#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 1.29 -4.78 1.61 3.41 -1.26 -4.89 113.62 109.00 2dmk n SER 2 Ca 0.00 1.13 -0.37 0.00 -0.26 0.00 0.00 58.87 59.38 2dmk n SER 2 Cb 0.00 -1.04 -0.05 0.00 -0.26 0.00 0.00 64.21 62.86 2dmk n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmk s SER 3 N 1.67 7.06 0.44 4.04 0.15 -1.26 -5.07 113.70 120.73 2dmk s SER 3 Ca 0.94 1.93 0.06 0.00 0.70 0.00 0.00 55.95 59.58 2dmk s SER 3 Cb -1.19 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 60.48 2dmk s SER 3 CO 0.62 -0.27 0.03 -0.83 1.20 0.00 0.00 173.24 173.98 2dmk s GLY 4 N -1.60 2.62 -0.37 9.45 0.00 -1.26 -5.12 107.32 111.04 2dmk s GLY 4 Ca 0.54 -1.81 0.04 0.00 0.00 0.00 0.00 44.72 43.48 2dmk s GLY 4 CO 0.25 -2.11 0.09 -0.45 0.00 0.00 0.00 173.10 170.89 2dmk s SER 5 N -3.77 4.73 -0.27 1.64 0.15 -1.26 -5.06 113.70 109.86 2dmk s SER 5 Ca 0.28 -2.28 -0.22 0.00 0.70 0.00 0.00 55.95 54.43 2dmk s SER 5 Cb 0.07 -1.64 0.07 0.00 -1.71 0.00 0.00 66.02 62.81 2dmk s SER 5 CO 0.15 -0.37 0.71 -0.44 1.20 0.00 0.00 173.24 174.49 2dmk s SER 6 N 0.77 -0.80 -0.06 5.45 0.01 -1.26 -5.16 113.70 112.66 2dmk s SER 6 Ca 0.12 1.46 0.02 0.00 1.31 0.00 0.00 55.95 58.85 2dmk s SER 6 Cb -0.20 1.44 0.02 0.00 0.21 0.00 0.00 66.02 67.48 2dmk s SER 6 CO -0.07 -0.25 -0.08 -0.83 0.41 0.00 0.00 173.24 172.43 2dmk s GLY 7 N 0.74 0.63 0.08 3.44 0.00 -1.26 -5.01 107.32 105.93 2dmk s GLY 7 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2dmk s GLY 7 CO -0.05 0.29 0.00 1.18 0.00 0.00 0.00 173.10 174.53 2dmk n GLU 8 N 3.96 0.00 -2.04 2.90 4.71 -1.26 -5.14 120.64 123.77 2dmk n GLU 8 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 2dmk n GLU 8 Cb 0.51 -0.37 0.00 0.00 -1.01 0.00 0.00 31.44 30.57 2dmk n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dmk n GLY 9 N 2.81 -5.31 3.56 0.62 0.00 -1.26 -4.70 105.19 100.90 2dmk n GLY 9 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 3.17 0.62 0.99 2.34 -1.26 -4.77 118.68 119.28 2dmk s LEU 10 Ca 0.00 0.21 0.25 0.00 0.06 0.00 0.00 54.13 54.65 2dmk s LEU 10 Cb 0.00 -2.53 1.13 0.00 -0.56 0.00 0.00 46.19 44.22 2dmk s LEU 10 CO 0.00 -3.01 1.58 -0.78 -1.06 0.00 0.00 176.35 173.07 2dmk h ASP 11 N 14.68 0.00 -3.65 1.48 3.58 -2.04 -3.39 116.42 127.08 2dmk h ASP 11 Ca -0.10 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.85 2dmk h ASP 11 Cb 1.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 2dmk h ASP 11 CO 1.14 0.00 0.33 -0.72 -2.88 0.00 0.00 179.24 177.11 2dmk s TYR 12 N -4.41 3.91 0.00 0.28 -0.85 -1.26 -4.94 117.35 110.08 2dmk s TYR 12 Ca -0.03 1.83 0.00 0.00 -0.52 0.00 0.00 57.07 58.35 2dmk s TYR 12 Cb 0.12 -2.98 0.00 0.00 0.38 0.00 0.00 41.96 39.49 2dmk s TYR 12 CO 0.42 0.37 0.00 -0.11 -1.52 0.00 0.00 175.55 174.71 2dmk n LEU 13 N 1.98 0.00 -0.53 -3.49 0.00 -1.26 -4.72 117.00 108.98 2dmk n LEU 13 Ca -0.01 -0.44 0.41 0.00 0.00 0.00 0.00 56.01 55.98 2dmk n LEU 13 Cb 0.48 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.54 2dmk n LEU 13 CO 0.50 0.00 1.22 1.07 0.00 0.00 0.00 177.39 180.18 2dmk n THR 14 N -0.93 0.00 -3.89 1.96 5.66 -1.26 -4.16 114.28 111.66 2dmk n THR 14 Ca 0.00 1.22 -0.11 0.00 -3.05 0.00 0.00 64.05 62.11 2dmk n THR 14 Cb 0.00 -2.05 -0.13 0.00 -1.55 0.00 0.00 70.33 66.60 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 -4.47 -0.03 0.19 1.79 0.00 -1.26 -3.62 121.76 114.36 2dmk s ALA 15 Ca -0.04 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2dmk s ALA 15 Cb 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.25 2dmk s ALA 15 CO 0.69 -0.06 1.31 -1.25 0.00 0.00 0.00 175.76 176.45 2dmk s PRO 16 N -0.42 4.39 0.32 0.00 0.04 -1.26 -4.96 135.00 133.11 2dmk s PRO 16 Ca -0.05 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 16 Cb -0.03 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 2dmk s PRO 16 CO -0.00 -0.26 1.24 0.27 0.04 0.00 0.00 177.00 178.28 2dmk n ASN 17 N 2.77 2.44 -4.70 6.66 6.94 -1.26 -4.36 115.26 123.74 2dmk n ASN 17 Ca 0.07 1.20 -0.42 0.00 -0.02 0.00 0.00 54.58 55.40 2dmk n ASN 17 Cb 0.43 -1.44 -0.03 0.00 -2.36 0.00 0.00 39.78 36.38 2dmk n ASN 17 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2dmk s PRO 18 N -1.66 4.30 0.78 -0.53 0.04 -1.26 -4.82 135.00 131.85 2dmk s PRO 18 Ca 0.57 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 2dmk s PRO 18 Cb -0.61 -3.41 0.06 0.00 0.04 0.00 0.00 34.50 30.58 2dmk s PRO 18 CO 0.60 -0.50 1.09 -1.25 0.04 0.00 0.00 177.00 176.98 2dmk s PRO 19 N 1.72 2.23 -0.40 0.56 0.04 -1.26 -4.97 135.00 132.93 2dmk s PRO 19 Ca 0.65 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 2dmk s PRO 19 Cb -0.34 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.40 2dmk s PRO 19 CO 0.29 -1.66 0.18 -1.12 0.04 0.00 0.00 177.00 174.73 2dmk s SER 20 N -3.40 5.21 -0.52 6.66 0.01 0.00 -4.82 113.70 116.84 2dmk s SER 20 Ca 0.61 -1.96 -0.27 0.00 1.31 0.00 0.00 55.95 55.64 2dmk s SER 20 Cb -0.17 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2dmk s SER 20 CO 0.56 -0.51 1.74 -0.63 0.41 0.00 0.00 173.24 174.81 2dmk s ILE 21 N 1.14 3.49 -0.08 1.44 1.01 -1.26 -0.28 121.20 126.67 2dmk s ILE 21 Ca 0.07 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 2dmk s ILE 21 Cb -0.22 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2dmk s ILE 21 CO -0.04 -0.83 1.17 -0.13 0.00 0.00 0.00 174.94 175.10 2dmk s ARG 22 N 6.32 4.35 0.17 2.79 1.81 0.14 -4.91 118.95 129.63 2dmk s ARG 22 Ca 0.67 1.61 0.19 0.00 -1.72 0.00 0.00 55.73 56.49 2dmk s ARG 22 Cb -0.15 -3.57 -0.02 0.00 -0.45 0.00 0.00 34.95 30.76 2dmk s ARG 22 CO 0.25 -0.45 1.05 0.93 -0.68 0.00 0.00 175.30 176.41 2dmk h GLU 23 N 7.44 0.00 0.00 3.54 5.08 -1.93 -2.91 114.58 125.80 2dmk h GLU 23 Ca -0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2dmk h GLU 23 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2dmk h GLU 23 CO 0.88 0.19 -0.53 1.05 -1.00 0.00 0.00 179.01 179.61 2dmk h GLU 24 N 0.00 0.00 0.00 2.33 4.11 -1.96 -3.26 114.58 115.80 2dmk h GLU 24 Ca -0.07 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.09 2dmk h GLU 24 Cb 1.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 2dmk h GLU 24 CO 0.03 0.53 -1.74 1.28 0.07 0.00 0.00 179.01 179.17 2dmk n LEU 25 N -3.32 0.73 -4.76 3.06 4.77 -1.25 -4.93 117.00 111.31 2dmk n LEU 25 Ca 0.01 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.95 2dmk n LEU 25 Cb 0.70 0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.99 2dmk n LEU 25 CO 0.40 0.34 0.92 0.00 -1.33 0.00 0.00 177.39 177.72 2dmk s THR 27 N -1.39 2.22 -0.10 0.00 -4.23 0.22 -4.96 115.64 107.40 2dmk s THR 27 Ca 0.65 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2dmk s THR 27 Cb -0.35 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2dmk s THR 27 CO 0.43 -0.28 -0.14 0.00 -0.54 0.00 0.00 174.62 174.08 2dmk s ALA 28 N -2.10 1.56 0.34 3.99 0.00 -1.26 -1.40 121.76 122.89 2dmk s ALA 28 Ca 0.22 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2dmk s ALA 28 Cb -0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 2dmk s ALA 28 CO 0.10 -0.04 -0.05 0.45 0.00 0.00 0.00 175.76 176.22 2dmk s SER 29 N 0.95 3.35 0.00 0.00 0.15 0.36 -4.32 113.70 114.19 2dmk s SER 29 Ca -0.08 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.32 2dmk s SER 29 Cb -0.15 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2dmk s SER 29 CO -0.00 -0.33 0.60 0.00 1.20 0.00 0.00 173.24 174.71 2dmk n HIS 30 N -0.76 0.00 -1.84 3.44 1.44 -1.26 -2.75 115.22 113.48 2dmk n HIS 30 Ca -0.05 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.59 2dmk n HIS 30 Cb 0.64 -0.24 0.12 0.00 0.12 0.00 0.00 29.99 30.64 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 -2.07 3.10 -3.70 4.39 5.68 -1.26 -3.55 116.55 119.14 2dmk n ASP 31 Ca 0.00 -3.74 -0.12 0.00 -0.50 0.00 0.00 54.79 50.43 2dmk n ASP 31 Cb 0.00 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.45 2dmk n ASP 31 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dmk s THR 32 N -3.76 -0.01 -0.03 2.12 -4.23 -1.11 -2.88 115.64 105.74 2dmk s THR 32 Ca 0.43 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 2dmk s THR 32 Cb 0.39 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.53 2dmk s THR 32 CO -0.02 0.01 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.35 2dmk s ILE 33 N 0.68 0.78 -0.40 2.99 1.01 -1.05 0.13 121.20 125.34 2dmk s ILE 33 Ca -0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2dmk s ILE 33 Cb -0.05 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.82 2dmk s ILE 33 CO -0.05 0.25 0.20 -0.89 0.00 0.00 0.00 174.94 174.45 2dmk s THR 34 N 0.23 3.52 0.03 2.92 2.01 -0.49 -1.00 115.64 122.86 2dmk s THR 34 Ca -0.04 