#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 1.53 -4.04 1.61 2.88 -1.26 -5.10 113.62 109.24 2dmk n SER 2 Ca 0.00 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 2dmk n SER 2 Cb 0.00 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 62.79 2dmk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmk s SER 3 N -5.79 0.10 0.00 -3.46 0.01 -1.26 -5.09 113.70 98.21 2dmk s SER 3 Ca -0.18 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2dmk s SER 3 Cb 0.03 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2dmk s SER 3 CO 0.27 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2dmk n GLY 4 N -0.22 -2.23 2.77 3.44 0.00 -1.26 -5.03 105.19 102.66 2dmk n GLY 4 Ca -0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2dmk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmk s SER 5 N 0.00 3.86 -0.43 1.61 1.04 -1.26 -5.02 113.70 113.50 2dmk s SER 5 Ca 0.00 -3.40 0.02 0.00 0.48 0.00 0.00 55.95 53.05 2dmk s SER 5 Cb 0.00 -1.28 0.13 0.00 0.10 0.00 0.00 66.02 64.96 2dmk s SER 5 CO 0.00 -0.15 0.21 -0.44 0.98 0.00 0.00 173.24 173.84 2dmk s SER 6 N -0.71 3.84 -1.08 7.02 0.01 -1.26 -5.02 113.70 116.49 2dmk s SER 6 Ca 0.24 -2.52 -0.03 0.00 1.31 0.00 0.00 55.95 54.95 2dmk s SER 6 Cb -0.08 -1.12 0.30 0.00 0.21 0.00 0.00 66.02 65.33 2dmk s SER 6 CO -0.13 -0.29 1.64 0.61 0.41 0.00 0.00 173.24 175.49 2dmk n GLY 7 N 3.69 5.47 3.44 3.44 0.00 -1.26 -4.97 105.19 115.00 2dmk n GLY 7 Ca 0.07 -2.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.08 3.15 0.00 1.61 2.12 -1.26 -4.78 118.70 116.46 2dmk s GLU 8 Ca 0.35 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2dmk s GLU 8 Cb 0.10 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.76 2dmk s GLU 8 CO 0.02 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 2dmk n GLY 9 N 5.04 -2.42 3.63 -1.50 0.00 -1.26 -5.11 105.19 103.57 2dmk n GLY 9 Ca -0.12 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.43 4.07 -0.63 0.99 2.01 -1.26 -4.94 118.68 117.49 2dmk s LEU 10 Ca 0.00 0.83 -0.02 0.00 0.01 0.00 0.00 54.13 54.95 2dmk s LEU 10 Cb 0.00 -3.14 0.38 0.00 0.01 0.00 0.00 46.19 43.44 2dmk s LEU 10 CO 0.00 -0.59 2.07 0.47 1.01 0.00 0.00 176.35 179.31 2dmk n ASP 11 N 6.16 7.43 -4.61 2.29 8.00 -1.26 -4.94 116.55 129.63 2dmk n ASP 11 Ca 0.05 -3.65 -0.34 0.00 0.71 0.00 0.00 54.79 51.55 2dmk n ASP 11 Cb 0.48 -1.02 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 2dmk n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2dmk s TYR 12 N -3.44 3.08 0.00 1.24 -0.85 -1.26 -4.97 117.35 111.16 2dmk s TYR 12 Ca 0.57 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 57.14 2dmk s TYR 12 Cb 0.45 -1.84 0.00 0.00 0.38 0.00 0.00 41.96 40.95 2dmk s TYR 12 CO -0.07 0.28 0.11 -0.11 -1.52 0.00 0.00 175.55 174.24 2dmk n LEU 13 N 2.64 0.22 -0.22 -3.49 0.00 -1.26 -4.84 117.00 110.05 2dmk n LEU 13 Ca -0.18 -0.34 0.12 0.00 0.00 0.00 0.00 56.01 55.61 2dmk n LEU 13 Cb 0.53 0.00 0.23 0.00 0.00 0.00 0.00 43.42 44.18 2dmk n LEU 13 CO 0.30 0.06 0.55 1.07 0.00 0.00 0.00 177.39 179.37 2dmk n THR 14 N -0.24 -0.27 -4.10 1.96 5.66 -1.26 -4.23 114.28 111.79 2dmk n THR 14 Ca 0.00 1.39 -0.15 0.00 -3.05 0.00 0.00 64.05 62.25 2dmk n THR 14 Cb 0.06 -2.08 -0.14 0.00 -1.55 0.00 0.00 70.33 66.62 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 -5.40 0.41 0.07 1.79 0.00 -1.26 -3.67 121.76 113.70 2dmk s ALA 15 Ca -0.08 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 2dmk s ALA 15 Cb 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 2dmk s ALA 15 CO 0.50 0.06 1.39 -1.25 0.00 0.00 0.00 175.76 176.46 2dmk s PRO 16 N -0.46 4.31 0.25 0.00 0.04 -1.26 -4.95 135.00 132.92 2dmk s PRO 16 Ca -0.01 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2dmk s PRO 16 Cb -0.04 -3.38 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 2dmk s PRO 16 CO -0.00 -0.48 1.17 0.27 0.04 0.00 0.00 177.00 177.99 2dmk n ASN 17 N 4.48 1.75 -4.71 6.66 6.94 -1.26 -4.29 115.26 124.83 2dmk n ASN 17 Ca 0.12 1.16 -0.42 0.00 -0.02 0.00 0.00 54.58 55.42 2dmk n ASN 17 Cb 0.43 -1.31 -0.03 0.00 -2.36 0.00 0.00 39.78 36.51 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 -0.97 4.32 0.95 -0.53 0.04 -1.26 -4.84 135.00 132.72 2dmk s PRO 18 Ca 0.65 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 2dmk s PRO 18 Cb -0.73 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 30.64 2dmk s PRO 18 CO 0.55 -0.46 1.09 -1.25 0.04 0.00 0.00 177.00 176.98 2dmk s PRO 19 N 1.42 0.79 -0.26 0.56 0.04 -1.26 -4.93 135.00 131.36 2dmk s PRO 19 Ca 0.64 0.66 0.01 0.00 0.04 0.00 0.00 61.00 62.35 2dmk s PRO 19 Cb -0.35 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2dmk s PRO 19 CO 0.29 -2.52 -0.02 -1.12 0.04 0.00 0.00 177.00 173.67 2dmk s SER 20 N -3.43 4.02 -0.12 6.66 0.01 -0.43 -4.81 113.70 115.59 2dmk s SER 20 Ca 0.64 -1.