#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsg s LEU 2 N 0.00 3.67 -0.04 2.61 0.20 -1.26 -4.81 118.68 119.05 2gsg s LEU 2 Ca 0.00 1.58 -0.01 0.00 0.69 0.00 0.00 54.13 56.39 2gsg s LEU 2 Cb 0.00 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.26 2gsg s LEU 2 CO 0.00 -1.57 0.08 -0.69 -0.29 0.00 0.00 176.35 173.88 2gsg s VAL 3 N 6.43 -0.05 -0.16 1.68 1.01 -1.26 -4.95 120.40 123.11 2gsg s VAL 3 Ca 0.81 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 2gsg s VAL 3 Cb -0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2gsg s VAL 3 CO 0.33 0.07 0.12 -0.76 0.00 0.00 0.00 175.10 174.86 2gsg s LEU 4 N 0.99 4.20 -0.06 3.92 1.43 -1.26 -2.10 118.68 125.80 2gsg s LEU 4 Ca -0.08 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2gsg s LEU 4 Cb -0.11 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 2gsg s LEU 4 CO -0.04 0.29 -0.21 -0.89 0.23 0.00 0.00 176.35 175.72 2gsg s THR 5 N -0.28 1.80 -0.08 5.49 2.01 -0.70 -4.43 115.64 119.45 2gsg s THR 5 Ca 0.11 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2gsg s THR 5 Cb -0.12 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2gsg s THR 5 CO 0.01 0.50 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.22 2gsg s GLN 6 N 0.06 2.80 1.03 4.92 -0.21 -1.26 -0.61 119.66 126.39 2gsg s GLN 6 Ca -0.08 -0.66 -0.17 0.00 0.02 0.00 0.00 55.36 54.47 2gsg s GLN 6 Cb -0.14 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.38 2gsg s GLN 6 CO 0.04 0.52 -0.15 -1.13 -2.12 0.00 0.00 175.29 172.45 2gsg n SER 7 N 2.62 -2.83 -4.89 5.90 3.41 -0.08 -4.92 113.62 112.84 2gsg n SER 7 Ca -0.18 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 2gsg n SER 7 Cb 0.52 -0.96 0.05 0.00 -0.26 0.00 0.00 64.21 63.56 2gsg n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2gsg s SER 8 N -1.69 5.42 -0.50 4.04 0.01 -1.26 -4.77 113.70 114.95 2gsg s SER 8 Ca 0.52 1.10 -0.30 0.00 1.31 0.00 0.00 55.95 58.58 2gsg s SER 8 Cb -0.13 -1.89 -0.11 0.00 0.21 0.00 0.00 66.02 64.10 2gsg s SER 8 CO 0.69 -1.35 2.37 -1.20 0.41 0.00 0.00 173.24 174.16 2gsg n SER 9 N -3.00 2.01 -4.57 2.44 7.64 -1.26 -4.88 113.62 111.99 2gsg n SER 9 Ca 0.07 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.68 2gsg n SER 9 Cb 0.57 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 62.31 2gsg n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gsg s ALA 10 N 9.56 3.03 0.09 -0.43 0.00 -1.23 -5.02 121.76 127.77 2gsg s ALA 10 Ca 1.09 -2.18 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2gsg s ALA 10 Cb -0.61 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2gsg s ALA 10 CO 0.39 -0.00 -0.15 -1.12 0.00 0.00 0.00 175.76 174.87 2gsg s SER 11 N -3.65 1.93 0.27 0.00 0.01 -1.26 -2.38 113.70 108.63 2gsg s SER 11 Ca 0.33 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 56.97 2gsg s SER 11 Cb 0.06 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2gsg s SER 11 CO 0.17 -0.07 0.23 0.49 0.41 0.00 0.00 173.24 174.46 2gsg n PHE 12 N 1.02 -0.62 -4.38 2.43 3.01 -1.13 -5.00 117.46 112.79 2gsg n PHE 12 Ca -0.19 -2.28 -0.31 0.00 1.01 0.00 0.00 57.45 55.68 2gsg n PHE 12 Cb 0.55 0.23 -0.04 0.00 -0.01 0.00 0.00 39.48 40.21 2gsg n PHE 12 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2gsg s SER 13 N -2.90 4.37 0.34 4.37 0.01 -1.26 -4.65 113.70 113.99 2gsg s SER 13 Ca 0.32 -1.52 -0.18 0.00 1.31 0.00 0.00 55.95 55.89 2gsg s SER 13 Cb 0.02 0.62 -0.10 0.00 0.21 0.00 0.00 66.02 66.77 2gsg s SER 13 CO 0.23 -1.04 0.81 -0.22 0.41 0.00 0.00 173.24 173.42 2gsg s LEU 14 N -4.10 4.07 0.00 2.44 0.20 -1.26 -3.27 118.68 116.76 2gsg s LEU 14 Ca 0.15 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.41 2gsg s LEU 14 Cb -0.01 -4.16 0.00 0.00 -0.43 0.00 0.00 46.19 41.58 2gsg s LEU 14 CO 0.10 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.55 2gsg n GLY 15 N -0.30 2.71 3.56 7.98 0.00 -0.89 -4.83 105.19 