#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 -0.25 -6.21 1.61 0.87 -2.02 -3.46 113.55 104.09 2dmk h SER 2 Ca 0.00 0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 60.10 2dmk h SER 2 Cb 0.00 0.07 -0.26 0.00 -0.44 0.00 0.00 62.40 61.76 2dmk h SER 2 CO 0.00 0.17 -0.68 -1.20 -0.53 0.00 0.00 176.83 174.58 2dmk n SER 3 N -4.75 -0.96 0.00 6.23 7.64 -1.26 -4.77 113.62 115.75 2dmk n SER 3 Ca -0.04 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2dmk n SER 3 Cb 0.12 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2dmk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmk n GLY 4 N -1.16 5.65 3.69 0.23 0.00 -1.26 -5.16 105.19 107.17 2dmk n GLY 4 Ca 0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 1.00 5.05 0.26 1.61 0.01 -1.26 -5.07 113.70 115.30 2dmk s SER 5 Ca 0.00 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 2dmk s SER 5 Cb 0.00 -1.22 -0.13 0.00 0.21 0.00 0.00 66.02 64.87 2dmk s SER 5 CO 0.00 0.19 1.31 -1.54 0.41 0.00 0.00 173.24 173.60 2dmk n SER 6 N 0.65 2.43 -2.98 2.44 3.41 -1.26 -4.95 113.62 113.36 2dmk n SER 6 Ca -0.11 1.16 -0.16 0.00 -0.26 0.00 0.00 58.87 59.50 2dmk n SER 6 Cb 0.52 -1.40 -0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2dmk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmk n GLY 7 N 1.72 1.75 3.55 5.00 0.00 -1.26 -5.08 105.19 110.87 2dmk n GLY 7 Ca 0.10 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.58 3.33 0.00 1.61 2.56 -1.26 -4.97 118.70 119.40 2dmk s GLU 8 Ca 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 54.97 54.74 2dmk s GLU 8 Cb 0.24 -4.62 0.00 0.00 2.00 0.00 0.00 34.13 31.74 2dmk s GLU 8 CO -0.14 -2.18 0.00 0.41 -0.56 0.00 0.00 175.26 172.79 2dmk n GLY 9 N 5.95 -2.65 3.55 -1.50 0.00 -1.26 -4.84 105.19 104.45 2dmk n GLY 9 Ca 0.14 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2dmk n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmk s LEU 10 N 0.00 3.77 -0.18 0.99 1.02 -1.26 -4.97 118.68 118.04 2dmk s LEU 10 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.11 2dmk s LEU 10 Cb 0.00 -2.01 0.20 0.00 0.02 0.00 0.00 46.19 44.40 2dmk s LEU 10 CO 0.00 0.02 1.58 -0.67 0.02 0.00 0.00 176.35 177.29 2dmk n ASP 11 N 4.59 4.34 -4.05 2.29 2.03 -1.26 -4.97 116.55 119.53 2dmk n ASP 11 Ca -0.15 -2.68 -0.36 0.00 0.52 0.00 0.00 54.79 52.11 2dmk n ASP 11 Cb 0.52 -0.79 0.05 0.00 -0.72 0.00 0.00 41.12 40.18 2dmk n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmk n TYR 12 N 0.20 -4.41 -0.12 -0.67 9.36 -1.26 -4.95 117.16 115.31 2dmk n TYR 12 Ca 0.21 0.06 -0.23 0.00 3.32 0.00 0.00 57.90 61.26 2dmk n TYR 12 Cb 0.78 -1.47 -0.11 0.00 -0.63 0.00 0.00 39.34 37.91 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 2.90 2.44 -0.19 2.98 0.00 -1.26 -4.41 117.00 119.46 2dmk n LEU 13 Ca -0.01 0.14 0.18 0.00 0.00 0.00 0.00 56.01 56.32 2dmk n LEU 13 Cb 0.58 -0.91 0.32 0.00 0.00 0.00 0.00 43.42 43.41 2dmk n LEU 13 CO 0.52 0.72 0.57 1.07 0.00 0.00 0.00 177.39 180.28 2dmk n THR 14 N -3.78 -0.19 -3.80 1.96 5.66 -1.26 -3.95 114.28 108.92 2dmk n THR 14 Ca -0.46 1.01 -0.14 0.00 -3.05 0.00 0.00 64.05 61.41 2dmk n THR 14 Cb 0.93 -1.64 -0.15 0.00 -1.55 0.00 0.00 70.33 67.91 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 -4.67 -0.03 0.16 1.79 0.00 -1.26 -3.57 121.76 114.18 2dmk s ALA 15 Ca -0.04 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2dmk s ALA 15 Cb 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 2dmk s ALA 15 CO 0.41 -0.09 1.33 -1.25 0.00 0.00 0.00 175.76 176.16 2dmk s PRO 16 N 0.74 4.37 0.33 0.00 0.04 -1.25 -4.71 135.00 134.52 2dmk s PRO 16 Ca -0.06 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 16 Cb -0.09 -3.22 -0.13 0.00 0.04 0.00 0.00 34.50 31.11 2dmk s PRO 16 CO -0.02 -0.31 1.07 -1.71 0.04 0.00 0.00 177.00 176.07 2dmk n ASN 17 N 3.11 1.61 -4.69 6.66 2.85 -1.26 -4.30 115.26 119.24 2dmk n ASN 17 Ca 0.08 1.15 -0.42 0.00 -0.11 0.00 0.00 54.58 55.28 2dmk n ASN 17 Cb 0.43 -1.35 -0.03 0.00 1.24 0.00 0.00 39.78 40.07 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2dmk s PRO 18 N -1.73 4.26 0.35 1.20 0.04 -1.26 -4.78 135.00 133.09 2dmk s PRO 18 Ca 0.59 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.37 2dmk s PRO 18 Cb -0.64 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.21 2dmk s PRO 18 CO 0.60 -0.61 1.21 -1.25 0.04 0.00 0.00 177.00 176.99 2dmk s PRO 19 N 2.52 4.28 -0.41 0.56 0.04 -1.26 -4.95 135.00 135.78 2dmk s PRO 19 Ca 0.65 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2dmk s PRO 19 Cb -0.32 -2.93 0.05 0.00 0.04 0.00 0.00 34.50 31.33 2dmk s PRO 19 CO 0.27 -0.17 0.27 -1.12 0.04 0.00 0.00 177.00 176.29 2dmk s SER 20 N -0.82 5.82 -0.37 6.66 0.01 -0.21 -4.67 113.70 120.12 2dmk s SER 20 Ca 0.51 -1.