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 2dmk s SER 20 Cb -0.18 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 2dmk s SER 20 CO 0.57 -0.28 1.42 -0.63 0.41 0.00 0.00 173.24 174.73 2dmk s ILE 21 N 1.35 4.01 -0.24 1.44 1.01 -1.26 -0.64 121.20 126.86 2dmk s ILE 21 Ca -0.02 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.68 2dmk s ILE 21 Cb -0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2dmk s ILE 21 CO -0.09 -0.11 0.47 -0.13 0.00 0.00 0.00 174.94 175.08 2dmk s ARG 22 N 3.72 4.11 0.03 2.79 1.81 0.10 -4.95 118.95 126.56 2dmk s ARG 22 Ca 0.62 0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.92 2dmk s ARG 22 Cb -0.26 -3.61 -0.26 0.00 -0.45 0.00 0.00 34.95 30.37 2dmk s ARG 22 CO 0.20 -0.23 0.95 0.93 -0.68 0.00 0.00 175.30 176.48 2dmk h GLU 23 N 7.78 0.17 0.00 3.54 5.08 -1.91 -2.44 114.58 126.79 2dmk h GLU 23 Ca -0.32 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 57.71 2dmk h GLU 23 Cb 1.15 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2dmk h GLU 23 CO 0.71 1.02 -0.20 1.05 -1.00 0.00 0.00 179.01 180.59 2dmk h GLU 24 N 0.05 0.00 0.00 2.33 4.11 -1.96 -2.86 114.58 116.24 2dmk h GLU 24 Ca -0.19 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.01 2dmk h GLU 24 Cb 1.96 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.17 2dmk h GLU 24 CO 0.15 0.20 -1.83 1.28 0.07 0.00 0.00 179.01 178.88 2dmk n LEU 25 N -3.60 0.50 -4.77 3.06 4.77 -1.24 -4.93 117.00 110.79 2dmk n LEU 25 Ca -0.01 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.82 2dmk n LEU 25 Cb 0.34 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2dmk n LEU 25 CO 0.33 0.28 0.81 0.00 -1.33 0.00 0.00 177.39 177.48 2dmk s THR 27 N -1.46 2.39 -0.03 0.00 -4.23 0.15 -4.92 115.64 107.54 2dmk s THR 27 Ca 0.57 -2.30 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2dmk s THR 27 Cb -0.29 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2dmk s THR 27 CO 0.36 -0.34 -0.19 0.00 -0.54 0.00 0.00 174.62 173.90 2dmk s ALA 28 N -2.33 1.65 0.13 3.99 0.00 -1.26 -1.59 121.76 122.36 2dmk s ALA 28 Ca 0.27 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2dmk s ALA 28 Cb -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2dmk s ALA 28 CO 0.13 0.37 -0.07 0.45 0.00 0.00 0.00 175.76 176.64 2dmk s SER 29 N -0.31 1.44 0.02 0.00 0.15 0.32 -4.52 113.70 110.80 2dmk s SER 29 Ca 0.04 -1.04 -0.04 0.00 0.70 0.00 0.00 55.95 55.61 2dmk s SER 29 Cb -0.09 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2dmk s SER 29 CO 0.00 -0.43 0.96 0.00 1.20 0.00 0.00 173.24 174.98 2dmk n HIS 30 N -0.15 -0.05 -1.94 3.44 1.44 -1.26 -2.56 115.22 114.14 2dmk n HIS 30 Ca -0.10 0.15 -0.18 0.00 -2.01 0.00 0.00 57.72 55.58 2dmk n HIS 30 Cb 0.61 -0.46 0.06 0.00 0.12 0.00 0.00 29.99 30.31 2dmk n HIS 30 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2dmk n ASP 31 N -3.20 4.29 -3.47 4.39 8.00 -1.26 -1.71 116.55 123.59 2dmk n ASP 31 Ca 0.00 -3.78 -0.15 0.00 0.71 0.00 0.00 54.79 51.58 2dmk n ASP 31 Cb 0.03 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 2dmk n ASP 31 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dmk s THR 32 N -4.33 0.00 -0.18 -3.53 2.01 -1.06 -0.83 115.64 107.72 2dmk s THR 32 Ca 0.48 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 2dmk s THR 32 Cb 0.40 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.96 2dmk s THR 32 CO 0.02 0.00 0.47 -0.63 -0.69 0.00 0.00 174.62 173.79 2dmk s ILE 33 N -2.49 -0.00 -0.35 1.82 1.01 -1.04 0.12 121.20 120.27 2dmk s ILE 33 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 2dmk s ILE 33 Cb -0.01 -0.67 0.08 0.00 0.01 0.00 0.00 42.46 41.88 2dmk s ILE 33 CO -0.02 0.01 0.08 -0.89 0.00 0.00 0.00 174.94 174.12 2dmk s THR 34 N 0.50 2.96 -0.15 2.92 2.01 -0.62 -1.11 115.64 122.15 2dmk s THR 34 Ca -0.02 -1.79 -0.16 0.00 0.31 0.00 0.00 61.69 60.02 2dmk s THR 34 Cb -0.04 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2dmk s THR 34 CO -0.02 -0.40 0.41 -0.69 -0.69 0.00 0.00 174.62 173.23 2dmk s VAL 35 N 1.15 5.22 -0.20 3.82 1.01 -1.23 -0.68 120.40 129.49 2dmk s VAL 35 Ca 0.02 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 2dmk s VAL 35 Cb -0.21 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2dmk s VAL 35 CO -0.03 0.32 0.00 -1.00 0.00 0.00 0.00 175.10 174.39 2dmk s HIS 36 N 0.78 3.04 -0.06 5.22 3.76 -1.26 -3.05 115.29 123.72 2dmk s HIS 36 Ca 0.22 -0.48 0.04 0.00 -0.15 0.00 0.00 55.06 54.69 2dmk s HIS 36 Cb -0.14 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 2dmk s HIS 36 CO 0.08 -0.26 -0.19 1.67 -0.85 0.00 0.00 174.74 175.19 2dmk s TRP 37 N 1.05 2.60 -0.14 1.40 -2.14 -0.68 0.01 118.94 121.04 2dmk s TRP 37 Ca 0.02 -0.45 -0.04 0.00 2.66 0.00 0.00 56.10 58.30 2dmk s TRP 37 Cb -0.14 -1.64 -0.03 0.00 -3.10 0.00 0.00 33.47 28.55 2dmk s TRP 37 CO 0.02 -0.03 -0.02 -1.50 -2.66 0.00 0.00 176.95 172.76 2dmk s ILE 38 N -0.35 4.08 -0.01 0.66 1.10 0.18 -4.78 121.20 122.08 2dmk s ILE 38 Ca 0.03 -0.30 0.04 0.00 -0.51 0.00 0.00 60.65 59.91 2dmk s ILE 38 Cb -0.12 -2.77 -0.01 0.00 0.15 0.00 0.00 42.46 39.70 2dmk s ILE 38 CO 0.02 0.52 -0.14 -0.94 -2.11 0.00 0.00 174.94 172.29 2dmk s SER 39 N 0.04 1.70 0.22 4.50 1.04 -1.26 -1.32 113.70 118.62 2dmk s SER 39 Ca 0.01 -0.26 0.11 0.00 0.48 0.00 0.00 55.95 56.29 2dmk s SER 39 Cb -0.13 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.78 2dmk s SER 39 CO 0.02 0.17 1.41 -0.78 0.98 0.00 0.00 173.24 175.04 2dmk h ASP 40 N 5.86 0.00 -2.76 7.02 1.82 -1.95 -3.42 116.42 122.99 2dmk h ASP 40 Ca -0.34 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 55.87 2dmk h ASP 40 Cb 1.16 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 40.79 2dmk h ASP 40 CO 0.49 0.73 -0.71 -1.81 -1.61 0.00 0.00 179.24 176.32 2dmk s ASP 41 N -6.60 2.29 -0.15 2.28 1.11 -1.26 -4.99 116.67 109.35 2dmk s ASP 41 Ca 0.02 -0.68 0.17 0.00 0.18 0.00 0.00 52.55 52.24 2dmk s ASP 41 Cb 0.09 -0.02 0.33 0.00 1.07 0.00 0.00 42.92 44.39 2dmk s ASP 41 CO 0.78 -0.37 1.17 -1.84 1.18 0.00 0.00 175.17 176.09 2dmk n GLU 42 N 5.29 1.38 0.06 8.23 0.28 -1.26 -4.69 120.64 129.93 2dmk n GLU 42 Ca -0.06 -2.77 -0.22 0.00 -0.16 0.00 0.00 57.16 53.95 2dmk n GLU 42 Cb 0.47 -1.54 -0.15 0.00 1.43 0.00 0.00 31.44 31.66 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 0.28 0.64 -0.03 -1.84 0.04 -1.99 -3.37 116.94 110.68 2dmk h PHE 43 Ca 0.00 -0.47 -0.21 0.00 2.80 0.00 0.00 57.97 60.09 2dmk h PHE 43 Cb 1.01 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 39.15 2dmk h PHE 43 CO 0.20 1.55 -0.82 1.03 -0.60 0.00 0.00 178.31 179.68 2dmk h SER 44 N -0.12 0.77 -1.07 2.17 0.87 -1.99 -3.44 113.55 110.74 2dmk h SER 44 Ca -0.28 -0.72 -0.69 0.00 -1.23 0.00 0.00 61.79 58.87 2dmk h SER 44 Cb 1.91 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 2dmk h SER 44 CO 0.15 1.39 1.31 -0.38 -0.53 0.00 0.00 176.83 178.77 2dmk n ILE 45 N -4.02 0.20 -0.07 2.23 5.41 -1.26 -4.59 119.36 117.26 2dmk n ILE 45 Ca -0.10 -0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.42 2dmk n ILE 45 Cb 0.77 -1.45 0.18 0.00 -0.71 0.00 0.00 39.64 38.43 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 11.02 0.68 -4.53 4.38 0.87 -1.53 -3.46 113.55 120.97 2dmk h SER 46 Ca -0.29 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.19 2dmk h SER 46 Cb 1.33 -0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 62.93 2dmk h SER 46 CO 1.02 0.78 0.49 -0.94 -0.53 0.00 0.00 176.83 177.64 2dmk s SER 47 N -6.68 -0.38 0.16 6.23 1.04 -1.20 -5.05 113.70 107.82 2dmk s SER 47 Ca -0.09 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.52 2dmk s SER 47 Cb 0.15 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2dmk s SER 47 CO 0.80 -0.55 0.26 -0.31 0.98 0.00 0.00 173.24 174.42 2dmk s TYR 48 N -2.50 3.41 -0.04 5.02 2.02 -0.65 -2.89 117.35 121.73 2dmk s TYR 48 Ca 0.02 0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2dmk s TYR 48 Cb -0.01 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 2dmk s TYR 48 CO -0.05 0.51 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.32 2dmk s GLU 49 N -3.29 1.33 -0.12 -0.62 2.56 -1.14 -3.52 118.70 113.90 2dmk s GLU 49 Ca 