#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 3.36 0.07 1.08 0.20 -1.26 -4.76 118.68 117.38 2gsg s LEU 2 Ca 0.00 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.13 2gsg s LEU 2 Cb 0.00 -2.94 -0.04 0.00 -0.43 0.00 0.00 46.19 42.79 2gsg s LEU 2 CO 0.00 -1.85 -0.06 0.68 -0.29 0.00 0.00 176.35 174.82 2gsg s VAL 3 N 6.68 0.55 -0.17 1.68 -7.23 -1.26 -4.92 120.40 115.74 2gsg s VAL 3 Ca 0.56 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2gsg s VAL 3 Cb -0.12 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2gsg s VAL 3 CO 0.24 -0.73 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.46 2gsg s LEU 4 N -2.53 1.81 -0.22 1.32 1.43 -1.26 -2.08 118.68 117.15 2gsg s LEU 4 Ca 0.03 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 2gsg s LEU 4 Cb 0.00 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 2gsg s LEU 4 CO -0.04 -0.15 0.14 -0.89 0.23 0.00 0.00 176.35 175.64 2gsg s THR 5 N 1.54 5.32 0.09 5.49 2.01 -0.61 -4.23 115.64 125.26 2gsg s THR 5 Ca 0.01 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.21 2gsg s THR 5 Cb -0.15 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2gsg s THR 5 CO -0.08 0.39 0.06 -1.10 -0.69 0.00 0.00 174.62 173.20 2gsg s GLN 6 N 0.71 2.76 0.98 4.92 -0.21 -1.26 -0.10 119.66 127.46 2gsg s GLN 6 Ca 0.07 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.58 2gsg s GLN 6 Cb -0.12 -2.65 0.18 0.00 1.00 0.00 0.00 33.01 31.42 2gsg s GLN 6 CO 0.01 0.55 1.11 -1.54 -2.12 0.00 0.00 175.29 173.30 2gsg s SER 7 N -2.45 2.43 0.51 5.90 1.04 0.26 -4.97 113.70 116.42 2gsg s SER 7 Ca 0.28 1.99 -0.20 0.00 0.48 0.00 0.00 55.95 58.50 2gsg s SER 7 Cb -0.12 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2gsg s SER 7 CO 0.21 -3.38 1.09 -0.44 0.98 0.00 0.00 173.24 171.70 2gsg s SER 8 N -2.66 6.03 0.39 7.02 0.01 -1.26 -4.70 113.70 118.52 2gsg s SER 8 Ca 0.67 2.08 -0.27 0.00 1.31 0.00 0.00 55.95 59.74 2gsg s SER 8 Cb -0.23 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.32 2gsg s SER 8 CO 0.60 -1.01 1.44 -0.44 0.41 0.00 0.00 173.24 174.25 2gsg s SER 9 N -1.82 6.29 0.15 2.44 0.01 -1.26 -4.87 113.70 114.64 2gsg s SER 9 Ca 0.70 2.96 -0.10 0.00 1.31 0.00 0.00 55.95 60.82 2gsg s SER 9 Cb -0.21 -2.66 -0.00 0.00 0.21 0.00 0.00 66.02 63.36 2gsg s SER 9 CO 0.25 -0.90 0.30 0.00 0.41 0.00 0.00 173.24 173.29 2gsg s ALA 10 N -1.15 -0.20 0.07 1.44 0.00 -1.00 -4.97 121.76 115.96 2gsg s ALA 10 Ca 0.54 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2gsg s ALA 10 Cb -0.45 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2gsg s ALA 10 CO 0.60 -0.64 -0.04 -1.12 0.00 0.00 0.00 175.76 174.56 2gsg s SER 11 N -2.93 4.81 0.00 0.00 0.01 -1.26 -1.56 113.70 112.77 2gsg s SER 11 Ca 0.13 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2gsg s SER 11 Cb 0.03 -1.10 -0.00 0.00 0.21 0.00 0.00 66.02 65.16 2gsg s SER 11 CO -0.03 0.20 -0.03 -0.36 0.41 0.00 0.00 173.24 173.44 2gsg s PHE 12 N -1.21 0.24 -0.03 2.43 0.40 0.15 -4.93 117.98 115.03 2gsg s PHE 12 Ca 0.23 -0.10 -0.23 0.00 -0.60 0.00 0.00 56.93 56.23 2gsg s PHE 12 Cb -0.11 -0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.22 2gsg s PHE 