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 2dmk s SER 20 Cb -0.35 -2.06 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 2dmk s SER 20 CO 0.45 -0.50 1.60 -0.63 0.41 0.00 0.00 173.24 174.57 2dmk s ILE 21 N 1.54 3.69 -0.60 1.44 1.01 -1.26 -0.22 121.20 126.80 2dmk s ILE 21 Ca 0.03 0.71 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 2dmk s ILE 21 Cb -0.21 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2dmk s ILE 21 CO 0.05 -0.59 1.40 -0.13 0.00 0.00 0.00 174.94 175.68 2dmk s ARG 22 N 5.27 3.25 0.19 2.79 1.81 0.26 -4.86 118.95 127.67 2dmk s ARG 22 Ca 0.70 0.32 -0.04 0.00 -1.72 0.00 0.00 55.73 54.99 2dmk s ARG 22 Cb -0.18 -4.14 0.12 0.00 -0.45 0.00 0.00 34.95 30.30 2dmk s ARG 22 CO 0.33 -2.01 1.53 0.93 -0.68 0.00 0.00 175.30 175.39 2dmk h GLU 23 N 11.02 0.62 -0.48 3.54 5.08 -1.92 -1.33 114.58 131.11 2dmk h GLU 23 Ca -0.27 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.72 2dmk h GLU 23 Cb 1.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2dmk h GLU 23 CO 1.20 0.96 0.24 1.05 -1.00 0.00 0.00 179.01 181.47 2dmk h GLU 24 N 0.49 0.66 0.00 2.33 4.11 -1.96 -2.04 114.58 118.17 2dmk h GLU 24 Ca 0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 2dmk h GLU 24 Cb 1.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2dmk h GLU 24 CO 0.10 0.51 -0.82 -0.07 0.07 0.00 0.00 179.01 178.79 2dmk h LEU 25 N 0.67 0.00-10.10 3.06 3.38 -1.89 -3.47 115.31 106.96 2dmk h LEU 25 Ca 0.17 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.61 2dmk h LEU 25 Cb 0.05 0.00 0.19 0.00 0.09 0.00 0.00 40.66 40.99 2dmk h LEU 25 CO -0.03 0.29 0.10 0.00 0.09 0.00 0.00 178.44 178.90 2dmk s THR 27 N -2.26 0.02 -0.07 0.00 -4.23 -0.49 -5.00 115.64 103.61 2dmk s THR 27 Ca 0.69 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 2dmk s THR 27 Cb -0.27 -0.10 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 2dmk s THR 27 CO 0.56 -0.09 -0.19 0.00 -0.54 0.00 0.00 174.62 174.35 2dmk s ALA 28 N -0.26 2.41 0.16 3.99 0.00 -1.26 -1.32 121.76 125.48 2dmk s ALA 28 Ca -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2dmk s ALA 28 Cb -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 2dmk s ALA 28 CO -0.00 0.43 -0.08 0.45 0.00 0.00 0.00 175.76 176.56 2dmk s SER 29 N -0.25 1.75 0.00 0.00 0.15 0.42 -4.45 113.70 111.32 2dmk s SER 29 Ca 0.00 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2dmk s SER 29 Cb -0.13 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2dmk s SER 29 CO 0.03 -0.38 0.75 0.00 1.20 0.00 0.00 173.24 174.83 2dmk n HIS 30 N -0.24 0.00 -1.51 3.44 1.44 -1.26 -2.51 115.22 114.58 2dmk n HIS 30 Ca -0.09 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.67 2dmk n HIS 30 Cb 0.61 -0.36 0.20 0.00 0.12 0.00 0.00 29.99 30.57 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2dmk n ASP 31 N -2.61 1.92 -3.81 4.39 5.68 -1.26 -2.56 116.55 118.29 2dmk n ASP 31 Ca 0.00 -3.79 -0.12 0.00 -0.50 0.00 0.00 54.79 50.38 2dmk n ASP 31 Cb 0.00 -0.54 -0.09 0.00 -1.14 0.00 0.00 41.12 39.35 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2dmk s THR 32 N -3.20 0.06 -0.16 2.12 2.01 -1.04 -0.52 115.64 114.92 2dmk s THR 32 Ca 0.38 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2dmk s THR 32 Cb 0.37 -0.50 0.05 0.00 0.01 0.00 0.00 72.50 72.42 2dmk s THR 32 CO -0.05 -0.29 0.39 -0.63 -0.69 0.00 0.00 174.62 173.35 2dmk s ILE 33 N -1.22 -0.02 -0.20 1.82 1.01 -0.68 0.16 121.20 122.08 2dmk s ILE 33 Ca -0.13 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2dmk s ILE 33 Cb -0.06 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2dmk s ILE 33 CO 0.03 0.02 -0.11 -0.89 0.00 0.00 0.00 174.94 173.99 2dmk s THR 34 N 0.91 2.81 -0.25 2.92 2.01 -0.44 -0.08 115.64 123.52 2dmk s THR 34 Ca -0.06 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2dmk