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 54.97 54.86 2dmk s GLU 49 Cb -0.11 -1.18 -0.03 0.00 2.00 0.00 0.00 34.13 34.81 2dmk s GLU 49 CO 0.28 0.14 0.00 -1.17 -0.56 0.00 0.00 175.26 173.95 2dmk s LEU 50 N 0.22 3.53 -0.14 2.70 2.96 -1.25 -2.23 118.68 124.47 2dmk s LEU 50 Ca -0.05 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2dmk s LEU 50 Cb -0.11 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.79 2dmk s LEU 50 CO 0.01 0.29 -0.03 -1.10 -1.32 0.00 0.00 176.35 174.20 2dmk s GLN 51 N -0.37 1.17 0.01 1.98 -0.21 -1.11 -2.76 119.66 118.38 2dmk s GLN 51 Ca 0.07 -0.32 -0.00 0.00 0.02 0.00 0.00 55.36 55.13 2dmk s GLN 51 Cb -0.12 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 32.16 2dmk s GLN 51 CO 0.02 -0.40 -0.02 1.52 -2.12 0.00 0.00 175.29 174.29 2dmk s TYR 52 N 1.75 0.16 -0.20 0.91 1.13 -1.17 -0.07 117.35 119.87 2dmk s TYR 52 Ca 0.02 -0.33 -0.18 0.00 -1.41 0.00 0.00 57.07 55.18 2dmk s TYR 52 Cb -0.14 -0.12 0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2dmk s TYR 52 CO -0.07 -0.12 0.52 -0.08 -2.51 0.00 0.00 175.55 173.29 2dmk s THR 53 N -0.93 -0.00 -0.29 -3.49 -1.32 -1.12 -2.84 115.64 105.64 2dmk s THR 53 Ca -0.10 0.01 -0.28 0.00 -1.21 0.00 0.00 61.69 60.10 2dmk s THR 53 Cb -0.06 -0.73 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2dmk s THR 53 CO -0.01 0.00 2.27 -0.38 -2.21 0.00 0.00 174.62 174.30 2dmk n ILE 54 N 2.93 0.24 -1.88 5.08 5.41 -1.26 -2.86 119.36 127.01 2dmk n ILE 54 Ca -0.14 -0.52 -0.40 0.00 1.00 0.00 0.00 62.75 62.68 2dmk n ILE 54 Cb 0.56 -2.56 -0.03 0.00 -0.71 0.00 0.00 39.64 36.91 2dmk n ILE 54 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2dmk s PHE 55 N 9.13 1.55 0.00 1.39 5.36 -1.09 -4.66 117.98 129.65 2dmk s PHE 55 Ca 1.01 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 2dmk s PHE 55 Cb -0.34 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.35 2dmk s PHE 55 CO 0.34 -2.85 0.00 0.25 -1.46 0.00 0.00 175.22 171.51 2dmk n THR 56 N 7.51 0.00 0.00 0.12 -2.24 -1.26 -4.65 114.28 113.76 2dmk n THR 56 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2dmk n THR 56 Cb 0.49 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 2.50 0.74 1.90 3.38 0.00 -1.26 -4.95 105.19 107.49 2dmk n GLY 57 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.91 -3.15 1.61 7.27 -1.26 -4.74 117.38 115.20 2dmk n GLN 58 Ca 0.00 0.23 0.06 0.00 0.07 0.00 0.00 57.00 57.36 2dmk n GLN 58 Cb 0.00 -4.53 -0.01 0.00 2.41 0.00 0.00 30.24 28.10 2dmk n GLN 58 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dmk s ALA 59 N -1.78 -4.20 -0.18 1.69 0.00 -1.26 -5.02 121.76 111.01 2dmk s ALA 59 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2dmk s ALA 59 Cb 0.00 -2.75 -0.13 0.00 0.00 0.00 0.00 23.12 20.24 2dmk s ALA 59 CO 0.00 -1.74 0.91 0.09 0.00 0.00 0.00 175.76 175.02 2dmk n ASN 60 N 5.33 0.44 -0.20 0.00 4.13 -1.26 -3.78 115.26 119.92 2dmk n ASN 60 Ca -0.03 0.79 0.02 0.00 1.68 0.00 0.00 54.58 57.04 2dmk n ASN 60 Cb 0.56 -0.60 0.06 0.00 -1.54 0.00 0.00 39.78 38.26 2dmk n ASN 60 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2dmk n PHE 61 N 1.91 0.13 0.13 3.10 7.35 -1.26 0.18 117.46 129.00 2dmk n PHE 61 Ca 0.17 0.65 -0.13 0.00 -0.76 0.00 0.00 57.45 57.39 2dmk n PHE 61 Cb 0.00 -0.77 -0.06 0.00 0.35 0.00 0.00 39.48 38.99 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 0.66 0.99 -2.13 1.08 -1.98 0.17 117.51 116.31 2dmk h ILE 62 Ca 0.23 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.65 2dmk h ILE 62 Cb 0.37 0.66 0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2dmk h ILE 62 CO -0.54 0.00 -0.49 -1.28 -0.69 0.00 0.00 178.15 175.15 2dmk h SER 63 N -0.35 -1.17 -0.98 1.72 0.87 0.15 0.38 113.55 114.17 2dmk h SER 63 Ca -0.00 0.04 0.20 0.00 -1.23 0.00 0.00 61.79 60.80 2dmk h SER 63 Cb 0.32 0.31 -0.09 0.00 -0.44 0.00 0.00 62.40 62.50 2dmk h SER 63 CO -0.03 -0.82 0.62 0.25 -0.53 0.00 0.00 176.83 176.31 2dmk h LEU 64 N -1.35 0.66 -0.53 2.23 5.85 -0.68 0.26 115.31 121.75 2dmk h LEU 64 Ca -0.14 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 2dmk h LEU 64 Cb 1.