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 59.98 2dmk s THR 34 Cb -0.09 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2dmk s THR 34 CO 0.01 -0.57 0.58 -0.69 -0.69 0.00 0.00 174.62 173.26 2dmk s VAL 35 N 1.24 4.83 -0.14 3.82 1.01 -1.23 -0.61 120.40 129.31 2dmk s VAL 35 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2dmk s VAL 35 Cb -0.23 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2dmk s VAL 35 CO -0.02 0.48 -0.15 -1.00 0.00 0.00 0.00 175.10 174.42 2dmk s HIS 36 N -0.63 2.78 -0.15 5.22 3.76 -1.26 -3.15 115.29 121.87 2dmk s HIS 36 Ca 0.30 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 2dmk s HIS 36 Cb -0.19 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.65 2dmk s HIS 36 CO 0.18 -0.37 -0.20 1.67 -0.85 0.00 0.00 174.74 175.17 2dmk s TRP 37 N 0.62 2.59 -0.14 1.40 -2.14 -0.96 0.28 118.94 120.58 2dmk s TRP 37 Ca -0.08 -1.36 -0.07 0.00 2.66 0.00 0.00 56.10 57.24 2dmk s TRP 37 Cb -0.16 -1.78 -0.04 0.00 -3.10 0.00 0.00 33.47 28.39 2dmk s TRP 37 CO 0.03 -0.65 0.11 -1.50 -2.66 0.00 0.00 176.95 172.28 2dmk s ILE 38 N 0.98 5.23 0.05 0.66 1.10 0.62 -4.82 121.20 125.02 2dmk s ILE 38 Ca -0.04 0.11 0.03 0.00 -0.51 0.00 0.00 60.65 60.24 2dmk s ILE 38 Cb -0.15 -3.31 -0.03 0.00 0.15 0.00 0.00 42.46 39.13 2dmk s ILE 38 CO -0.05 0.55 -0.09 -0.44 -2.11 0.00 0.00 174.94 172.81 2dmk s SER 39 N -0.46 1.01 -0.13 4.50 0.01 -1.26 -0.82 113.70 116.55 2dmk s SER 39 Ca 0.11 -0.61 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 2dmk s SER 39 Cb -0.12 0.03 -0.25 0.00 0.21 0.00 0.00 66.02 65.90 2dmk s SER 39 CO 0.02 -0.22 0.33 0.47 0.41 0.00 0.00 173.24 174.25 2dmk n ASP 40 N 1.26 1.90 -3.76 2.44 8.00 -1.26 -4.79 116.55 120.33 2dmk n ASP 40 Ca -0.21 0.19 -0.30 0.00 0.71 0.00 0.00 54.79 55.18 2dmk n ASP 40 Cb 0.55 -0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 2dmk n ASP 40 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2dmk s ASP 41 N -6.82 4.10 -0.12 -2.24 1.01 -1.26 -4.94 116.67 106.40 2dmk s ASP 41 Ca -0.21 -1.70 0.18 0.00 0.71 0.00 0.00 52.55 51.53 2dmk s ASP 41 Cb 0.07 -0.94 0.28 0.00 1.01 0.00 0.00 42.92 43.34 2dmk s ASP 41 CO 0.76 -0.41 1.14 -1.84 0.21 0.00 0.00 175.17 175.03 2dmk n GLU 42 N 4.77 1.30 -0.06 8.23 0.28 -1.26 -4.70 120.64 129.20 2dmk n GLU 42 Ca -0.01 -2.53 -0.16 0.00 -0.16 0.00 0.00 57.16 54.31 2dmk n GLU 42 Cb 0.42 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 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 1.05 -0.23 -1.84 -1.00 -2.01 -3.24 116.94 109.67 2dmk h PHE 43 Ca 0.00 -0.40 -0.19 0.00 2.81 0.00 0.00 57.97 60.19 2dmk h PHE 43 Cb 1.00 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.37 2dmk h PHE 43 CO 0.00 1.22 -0.61 1.03 -1.61 0.00 0.00 178.31 178.35 2dmk h SER 44 N 0.57 0.89 -1.54 2.17 0.87 -1.97 -3.44 113.55 111.11 2dmk h SER 44 Ca -0.01 -0.50 -0.66 0.00 -1.23 0.00 0.00 61.79 59.39 2dmk h SER 44 Cb 1.20 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2dmk h SER 44 CO 0.13 1.29 1.26 -0.38 -0.53 0.00 0.00 176.83 178.59 2dmk n ILE 45 N -3.97 0.34 0.15 2.23 5.41 -1.22 -4.14 119.36 118.15 2dmk n ILE 45 Ca -0.05 -0.20 0.02 0.00 1.00 0.00 0.00 62.75 63.52 2dmk n ILE 45 Cb 0.65 -1.75 0.14 0.00 -0.71 0.00 0.00 39.64 37.98 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 10.96 0.00 -3.99 4.38 0.87 -1.35 -3.47 113.55 120.95 2dmk h SER 46 Ca -0.38 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.32 2dmk h SER 46 Cb 1.30 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 63.03 2dmk h SER 46 CO 0.98 0.52 0.66 -0.94 -0.53 0.00 0.00 176.83 177.52 2dmk s SER 47 N -6.50 -0.27 0.18 6.23 1.04 -1.16 -5.04 113.70 108.18 2dmk s SER 47 Ca 0.02 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.72 2dmk s SER 47 Cb 0.10 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 2dmk s SER 47 CO 0.73 -0.30 0.28 -0.31 0.98 0.00 0.00 173.24 174.63 2dmk s TYR 48 N -1.48 3.42 -0.06 5.02 2.02 -0.82 -2.57 117.35 122.89 2dmk s TYR 48 Ca 0.03 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 2dmk s TYR 48 Cb -0.01 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2dmk s TYR 48 CO -0.02 0.50 -0.11 -2.00 -1.57 0.00 0.00 175.55 172.35 2dmk s GLU 49 N -3.44 1.51 -0.19 -0.62 2.12 -1.06 -3.59 118.70 113.44 2dmk s GLU 49 Ca 0.34 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 55.24 