s THR 34 Cb -0.06 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2dmk s THR 34 CO -0.07 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 2dmk s VAL 35 N 1.35 4.47 -0.24 3.82 1.01 -1.25 -1.40 120.40 128.16 2dmk s VAL 35 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 2dmk s VAL 35 Cb -0.14 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2dmk s VAL 35 CO -0.07 0.33 0.15 -1.00 0.00 0.00 0.00 175.10 174.51 2dmk s HIS 36 N 1.58 3.27 0.00 5.22 3.76 -1.26 -3.54 115.29 124.33 2dmk s HIS 36 Ca 0.06 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.19 2dmk s HIS 36 Cb -0.15 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 2dmk s HIS 36 CO 0.05 0.00 -0.23 1.67 -0.85 0.00 0.00 174.74 175.38 2dmk s TRP 37 N 1.17 2.42 -0.03 1.40 -2.14 -1.11 0.92 118.94 121.58 2dmk s TRP 37 Ca 0.07 -0.36 0.04 0.00 2.66 0.00 0.00 56.10 58.51 2dmk s TRP 37 Cb -0.14 -1.48 -0.03 0.00 -3.10 0.00 0.00 33.47 28.72 2dmk s TRP 37 CO 0.05 0.09 -0.13 -1.50 -2.66 0.00 0.00 176.95 172.81 2dmk s ILE 38 N -0.73 3.21 0.05 0.66 1.10 0.69 -4.85 121.20 121.32 2dmk s ILE 38 Ca 0.11 -0.76 0.00 0.00 -0.51 0.00 0.00 60.65 59.50 2dmk s ILE 38 Cb -0.10 -2.30 -0.03 0.00 0.15 0.00 0.00 42.46 40.18 2dmk s ILE 38 CO 0.01 0.53 -0.04 -0.55 -2.11 0.00 0.00 174.94 172.78 2dmk s SER 39 N -0.94 0.55 -0.07 4.50 0.15 -1.26 -1.05 113.70 115.58 2dmk s SER 39 Ca 0.13 -0.76 0.09 0.00 0.70 0.00 0.00 55.95 56.10 2dmk s SER 39 Cb -0.11 0.13 -0.24 0.00 -1.71 0.00 0.00 66.02 64.09 2dmk s SER 39 CO 0.02 -0.42 0.56 -0.67 1.20 0.00 0.00 173.24 173.93 2dmk n ASP 40 N 0.79 1.12 -3.68 5.45 -0.08 -1.26 -4.76 116.55 114.13 2dmk n ASP 40 Ca -0.18 0.34 -0.30 0.00 -1.51 0.00 0.00 54.79 53.14 2dmk n ASP 40 Cb 0.58 -0.19 -0.15 0.00 2.34 0.00 0.00 41.12 43.70 2dmk n ASP 40 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2dmk s ASP 41 N -6.27 3.87 0.00 1.67 1.01 -1.26 -4.93 116.67 110.76 2dmk s ASP 41 Ca -0.09 -1.65 0.09 0.00 0.71 0.00 0.00 52.55 51.61 2dmk s ASP 41 Cb 0.08 -0.76 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 2dmk s ASP 41 CO 0.81 -0.41 0.57 -1.84 0.21 0.00 0.00 175.17 174.51 2dmk n GLU 42 N 4.82 2.47 0.21 8.23 0.28 -1.26 -4.43 120.64 130.95 2dmk n GLU 42 Ca -0.02 -0.48 0.08 0.00 -0.16 0.00 0.00 57.16 56.59 2dmk n GLU 42 Cb 0.41 -1.04 0.39 0.00 1.43 0.00 0.00 31.44 32.64 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 0.86 0.00 0.08 -1.84 -1.00 -2.00 -3.24 116.94 109.80 2dmk h PHE 43 Ca 0.00 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 2dmk h PHE 43 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2dmk h PHE 43 CO 0.00 0.29 -1.56 0.77 -1.61 0.00 0.00 178.31 176.20 2dmk h SER 44 N 0.00 0.28 -1.53 2.17 0.02 -2.00 -3.46 113.55 109.02 2dmk h SER 44 Ca -0.00 -0.79 -0.71 0.00 -0.84 0.00 0.00 61.79 59.45 2dmk h SER 44 Cb 0.83 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.29 2dmk h SER 44 CO 0.04 1.66 1.00 -0.38 -1.14 0.00 0.00 176.83 178.02 2dmk n ILE 45 N -3.93 0.33 -0.24 3.27 5.41 -1.23 -4.76 119.36 118.23 2dmk n ILE 45 Ca -0.29 -0.08 -0.07 0.00 1.00 0.00 0.00 62.75 63.30 2dmk n ILE 45 Cb 0.88 -1.36 0.04 0.00 -0.71 0.00 0.00 39.64 38.50 2dmk n ILE 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dmk h SER 46 N 8.16 0.90 -4.71 4.38 0.02 -1.62 -3.47 113.55 117.22 2dmk h SER 46 Ca -0.44 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 60.44 2dmk h SER 46 Cb 1.31 -0.23 -0.15 0.00 0.14 0.00 0.00 62.40 63.47 2dmk h SER 46 CO 0.97 0.81 0.44 -0.94 -1.14 0.00 0.00 176.83 176.97 2dmk s SER 47 N -6.15 -0.40 0.18 3.07 1.04 -1.18 -5.06 113.70 105.19 2dmk s SER 47 Ca -0.13 0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.36 2dmk s SER 47 Cb 0.14 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2dmk s SER 47 CO 0.81 -0.68 0.17 -0.31 0.98 0.00 0.00 173.24 174.20 2dmk s TYR 48 N -3.22 3.20 -0.07 5.02 2.02 -1.14 -2.52 117.35 120.64 2dmk s TYR 48 Ca 0.04 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 2dmk s TYR 48 Cb -0.01 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2dmk s TYR 48 CO -0.10 0.52 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.34 2dmk s GLU 49 N -3.24 1.15 0.18 -0.62 2.56 -0.91 -3.83 118.70 113.99 2dmk s GLU 49 Ca 0.32 -0.17 -0.08 