113.43 2gsg n GLY 15 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2gsg n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsg s ALA 16 N -1.63 0.04 0.09 4.61 0.00 -1.20 -3.75 121.76 119.92 2gsg s ALA 16 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.77 2gsg s ALA 16 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2gsg s ALA 16 CO 0.00 -3.48 -0.19 0.45 0.00 0.00 0.00 175.76 172.53 2gsg s SER 17 N -2.94 3.78 -0.01 0.00 0.15 -1.26 0.26 113.70 113.68 2gsg s SER 17 Ca 0.67 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 2gsg s SER 17 Cb -0.22 -0.52 0.01 0.00 -1.71 0.00 0.00 66.02 63.57 2gsg s SER 17 CO 0.62 0.20 0.03 0.00 1.20 0.00 0.00 173.24 175.29 2gsg s ALA 18 N -1.06 -0.07 -0.17 5.45 0.00 -0.51 -4.99 121.76 120.41 2gsg s ALA 18 Ca 0.16 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 2gsg s ALA 18 Cb -0.10 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2gsg s ALA 18 CO 0.08 -0.02 -0.06 0.21 0.00 0.00 0.00 175.76 175.97 2gsg s LYS 19 N 0.10 1.49 0.05 0.00 2.20 -1.26 0.60 119.74 122.92 2gsg s LYS 19 Ca -0.01 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 2gsg s LYS 19 Cb -0.01 -2.03 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2gsg s LYS 19 CO -0.00 -0.43 0.28 -0.51 -0.36 0.00 0.00 175.35 174.33 2gsg s LEU 20 N 1.61 4.34 -0.06 5.43 1.02 0.22 -4.89 118.68 126.36 2gsg s LEU 20 Ca 0.01 0.50 0.05 0.00 0.02 0.00 0.00 54.13 54.71 2gsg s LEU 20 Cb -0.15 -2.88 -0.00 0.00 0.02 0.00 0.00 46.19 43.17 2gsg s LEU 20 CO -0.08 0.19 -0.21 -0.89 0.02 0.00 0.00 176.35 175.38 2gsg s THR 21 N -1.43 1.74 -0.11 5.49 2.01 -1.26 -0.48 115.64 121.60 2gsg s THR 21 Ca 0.32 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.46 2gsg s THR 21 Cb -0.13 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.91 2gsg s THR 21 CO 0.21 0.49 -0.13 0.00 -0.69 0.00 0.00 174.62 174.50 2gsg s THR 23 N 1.16 2.81 0.80 0.00 2.01 0.22 -1.30 115.64 121.34 2gsg s THR 23 Ca -0.04 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 2gsg s THR 23 Cb -0.14 -2.16 0.07 0.00 0.01 0.00 0.00 72.50 70.28 2gsg s THR 23 CO -0.03 0.53 1.11 -0.76 -0.69 0.00 0.00 174.62 174.78 2gsg s LEU 24 N 0.33 2.57 0.82 4.42 1.43 -0.57 -1.72 118.68 125.96 2gsg s LEU 24 Ca -0.13 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2gsg s LEU 24 Cb -0.16 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.33 2gsg s LEU 24 CO 0.06 -1.93 1.09 -0.94 0.23 0.00 0.00 176.35 174.87 2gsg s SER 25 N -4.04 4.11 0.05 2.29 1.04 -0.89 -4.84 113.70 111.42 2gsg s SER 25 Ca 0.61 1.74 -0.18 0.00 0.48 0.00 0.00 55.95 58.59 2gsg s SER 25 Cb -0.14 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 2gsg s SER 25 CO 0.53 -2.27 1.29 -1.28 0.98 0.00 0.00 173.24 172.49 2gsg h SER 26 N -1.29 -0.82 -0.49 7.02 0.87 -1.92 -2.49 113.55 114.42 2gsg h SER 26 Ca -0.45 0.08 0.14 0.00 -1.23 0.00 0.00 61.79 60.33 2gsg h SER 26 Cb 1.25 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2gsg h SER 26 CO 0.52 -0.31 0.57 -0.61 -0.53 0.00 0.00 176.83 176.47 2gsg h GLN 27 N -0.42 0.00 -0.45 2.24 4.15 -1.95 -1.37 115.11 117.30 2gsg h GLN 27 Ca -0.01 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.21 2gsg h GLN 27 Cb 0.41 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.98 2gsg h GLN 27 CO -0.13 0.00 0.06 0.72 -1.93 0.00 0.00 178.83 177.55 2gsg n HIS 28 N -3.58 1.43 0.32 3.99 8.25 -0.96 -4.70 115.22 119.97 2gsg n HIS 28 Ca 0.09 -1.49 0.22 0.00 -0.26 0.00 0.00 57.72 56.28 2gsg n HIS 28 Cb 0.76 -0.54 1.10 0.00 1.12 0.00 0.00 29.99 32.43 2gsg n HIS 28 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2gsg h SER 31 N 1.24 0.00 0.84 0.41 4.64 -1.00 -2.85 113.55 116.83 2gsg h SER 31 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2gsg h SER 31 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2gsg h SER 31 CO 0.48 0.00 -0.29 1.07 -0.87 0.00 0.00 