12 CO 0.15 -0.02 0.67 -1.12 0.70 0.00 0.00 175.22 175.59 2gsg s SER 13 N -0.25 7.01 0.03 1.36 0.01 -1.26 -4.08 113.70 116.51 2gsg s SER 13 Ca -0.01 1.22 -0.24 0.00 1.31 0.00 0.00 55.95 58.23 2gsg s SER 13 Cb -0.02 -2.40 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 2gsg s SER 13 CO -0.00 -0.02 0.60 -0.11 0.41 0.00 0.00 173.24 174.12 2gsg n LEU 14 N 3.26 -0.16 0.00 2.44 0.00 -1.26 -0.58 117.00 120.70 2gsg n LEU 14 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 56.01 56.70 2gsg n LEU 14 Cb 0.51 -0.58 0.00 0.00 0.00 0.00 0.00 43.42 43.35 2gsg n LEU 14 CO 0.46 -1.33 0.00 0.61 0.00 0.00 0.00 177.39 177.13 2gsg n GLY 15 N 1.00 2.89 0.00 -3.96 0.00 0.10 -4.87 105.19 100.35 2gsg n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2gsg n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsg n ALA 16 N -0.97 0.00 -2.87 4.61 0.00 0.25 -3.92 120.51 117.60 2gsg n ALA 16 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2gsg n ALA 16 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2gsg n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2gsg s SER 17 N -1.87 0.44 -0.00 0.00 0.01 -1.26 -1.09 113.70 109.93 2gsg s SER 17 Ca 0.00 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2gsg s SER 17 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 2gsg s SER 17 CO 0.00 0.03 -0.13 0.00 0.41 0.00 0.00 173.24 173.55 2gsg s ALA 18 N 0.01 1.12 -0.09 1.44 0.00 0.16 -4.98 121.76 119.41 2gsg s ALA 18 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2gsg s ALA 18 Cb -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2gsg s ALA 18 CO -0.00 0.26 -0.06 0.21 0.00 0.00 0.00 175.76 176.17 2gsg s LYS 19 N -0.47 1.25 0.02 0.00 2.20 -1.26 0.99 119.74 122.47 2gsg s LYS 19 Ca 0.04 -0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.52 2gsg s LYS 19 Cb -0.06 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.86 2gsg s LYS 19 CO -0.00 -0.25 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.21 2gsg s LEU 20 N 1.66 3.39 -0.04 5.43 1.02 0.20 -4.96 118.68 125.38 2gsg s LEU 20 Ca 0.03 -0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.14 2gsg s LEU 20 Cb -0.13 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 2gsg s LEU 20 CO -0.06 0.26 -0.21 -0.89 0.02 0.00 0.00 176.35 175.47 2gsg s THR 21 N -1.11 2.50 -0.16 5.49 2.01 -1.26 -1.69 115.64 121.43 2gsg s THR 21 Ca 0.20 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2gsg s THR 21 Cb -0.11 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.51 2gsg s THR 21 CO 0.11 0.58 -0.01 0.00 -0.69 0.00 0.00 174.62 174.61 2gsg s THR 23 N 1.77 4.61 0.65 0.00 2.01 0.86 -0.74 115.64 124.79 2gsg s THR 23 Ca 0.01 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 2gsg s THR 23 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2gsg s THR 23 CO -0.07 0.37 1.06 -0.76 -0.69 0.00 0.00 174.62 174.53 2gsg s LEU 24 N 1.15 3.30 0.24 4.42 1.43 0.66 -1.57 118.68 128.31 2gsg s LEU 24 Ca 0.05 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 2gsg s LEU 24 Cb -0.14 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.48 2gsg s LEU 24 CO 0.04 -1.31 1.13 -0.94 0.23 0.00 