0.00 0.00 0.00 0.00 54.97 55.04 2dmk s GLU 49 Cb -0.10 -1.17 -0.07 0.00 2.00 0.00 0.00 34.13 34.80 2dmk s GLU 49 CO 0.24 -0.15 0.48 -1.17 -0.56 0.00 0.00 175.26 174.11 2dmk s LEU 50 N 1.25 4.23 -0.17 2.70 2.96 -1.25 -1.26 118.68 127.14 2dmk s LEU 50 Ca -0.05 0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2dmk s LEU 50 Cb -0.14 -3.47 0.08 0.00 0.50 0.00 0.00 46.19 43.17 2dmk s LEU 50 CO -0.02 0.00 0.23 -1.10 -1.32 0.00 0.00 176.35 174.14 2dmk s GLN 51 N -2.62 0.17 0.16 1.98 -0.21 -0.94 -3.21 119.66 114.98 2dmk s GLN 51 Ca 0.43 0.42 0.00 0.00 0.02 0.00 0.00 55.36 56.23 2dmk s GLN 51 Cb -0.12 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 2dmk s GLN 51 CO 0.22 -0.51 0.04 1.52 -2.12 0.00 0.00 175.29 174.44 2dmk s TYR 52 N 2.36 1.06 -0.19 0.91 1.13 -1.00 0.12 117.35 121.74 2dmk s TYR 52 Ca 0.05 -1.15 -0.29 0.00 -1.41 0.00 0.00 57.07 54.28 2dmk s TYR 52 Cb -0.14 -0.60 0.12 0.00 -1.10 0.00 0.00 41.96 40.24 2dmk s TYR 52 CO -0.10 -0.38 1.00 -0.08 -2.51 0.00 0.00 175.55 173.47 2dmk s THR 53 N -3.87 0.00 -0.24 -3.49 -1.32 -1.12 -1.29 115.64 104.31 2dmk s THR 53 Ca 0.25 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.44 2dmk s THR 53 Cb 0.07 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2dmk s THR 53 CO 0.04 0.00 1.53 -0.63 -2.21 0.00 0.00 174.62 173.35 2dmk s ILE 54 N -0.75 3.81 -0.41 5.08 1.01 -1.26 -2.43 121.20 126.25 2dmk s ILE 54 Ca -0.01 0.91 -0.21 0.00 0.00 0.00 0.00 60.65 61.35 2dmk s ILE 54 Cb -0.02 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.65 2dmk s ILE 54 CO -0.00 -0.34 0.66 0.12 0.00 0.00 0.00 174.94 175.38 2dmk s PHE 55 N 4.99 3.08 0.39 3.97 2.19 -1.22 -5.00 117.98 126.37 2dmk s PHE 55 Ca 0.67 0.12 0.05 0.00 0.33 0.00 0.00 56.93 58.10 2dmk s PHE 55 Cb -0.23 -3.33 -0.06 0.00 -1.31 0.00 0.00 43.02 38.09 2dmk s PHE 55 CO 0.28 -0.81 0.04 0.95 1.83 0.00 0.00 175.22 177.51 2dmk s THR 56 N 2.86 1.48 -0.47 0.12 -4.23 -1.26 -4.40 115.64 109.74 2dmk s THR 56 Ca 0.24 -2.00 -0.45 0.00 -1.18 0.00 0.00 61.69 58.31 2dmk s THR 56 Cb -0.14 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 70.74 2dmk s THR 56 CO 0.18 0.00 1.86 0.61 -0.54 0.00 0.00 174.62 176.73 2dmk n GLY 57 N -0.89 0.13 3.06 3.99 0.00 -1.26 -4.92 105.19 105.29 2dmk n GLY 57 Ca -0.06 1.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.89 2dmk n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dmk s GLN 58 N 4.40 0.35 0.08 1.61 -2.07 -1.26 -5.07 119.66 117.70 2dmk s GLN 58 Ca 1.11 -0.24 -0.36 0.00 -1.82 0.00 0.00 55.36 54.05 2dmk s GLN 58 Cb -1.43 0.15 -0.18 0.00 -1.09 0.00 0.00 33.01 30.46 2dmk s GLN 58 CO 0.73 -0.07 1.56 0.00 -1.32 0.00 0.00 175.29 176.18 2dmk h ALA 59 N 4.87 -1.20 -3.53 2.60 0.00 -2.04 -3.44 119.26 116.52 2dmk h ALA 59 Ca -0.29 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 2dmk h ALA 59 Cb 1.20 0.69 -0.24 0.00 0.00 0.00 0.00 17.79 19.44 2dmk h ALA 59 CO 0.41 -1.21 -0.76 -0.80 0.00 0.00 0.00 179.25 176.90 2dmk s ASN 60 N -4.26 1.03 0.50 0.00 -0.87 -1.26 -5.03 114.94 105.05 2dmk s ASN 60 Ca -0.18 -0.40 0.23 0.00 -1.57 0.00 0.00 52.86 50.94 2dmk s ASN 60 Cb 0.04 -0.03 1.34 0.00 -0.02 0.00 0.00 41.25 42.58 2dmk s ASN 60 CO 0.60 -0.06 2.07 0.15 -2.57 0.00 0.00 177.10 177.28 2dmk h PHE 61 N 5.03 0.00 -0.04 2.20 3.57 -2.01 -2.83 116.94 122.86 2dmk h PHE 61 Ca -0.34 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 2dmk h PHE 61 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2dmk h PHE 61 CO 0.55 0.13 0.01 0.82 -2.23 0.00 0.00 178.31 177.59 2dmk h ILE 62 N 0.00 1.20 -0.80 1.41 1.08 -1.95 -0.13 117.51 118.32 2dmk h ILE 62 Ca -0.00 -0.60 0.19 0.00 -0.39 0.00 0.00 64.86 64.06 2dmk h ILE 62 Cb 0.29 1.53 -0.14 0.00 -3.07 0.00 0.00 36.82 35.42 2dmk h ILE 62 CO 0.02 0.16 -0.00 -1.28 -0.69 0.00 0.00 178.15 176.36 2dmk h SER 63 N -0.17 -0.39 -0.04 1.72 0.87 -1.93 1.79 113.55 115.40 2dmk h SER 63 Ca 0.01 0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2dmk h SER 63 Cb 0.25 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2dmk h SER 63 CO 0.00 -0.21 -0.24 0.25 -0.53 0.00 0.00 176.83 176.10 2dmk h LEU 64 N 0.09 0.29 -0.71 2.23 5.85 -1.61 -3.10 115.31 118.34 2dmk h LEU 64 Ca 0.44 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2dmk h LEU 64 Cb 