176.83 177.22 2gsg n THR 32 N -3.09 0.12 -1.65 2.95 5.66 -1.26 -4.34 114.28 112.68 2gsg n THR 32 Ca -0.02 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.56 2gsg n THR 32 Cb 0.13 -0.17 0.07 0.00 -1.55 0.00 0.00 70.33 68.81 2gsg n THR 32 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2gsg s TYR 33 N -3.04 2.25 -0.22 1.09 1.51 -1.08 -4.51 117.35 113.36 2gsg s TYR 33 Ca 0.11 1.57 -0.15 0.00 -1.01 0.00 0.00 57.07 57.59 2gsg s TYR 33 Cb 0.17 -3.42 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 2gsg s TYR 33 CO 0.63 -2.33 0.37 0.99 -1.11 0.00 0.00 175.55 174.10 2gsg s THR 34 N -1.95 5.21 0.51 -0.71 2.01 -1.26 -4.32 115.64 115.13 2gsg s THR 34 Ca 0.74 0.63 0.06 0.00 0.31 0.00 0.00 61.69 63.42 2gsg s THR 34 Cb -0.28 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.55 2gsg s THR 34 CO 0.41 0.24 0.38 0.27 -0.69 0.00 0.00 174.62 175.23 2gsg s ILE 35 N 1.42 1.88 0.03 1.82 -4.36 -0.09 -4.60 121.20 117.30 2gsg s ILE 35 Ca 0.17 -1.49 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 2gsg s ILE 35 Cb -0.15 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 2gsg s ILE 35 CO 0.08 0.00 -0.21 -1.61 0.24 0.00 0.00 174.94 173.44 2gsg s GLU 36 N -4.22 1.45 -0.14 0.37 2.02 0.11 -0.29 118.70 117.99 2gsg s GLU 36 Ca 0.37 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 2gsg s GLU 36 Cb -0.02 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 2gsg s GLU 36 CO 0.22 0.40 -0.11 -1.58 0.02 0.00 0.00 175.26 174.21 2gsg s TRP 37 N -0.73 2.86 0.14 1.61 0.52 0.44 -0.15 118.94 123.62 2gsg s TRP 37 Ca 0.08 -0.65 0.10 0.00 0.02 0.00 0.00 56.10 55.64 2gsg s TRP 37 Cb -0.09 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 2gsg s TRP 37 CO 0.01 -0.24 -0.23 0.71 0.02 0.00 0.00 176.95 177.23 2gsg s TYR 38 N 0.50 2.03 -0.04 -1.98 1.51 0.28 -0.51 117.35 119.13 2gsg s TYR 38 Ca -0.08 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 2gsg s TYR 38 Cb -0.15 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 2gsg s TYR 38 CO 0.04 0.31 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.48 2gsg s GLN 39 N -2.23 1.72 -0.15 -0.62 0.74 0.55 -0.71 119.66 118.96 2gsg s GLN 39 Ca 0.13 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 2gsg s GLN 39 Cb -0.09 -1.52 0.05 0.00 1.10 0.00 0.00 33.01 32.55 2gsg s GLN 39 CO 0.06 0.27 0.01 -1.14 -0.55 0.00 0.00 175.29 173.94 2gsg s GLN 40 N -0.04 0.74 0.50 1.67 0.74 -0.61 0.17 119.66 122.84 2gsg s GLN 40 Ca -0.02 -0.24 -0.05 0.00 0.05 0.00 0.00 55.36 55.11 2gsg s GLN 40 Cb -0.11 -1.68 -0.02 0.00 1.10 0.00 0.00 33.01 32.30 2gsg s GLN 40 CO 0.02 -0.49 0.80 -0.65 -0.55 0.00 0.00 175.29 174.42 2gsg s GLN 41 N 1.87 3.33 -0.02 1.67 -0.21 -1.26 -1.64 119.66 123.40 2gsg s GLN 41 Ca 0.02 0.06 -0.37 0.00 0.02 0.00 0.00 55.36 55.09 2gsg s GLN 41 Cb -0.15 -2.37 -0.15 0.00 1.00 0.00 0.00 33.01 31.34 2gsg s GLN 41 CO -0.07 -0.33 1.59 -2.30 -2.12 0.00 0.00 175.29 172.06 2gsg n PRO 42 N -2.31 1.53 -1.15 2.91 -0.02 -1.26 -1.63 135.00 133.06 2gsg n PRO 42 Ca 0.01 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 2gsg n PRO 42 Cb 0.56 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2gsg n PRO 42 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gsg n LEU 43 N 4.15 0.10 -4.56 2.45 4.77 -1.26 -4.99 117.00 117.66 2gsg n LEU 43 Ca 0.21 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 2gsg n LEU 43 Cb 0.21 -2.03 -0.09 0.00 -2.33 0.00 0.00 43.42 39.19 2gsg n LEU 43 CO 0.69 -0.74 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.07 2gsg s LYS 44 N -2.06 2.00 0.77 3.23 1.02 -0.65 -5.13 119.74 118.92 2gsg s LYS 44 Ca 0.00 -1.52 -0.11 0.00 0.02 0.00 0.00 55.97 54.36 2gsg s LYS 44 Cb 0.00 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 2gsg s LYS 44 CO 0.00 0.37 1.08 -2.14 -0.92 0.00 0.00 175.35 173.74 2gsg s PRO 45 N -3.43 2.30 0.48 -1.68 0.02 -1.26 -4.54 135.00 