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2dmk h LEU 64 CO 0.21 0.23 -0.73 0.22 -0.34 0.00 0.00 178.44 178.03 2dmk h TYR 65 N 0.64 0.02 0.72 1.25 3.20 -0.36 -3.31 116.97 119.13 2dmk h TYR 65 Ca 0.55 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.38 2dmk h TYR 65 Cb 1.03 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.30 2dmk h TYR 65 CO -0.00 0.74 -0.35 -0.91 -1.64 0.00 0.00 178.16 176.00 2dmk h ASN 66 N 0.01 -0.83 -0.02 -2.11 -0.26 0.34 -2.88 115.58 109.82 2dmk h ASN 66 Ca -0.01 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.62 2dmk h ASN 66 Cb 1.30 0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 38.72 2dmk h ASN 66 CO 0.10 -0.59 -0.25 -1.20 -1.06 0.00 0.00 177.43 174.42 2dmk n SER 67 N -5.51 5.31 0.27 5.81 7.64 -0.96 -4.56 113.62 121.61 2dmk n SER 67 Ca -0.14 -2.48 0.08 0.00 1.01 0.00 0.00 58.87 57.35 2dmk n SER 67 Cb 0.39 -1.33 0.45 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.69 0.00 -1.55 0.44 3.04 -1.64 -1.70 116.25 116.52 2dmk h VAL 68 Ca 0.14 0.00 0.46 0.00 -1.01 0.00 0.00 66.70 66.28 2dmk h VAL 68 Cb 1.34 0.37 -0.08 0.00 -2.01 0.00 0.00 31.29 30.91 2dmk h VAL 68 CO 0.18 0.00 1.10 -0.78 -1.01 0.00 0.00 177.57 177.06 2dmk h ASP 69 N 0.00 0.06 0.13 3.17 1.82 -1.89 0.55 116.42 120.26 2dmk h ASP 69 Ca 0.00 0.03 -0.19 0.00 -0.39 0.00 0.00 57.03 56.47 2dmk h ASP 69 Cb 0.97 0.02 0.02 0.00 0.68 0.00 0.00 39.33 41.02 2dmk h ASP 69 CO 0.00 -0.02 -0.84 0.28 -1.61 0.00 0.00 179.24 177.04 2dmk h SER 70 N 0.03 0.51 -1.64 2.28 0.02 -1.68 -3.47 113.55 109.60 2dmk h SER 70 Ca 0.77 -0.93 -0.47 0.00 -0.84 0.00 0.00 61.79 60.32 2dmk h SER 70 Cb 2.95 -0.16 0.17 0.00 0.14 0.00 0.00 62.40 65.50 2dmk h SER 70 CO -0.09 1.40 -1.24 0.79 -1.14 0.00 0.00 176.83 176.56 2dmk n TRP 71 N -4.10 -3.33 -3.14 3.45 7.02 0.19 -4.89 117.44 112.64 2dmk n TRP 71 Ca -0.14 0.17 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 2dmk n TRP 71 Cb 0.83 -1.28 -0.06 0.00 -2.42 0.00 0.00 31.31 28.38 2dmk n TRP 71 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 2dmk s MET 72 N -1.23 4.16 -0.06 -0.99 1.75 -1.13 -5.00 119.30 116.81 2dmk s MET 72 Ca 0.40 0.78 -0.05 0.00 -1.25 0.00 0.00 55.69 55.57 2dmk s MET 72 Cb -0.28 -2.77 0.02 0.00 2.84 0.00 0.00 34.83 34.64 2dmk s MET 72 CO 0.61 0.34 0.15 0.42 -0.65 0.00 0.00 175.02 175.90 2dmk s ILE 73 N -1.63 -0.01 -0.37 10.11 1.09 -1.26 -3.05 121.20 126.09 2dmk s ILE 73 Ca 0.45 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 60.04 2dmk s ILE 73 Cb -0.15 -0.22 0.11 0.00 -1.06 0.00 0.00 42.46 41.14 2dmk s ILE 73 CO 0.20 0.01 0.14 -0.69 -0.10 0.00 0.00 174.94 174.50 2dmk s VAL 74 N 0.22 1.35 1.25 2.92 1.01 -1.11 -5.00 120.40 121.04 2dmk s VAL 74 Ca -0.01 -2.01 -0.21 0.00 0.00 0.00 0.00 61.98 59.75 2dmk s VAL 74 Cb -0.02 -1.99 0.31 0.00 0.00 0.00 0.00 36.38 34.68 2dmk s VAL 74 CO -0.01 -0.74 1.11 -0.81 0.00 0.00 0.00 175.10 174.65 2dmk n PRO 75 N 4.26 -3.19 -3.06 2.72 -0.04 -1.26 -3.90 135.00 130.52 2dmk n PRO 75 Ca 0.03 -1.78 -0.13 0.00 -0.04 0.00 0.00 63.50 61.58 2dmk n PRO 75 Cb 0.39 -1.67 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2dmk n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmk n ASN 76 N -4.91 -3.70 -4.20 3.54 3.02 -1.26 -5.01 115.26 102.75 2dmk n ASN 76 Ca 0.15 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.81 2dmk n ASN 76 Cb 0.60 -4.31 -0.13 0.00 -0.61 0.00 0.00 39.78 35.33 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 -3.30 3.14 -0.33 2.41 1.01 -1.23 -4.97 121.20 117.93 2dmk s ILE 77 Ca 0.17 -1.29 0.08 0.00 0.00 0.00 0.00 60.65 59.61 2dmk s ILE 77 Cb -0.02 -2.77 0.45 0.00 0.01 0.00 0.00 42.46 40.13 2dmk s ILE 77 CO 0.60 -0.08 1.15 0.29 0.00 0.00 0.00 174.94 176.90 2dmk n LYS 78 N 4.67 3.33 -4.09 2.79 4.76 -1.26 -1.64 118.16 126.71 2dmk n LYS 78 Ca -0.13 -4.17 -0.09 0.00 -2.87 0.00 0.00 58.31 51.04 2dmk n LYS 78 Cb 0.44 -2.18 -0.09 0.00 -1.84 0.00 0.00 35.03 31.35 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 -3.58 0.88 -0.04 1.97 -2.07 -1.26 -5.03 119.66 110.52 2dmk s GLN 79 Ca 0.47 -1.32 0.10 0.00 -1.82 0.00 0.00 55.36 52.79 2dmk s GLN 79 Cb 0.40 0.26 0.35 0.00 -1.09 0.00 0.00 33.01 32.93 2dmk s GLN 79 CO -0.03 -0.25 1.22 0.09 -1.32 0.00 0.00 175.29 175.00 2dmk n ASN 80 N -0.06 2.44 -3.42 12.60 4.13 -1.26 -4.78 115.26 124.91 2dmk n ASN 80 Ca -0.08 -2.16 0.01 0.00 1.68 0.00 0.00 54.58 54.03 2dmk n ASN 80 Cb 0.63 -0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 38.46 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 -1.63 -0.54 -0.15 3.10 -3.43 -1.26 -1.69 115.29 109.68 2dmk s HIS 81 Ca 0.25 0.97 -0.00 0.00 -0.80 0.00 0.00 55.06 55.48 2dmk s HIS 81 Cb 0.15 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 2dmk s HIS 81 CO 0.14 -0.27 -0.14 -0.47 -2.00 0.00 0.00 174.74 172.00 2dmk s TYR 82 N 2.14 2.80 -0.31 0.38 6.14 -1.17 -4.95 117.35 122.37 2dmk s TYR 82 Ca -0.03 -0.92 -0.21 0.00 0.64 0.00 0.00 57.07 56.55 2dmk s TYR 82 Cb -0.05 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.44 2dmk s TYR 82 CO -0.16 -0.40 0.68 0.99 0.64 0.00 0.00 175.55 177.29 2dmk s THR 83 N 0.71 4.90 -0.41 4.34 2.01 -1.26 -3.48 115.64 122.44 2dmk s THR 83 Ca -0.07 0.95 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 2dmk s THR 83 Cb -0.15 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2dmk s THR 83 CO 0.02 -0.17 0.65 -0.69 -0.69 0.00 0.00 174.62 173.74 2dmk s VAL 84 N 2.71 4.84 0.14 3.82 1.01 -0.27 -4.93 120.40 127.72 2dmk s VAL 84 Ca 0.27 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 2dmk s VAL 84 Cb -0.15 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2dmk s VAL 84 CO 0.12 -0.49 0.38 -1.00 0.00 0.00 0.00 175.10 174.11 2dmk s HIS 85 N 2.82 3.48 0.00 5.22 3.76 -1.26 -2.50 115.29 126.80 2dmk s HIS 85 Ca 0.24 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2dmk s HIS 85 Cb -0.14 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2dmk s HIS 85 CO 0.18 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 2dmk n GLY 86 N 0.15 0.88 1.97 -2.22 0.00 -0.48 -4.99 105.19 100.50 2dmk n GLY 86 Ca -0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.32 0.00 -4.54 0.99 4.77 -0.01 -4.99 117.00 112.90 2dmk n LEU 87 Ca 0.00 -1.27 -0.34 0.00 -0.03 0.00 0.00 56.01 54.37 2dmk n LEU 87 Cb 0.27 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 2dmk n LEU 87 CO 0.00 -0.60 -0.37 -1.10 -1.33 0.00 0.00 177.39 173.99 2dmk s GLN 88 N -3.32 3.10 0.17 3.23 -1.52 -1.26 -4.42 119.66 115.65 2dmk s GLN 88 Ca 0.30 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 2dmk s GLN 88 Cb -0.02 -2.71 -0.08 0.00 -0.22 0.00 0.00 33.01 29.98 2dmk s GLN 88 CO 0.19 0.50 1.19 -1.12 -0.25 0.00 0.00 175.29 175.80 2dmk s SER 89 N -0.36 7.10 -1.03 5.90 0.01 -0.70 -3.83 113.70 120.81 2dmk s SER 89 Ca 0.05 2.19 -0.06 0.00 1.31 0.00 0.00 55.95 59.45 2dmk s SER 89 Cb -0.12 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 2dmk s SER 89 CO 0.02 -0.37 0.90 0.61 0.41 0.00 0.00 173.24 174.82 2dmk n GLY 90 N 2.31 -1.15 3.30 3.44 0.00 -0.31 -4.95 105.19 107.84 2dmk n GLY 90 Ca 0.05 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.37 0.02 0.45 2.61 2.01 -1.25 -4.94 115.64 111.16 2dmk s THR 91 Ca 0.44 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 2dmk s THR 91 Cb -0.06 -0.63 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 2dmk s THR 91 CO 0.73 -0.10 1.12 -0.13 -0.69 0.00 0.00 174.62 175.55 2dmk s ARG 92 N -0.48 3.87 -0.16 4.92 0.52 -1.26 -3.01 118.95 123.35 2dmk s ARG 92 Ca -0.06 1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 56.76 2dmk s ARG 92 Cb -0.03 -2.41 0.08 0.00 0.52 0.00 0.00 34.95 33.11 2dmk s ARG 92 CO 0.03 -0.43 0.27 0.71 0.02 0.00 0.00 175.30 175.90 2dmk s TYR 93 N -1.62 -0.45 -0.29 -0.53 2.02 0.14 -2.69 117.35 113.93 2dmk s TYR 93 Ca 0.62 0.81 -0.19 0.00 -0.37 0.00 0.00 57.07 57.94 2dmk s TYR 93 Cb -0.25 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 2dmk s TYR 93 CO 0.31 -0.46 0.57 0.42 -1.57 0.00 0.00 175.55 174.82 2dmk s ILE 94 N 2.42 5.01 -0.08 2.71 1.01 -1.14 -1.34 121.20 129.79 2dmk s ILE 94 Ca 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2dmk s ILE 94 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2dmk s ILE 94 CO -0.10 -0.04 -0.02 -0.36 0.00 0.00 0.00 174.94 174.42 2dmk s PHE 95 N 2.45 3.10 -0.24 3.97 0.40 -0.92 -2.81 117.98 123.94 2dmk s PHE 95 Ca 0.23 0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.67 2dmk s PHE 95 Cb -0.15 -1.77 0.10 0.00 0.51 0.00 0.00 43.02 41.71 2dmk s PHE 95 CO 0.11 0.43 0.21 0.42 0.70 0.00 0.00 175.22 177.09 2dmk s ILE 96 N -0.86 -0.27 0.10 0.64 1.01 0.90 -1.50 121.20 121.22 2dmk s ILE 96 Ca 0.13 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 2dmk s ILE 96 Cb -0.11 -0.79 -0.06 0.00 0.01 0.00 0.00 42.46 41.50 2dmk s ILE 96 CO 0.02 -0.37 0.81 -0.69 0.00 0.00 0.00 