0.79 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2dmk h LEU 64 CO -0.72 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 2dmk n TYR 65 N -4.51 0.63 0.18 1.25 9.36 -0.07 -2.13 117.16 121.87 2dmk n TYR 65 Ca -0.09 0.27 0.02 0.00 3.32 0.00 0.00 57.90 61.42 2dmk n TYR 65 Cb 0.47 -0.93 0.32 0.00 -0.63 0.00 0.00 39.34 38.57 2dmk n TYR 65 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2dmk h ASN 66 N 0.00 0.00 -1.82 2.98 2.35 0.28 -3.18 115.58 116.19 2dmk h ASN 66 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 2dmk h ASN 66 Cb 0.25 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.24 2dmk h ASN 66 CO 0.00 0.42 -0.20 -0.24 -1.65 0.00 0.00 177.43 175.77 2dmk n SER 67 N -4.02 5.48 -0.03 5.81 2.88 -0.90 -4.83 113.62 118.01 2dmk n SER 67 Ca -0.02 -3.74 0.24 0.00 -1.33 0.00 0.00 58.87 54.02 2dmk n SER 67 Cb 0.45 -0.66 0.61 0.00 -0.75 0.00 0.00 64.21 63.86 2dmk n SER 67 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2dmk h VAL 68 N 2.50 0.19 0.00 2.46 2.07 -1.68 0.27 116.25 122.06 2dmk h VAL 68 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 2dmk h VAL 68 Cb 0.61 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2dmk h VAL 68 CO 1.00 0.00 0.28 0.44 0.02 0.00 0.00 177.57 179.30 2dmk h ASP 69 N 0.00 0.00 0.85 0.57 3.32 -1.91 0.62 116.42 119.86 2dmk h ASP 69 Ca 0.32 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 2dmk h ASP 69 Cb 1.88 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.40 2dmk h ASP 69 CO -0.00 0.00 -1.24 -1.28 -1.72 0.00 0.00 179.24 174.99 2dmk h SER 70 N 0.00 0.00 -3.55 6.45 0.87 -0.83 -3.47 113.55 113.02 2dmk h SER 70 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2dmk h SER 70 Cb 0.55 0.00 0.21 0.00 -0.44 0.00 0.00 62.40 62.72 2dmk h SER 70 CO 0.00 0.80 -0.44 0.79 -0.53 0.00 0.00 176.83 177.45 2dmk n TRP 71 N -3.11 -1.05 -3.77 2.24 7.02 0.22 -4.98 117.44 114.01 2dmk n TRP 71 Ca -0.07 0.26 -0.36 0.00 -1.02 0.00 0.00 57.50 56.31 2dmk n TRP 71 Cb 0.91 -1.82 -0.07 0.00 -2.42 0.00 0.00 31.31 27.91 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 -3.78 3.78 0.04 -0.99 -1.94 -0.41 -4.96 119.30 111.03 2dmk s MET 72 Ca 0.59 -0.09 0.07 0.00 -1.71 0.00 0.00 55.69 54.56 2dmk s MET 72 Cb -0.22 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 2dmk s MET 72 CO 0.66 0.58 -0.22 0.42 -0.01 0.00 0.00 175.02 176.45 2dmk s ILE 73 N -0.49 1.74 -0.37 2.53 1.09 -1.26 -2.37 121.20 122.07 2dmk s ILE 73 Ca 0.14 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.50 2dmk s ILE 73 Cb -0.12 -1.50 0.12 0.00 -1.06 0.00 0.00 42.46 39.90 2dmk s ILE 73 CO 0.03 0.26 0.18 -0.69 -0.10 0.00 0.00 174.94 174.62 2dmk s VAL 74 N -0.77 0.92 1.25 2.92 1.01 -1.20 -4.99 120.40 119.55 2dmk s VAL 74 Ca 0.08 -1.94 -0.21 0.00 0.00 0.00 0.00 61.98 59.92 2dmk s VAL 74 Cb -0.09 -1.66 0.31 0.00 0.00 0.00 0.00 36.38 34.94 2dmk s VAL 74 CO 0.02 -0.84 1.12 -2.16 0.00 0.00 0.00 175.10 173.23 2dmk s PRO 75 N 0.98 -1.61 -1.01 2.72 0.04 -1.26 -3.92 135.00 130.93 2dmk s PRO 75 Ca 0.15 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 60.95 2dmk s PRO 75 Cb -0.22 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2dmk s PRO 75 CO -0.09 -3.94 0.86 0.09 0.04 0.00 0.00 177.00 173.96 2dmk n ASN 76 N -4.89 -3.10 -4.21 6.66 3.02 -1.26 -4.99 115.26 106.48 2dmk n ASN 76 Ca 0.15 -0.48 -0.40 0.00 -0.03 0.00 0.00 54.58 53.82 2dmk n ASN 76 Cb 0.60 -4.24 -0.09 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.28 4.10 -0.49 2.41 1.01 -1.25 -4.94 121.20 118.76 2dmk s ILE 77 Ca 0.14 -1.72 0.03 0.00 0.00 0.00 0.00 60.65 59.11 2dmk s ILE 77 Cb -0.06 -3.66 0.44 0.00 0.01 0.00 0.00 42.46 39.19 2dmk s ILE 77 CO 0.59 -0.69 1.54 0.29 0.00 0.00 0.00 174.94 176.67 2dmk n LYS 78 N 4.87 3.20 -4.20 2.79 4.76 -1.26 -2.86 118.16 125.46 2dmk n LYS 78 Ca -0.08 -3.86 -0.12 0.00 -2.87 0.00 0.00 58.31 51.39 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 -3.71 1.21 -0.11 1.97 -2.07 -1.26 -5.04 119.66 110.64 2dmk s GLN 79 Ca 0.55 -1.64 0.16 0.00 -1.82 0.00 0.00 55.36 52.62 2dmk s GLN 79 Cb 0.45 0.27 0.65 0.00 -1.09 0.00 0.00 33.01 33.28 2dmk s GLN 79 CO -0.05 -0.39 1.53 0.09 -1.32 0.00 0.00 175.29 175.15 2dmk n ASN 80 N -0.29 4.35 -3.37 12.60 4.13 -1.26 -4.84 115.26 126.60 2dmk n ASN 