126.90 2gsg s PRO 45 Ca 0.29 1.07 -0.22 0.00 0.02 0.00 0.00 61.00 62.16 2gsg s PRO 45 Cb -0.06 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 2gsg s PRO 45 CO 0.17 -1.58 1.18 -2.14 -0.33 0.00 0.00 177.00 174.30 2gsg s PRO 46 N -4.95 3.62 -0.10 5.54 0.02 -1.26 -4.55 135.00 133.32 2gsg s PRO 46 Ca 0.61 1.79 0.02 0.00 0.02 0.00 0.00 61.00 63.44 2gsg s PRO 46 Cb -0.16 -2.32 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 2gsg s PRO 46 CO 0.56 -0.67 -0.16 0.21 -0.33 0.00 0.00 177.00 176.61 2gsg s LYS 47 N -2.82 3.04 -0.14 5.54 2.20 0.45 -4.93 119.74 123.08 2gsg s LYS 47 Ca 0.66 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 2gsg s LYS 47 Cb -0.29 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 2gsg s LYS 47 CO 0.35 0.32 1.52 -0.47 -0.36 0.00 0.00 175.35 176.71 2gsg s TYR 48 N 0.04 2.28 -0.18 4.03 5.04 -1.26 -0.33 117.35 126.97 2gsg s TYR 48 Ca -0.06 0.55 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 2gsg s TYR 48 Cb -0.15 -3.82 -0.11 0.00 0.35 0.00 0.00 41.96 38.23 2gsg s TYR 48 CO 0.05 -2.91 -0.02 0.28 -1.34 0.00 0.00 175.55 171.61 2gsg n VAL 49 N 5.76 1.48 -3.61 3.14 0.31 0.33 -4.27 118.33 121.46 2gsg n VAL 49 Ca 0.17 0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.54 2gsg n VAL 49 Cb 0.44 -2.20 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 2gsg n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsg s MET 50 N -2.34 0.45 -0.19 5.55 0.23 -1.02 -2.01 119.30 119.97 2gsg s MET 50 Ca -0.23 -0.21 -0.03 0.00 -1.03 0.00 0.00 55.69 54.18 2gsg s MET 50 Cb 0.05 0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2gsg s MET 50 CO 0.41 -0.20 -0.05 -1.83 -2.03 0.00 0.00 175.02 171.32 2gsg s GLU 51 N -2.54 3.47 -0.18 3.16 4.04 -0.91 -0.42 118.70 125.32 2gsg s GLU 51 Ca 0.11 -0.60 -0.00 0.00 0.04 0.00 0.00 54.97 54.52 2gsg s GLU 51 Cb 0.01 -2.95 0.00 0.00 0.02 0.00 0.00 34.13 31.22 2gsg s GLU 51 CO -0.04 -0.03 -0.15 -1.17 -1.84 0.00 0.00 175.26 172.04 2gsg s LEU 52 N 1.04 2.44 0.56 1.83 2.96 0.61 -2.85 118.68 125.26 2gsg s LEU 52 Ca 0.01 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2gsg s LEU 52 Cb -0.15 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2gsg s LEU 52 CO 0.00 0.03 0.79 -0.54 -1.32 0.00 0.00 176.35 175.32 2gsg s LYS 53 N 1.12 2.59 0.36 1.98 1.02 0.11 -0.91 119.74 126.00 2gsg s LYS 53 Ca 0.01 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.38 2gsg s LYS 53 Cb -0.14 -2.45 0.67 0.00 -0.52 0.00 0.00 37.83 35.39 2gsg s LYS 53 CO -0.05 -0.71 1.98 1.57 -0.92 0.00 0.00 175.35 177.21 2gsg h LYS 54 N 0.03 0.68 -0.44 1.68 2.10 -1.79 -2.20 116.57 116.63 2gsg h LYS 54 Ca -0.43 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2gsg h LYS 54 Cb 1.29 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2gsg h LYS 54 CO 0.54 0.51 0.00 -0.40 -2.00 0.00 0.00 179.45 178.11 2gsg n ASP 55 N -4.40 1.82 0.00 7.07 3.85 -1.26 -4.64 116.55 118.99 2gsg n ASP 55 Ca 0.04 -2.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 2gsg n ASP 55 Cb 0.11 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 2gsg n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gsg n GLY 56 N 0.73 2.30 3.72 6.12 0.00 -0.83 -4.89 105.19 112.35 2gsg n GLY 56 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2gsg n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gsg n SER 57 N 0.00 3.37 -3.51 1.61 7.64 -1.26 -4.62 113.62 116.84 2gsg n SER 57 Ca 0.00 1.16 -0.17 0.00 1.01 0.00 0.00 58.87 60.88 2gsg n SER 57 Cb 0.00 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 61.61 2gsg n SER 57 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2gsg s HIS 58 N -0.32 -0.62 -0.01 1.43 -3.43 -1.26 -0.71 115.29 110.36 2gsg s HIS 58 Ca 0.63 0.97 0.02 0.00 -0.80 0.00 0.00 55.06 55.88 2gsg s HIS 58 Cb -0.55 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 2gsg s HIS 58 CO 0.53 -0.62 -0.06 -1.54 -2.00 0.00 0.00 174.74 171.04 2gsg s SER 59 N -1.42 0.81 0.48 7.38 1.04 -1.13 -4.99 113.70 115.87 2gsg s SER 59 Ca -0.08 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 2gsg s SER 59 Cb -0.00 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.95 2gsg s SER 59 CO 0.06 0.05 0.72 0.42 0.98 0.00 0.00 173.24 175.47 2gsg s THR 60 N 0.08 3.92 0.68 2.02 -4.23 -1.26 -2.13 115.64 114.72 2gsg s THR 60 Ca -0.01 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2gsg s THR 60 Cb -0.05 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.42 2gsg s THR 60 CO -0.00 -0.37 0.94 -0.83 -0.54 0.00 0.00 174.62 173.82 2gsg s GLY 61 N -4.24 1.77 0.27 3.99 0.00 -0.85 -4.94 107.32 103.31 2gsg s GLY 61 Ca 0.50 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 43.21 2gsg s GLY 61 CO 0.39 -1.18 1.59 1.22 0.00 0.00 0.00 173.10 175.12 2gsg n ASP 62 N -2.71 3.68 -0.72 1.64 10.43 -1.26 -2.64 116.55 124.98 2gsg n ASP 62 Ca 0.14 1.13 -0.07 0.00 2.57 0.00 0.00 54.79 58.55 2gsg n ASP 62 Cb 0.60 -1.56 -0.02 0.00 1.84 0.00 0.00 41.12 41.99 2gsg n ASP 62 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2gsg n GLY 63 N 2.49 0.50 3.66 0.44 0.00 -1.26 -5.00 105.19 106.03 2gsg n GLY 63 Ca 0.10 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2gsg n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gsg s ILE 64 N -2.33 5.15 0.28 -0.61 -1.09 -1.08 -5.06 121.20 116.46 2gsg s ILE 64 Ca 0.00 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 2gsg s ILE 64 Cb 0.00 -3.36 -0.10 0.00 -1.58 0.00 0.00 42.46 37.41 2gsg s ILE 64 CO 0.00 0.41 1.45 -2.84 -1.23 0.00 0.00 174.94 172.73 2gsg s PRO 65 N 0.68 4.24 0.00 2.79 0.02 -1.26 -4.86 135.00 136.61 2gsg s PRO 65 Ca 0.06 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.47 2gsg s PRO 65 Cb -0.13 -3.08 0.15 0.00 0.02 0.00 0.00 34.50 31.47 2gsg s PRO 65 CO 0.01 -0.43 0.93 -0.25 -0.33 0.00 0.00 177.00 176.93 2gsg n ASP 66 N 1.90 0.00 -0.43 2.53 9.92 -1.26 -1.21 116.55 128.00 2gsg n ASP 66 Ca 0.05 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 2gsg n ASP 66 Cb 0.40 -0.30 0.02 0.00 -0.64 0.00 0.00 41.12 40.59 2gsg n ASP 66 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2gsg n ARG 67 N -1.30 1.16 -4.05 -1.24 1.85 -1.26 -4.53 116.66 107.28 2gsg n ARG 67 Ca 0.01 -0.14 -0.33 0.00 -1.00 0.00 0.00 57.85 56.39 2gsg n ARG 67 Cb 0.02 -1.40 -0.15 0.00 -1.05 0.00 0.00 32.46 29.89 2gsg n ARG 67 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2gsg s PHE 68 N -1.32 3.14 0.10 2.89 0.08 -0.35 -0.10 117.98 122.43 2gsg s PHE 68 Ca 0.03 -2.05 0.02 0.00 0.12 0.00 0.00 56.93 55.05 2gsg s PHE 68 Cb 0.02 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2gsg s PHE 68 CO 0.01 -0.84 -0.07 -1.54 -0.10 0.00 0.00 175.22 172.68 2gsg s SER 69 N 1.18 1.20 0.15 1.36 1.04 0.24 -4.99 113.70 113.87 2gsg s SER 69 Ca -0.05 -1.01 0.08 0.00 0.48 0.00 0.00 55.95 55.45 2gsg s SER 69 Cb -0.18 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2gsg s SER 69 CO -0.06 -0.46 -0.17 -0.83 0.98 0.00 0.00 173.24 172.70 2gsg s GLY 70 N -3.06 1.28 0.09 7.32 0.00 -1.26 -0.19 107.32 111.50 2gsg s GLY 70 Ca 0.12 -1.41 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 2gsg s GLY 70 CO -0.04 -1.46 0.12 -1.35 0.00 0.00 0.00 173.10 170.37 2gsg s SER 71 N -2.56 0.24 0.02 1.64 1.04 -0.96 -4.91 113.70 108.20 2gsg s SER 71 Ca 0.13 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2gsg s SER 71 Cb -0.06 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 2gsg s SER 71 CO 0.05 -0.71 -0.07 -0.44 0.98 0.00 0.00 173.24 173.05 2gsg s SER 72 N -2.91 0.82 -0.43 7.02 0.01 -1.26 0.66 113.70 117.60 2gsg s SER 72 Ca 0.09 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.04 2gsg s SER 72 Cb 0.06 -0.02 0.18 0.00 0.21 0.00 0.00 66.02 66.45 2gsg s SER 72 CO -0.08 -0.08 0.44 -0.24 0.41 0.00 0.00 173.24 173.69 2gsg n SER 