2dmk s GLU 49 Cb -0.10 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 2dmk s GLU 49 CO 0.28 0.02 0.05 -1.17 -0.54 0.00 0.00 175.26 173.90 2dmk s LEU 50 N 0.66 3.73 -0.19 2.70 2.96 -1.24 -1.61 118.68 125.69 2dmk s LEU 50 Ca -0.13 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2dmk s LEU 50 Cb -0.15 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.64 2dmk s LEU 50 CO 0.03 0.16 -0.07 -1.10 -1.32 0.00 0.00 176.35 174.04 2dmk s GLN 51 N 0.48 1.71 0.13 1.98 -0.21 -0.85 -1.96 119.66 120.93 2dmk s GLN 51 Ca 0.02 -0.71 0.07 0.00 0.02 0.00 0.00 55.36 54.77 2dmk s GLN 51 Cb -0.13 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2dmk s GLN 51 CO 0.01 -0.45 -0.16 1.52 -2.12 0.00 0.00 175.29 174.09 2dmk s TYR 52 N 1.51 1.57 -0.09 0.91 1.13 -1.13 0.69 117.35 121.93 2dmk s TYR 52 Ca -0.01 -0.50 -0.27 0.00 -1.41 0.00 0.00 57.07 54.89 2dmk s TYR 52 Cb -0.16 -0.82 0.06 0.00 -1.10 0.00 0.00 41.96 39.94 2dmk s TYR 52 CO -0.08 0.20 0.62 -0.08 -2.51 0.00 0.00 175.55 173.71 2dmk s THR 53 N -1.89 0.01 0.07 -3.49 -1.32 -0.74 -2.67 115.64 105.62 2dmk s THR 53 Ca 0.10 -0.07 -0.31 0.00 -1.21 0.00 0.00 61.69 60.20 2dmk s THR 53 Cb -0.06 -0.92 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 2dmk s THR 53 CO 0.04 -0.04 1.26 -0.63 -2.21 0.00 0.00 174.62 173.04 2dmk s ILE 54 N -0.82 3.84 -0.21 5.08 1.01 -1.26 -1.62 121.20 127.22 2dmk s ILE 54 Ca -0.09 1.32 -0.05 0.00 0.00 0.00 0.00 60.65 61.83 2dmk s ILE 54 Cb -0.02 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2dmk s ILE 54 CO 0.07 0.09 -0.01 0.12 0.00 0.00 0.00 174.94 175.22 2dmk s PHE 55 N 1.16 3.01 0.00 3.97 2.19 -1.13 -4.93 117.98 122.26 2dmk s PHE 55 Ca 0.60 -0.60 0.00 0.00 0.33 0.00 0.00 56.93 57.26 2dmk s PHE 55 Cb -0.31 -2.10 0.00 0.00 -1.31 0.00 0.00 43.02 39.30 2dmk s PHE 55 CO 0.29 -0.34 0.00 0.25 1.83 0.00 0.00 175.22 177.25 2dmk n THR 56 N 4.47 0.00 0.00 0.12 -2.24 -1.26 -4.25 114.28 111.12 2dmk n THR 56 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2dmk n THR 56 Cb 0.51 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2dmk n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmk n GLY 57 N 2.73 0.00 3.31 3.38 0.00 -1.26 -5.14 105.19 108.22 2dmk n GLY 57 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2dmk n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dmk n GLN 58 N 0.00 0.15 -0.26 1.61 -0.06 -1.26 -4.74 117.38 112.82 2dmk n GLN 58 Ca 0.00 0.07 0.08 0.00 -2.00 0.00 0.00 57.00 55.16 2dmk n GLN 58 Cb 0.00 -1.42 0.17 0.00 -4.06 0.00 0.00 30.24 24.93 2dmk n GLN 58 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dmk n ALA 59 N -2.15 0.30 -3.63 1.69 0.00 -1.26 -4.38 120.51 111.08 2dmk n ALA 59 Ca 0.07 0.79 -0.09 0.00 0.00 0.00 0.00 53.44 54.21 2dmk n ALA 59 Cb 0.50 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 2dmk n ALA 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dmk s ASN 60 N -5.07 -0.82 0.38 0.00 3.84 -1.26 -5.03 114.94 106.98 2dmk s ASN 60 Ca -0.10 1.37 0.21 0.00 0.21 0.00 0.00 52.86 54.55 2dmk s ASN 60 Cb 0.21 1.27 1.28 0.00 -0.55 0.00 0.00 41.25 43.46 2dmk s ASN 60 CO 0.57 -0.23 1.62 0.15 -2.79 0.00 0.00 177.10 176.42 2dmk h PHE 61 N 6.60 0.78 0.49 0.43 3.57 -1.97 0.18 116.94 127.02 2dmk h PHE 61 Ca -0.31 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 2dmk h PHE 61 Cb 1.21 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2dmk h PHE 61 CO 0.16 -0.30 -0.28 0.82 -2.23 0.00 0.00 178.31 176.48 2dmk h ILE 62 N 0.14 0.41 -0.52 1.41 1.08 -1.96 -0.69 117.51 117.39 2dmk h ILE 62 Ca 0.80 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 65.32 2dmk h ILE 62 Cb 2.13 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 36.22 2dmk h ILE 62 CO -0.62 0.00 -0.42 0.28 -0.69 0.00 0.00 178.15 176.70 2dmk h SER 63 N -0.73 -1.47 0.29 1.72 0.02 -1.04 0.58 113.55 112.92 2dmk h SER 63 Ca -0.06 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2dmk h SER 63 Cb 0.59 0.63 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2dmk h SER 63 CO 0.07 -0.23 -0.25 0.25 -1.14 0.00 0.00 176.83 175.53 2dmk h LEU 64 N -0.14 -0.67 -1.66 5.07 5.85 -1.50 -1.69 115.31 120.58 2dmk h LEU 64 Ca 0.09 0.05 0.32 0.00 0.84 0.00 0.00 57.88 59.17 2dmk h LEU 64 Cb 0.36 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2dmk h LEU 64 CO -0.56 -0.34 