80 Ca 0.02 -2.44 0.02 0.00 1.68 0.00 0.00 54.58 53.86 2dmk n ASN 80 Cb 0.66 -0.56 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 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 -1.89 -0.51 -0.27 3.10 -3.43 -1.26 -2.73 115.29 108.30 2dmk s HIS 81 Ca 0.45 0.89 -0.04 0.00 -0.80 0.00 0.00 55.06 55.57 2dmk s HIS 81 Cb 0.30 0.30 0.02 0.00 -1.43 0.00 0.00 32.58 31.77 2dmk s HIS 81 CO 0.21 -0.25 -0.00 -0.47 -2.00 0.00 0.00 174.74 172.23 2dmk s TYR 82 N 2.26 3.10 -0.40 0.38 6.14 -1.23 -4.96 117.35 122.64 2dmk s TYR 82 Ca -0.02 -1.32 -0.29 0.00 0.64 0.00 0.00 57.07 56.08 2dmk s TYR 82 Cb -0.04 -2.14 0.02 0.00 0.42 0.00 0.00 41.96 40.21 2dmk s TYR 82 CO -0.17 -0.67 1.18 0.99 0.64 0.00 0.00 175.55 177.53 2dmk s THR 83 N 1.40 4.24 -0.41 4.34 2.01 -1.26 -3.76 115.64 122.19 2dmk s THR 83 Ca 0.01 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.10 2dmk s THR 83 Cb -0.17 -4.43 0.02 0.00 0.01 0.00 0.00 72.50 67.93 2dmk s THR 83 CO -0.02 -0.75 0.88 -0.69 -0.69 0.00 0.00 174.62 173.35 2dmk s VAL 84 N 4.36 4.59 -0.06 3.82 1.01 0.89 -4.91 120.40 130.09 2dmk s VAL 84 Ca 0.50 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 2dmk s VAL 84 Cb -0.11 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2dmk s VAL 84 CO 0.26 -0.63 0.15 -1.00 0.00 0.00 0.00 175.10 173.87 2dmk s HIS 85 N 3.47 3.52 0.00 5.22 3.76 -1.26 -1.69 115.29 128.31 2dmk s HIS 85 Ca 0.35 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 2dmk s HIS 85 Cb -0.12 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2dmk s HIS 85 CO 0.21 0.67 0.00 0.41 -0.85 0.00 0.00 174.74 175.18 2dmk n GLY 86 N 1.45 0.95 3.97 -2.22 0.00 -0.06 -5.00 105.19 104.28 2dmk n GLY 86 Ca -0.15 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.20 3.46 -0.02 0.99 1.43 0.32 -5.01 118.68 119.65 2dmk s LEU 87 Ca 0.00 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.33 2dmk s LEU 87 Cb 0.00 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2dmk s LEU 87 CO 0.00 -0.82 0.44 -1.10 0.23 0.00 0.00 176.35 175.09 2dmk s GLN 88 N -4.33 4.05 0.48 1.70 -1.52 -1.26 -4.22 119.66 114.57 2dmk s GLN 88 Ca 0.53 0.44 -0.22 0.00 -1.95 0.00 0.00 55.36 54.17 2dmk s GLN 88 Cb -0.07 -3.28 -0.07 0.00 -0.22 0.00 0.00 33.01 29.37 2dmk s GLN 88 CO 0.32 0.55 1.13 -1.54 -0.25 0.00 0.00 175.29 175.50 2dmk s SER 89 N -0.66 6.13 -1.27 5.90 1.04 -1.06 -3.74 113.70 120.05 2dmk s SER 89 Ca 0.24 2.19 -0.18 0.00 0.48 0.00 0.00 55.95 58.68 2dmk s SER 89 Cb -0.17 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2dmk s SER 89 CO 0.13 -0.94 0.59 0.61 0.98 0.00 0.00 173.24 174.61 2dmk n GLY 90 N 0.27 -0.68 3.15 7.32 0.00 -1.12 -4.97 105.19 109.16 2dmk n GLY 90 Ca 0.09 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.70 0.08 0.50 2.61 2.01 -1.25 -4.97 115.64 110.93 2dmk s THR 91 Ca 0.32 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 2dmk s THR 91 Cb -0.14 -0.58 -0.08 0.00 0.01 0.00 0.00 72.50 71.71 2dmk s THR 91 CO 0.92 -0.38 1.06 -0.13 -0.69 0.00 0.00 174.62 175.39 2dmk s ARG 92 N -1.63 3.69 -0.22 4.92 0.52 -1.26 -2.93 118.95 122.05 2dmk s ARG 92 Ca -0.12 1.42 -0.07 0.00 -0.52 0.00 0.00 55.73 56.43 2dmk s ARG 92 Cb -0.06 -2.07 0.10 0.00 0.52 0.00 0.00 34.95 33.44 2dmk s ARG 92 CO 0.01 -0.53 0.46 0.71 0.02 0.00 0.00 175.30 175.97 2dmk s TYR 93 N -1.94 -0.91 0.25 -0.53 2.02 0.12 -3.43 117.35 112.94 2dmk s TYR 93 Ca 0.68 1.67 -0.02 0.00 -0.37 0.00 0.00 57.07 59.03 2dmk s TYR 93 Cb -0.18 0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.73 2dmk s TYR 93 CO 0.22 -0.53 0.47 0.42 -1.57 0.00 0.00 175.55 174.56 2dmk s ILE 94 N 2.67 5.12 -0.01 2.71 1.01 -1.02 -1.04 121.20 130.65 2dmk s ILE 94 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2dmk s ILE 94 Cb -0.12 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 2dmk s ILE 94 CO -0.14 -0.28 0.03 -0.36 0.00 0.00 0.00 174.94 174.19 2dmk s PHE 95 N -2.01 0.04 -0.25 3.97 0.08 -0.88 -2.77 117.98 116.17 2dmk s PHE 95 Ca 0.41 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 2dmk s PHE 95 Cb -0.11 -0.04 0.12 0.00 -0.57 0.00 0.00 43.02 42.42 2dmk s PHE 95 CO 0.30 -0.09 0.28 0.42 -0.10 0.00 0.00 175.22 176.03 2dmk s ILE 96 N -0.48 -0.40 -0.03 0.64 1.01 0.32 -0.92 121.20 121.34 2dmk s ILE 96 Ca -0.05 