73 N 2.09 -1.09 0.00 2.44 2.88 0.12 -4.77 113.62 115.28 2gsg n SER 73 Ca -0.18 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 2gsg n SER 73 Cb 0.56 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2gsg n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsg n GLY 74 N 2.74 2.16 0.00 0.46 0.00 -1.26 -2.51 105.19 106.77 2gsg n GLY 74 Ca 0.27 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2gsg n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsg n ALA 75 N 3.29 4.03 -2.43 4.61 0.00 -1.26 -4.59 120.51 124.17 2gsg n ALA 75 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 2gsg n ALA 75 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2gsg n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gsg s ASP 76 N -3.01 6.92 -0.12 0.00 1.11 -1.04 -1.51 116.67 119.02 2gsg s ASP 76 Ca 0.04 1.10 0.01 0.00 0.18 0.00 0.00 52.55 53.88 2gsg s ASP 76 Cb 0.13 -2.31 0.02 0.00 1.07 0.00 0.00 42.92 41.83 2gsg s ASP 76 CO 0.75 0.24 -0.14 -0.13 1.18 0.00 0.00 175.17 177.07 2gsg s ARG 77 N -0.79 2.20 0.20 8.23 1.81 -0.42 0.11 118.95 130.30 2gsg s ARG 77 Ca 0.27 -0.54 0.07 0.00 -1.72 0.00 0.00 55.73 53.81 2gsg s ARG 77 Cb -0.18 -1.94 -0.04 0.00 -0.45 0.00 0.00 34.95 32.34 2gsg s ARG 77 CO 0.16 -0.13 0.08 0.71 -0.68 0.00 0.00 175.30 175.44 2gsg s TYR 78 N 1.18 2.97 -0.20 -0.53 1.51 0.21 -1.80 117.35 120.70 2gsg s TYR 78 Ca -0.02 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2gsg s TYR 78 Cb -0.14 -1.40 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2gsg s TYR 78 CO -0.05 0.53 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.74 2gsg s LEU 79 N -3.30 1.76 -0.15 -1.29 2.96 0.37 -2.27 118.68 116.75 2gsg s LEU 79 Ca 0.30 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 2gsg s LEU 79 Cb -0.09 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2gsg s LEU 79 CO 0.22 -0.25 0.03 -0.94 -1.32 0.00 0.00 176.35 174.09 2gsg s SER 80 N 1.64 5.37 -0.26 3.68 1.04 0.73 0.71 113.70 126.61 2gsg s SER 80 Ca -0.02 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2gsg s SER 80 Cb -0.17 -1.82 0.07 0.00 0.10 0.00 0.00 66.02 64.20 2gsg s SER 80 CO -0.07 0.23 -0.07 -0.63 0.98 0.00 0.00 173.24 173.68 2gsg s ILE 81 N 0.03 1.95 0.10 -1.02 1.01 0.20 -0.59 121.20 122.88 2gsg s ILE 81 Ca 0.04 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 58.94 2gsg s ILE 81 Cb -0.13 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 40.11 2gsg s ILE 81 CO 0.01 -0.14 0.54 -0.94 0.00 0.00 0.00 174.94 174.41 2gsg s SER 82 N 1.18 6.90 -0.33 3.58 1.04 0.86 -1.42 113.70 125.50 2gsg s SER 82 Ca -0.05 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 2gsg s SER 82 Cb -0.19 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.63 2gsg s SER 82 CO -0.06 0.19 0.32 -3.20 0.98 0.00 0.00 173.24 171.46 2gsg n ASN 83 N 1.22 -7.15 -4.67 7.02 5.15 -0.63 -4.73 115.26 111.48 2gsg n ASN 83 Ca -0.08 0.76 -0.43 0.00 -0.60 0.00 0.00 54.58 54.23 2gsg n ASN 83 Cb 0.52 -4.77 -0.02 0.00 -0.53 0.00 0.00 39.78 34.97 2gsg n ASN 83 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2gsg s ILE 84 N -2.01 4.19 0.06 -1.44 1.01 0.14 -4.74 121.20 118.41 2gsg s ILE 84 Ca 0.13 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.28 2gsg s ILE 84 Cb -0.04 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2gsg s ILE 84 CO 0.67 -0.09 0.07 -1.10 0.00 0.00 0.00 174.94 174.49 2gsg s GLN 85 N 3.14 2.90 0.32 2.79 -1.52 -1.26 -2.09 119.66 123.92 2gsg s GLN 85 Ca 0.57 -0.66 0.18 0.00 -1.95 0.00 0.00 55.36 53.50 2gsg s GLN 85 Cb -0.24 -2.74 0.97 0.00 -0.22 0.00 0.00 33.01 30.79 2gsg s GLN 85 CO 0.18 0.58 1.51 -2.30 -0.25 0.00 0.00 175.29 175.01 2gsg n PRO 86 N 0.64 0.12 0.12 2.91 -0.02 -1.26 0.30 135.00 137.80 2gsg n PRO 86 Ca -0.10 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2gsg n PRO 86 Cb 0.52 -2.01 0.12 0.00 -0.02 0.00 0.00 33.50 32.11 