0.99 0.22 -0.34 0.00 0.00 178.44 178.41 2dmk h TYR 65 N -0.53 0.00 0.59 1.25 3.20 -0.78 0.99 116.97 121.70 2dmk h TYR 65 Ca -0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2dmk h TYR 65 Cb 0.44 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.72 2dmk h TYR 65 CO -0.11 0.00 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.15 2dmk h ASN 66 N 0.00 -0.68 -0.31 -2.11 -0.73 0.11 -3.00 115.58 108.87 2dmk h ASN 66 Ca 0.52 0.01 -0.33 0.00 1.87 0.00 0.00 56.30 58.38 2dmk h ASN 66 Cb 2.50 0.17 -0.09 0.00 0.27 0.00 0.00 38.32 41.17 2dmk h ASN 66 CO -0.01 -0.47 0.24 -1.20 -0.37 0.00 0.00 177.43 175.62 2dmk n SER 67 N -5.43 5.93 -0.34 1.15 7.64 0.34 -4.63 113.62 118.29 2dmk n SER 67 Ca -0.13 -2.69 0.23 0.00 1.01 0.00 0.00 58.87 57.29 2dmk n SER 67 Cb 0.33 -1.38 0.49 0.00 -1.01 0.00 0.00 64.21 62.64 2dmk n SER 67 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dmk h VAL 68 N 2.10 0.49 -1.50 0.44 3.04 -1.61 -0.03 116.25 119.18 2dmk h VAL 68 Ca 0.31 -0.14 0.48 0.00 -1.01 0.00 0.00 66.70 66.34 2dmk h VAL 68 Cb 1.18 0.04 -0.11 0.00 -2.01 0.00 0.00 31.29 30.40 2dmk h VAL 68 CO 0.56 0.07 1.02 -0.67 -1.01 0.00 0.00 177.57 177.54 2dmk n ASP 69 N -4.70 0.11 -0.08 3.17 2.03 -1.26 0.23 116.55 116.05 2dmk n ASP 69 Ca 0.27 1.13 -0.14 0.00 0.52 0.00 0.00 54.79 56.57 2dmk n ASP 69 Cb 0.90 -0.56 -0.05 0.00 -0.72 0.00 0.00 41.12 40.69 2dmk n ASP 69 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2dmk h SER 70 N 0.00 0.74 -2.04 1.67 0.87 -1.38 -3.46 113.55 109.95 2dmk h SER 70 Ca 0.83 -0.50 -0.60 0.00 -1.23 0.00 0.00 61.79 60.29 2dmk h SER 70 Cb 2.97 -0.21 0.18 0.00 -0.44 0.00 0.00 62.40 64.90 2dmk h SER 70 CO -0.26 1.10 -1.13 0.79 -0.53 0.00 0.00 176.83 176.80 2dmk n TRP 71 N -4.24 -2.84 -3.20 2.24 7.02 0.61 -4.91 117.44 112.12 2dmk n TRP 71 Ca -0.05 0.45 -0.35 0.00 -1.02 0.00 0.00 57.50 56.53 2dmk n TRP 71 Cb 0.50 -1.69 -0.06 0.00 -2.42 0.00 0.00 31.31 27.64 2dmk n TRP 71 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2dmk s MET 72 N -1.06 4.10 -0.01 -0.99 -1.94 -1.09 -4.99 119.30 113.32 2dmk s MET 72 Ca 0.57 0.69 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 2dmk s MET 72 Cb -0.49 -2.80 -0.00 0.00 2.01 0.00 0.00 34.83 33.55 2dmk s MET 72 CO 0.66 0.37 -0.05 0.42 -0.01 0.00 0.00 175.02 176.41 2dmk s ILE 73 N -1.61 0.40 -0.42 2.53 1.09 -1.26 -2.86 121.20 119.07 2dmk s ILE 73 Ca 0.44 -0.21 0.02 0.00 -1.10 0.00 0.00 60.65 59.80 2dmk s ILE 73 Cb -0.15 -0.35 0.14 0.00 -1.06 0.00 0.00 42.46 41.04 2dmk s ILE 73 CO 0.20 0.12 0.24 -0.69 -0.10 0.00 0.00 174.94 174.70 2dmk s VAL 74 N -0.05 1.14 0.00 2.92 1.01 -0.83 -4.99 120.40 119.61 2dmk s VAL 74 Ca 0.01 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.59 2dmk s VAL 74 Cb -0.03 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2dmk s VAL 74 CO -0.00 -0.92 0.00 -0.81 0.00 0.00 0.00 175.10 173.37 2dmk n PRO 75 N 3.62 -0.32 -3.61 2.72 -0.04 -1.26 -3.65 135.00 132.46 2dmk n PRO 75 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 2dmk n PRO 75 Cb 0.35 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.97 -6.16 -4.34 3.54 3.02 -1.26 -4.97 115.26 103.13 2dmk n ASN 76 Ca 0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.59 2dmk n ASN 76 Cb 0.00 -4.99 -0.10 0.00 -0.61 0.00 0.00 39.78 34.07 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 4.52 -0.31 2.41 1.01 -1.24 -4.93 121.20 119.34 2dmk s ILE 77 Ca 0.57 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 60.20 2dmk s ILE 77 Cb -0.25 -3.64 0.46 0.00 0.01 0.00 0.00 42.46 39.04 2dmk s ILE 77 CO 0.73 -0.38 1.33 0.29 0.00 0.00 0.00 174.94 176.92 2dmk n LYS 78 N 4.99 2.81 -4.41 2.79 4.76 -1.26 -1.94 118.16 125.90 2dmk n LYS 78 Ca -0.11 -3.74 -0.23 0.00 -2.87 0.00 0.00 58.31 51.36 2dmk n LYS 78 Cb 0.45 -2.07 -0.08 0.00 -1.84 0.00 0.00 35.03 31.49 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 -3.49 1.87 -0.08 1.97 0.00 -1.26 -5.05 119.66 113.62 2dmk s GLN 79 Ca 0.49 -2.12 0.17 0.00 -0.00 0.00 0.00 55.36 53.89 2dmk s GLN 79 Cb 0.41 -0.16 0.56 0.00 0.00 0.00 0.00 33.01 33.82 2dmk s GLN 79 CO 0.00 -0.58 1.48 0.09 0.00 0.00 0.00 175.29 176.29 2dmk n ASN 80 N -1.47 4.00 -3.40 12.60 4.13 -1.26 -4.89 115.26 124.98 2dmk n ASN 80 Ca 0.00 -2.35 0.02 0.00 1.68 0.00 0.00 54.58 53.93 2dmk n ASN 80 Cb 0.64 