174.94 174.71 2dmk s VAL 97 N 2.27 4.55 -0.17 2.92 1.01 -1.26 -2.74 120.40 126.98 2dmk s VAL 97 Ca 0.07 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 2dmk s VAL 97 Cb -0.15 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2dmk s VAL 97 CO -0.21 0.41 -0.01 -0.75 0.00 0.00 0.00 175.10 174.54 2dmk s LYS 98 N -0.43 1.00 0.37 2.72 2.20 -0.95 -1.38 119.74 123.27 2dmk s LYS 98 Ca 0.39 -0.42 -0.25 0.00 -0.36 0.00 0.00 55.97 55.34 2dmk s LYS 98 Cb -0.22 -1.93 -0.09 0.00 -1.51 0.00 0.00 37.83 34.08 2dmk s LYS 98 CO 0.26 -0.51 1.05 0.00 -0.36 0.00 0.00 175.35 175.78 2dmk s ALA 99 N 1.76 3.14 -0.03 3.13 0.00 -0.80 -2.86 121.76 126.10 2dmk s ALA 99 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2dmk s ALA 99 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2dmk s ALA 99 CO -0.07 -0.17 -0.09 0.42 0.00 0.00 0.00 175.76 175.84 2dmk s ILE 100 N -1.58 0.83 0.19 0.00 1.01 -1.14 -1.54 121.20 118.96 2dmk s ILE 100 Ca 0.55 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 2dmk s ILE 100 Cb -0.23 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 2dmk s ILE 100 CO 0.29 0.26 0.27 0.54 0.00 0.00 0.00 174.94 176.30 2dmk s ASN 101 N 0.25 0.06 0.38 3.58 4.22 0.26 -1.41 114.94 122.28 2dmk s ASN 101 Ca -0.04 -1.04 0.21 0.00 -2.14 0.00 0.00 52.86 49.85 2dmk s ASN 101 Cb -0.09 0.44 1.29 0.00 1.28 0.00 0.00 41.25 44.17 2dmk s ASN 101 CO 0.01 -0.92 1.62 -0.61 -2.04 0.00 0.00 177.10 175.15 2dmk h GLN 102 N 2.53 0.12 0.00 3.55 4.15 -1.97 -2.06 115.11 121.43 2dmk h GLN 102 Ca -0.32 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2dmk h GLN 102 Cb 1.24 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2dmk h GLN 102 CO 0.47 0.08 0.00 0.00 -1.93 0.00 0.00 178.83 177.46 2dmk n ALA 103 N -2.34 -0.31 -2.00 3.38 0.00 -1.26 -5.05 120.51 112.93 2dmk n ALA 103 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2dmk n ALA 103 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.68 2dmk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmk n GLY 104 N -0.09 3.37 3.39 0.00 0.00 -0.78 -4.94 105.19 106.14 2dmk n GLY 104 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2dmk n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmk s SER 105 N 2.00 -0.43 -0.05 1.61 0.01 -1.26 -0.58 113.70 115.00 2dmk s SER 105 Ca 0.00 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2dmk s SER 105 Cb 0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.71 2dmk s SER 105 CO 0.00 -0.61 -0.02 -0.60 0.41 0.00 0.00 173.24 172.42 2dmk s ARG 106 N -1.78 0.69 -0.09 12.44 6.06 -0.59 -4.76 118.95 130.92 2dmk s ARG 106 Ca -0.09 -0.01 -0.14 0.00 -2.50 0.00 0.00 55.73 53.00 2dmk s ARG 106 Cb -0.02 -0.86 -0.05 0.00 0.06 0.00 0.00 34.95 34.09 2dmk s ARG 106 CO 0.03 -0.17 0.34 -0.80 -2.50 0.00 0.00 175.30 172.20 2dmk s ASN 107 N 1.33 6.59 0.83 -2.12 -0.87 -1.26 -1.91 114.94 117.54 2dmk s ASN 107 Ca -0.05 0.70 -0.08 0.00 -1.57 0.00 0.00 52.86 51.86 2dmk s ASN 107 Cb -0.13 -2.21 0.15 0.00 -0.02 0.00 0.00 41.25 39.04 2dmk s ASN 107 CO -0.02 0.21 1.15 -0.94 -2.57 0.00 0.00 177.10 174.92 2dmk s SER 108 N -0.25 3.82 0.52 -1.22 1.04 -0.48 -4.97 113.70 112.16 2dmk s SER 108 Ca 0.20 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 2dmk s SER 108 Cb -0.14 -0.26 -0.07 0.00 0.10 0.00 0.00 66.02 65.64 2dmk s SER 108 CO 0.08 -2.24 1.04 -1.61 0.98 0.00 0.00 173.24 171.49 2dmk s GLU 109 N -5.50 3.68 -0.04 4.02 0.41 -1.26 -4.77 118.70 115.24 2dmk s GLU 109 Ca 0.69 1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 56.25 2dmk s GLU 109 Cb -0.05 -2.08 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 2dmk s GLU 109 CO 0.48 -0.52 1.48 -1.25 -0.49 0.00 0.00 175.26 174.96 2dmk s PRO 110 N -3.49 4.23 -0.40 0.39 0.04 -1.26 -4.71 135.00 129.80 2dmk s PRO 110 Ca 0.66 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2dmk s PRO 110 Cb -0.16 -3.76 0.05 0.00 0.04 0.00 0.00 34.50 30.68 2dmk s PRO 110 CO 0.25 -0.71 0.24 0.99 0.04 0.00 0.00 177.00 177.81 2dmk s THR 111 N 3.20 4.41 -0.15 1.26 2.01 -0.56 -4.94 115.64 120.87 2dmk s THR 111 Ca 0.66 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 2dmk s THR 111 Cb -0.31 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2dmk s THR 111 CO 0.26 -0.38 1.32 -0.13 -0.69 0.00 0.00 174.62 175.00 2dmk s ARG 112 N 1.49 4.23 0.20 