2gsg n PRO 86 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gsg h GLU 87 N 0.00 0.01 0.00 -0.52 5.08 -2.00 -3.02 114.58 114.13 2gsg h GLU 87 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2gsg h GLU 87 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2gsg h GLU 87 CO 0.00 0.68 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 2gsg n ASP 88 N -3.73 0.00 -4.68 1.42 8.00 0.15 -4.70 116.55 113.00 2gsg n ASP 88 Ca -0.01 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 2gsg n ASP 88 Cb 0.67 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 2gsg n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2gsg s GLU 89 N -2.32 4.28 0.00 -1.24 2.12 -1.14 -4.89 118.70 115.51 2gsg s GLU 89 Ca 0.15 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2gsg s GLU 89 Cb 0.09 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2gsg s GLU 89 CO 0.17 -0.60 0.00 0.00 -0.54 0.00 0.00 175.26 174.29 2gsg n ALA 90 N 5.67 0.00 -3.33 6.30 0.00 -0.99 -4.69 120.51 123.47 2gsg n ALA 90 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 2gsg n ALA 90 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 2gsg n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gsg s ILE 91 N -2.04 3.50 -0.22 0.00 1.01 -0.65 0.18 121.20 122.99 2gsg s ILE 91 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 2gsg s ILE 91 Cb 0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2gsg s ILE 91 CO 0.00 0.44 0.13 -0.31 0.00 0.00 0.00 174.94 175.20 2gsg s TYR 92 N 1.19 3.33 -0.02 3.97 2.02 0.18 -1.57 117.35 126.46 2gsg s TYR 92 Ca 0.02 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.99 2gsg s TYR 92 Cb -0.14 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2gsg s TYR 92 CO -0.01 0.15 -0.18 0.42 -1.57 0.00 0.00 175.55 174.35 2gsg s ILE 93 N 0.71 1.47 0.02 2.71 1.09 0.11 -0.03 121.20 127.29 2gsg s ILE 93 Ca 0.07 -0.78 0.04 0.00 -1.10 0.00 0.00 60.65 58.88 2gsg s ILE 93 Cb -0.12 -1.23 -0.03 0.00 -1.06 0.00 0.00 42.46 40.01 2gsg s ILE 93 CO 0.01 0.42 -0.09 0.00 -0.10 0.00 0.00 174.94 175.19 2gsg s GLY 95 N -1.54 0.85 -0.09 0.00 0.00 0.79 0.27 107.32 107.60 2gsg s GLY 95 Ca 0.17 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 2gsg s GLY 95 CO 0.08 -1.47 0.23 0.54 0.00 0.00 0.00 173.10 172.48 2gsg s VAL 96 N -3.63 -0.02 0.26 1.40 0.11 -0.72 0.04 120.40 117.85 2gsg s VAL 96 Ca 0.14 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 2gsg s VAL 96 Cb 0.05 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2gsg s VAL 96 CO -0.03 0.03 0.26 -0.83 -3.33 0.00 0.00 175.10 171.20 2gsg s GLY 97 N 0.68 1.41 -0.32 6.54 0.00 -1.26 -1.57 107.32 112.80 2gsg s GLY 97 Ca -0.05 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.28 2gsg s GLY 97 CO -0.04 -1.41 0.31 -0.35 0.00 0.00 0.00 173.10 171.61 2gsg s ASP 98 N -3.91 1.66 -0.63 1.64 3.68 0.22 -4.96 116.67 114.37 2gsg s ASP 98 Ca 0.35 -1.17 -0.01 0.00 2.13 0.00 0.00 52.55 53.85 2gsg s ASP 98 Cb -0.08 0.43 0.16 0.00 -1.45 0.00 0.00 42.92 41.98 2gsg s ASP 98 CO 0.26 -0.34 0.43 -0.89 0.13 0.00 0.00 175.17 174.77 2gsg s THR 99 N 1.93 3.50 -0.30 1.71 2.01 -1.26 -2.40 115.64 120.82 2gsg s THR 99 Ca 0.13 -3.19 -0.12 0.00 0.31 0.00 0.00 61.69 58.82 2gsg s THR 99 Cb -0.15 -3.29 0.18 0.00 0.01 0.00 0.00 72.50 69.24 2gsg s THR 99 CO -0.20 -0.89 0.98 -0.63 -0.69 0.00 0.00 174.62 173.19 2gsg s ILE 100 N -0.30 -0.46 0.00 1.82 1.01 -1.26 -5.02 121.20 116.99 2gsg s ILE 100 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2gsg s ILE 100 Cb -0.20 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.27 2gsg s ILE 100 CO -0.04 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.19 2gsg n LYS 101 N 5.29 0.00 -0.39 2.79 5.02 -1.26 -4.74 118.16 124.87 2gsg n LYS 101 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2gsg n LYS 101 Cb 0.53 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2gsg