 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2dmk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 105 N 2.00 -0.01 -0.18 1.61 1.04 -1.26 -0.22 113.70 116.69 2dmk s SER 105 Ca 0.00 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.70 2dmk s SER 105 Cb 0.00 0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.64 2dmk s SER 105 CO 0.00 -0.86 0.24 -0.60 0.98 0.00 0.00 173.24 173.00 2dmk s ARG 106 N -3.90 0.18 0.08 4.02 6.06 -0.74 -4.61 118.95 120.04 2dmk s ARG 106 Ca 0.11 0.40 -0.29 0.00 -2.50 0.00 0.00 55.73 53.45 2dmk s ARG 106 Cb 0.03 -0.78 -0.05 0.00 0.06 0.00 0.00 34.95 34.21 2dmk s ARG 106 CO -0.05 -0.54 0.92 -0.80 -2.50 0.00 0.00 175.30 172.33 2dmk s ASN 107 N 2.37 7.41 0.77 -2.12 -0.87 -1.26 -2.88 114.94 118.36 2dmk s ASN 107 Ca 0.06 1.69 -0.04 0.00 -1.57 0.00 0.00 52.86 53.00 2dmk s ASN 107 Cb -0.14 -2.56 0.14 0.00 -0.02 0.00 0.00 41.25 38.67 2dmk s ASN 107 CO -0.11 -0.08 1.07 -0.94 -2.57 0.00 0.00 177.10 174.47 2dmk s SER 108 N 0.16 4.07 0.51 -1.22 1.04 -0.83 -4.97 113.70 112.47 2dmk s SER 108 Ca 0.46 -0.23 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 2dmk s SER 108 Cb -0.22 -0.07 -0.07 0.00 0.10 0.00 0.00 66.02 65.76 2dmk s SER 108 CO 0.28 -2.06 1.04 -1.61 0.98 0.00 0.00 173.24 171.87 2dmk s GLU 109 N -5.31 3.69 0.19 4.02 2.02 -1.26 -4.79 118.70 117.26 2dmk s GLU 109 Ca 0.68 1.31 -0.30 0.00 0.02 0.00 0.00 54.97 56.68 2dmk s GLU 109 Cb -0.05 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 2dmk s GLU 109 CO 0.46 -0.52 1.31 -1.25 0.02 0.00 0.00 175.26 175.29 2dmk s PRO 110 N -3.45 4.39 -0.33 0.39 0.04 -1.26 -4.68 135.00 130.08 2dmk s PRO 110 Ca 0.66 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.78 2dmk s PRO 110 Cb -0.16 -3.20 0.10 0.00 0.04 0.00 0.00 34.50 31.27 2dmk s PRO 110 CO 0.24 -0.27 0.03 0.99 0.04 0.00 0.00 177.00 178.04 2dmk s THR 111 N 0.23 2.24 0.03 1.26 2.01 -0.35 -4.93 115.64 116.14 2dmk s THR 111 Ca 0.57 -2.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.01 2dmk s THR 111 Cb -0.36 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2dmk s THR 111 CO 0.37 -0.54 1.25 -0.13 -0.69 0.00 0.00 174.62 174.88 2dmk s ARG 112 N 0.93 4.38 0.09 4.92 0.52 -1.26 -1.49 118.95 127.04 2dmk s ARG 112 Ca 0.09 1.81 0.07 0.00 -0.52 0.00 0.00 55.73 57.18 2dmk s ARG 112 Cb -0.19 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 2dmk s ARG 112 CO -0.08 -0.38 -0.17 -0.51 0.02 0.00 0.00 175.30 174.18 2dmk s LEU 113 N 1.56 2.29 -0.10 2.53 1.43 0.81 -4.95 118.68 122.27 2dmk s LEU 113 Ca 0.60 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2dmk s LEU 113 Cb -0.29 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 2dmk s LEU 113 CO 0.27 -0.02 -0.19 -0.54 0.23 0.00 0.00 176.35 176.10 2dmk s LYS 114 N -1.87 3.01 0.64 1.70 1.02 -1.26 0.53 119.74 123.50 2dmk s LYS 114 Ca 0.02 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.13 2dmk s LYS 114 Cb -0.10 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2dmk s LYS 114 CO 0.03 0.28 1.00 0.95 -0.92 0.00 0.00 175.35 176.69 2dmk s THR 115 N 0.12 3.85 0.27 2.17 -4.23 -1.13 -4.66 115.64 112.03 2dmk s THR 115 Ca -0.10 0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 