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.64 -0.85 -0.17 3.10 -3.43 -1.26 -2.27 115.29 108.78 2dmk s HIS 81 Ca 0.42 1.36 -0.00 0.00 -0.80 0.00 0.00 55.06 56.03 2dmk s HIS 81 Cb 0.26 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.88 2dmk s HIS 81 CO 0.21 -0.43 -0.14 -0.47 -2.00 0.00 0.00 174.74 171.91 2dmk s TYR 82 N 2.61 2.82 -0.41 0.38 6.14 -1.19 -4.96 117.35 122.74 2dmk s TYR 82 Ca -0.01 -1.11 -0.26 0.00 0.64 0.00 0.00 57.07 56.33 2dmk s TYR 82 Cb -0.08 -1.93 0.02 0.00 0.42 0.00 0.00 41.96 40.38 2dmk s TYR 82 CO -0.17 -0.53 0.94 0.99 0.64 0.00 0.00 175.55 177.41 2dmk s THR 83 N 1.00 4.52 -0.07 4.34 2.01 -1.26 -3.57 115.64 122.61 2dmk s THR 83 Ca -0.02 1.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.76 2dmk s THR 83 Cb -0.15 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 2dmk s THR 83 CO -0.03 -0.67 0.89 -0.69 -0.69 0.00 0.00 174.62 173.43 2dmk s VAL 84 N 3.64 4.90 0.05 3.82 1.01 -0.17 -4.92 120.40 128.73 2dmk s VAL 84 Ca 0.38 1.82 0.05 0.00 0.00 0.00 0.00 61.98 64.24 2dmk s VAL 84 Cb -0.11 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2dmk s VAL 84 CO 0.22 0.13 -0.10 -1.00 0.00 0.00 0.00 175.10 174.35 2dmk s HIS 85 N 1.37 2.77 0.00 5.22 3.76 -1.26 -2.54 115.29 124.59 2dmk s HIS 85 Ca 0.45 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 2dmk s HIS 85 Cb -0.19 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2dmk s HIS 85 CO 0.21 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.87 2dmk n GLY 86 N 1.22 0.68 3.76 -2.22 0.00 -1.18 -5.06 105.19 102.41 2dmk n GLY 86 Ca -0.15 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2dmk n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmk n LEU 87 N -0.03 0.00 -4.41 0.99 4.77 -1.14 -5.07 117.00 112.11 2dmk n LEU 87 Ca 0.00 -2.94 -0.32 0.00 -0.03 0.00 0.00 56.01 52.72 2dmk n LEU 87 Cb 0.02 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2dmk n LEU 87 CO 0.00 -0.55 -0.49 -1.10 -1.33 0.00 0.00 177.39 173.91 2dmk s GLN 88 N -4.15 2.41 0.39 3.23 -0.21 -1.26 -4.65 119.66 115.41 2dmk s GLN 88 Ca 0.24 -0.78 -0.27 0.00 0.02 0.00 0.00 55.36 54.56 2dmk s GLN 88 Cb -0.02 -2.27 -0.10 0.00 1.00 0.00 0.00 33.01 31.62 2dmk s GLN 88 CO 0.15 0.58 1.44 -1.54 -2.12 0.00 0.00 175.29 173.81 2dmk s SER 89 N -0.64 6.27 -1.07 5.90 1.04 -1.23 -3.37 113.70 120.60 2dmk s SER 89 Ca 0.10 2.96 -0.16 0.00 0.48 0.00 0.00 55.95 59.33 2dmk s SER 89 Cb -0.11 -2.66 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 2dmk s SER 89 CO 0.00 -0.91 0.79 0.61 0.98 0.00 0.00 173.24 174.71 2dmk n GLY 90 N 0.53 -1.06 3.14 7.32 0.00 -1.17 -5.00 105.19 108.96 2dmk n GLY 90 Ca 0.02 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.38 0.02 0.43 2.61 2.01 -1.22 -4.97 115.64 111.15 2dmk s THR 91 Ca 0.40 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 2dmk s THR 91 Cb -0.13 -0.41 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 2dmk s THR 91 CO 0.84 -0.11 1.08 -0.13 -0.69 0.00 0.00 174.62 175.61 2dmk s ARG 92 N -0.36 3.98 -0.19 4.92 0.52 -1.26 -3.11 118.95 123.44 2dmk s ARG 92 Ca -0.05 1.56 -0.05 0.00 -0.52 0.00 0.00 55.73 56.67 2dmk s ARG 92 Cb -0.03 -2.42 0.10 0.00 0.52 0.00 0.00 34.95 33.12 2dmk s ARG 92 CO 0.01 -0.31 0.35 0.71 0.02 0.00 0.00 175.30 176.08 2dmk s TYR 93 N -1.68 -0.66 -0.19 -0.53 2.02 0.14 -2.82 117.35 113.62 2dmk s TYR 93 Ca 0.61 1.06 -0.17 0.00 -0.37 0.00 0.00 57.07 58.20 2dmk s TYR 93 Cb -0.23 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2dmk s TYR 93 CO 0.28 -0.53 0.46 0.42 -1.57 0.00 0.00 175.55 174.61 2dmk s ILE 94 N 2.52 5.15 0.01 2.71 1.01 -0.64 -1.03 121.20 130.94 2dmk s ILE 94 Ca 0.04 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.58 2dmk s ILE 94 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2dmk s ILE 94 CO -0.12 0.22 -0.08 -0.36 0.00 0.00 0.00 174.94 174.60 2dmk s PHE 95 N 1.39 2.86 -0.21 3.97 0.40 -0.52 -1.79 117.98 124.09 2dmk s PHE 95 Ca 0.22 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 2dmk s PHE 95 Cb -0.15 -1.59 0.09 0.00 0.51 0.00 0.00 43.02 41.88 2dmk s PHE 95 CO 0.09 0.37 0.17 0.42 0.70 0.00 0.00 175.22 176.97 2dmk s ILE 96 N -1.01 -0.22 -0.21 0.64 1.01 0.22 -0.89 121.20 120.73 2dmk s ILE 96 Ca 0.17 -0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2dmk s ILE 96 Cb -0.11 