n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gsg n GLU 102 N -0.44 0.00 -3.66 1.97 4.71 -1.26 -4.99 120.64 116.97 2gsg n GLU 102 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2gsg n GLU 102 Cb 0.00 -3.86 -0.08 0.00 -1.01 0.00 0.00 31.44 26.49 2gsg n GLU 102 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2gsg s GLN 103 N -0.77 0.64 0.18 3.49 2.00 -1.26 -5.14 119.66 118.79 2gsg s GLN 103 Ca 0.00 1.05 -0.31 0.00 -2.00 0.00 0.00 55.36 54.10 2gsg s GLN 103 Cb 0.00 0.15 -0.09 0.00 0.80 0.00 0.00 33.01 33.87 2gsg s GLN 103 CO 0.00 -0.14 1.39 0.12 -0.50 0.00 0.00 175.29 176.16 2gsg s PHE 104 N 1.28 3.19 -0.14 1.67 2.19 -1.26 -4.43 117.98 120.48 2gsg s PHE 104 Ca -0.08 1.03 -0.13 0.00 0.33 0.00 0.00 56.93 58.09 2gsg s PHE 104 Cb -0.06 -3.70 0.04 0.00 -1.31 0.00 0.00 43.02 37.99 2gsg s PHE 104 CO -0.14 -2.35 0.38 0.08 1.83 0.00 0.00 175.22 175.03 2gsg s VAL 105 N 0.53 -0.00 -0.07 3.12 1.01 -1.01 -4.98 120.40 119.00 2gsg s VAL 105 Ca 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 2gsg s VAL 105 Cb -0.38 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.50 2gsg s VAL 105 CO 0.36 0.00 0.12 -0.47 0.00 0.00 0.00 175.10 175.11 2gsg s TYR 106 N 0.22 -0.10 -0.04 5.22 5.04 -1.26 0.73 117.35 127.16 2gsg s TYR 106 Ca -0.00 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.13 2gsg s TYR 106 Cb -0.03 -0.30 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 2gsg s TYR 106 CO 0.00 -0.23 -0.12 0.08 -1.34 0.00 0.00 175.55 173.95 2gsg s VAL 107 N 2.06 3.29 -0.02 3.14 1.01 -0.61 -4.97 120.40 124.30 2gsg s VAL 107 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2gsg s VAL 107 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2gsg s VAL 107 CO -0.05 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.19 2gsg s PHE 108 N -0.81 2.96 1.27 5.22 0.40 -1.26 -1.75 117.98 124.01 2gsg s PHE 108 Ca 0.13 0.01 -0.20 0.00 -0.60 0.00 0.00 56.93 56.28 2gsg s PHE 108 Cb -0.11 -1.66 0.31 0.00 0.51 0.00 0.00 43.02 42.08 2gsg s PHE 108 CO 0.02 0.39 1.03 0.20 0.70 0.00 0.00 175.22 177.56 2gsg s GLY 109 N -1.28 1.51 0.08 4.36 0.00 0.14 -4.80 107.32 107.34 2gsg s GLY 109 Ca 0.16 -0.80 0.27 0.00 0.00 0.00 0.00 44.72 44.36 2gsg s GLY 109 CO 0.06 0.10 1.86 0.61 0.00 0.00 0.00 173.10 175.73 2gsg n GLY 110 N 0.07 -1.55 0.00 0.20 0.00 -1.26 -4.83 105.19 97.81 2gsg n GLY 110 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2gsg n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsg n GLY 111 N 1.35 1.01 2.61 -0.02 0.00 -1.26 -5.02 105.19 103.87 2gsg n GLY 111 Ca 0.06 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 2gsg n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gsg s THR 112 N -2.75 -0.00 -0.27 2.61 2.01 0.96 -4.89 115.64 113.32 2gsg s THR 112 Ca 0.00 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.39 2gsg s THR 112 Cb 0.00 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.81 2gsg s THR 112 CO 0.00 -0.36 0.99 -0.75 -0.69 0.00 0.00 174.62 173.81 2gsg s LYS 113 N 2.09 4.15 -0.41 4.92 2.20 -1.26 0.52 119.74 131.94 2gsg s LYS 113 Ca 0.03 1.11 -0.16 0.00 -0.36 0.00 0.00 55.97 56.59 2gsg s LYS 113 Cb -0.16 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2gsg s LYS 113 CO -0.14 -0.71 0.37 0.08 -0.36 0.00 0.00 175.35 174.59 2gsg s VAL 114 N 3.27 5.17 -0.33 4.02 1.01 0.48 -3.50 120.40 130.52 2gsg s VAL 114 Ca 0.42 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 2gsg s VAL 114 Cb -0.14 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2gsg s VAL 114 CO 0.10 -0.36 0.31 -0.89 0.00 0.00 0.00 175.10 174.26 2gsg s THR 115 N 1.93 5.22 -2.47 3.92 2.01 -1.00 -2.35 115.64 122.89 2gsg s THR 115 Ca 0.09 0.02 0.28 0.00 0.31 0.00 0.00 61.69 62.40 2gsg s THR 115 Cb -0.18 -3.75 0.57 0.00 0.01 0.00 0.00 72.50 69.15 2gsg s THR 115 CO 0.12 -0.01 1.77 0.52 -0.69 0.00 0.00 174.62 176.33