4.92 0.52 -1.26 -2.16 118.95 126.89 2dmk s ARG 112 Ca 0.02 1.75 0.07 0.00 -0.52 0.00 0.00 55.73 57.04 2dmk s ARG 112 Cb -0.21 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 2dmk s ARG 112 CO 0.04 -0.72 -0.11 -0.51 0.02 0.00 0.00 175.30 174.02 2dmk s LEU 113 N 3.56 2.51 0.04 2.53 1.43 -0.45 -4.97 118.68 123.33 2dmk s LEU 113 Ca 0.58 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2dmk s LEU 113 Cb -0.24 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2dmk s LEU 113 CO 0.17 -0.25 -0.08 -0.54 0.23 0.00 0.00 176.35 175.87 2dmk s LYS 114 N -3.70 0.55 0.46 1.70 -0.14 -1.26 0.26 119.74 117.61 2dmk s LYS 114 Ca 0.22 -0.78 0.03 0.00 -1.36 0.00 0.00 55.97 54.09 2dmk s LYS 114 Cb 0.01 -0.33 0.01 0.00 -1.68 0.00 0.00 37.83 35.84 2dmk s LYS 114 CO 0.06 0.06 0.66 0.95 -0.76 0.00 0.00 175.35 176.32 2dmk s THR 115 N -1.39 3.35 0.78 2.17 -4.23 -1.16 -4.72 115.64 110.44 2dmk s THR 115 Ca -0.09 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.57 2dmk s THR 115 Cb -0.10 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.59 2dmk s THR 115 CO 0.01 -0.12 1.09 0.20 -0.54 0.00 0.00 174.62 175.25 2dmk s ASN 116 N -4.31 4.66 0.00 3.99 0.01 -1.26 -3.79 114.94 114.24 2dmk s ASN 116 Ca 0.52 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 2dmk s ASN 116 Cb -0.10 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.35 2dmk s ASN 116 CO 0.36 -1.88 0.96 -0.24 -1.51 0.00 0.00 177.10 174.79 2dmk n SER 117 N -3.39 0.00 -4.15 -1.22 2.88 -1.26 -1.16 113.62 105.32 2dmk n SER 117 Ca 0.07 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.46 2dmk n SER 117 Cb 0.55 -0.46 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 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 -2.82 0.77 -0.01 -1.46 -0.21 -1.26 -4.10 119.66 110.57 2dmk s GLN 118 Ca 0.00 -1.24 -0.15 0.00 0.02 0.00 0.00 55.36 53.99 2dmk s GLN 118 Cb 0.00 -0.19 -0.08 0.00 1.00 0.00 0.00 33.01 33.73 2dmk s GLN 118 CO 0.00 -0.01 0.73 -1.00 -2.12 0.00 0.00 175.29 172.89 2dmk h PRO 119 N 3.22 -0.52 -5.98 2.91 0.13 -1.96 -3.45 132.00 126.35 2dmk h PRO 119 Ca -0.35 0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 2dmk h PRO 119 Cb 1.17 0.12 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 2dmk h PRO 119 CO 0.61 -0.34 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.21 2dmk s PHE 120 N -3.40 2.01 -0.26 1.56 0.08 -1.26 -5.04 117.98 111.67 2dmk s PHE 120 Ca -0.08 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.56 2dmk s PHE 120 Cb 0.01 -0.92 0.06 0.00 -0.57 0.00 0.00 43.02 41.59 2dmk s PHE 120 CO 0.24 0.51 -0.11 0.21 -0.10 0.00 0.00 175.22 175.97 2dmk s LYS 121 N -3.34 2.32 0.17 0.44 2.36 -1.26 -5.09 119.74 115.34 2dmk s LYS 121 Ca 0.24 -1.30 -0.19 0.00 -2.55 0.00 0.00 55.97 52.17 2dmk s LYS 121 Cb -0.04 -2.89 -0.12 0.00 -1.05 0.00 0.00 37.83 33.73 2dmk s LYS 121 CO 0.10 -0.55 0.32 0.43 1.55 0.00 0.00 175.35 177.20 2dmk n SER 122 N 4.46 -1.10 -4.05 1.43 7.64 -1.26 -4.93 113.62 115.82 2dmk n SER 122 Ca -0.14 0.77 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 2dmk n SER 122 Cb 0.43 -0.67 -0.16 0.00 -1.01 0.00 0.00 64.21 62.80 2dmk n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmk s GLY 123 N -0.72 1.26 0.00 0.23 0.00 -1.26 -4.98 107.32 101.85 2dmk s GLY 123 Ca 0.45 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 44.14 2dmk s GLY 123 CO 0.41 0.49 0.87 -1.55 0.00 0.00 0.00 173.10 173.32 2dmk n PRO 124 N 4.69 0.49 -4.23 2.90 -0.04 -1.26 -4.73 135.00 132.82 2dmk n PRO 124 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2dmk n PRO 124 Cb 0.49 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2dmk n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmk s SER 125 N -1.73 0.71 -0.51 3.54 0.01 -1.26 -5.12 113.70 109.34 2dmk s SER 125 Ca 0.10 -1.29 -0.06 0.00 1.31 0.00 0.00 55.95 56.01 2dmk s SER 125 Cb 0.05 0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.65 2dmk s SER 125 CO 0.08 -0.72 0.34 -0.55 0.41 0.00 0.00 173.24 172.80 2dmk s SER 126 N -3.18 5.49 0.00 2.44 0.15 -1.26 -5.20 113.70 112.14 2dmk s SER 126 Ca 0.32 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.73 2dmk s SER 126 Cb 0.07 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2dmk s SER 126 CO 0.08 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.58