2dmk s THR 115 Cb -0.16 -3.56 -0.09 0.00 1.34 0.00 0.00 72.50 70.03 2dmk s THR 115 CO 0.06 -0.68 1.16 0.20 -0.54 0.00 0.00 174.62 174.82 2dmk s ASN 116 N -4.29 7.14 0.02 3.99 0.01 -1.24 -4.03 114.94 116.53 2dmk s ASN 116 Ca 0.55 2.35 -0.03 0.00 -0.71 0.00 0.00 52.86 55.02 2dmk s ASN 116 Cb -0.11 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 2dmk s ASN 116 CO 0.49 -0.26 0.89 -1.54 -1.51 0.00 0.00 177.10 175.18 2dmk n SER 117 N 1.35 -0.11 -4.21 -1.22 3.41 -1.26 -2.77 113.62 108.81 2dmk n SER 117 Ca 0.00 0.92 -0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2dmk n SER 117 Cb 0.44 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dmk s GLN 118 N -3.29 0.98 0.62 4.33 -0.21 -1.26 -3.42 119.66 117.42 2dmk s GLN 118 Ca -0.01 -1.44 -0.10 0.00 0.02 0.00 0.00 55.36 53.83 2dmk s GLN 118 Cb 0.01 -0.26 0.15 0.00 1.00 0.00 0.00 33.01 33.92 2dmk s GLN 118 CO 0.06 -0.07 0.55 -0.35 -2.12 0.00 0.00 175.29 173.37 2dmk n PRO 119 N -0.15 -2.10 -2.08 2.91 -0.04 -1.26 -4.75 135.00 127.53 2dmk n PRO 119 Ca -0.09 -0.88 -0.40 0.00 -0.04 0.00 0.00 63.50 62.09 2dmk n PRO 119 Cb 0.62 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 33.22 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 1.79 -0.38 0.54 0.08 -1.26 -4.95 117.98 111.80 2dmk s PHE 120 Ca 0.36 0.71 -0.20 0.00 0.12 0.00 0.00 56.93 57.91 2dmk s PHE 120 Cb -0.04 -4.14 0.01 0.00 -0.57 0.00 0.00 43.02 38.28 2dmk s PHE 120 CO 0.27 -2.41 0.63 0.21 -0.10 0.00 0.00 175.22 173.83 2dmk s LYS 121 N 6.48 3.58 -0.08 0.44 2.47 -1.26 -4.91 119.74 126.46 2dmk s LYS 121 Ca 0.68 -0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.93 2dmk s LYS 121 Cb -0.15 -3.84 -0.04 0.00 -1.46 0.00 0.00 37.83 32.35 2dmk s LYS 121 CO 0.25 -0.80 -0.21 0.45 0.16 0.00 0.00 175.35 175.20 2dmk n SER 122 N 6.09 1.44 0.00 1.43 2.88 -1.26 -5.15 113.62 119.05 2dmk n SER 122 Ca -0.01 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dmk n SER 122 Cb 0.48 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2dmk n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmk n GLY 123 N 2.11 0.70 0.00 0.46 0.00 -1.26 -4.79 105.19 102.40 2dmk n GLY 123 Ca -0.08 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.27 2dmk n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmk n PRO 124 N 0.00 0.49 -0.09 1.61 -0.04 -1.26 -3.88 135.00 131.83 2dmk n PRO 124 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2dmk n PRO 124 Cb 0.00 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 2dmk n PRO 124 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmk h SER 125 N 0.00 -1.75 -3.10 3.54 4.64 -2.04 -3.46 113.55 111.38 2dmk h SER 125 Ca 0.00 0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 61.40 2dmk h SER 125 Cb 0.00 0.71 0.06 0.00 -0.31 0.00 0.00 62.40 62.86 2dmk h SER 125 CO 0.00 -0.43 -0.28 -0.24 -0.87 0.00 0.00 176.83 175.01 2dmk n SER 126 N -5.40 -3.17 0.00 4.97 2.88 -1.25 -5.24 113.62 106.40 2dmk n SER 126 Ca -0.04 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2dmk n SER 126 Cb 0.36 -2.31 0.00 0.00 -0.75 0.00 0.00 64.21 61.51 2dmk n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42