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 2dmk s ILE 96 CO 0.08 -0.31 0.75 -0.69 0.00 0.00 0.00 174.94 174.78 2dmk s VAL 97 N 2.24 4.91 -0.30 2.92 1.01 -1.26 -2.00 120.40 127.91 2dmk s VAL 97 Ca 0.06 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 2dmk s VAL 97 Cb -0.16 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.22 2dmk s VAL 97 CO -0.15 0.02 0.01 -0.75 0.00 0.00 0.00 175.10 174.22 2dmk s LYS 98 N 2.36 2.37 0.25 2.72 2.20 -0.63 -2.18 119.74 126.84 2dmk s LYS 98 Ca 0.33 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.33 2dmk s LYS 98 Cb -0.16 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 2dmk s LYS 98 CO 0.10 -0.65 1.17 0.00 -0.36 0.00 0.00 175.35 175.60 2dmk s ALA 99 N 1.23 3.43 -0.05 3.13 0.00 -0.88 -2.57 121.76 126.05 2dmk s ALA 99 Ca -0.04 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2dmk s ALA 99 Cb -0.20 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2dmk s ALA 99 CO -0.02 -0.31 -0.17 0.42 0.00 0.00 0.00 175.76 175.68 2dmk s ILE 100 N -0.76 1.44 0.24 0.00 1.01 -1.06 -0.89 121.20 121.18 2dmk s ILE 100 Ca 0.48 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2dmk s ILE 100 Cb -0.33 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2dmk s ILE 100 CO 0.41 0.42 0.17 -0.46 0.00 0.00 0.00 174.94 175.48 2dmk n ASN 101 N 3.34 -0.03 0.02 3.58 6.94 -0.02 -0.98 115.26 128.11 2dmk n ASN 101 Ca -0.19 -2.48 0.13 0.00 -0.02 0.00 0.00 54.58 52.01 2dmk n ASN 101 Cb 0.53 1.02 0.58 0.00 -2.36 0.00 0.00 39.78 39.54 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 0.20 0.00 -3.83 5.75 -1.97 -3.20 115.11 112.07 2dmk h GLN 102 Ca -0.17 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2dmk h GLN 102 Cb 0.82 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2dmk h GLN 102 CO 0.26 0.13 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 2dmk n ALA 103 N -2.56 -0.11 -2.16 3.38 0.00 -1.26 -5.08 120.51 112.72 2dmk n ALA 103 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2dmk n ALA 103 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2dmk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmk n GLY 104 N 1.24 3.78 3.11 0.00 0.00 -1.21 -4.97 105.19 107.15 2dmk n GLY 104 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2dmk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 105 N 1.84 0.12 -0.17 1.61 1.04 -1.26 -0.84 113.70 116.04 2dmk s SER 105 Ca 0.00 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 2dmk s SER 105 Cb 0.00 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.38 2dmk s SER 105 CO 0.00 -0.45 -0.03 -0.60 0.98 0.00 0.00 173.24 173.14 2dmk s ARG 106 N -2.10 1.19 -0.23 4.02 6.06 -0.07 -4.72 118.95 123.11 2dmk s ARG 106 Ca -0.09 -0.46 -0.26 0.00 -2.50 0.00 0.00 55.73 52.42 2dmk s ARG 106 Cb -0.04 -1.95 -0.00 0.00 0.06 0.00 0.00 34.95 33.02 2dmk s ARG 106 CO -0.02 -0.47 0.89 -0.80 -2.50 0.00 0.00 175.30 172.39 2dmk s ASN 107 N 1.70 6.92 0.84 -2.12 -0.87 -1.26 -2.07 114.94 118.08 2dmk s ASN 107 Ca 0.00 1.15 -0.12 0.00 -1.57 0.00 0.00 52.86 52.32 2dmk s ASN 107 Cb -0.16 -2.47 0.10 0.00 -0.02 0.00 0.00 41.25 38.70 2dmk s ASN 107 CO -0.07 -0.54 1.18 -0.94 -2.57 0.00 0.00 177.10 174.15 2dmk s SER 108 N 1.28 4.26 0.59 -1.22 1.04 -0.93 -5.01 113.70 113.71 2dmk s SER 108 Ca 0.38 0.80 -0.18 0.00 0.48 0.00 0.00 55.95 57.42 2dmk s SER 108 Cb -0.15 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 2dmk s SER 108 CO 0.08 -2.06 1.16 -1.61 0.98 0.00 0.00 173.24 171.78 2dmk s GLU 109 N -5.53 3.06 -0.08 4.02 2.02 -1.26 -4.72 118.70 116.20 2dmk s GLU 109 Ca 0.63 1.66 -0.30 0.00 0.02 0.00 0.00 54.97 56.98 2dmk s GLU 109 Cb -0.11 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 2dmk s GLU 109 CO 0.50 -1.10 1.51 -1.25 0.02 0.00 0.00 175.26 174.94 2dmk s PRO 110 N -3.47 4.21 -0.38 0.39 0.04 -1.26 -4.73 135.00 129.80 2dmk s PRO 110 Ca 0.74 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.68 2dmk s PRO 110 Cb -0.26 -3.86 0.03 0.00 0.04 0.00 0.00 34.50 30.45 2dmk s PRO 110 CO 0.32 -0.77 0.22 0.99 0.04 0.00 0.00 177.00 177.80 2dmk s THR 111 N 3.64 4.57 0.17 1.26 2.01 -0.07 -4.93 115.64 122.29 2dmk s THR 111 Ca 0.67 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2dmk s THR 111 Cb -0.30 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 2dmk s THR 111 CO 0.25 -0.27 1.18 -0.13 -0.69 0.00 0.00 174.62 174.95 2dmk s ARG 112 N 1.55 4.51 -0.07 4.92 0.52 -1.26 -1.43 118.95 127.68 2dmk s ARG 112 Ca 0.02 1.83 -0.08 0.00 -0.52 0.00 0.00 55.73 56.98 2dmk s ARG 112 Cb -0.20 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.03 2dmk s ARG 112 CO 0.06 -0.07 0.20 -0.51 0.02 0.00 0.00 175.30 175.01 2dmk s LEU 113 N -0.11 1.23 0.15 2.53 1.43 -0.19 -4.98 118.68 118.74 2dmk s LEU 113 Ca 0.53 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 54.06 2dmk s LEU 113 Cb -0.32 0.73 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 2dmk s LEU 113 CO 0.35 -0.12 -0.23 -0.54 0.23 0.00 0.00 176.35 176.05 2dmk s LYS 114 N -0.12 1.58 0.63 1.70 -0.14 -1.26 0.28 119.74 122.41 2dmk s LYS 114 Ca -0.02 -1.36 -0.01 0.00 -1.36 0.00 0.00 55.97 53.21 2dmk s LYS 114 Cb -0.02 -1.95 0.06 0.00 -1.68 0.00 0.00 37.83 34.24 2dmk s LYS 114 CO 0.01 0.44 0.89 0.95 -0.76 0.00 0.00 175.35 176.88 2dmk s THR 115 N -1.33 2.44 0.46 2.17 -4.23 -1.18 -4.69 115.64 109.28 2dmk s THR 115 Ca 0.18 -0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 2dmk s THR 115 Cb -0.09 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.78 2dmk s THR 115 CO 0.09 0.00 0.86 0.20 -0.54 0.00 0.00 174.62 175.23 2dmk s ASN 116 N -4.53 6.53 0.00 3.99 0.01 -1.22 -4.18 114.94 115.55 2dmk s ASN 116 Ca 0.60 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.05 2dmk s ASN 116 Cb -0.09 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.17 2dmk s ASN 116 CO 0.42 -0.50 0.73 -1.20 -1.51 0.00 0.00 177.10 175.04 2dmk n SER 117 N -1.50 0.00 -4.20 -1.22 7.64 -1.26 -3.04 113.62 110.04 2dmk n SER 117 Ca 0.04 0.73 -0.12 0.00 1.01 0.00 0.00 58.87 60.53 2dmk n SER 117 Cb 0.54 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 2dmk n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dmk s GLN 118 N -1.91 0.93 0.88 1.43 -0.21 -1.26 -4.10 119.66 115.43 2dmk s GLN 118 Ca 0.00 -1.40 -0.15 0.00 0.02 0.00 0.00 55.36 53.83 2dmk s GLN 118 Cb 0.00 -0.27 0.22 0.00 1.00 0.00 0.00 33.01 33.96 2dmk s GLN 118 CO 0.00 -0.04 0.78 -0.35 -2.12 0.00 0.00 175.29 173.57 2dmk n PRO 119 N -0.11 -2.55 -1.91 2.91 -0.04 -1.26 -4.75 135.00 127.29 2dmk n PRO 119 Ca -0.10 -1.25 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 2dmk n PRO 119 Cb 0.61 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.88 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 -2.42 2.94 0.01 0.54 0.08 -1.26 -4.98 117.98 112.90 2dmk s PHE 120 Ca 0.51 0.82 -0.24 0.00 0.12 0.00 0.00 56.93 58.14 2dmk s PHE 120 Cb -0.05 -3.94 -0.05 0.00 -0.57 0.00 0.00 43.02 38.41 2dmk s PHE 120 CO 0.39 -3.21 0.74 0.15 -0.10 0.00 0.00 175.22 173.18 2dmk s LYS 121 N 0.01 4.46 -0.55 0.44 1.02 -1.26 -5.03 119.74 118.83 2dmk s LYS 121 Ca 0.64 0.99 -0.06 0.00 0.02 0.00 0.00 55.97 57.56 2dmk s LYS 121 Cb -0.45 -3.38 0.14 0.00 -0.52 0.00 0.00 37.83 33.62 2dmk s LYS 121 CO 0.41 0.23 0.39 -1.12 -0.92 0.00 0.00 175.35 174.35 2dmk s SER 122 N 0.16 5.57 0.00 2.83 0.01 -1.26 -4.85 113.70 116.16 2dmk s SER 122 Ca 0.38 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 55.31 2dmk s SER 122 Cb -0.20 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2dmk s SER 122 CO 0.21 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2dmk n GLY 123 N 4.29 1.47 3.57 3.44 0.00 -1.26 -5.00 105.19 111.70 2dmk n GLY 123 Ca 0.01 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2dmk n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmk s PRO 124 N 0.00 2.53 -0.30 1.61 0.04 -1.26 -4.77 135.00 132.84 2dmk s PRO 124 Ca 0.00 -0.74 -0.16 0.00 0.04 0.00 0.00 61.00 60.14 2dmk s PRO 124 Cb 0.00 -5.16 0.18 0.00 0.04 0.00 0.00 34.50 29.56 2dmk s PRO 124 CO 0.00 -3.69 1.13 -1.54 0.04 0.00 0.00 177.00 172.94 2dmk s SER 125 N 7.24 -0.32 0.18 6.66 1.04 -1.26 -4.99 113.70 122.24 2dmk s SER 125 Ca 0.69 0.31 0.11 0.00 0.48 0.00 0.00 55.95 57.54 2dmk s SER 125 Cb -0.04 1.31 -0.04 0.00 0.10 0.00 0.00 66.02 67.35 2dmk s SER 125 CO 0.06 -0.06 -0.23 -0.94 0.98 0.00 0.00 173.24 173.06 2dmk s SER 126 N 2.60 3.21 0.00 7.02 1.04 -1.26 -5.09 113.70 121.22 2dmk s SER 126 Ca -0.02 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2dmk s SER 126 Cb -0.06 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2dmk s SER 126 CO -0.13 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.79