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 2dmk s ILE 96 Cb -0.03 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2dmk s ILE 96 CO -0.00 -0.30 0.80 -0.69 0.00 0.00 0.00 174.94 174.75 2dmk s VAL 97 N 2.37 4.96 -0.21 2.92 1.01 -1.26 -2.22 120.40 127.98 2dmk s VAL 97 Ca 0.09 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.75 2dmk s VAL 97 Cb -0.15 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2dmk s VAL 97 CO -0.21 0.23 -0.12 -0.75 0.00 0.00 0.00 175.10 174.25 2dmk s LYS 98 N 0.79 2.18 0.02 2.72 2.20 -0.39 -2.17 119.74 125.10 2dmk s LYS 98 Ca 0.42 -0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 2dmk s LYS 98 Cb -0.19 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 2dmk s LYS 98 CO 0.22 -0.43 0.94 0.00 -0.36 0.00 0.00 175.35 175.72 2dmk s ALA 99 N 1.33 3.21 0.06 3.13 0.00 -0.56 -2.14 121.76 126.79 2dmk s ALA 99 Ca -0.02 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.53 2dmk s ALA 99 Cb -0.16 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2dmk s ALA 99 CO -0.08 -0.16 -0.25 0.42 0.00 0.00 0.00 175.76 175.69 2dmk s ILE 100 N 0.70 2.05 0.22 0.00 1.09 -1.05 -0.54 121.20 123.66 2dmk s ILE 100 Ca 0.49 -1.40 -0.03 0.00 -1.10 0.00 0.00 60.65 58.61 2dmk s ILE 100 Cb -0.21 -1.77 0.01 0.00 -1.06 0.00 0.00 42.46 39.43 2dmk s ILE 100 CO 0.27 0.29 0.33 -0.46 -0.10 0.00 0.00 174.94 175.27 2dmk n ASN 101 N 1.67 -0.94 -0.01 3.58 6.94 0.75 -1.60 115.26 125.66 2dmk n ASN 101 Ca -0.17 -2.09 0.07 0.00 -0.02 0.00 0.00 54.58 52.37 2dmk n ASN 101 Cb 0.52 1.69 0.47 0.00 -2.36 0.00 0.00 39.78 40.10 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 0.44 0.34 -3.83 -0.00 -1.94 -2.94 115.11 107.18 2dmk h GLN 102 Ca -0.17 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 2dmk h GLN 102 Cb 0.72 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.10 2dmk h GLN 102 CO 0.23 0.29 -0.16 0.00 -0.00 0.00 0.00 178.83 179.19 2dmk h ALA 103 N 1.75 -0.45 -3.00 0.06 0.00 -1.82 -3.50 119.26 112.29 2dmk h ALA 103 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dmk h ALA 103 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dmk h ALA 103 CO -0.04 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.14 2dmk n GLY 104 N 0.26 1.14 3.36 0.00 0.00 -1.11 -4.89 105.19 103.96 2dmk n GLY 104 Ca -0.08 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 -0.04 1.61 1.04 -1.26 -0.17 113.70 116.50 2dmk s SER 105 Ca 0.00 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2dmk s SER 105 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2dmk s SER 105 CO 0.00 -0.67 0.05 -0.60 0.98 0.00 0.00 173.24 172.99 2dmk s ARG 106 N -2.31 0.04 -0.07 4.02 6.06 0.29 -4.69 118.95 122.30 2dmk s ARG 106 Ca -0.06 0.31 -0.13 0.00 -2.50 0.00 0.00 55.73 53.34 2dmk s ARG 106 Cb -0.01 -0.56 -0.05 0.00 0.06 0.00 0.00 34.95 34.39 2dmk s ARG 106 CO -0.01 -0.30 0.33 0.54 -2.50 0.00 0.00 175.30 173.36 2dmk s ASN 107 N 1.99 6.63 0.70 -2.12 4.22 -1.26 -1.50 114.94 123.61 2dmk s ASN 107 Ca 0.03 0.75 -0.01 0.00 -2.14 0.00 0.00 52.86 51.49 2dmk s ASN 107 Cb -0.12 -2.20 0.11 0.00 1.28 0.00 0.00 41.25 40.32 2dmk s ASN 107 CO -0.03 0.27 0.97 -0.55 -2.04 0.00 0.00 177.10 175.71 2dmk s SER 108 N -0.58 4.48 0.56 3.54 0.15 -0.92 -4.93 113.70 115.98 2dmk s SER 108 Ca 0.20 -0.30 -0.19 0.00 0.70 0.00 0.00 55.95 56.37 2dmk s SER 108 Cb -0.15 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 2dmk s SER 108 CO 0.09 -1.76 1.11 -1.61 1.20 0.00 0.00 173.24 172.27 2dmk s GLU 109 N -5.09 3.33 0.08 5.44 2.02 -1.26 -4.76 118.70 118.46 2dmk s GLU 109 Ca 0.65 1.51 -0.31 0.00 0.02 0.00 0.00 54.97 56.84 2dmk s GLU 109 Cb -0.06 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 32.09 2dmk s GLU 109 CO 0.44 -0.84 1.38 -1.25 0.02 0.00 0.00 175.26 175.00 2dmk s PRO 110 N -3.45 4.32 -0.34 0.39 0.04 -1.26 -4.74 135.00 129.95 2dmk s PRO 110 Ca 0.70 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.69 2dmk s PRO 110 Cb -0.22 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.01 2dmk s PRO 110 CO 0.29 -0.46 0.13 0.99 0.04 0.00 0.00 177.00 177.99 2dmk s THR 111 N 1.43 4.09 0.18 1.26 2.01 -0.10 -4.93 115.64 119.58 2dmk s THR 111 Ca 0.64 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2dmk s THR 111 Cb -0.35 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 2dmk s THR 111 CO 0.29 -0.13 1.20 -0.13 -0.69 0.00 0.00 174.62 175.16 2dmk s ARG 112 N 1.48 4.49 -0.02 4.92 1.81 -1.26 -2.07 118.95 128.30 2dmk s ARG 112 Ca 0.01 1.87 -0.02 0.00 -1.72 0.00 0.00 55.73 55.86 2dmk s ARG 112 Cb -0.19 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.07 2dmk s ARG 112 CO 0.04 -0.10 0.06 -0.51 -0.68 0.00 0.00 175.30 174.12 2dmk s LEU 113 N -0.15 1.76 -0.01 2.53 1.43 -0.20 -5.00 118.68 119.04 2dmk s LEU 113 Ca 0.53 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 2dmk s LEU 113 Cb -0.32 0.24 -0.02 0.00 0.03 0.00 0.00 46.19 46.12 2dmk s LEU 113 CO 0.36 -0.05 -0.24 -0.54 0.23 0.00 0.00 176.35 176.11 2dmk s LYS 114 N -0.11 1.89 0.78 1.70 1.02 -1.26 0.14 119.74 123.90 2dmk s LYS 114 Ca -0.02 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 2dmk s LYS 114 Cb -0.01 -1.85 0.13 0.00 -0.52 0.00 0.00 37.83 35.57 2dmk s LYS 114 CO 0.00 0.50 1.09 0.95 -0.92 0.00 0.00 175.35 176.98 2dmk s THR 115 N -0.59 2.15 0.11 2.17 -4.23 -1.15 -4.64 115.64 109.47 2dmk s THR 115 Ca 0.09 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.11 2dmk s THR 115 Cb -0.09 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 2dmk s THR 115 CO -0.00 0.00 0.56 0.20 -0.54 0.00 0.00 174.62 174.84 2dmk s ASN 116 N -4.71 6.95 0.00 3.99 0.01 -1.26 -4.40 114.94 115.52 2dmk s ASN 116 Ca 0.66 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 2dmk s ASN 116 Cb -0.07 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.27 2dmk s ASN 116 CO 0.47 0.18 0.58 -0.24 -1.51 0.00 0.00 177.10 176.58 2dmk n SER 117 N 1.24 0.00 -4.20 -1.22 2.88 -1.26 -2.80 113.62 108.26 2dmk n SER 117 Ca -0.08 0.58 -0.12 0.00 -1.33 0.00 0.00 58.87 57.92 2dmk n SER 117 Cb 0.51 -0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2dmk s GLN 118 N -2.30 0.96 1.11 -1.46 -0.21 -1.26 -3.38 119.66 113.11 2dmk s GLN 118 Ca 0.00 -1.42 -0.19 0.00 0.02 0.00 0.00 55.36 53.77 2dmk s GLN 118 Cb 0.00 -0.26 0.28 0.00 1.00 0.00 0.00 33.01 34.03 2dmk s GLN 118 CO 0.00 -0.05 0.99 -0.35 -2.12 0.00 0.00 175.29 173.75 2dmk n PRO 119 N -0.13 -2.94 -1.89 2.91 -0.04 -1.26 -4.83 135.00 126.82 2dmk n PRO 119 Ca -0.10 -1.58 -0.43 0.00 -0.04 0.00 0.00 63.50 61.36 2dmk n PRO 119 Cb 0.62 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -2.79 1.64 -0.29 0.54 0.40 -1.26 -4.96 117.98 111.26 2dmk s PHE 120 Ca 0.64 0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.51 2dmk s PHE 120 Cb -0.06 -4.07 0.01 0.00 0.51 0.00 0.00 43.02 39.41 2dmk s PHE 120 CO 0.49 -3.25 0.07 0.21 0.70 0.00 0.00 175.22 173.43 2dmk s LYS 121 N 5.84 3.02 -0.17 0.44 2.36 -1.26 -5.05 119.74 124.92 2dmk s LYS 121 Ca 0.85 -0.90 -0.29 0.00 -2.55 0.00 0.00 55.97 53.09 2dmk s LYS 121 Cb -0.25 -3.34 -0.06 0.00 -1.05 0.00 0.00 37.83 33.13 2dmk s LYS 121 CO 0.34 -0.46 2.18 -1.13 1.55 0.00 0.00 175.35 177.83 2dmk n SER 122 N 4.84 3.44 -4.62 1.43 3.41 -1.26 -4.96 113.62 115.90 2dmk n SER 122 Ca -0.15 0.34 -0.26 0.00 -0.26 0.00 0.00 58.87 58.54 2dmk n SER 122 Cb 0.48 -1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 2dmk n SER 122 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmk s GLY 123 N 7.56 2.32 0.01 5.00 0.00 -1.26 -5.10 107.32 115.85 2dmk s GLY 123 Ca 0.99 -2.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 2dmk s GLY 123 CO 0.37 -2.01 1.44 2.56 0.00 0.00 0.00 173.10 175.46 2dmk s PRO 124 N -3.72 4.27 0.01 2.90 0.04 -1.26 -4.88 135.00 132.36 2dmk s PRO 124 Ca 0.35 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2dmk s PRO 124 Cb 0.05 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2dmk s PRO 124 CO 0.19 -0.60 0.00 -1.13 0.04 0.00 0.00 177.00 175.49 2dmk n SER 125 N 5.44 0.05 -4.18 6.66 3.41 -1.26 -5.02 113.62 118.71 2dmk n SER 125 Ca 0.14 0.01 -0.34 0.00 -0.26 0.00 0.00 58.87 58.42 2dmk n SER 125 Cb 0.43 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 2dmk n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmk s SER 126 N -5.05 4.08 0.00 4.04 1.04 -1.26 -5.37 113.70 111.18 2dmk s SER 126 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2dmk s SER 126 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2dmk s SER 126 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73