0.00 176.35 175.49 2gsg s SER 25 N -3.33 7.21 0.09 2.29 1.04 -0.88 -4.83 113.70 115.28 2gsg s SER 25 Ca 0.60 2.25 -0.15 0.00 0.48 0.00 0.00 55.95 59.14 2gsg s SER 25 Cb -0.15 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 2gsg s SER 25 CO 0.47 -0.22 0.78 -0.24 0.98 0.00 0.00 173.24 175.00 2gsg n SER 26 N 1.67 -0.50 0.24 7.02 2.88 -1.26 0.60 113.62 124.27 2gsg n SER 26 Ca 0.01 0.89 0.15 0.00 -1.33 0.00 0.00 58.87 58.59 2gsg n SER 26 Cb 0.45 -0.13 0.79 0.00 -0.75 0.00 0.00 64.21 64.57 2gsg n SER 26 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2gsg h GLN 27 N 0.00 0.00 -0.50 -1.46 4.15 -1.92 -2.12 115.11 113.26 2gsg h GLN 27 Ca 0.10 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.15 2gsg h GLN 27 Cb 0.22 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 27.60 2gsg h GLN 27 CO -0.48 0.00 -0.77 0.72 -1.93 0.00 0.00 178.83 176.37 2gsg n HIS 28 N -2.58 1.80 0.30 3.99 -0.00 0.20 -4.82 115.22 114.11 2gsg n HIS 28 Ca -0.02 -1.96 0.19 0.00 -0.00 0.00 0.00 57.72 55.93 2gsg n HIS 28 Cb 0.14 -0.30 0.93 0.00 -0.00 0.00 0.00 29.99 30.76 2gsg n HIS 28 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2gsg h SER 31 N 1.87 0.00 -0.73 0.41 4.64 -1.25 -2.55 113.55 115.94 2gsg h SER 31 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2gsg h SER 31 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2gsg h SER 31 CO 0.49 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.80 2gsg n THR 32 N -2.88 1.12 -2.20 2.95 -2.24 -1.26 -4.25 114.28 105.53 2gsg n THR 32 Ca -0.01 -1.02 -0.33 0.00 -2.27 0.00 0.00 64.05 60.42 2gsg n THR 32 Cb 0.13 0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2gsg n THR 32 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2gsg s TYR 33 N -1.14 3.04 -0.18 4.78 1.51 -0.96 -4.48 117.35 119.92 2gsg s TYR 33 Ca 0.50 1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.93 2gsg s TYR 33 Cb 0.27 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 2gsg s TYR 33 CO 0.32 -0.97 0.34 0.99 -1.11 0.00 0.00 175.55 175.13 2gsg s THR 34 N -2.36 5.26 0.40 -0.71 2.01 -1.26 -4.29 115.64 114.68 2gsg s THR 34 Ca 0.64 0.63 0.08 0.00 0.31 0.00 0.00 61.69 63.35 2gsg s THR 34 Cb -0.15 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2gsg s THR 34 CO 0.32 0.33 0.29 0.27 -0.69 0.00 0.00 174.62 175.14 2gsg s ILE 35 N 0.85 2.71 0.02 1.82 -4.36 -0.69 -4.60 121.20 116.95 2gsg s ILE 35 Ca 0.18 -1.48 0.08 0.00 -0.26 0.00 0.00 60.65 59.17 2gsg s ILE 35 Cb -0.14 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.53 2gsg s ILE 35 CO 0.06 -0.04 -0.23 -1.61 0.24 0.00 0.00 174.94 173.36 2gsg s GLU 36 N -4.02 1.64 -0.09 0.37 2.02 0.57 -0.52 118.70 118.66 2gsg s GLU 36 Ca 0.44 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2gsg s GLU 36 Cb -0.02 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 2gsg s GLU 36 CO 0.26 0.45 -0.04 -1.58 0.02 0.00 0.00 175.26 174.37 2gsg s TRP 37 N -0.70 3.02 0.02 1.61 0.52 0.15 -0.66 118.94 122.90 2gsg s TRP 37 Ca 0.09 0.00 0.05 0.00 0.02 0.00 0.00 56.10 56.27 2gsg s TRP 37 Cb -0.09 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 2gsg s TRP 37 CO 0.01 0.29 -0.16 0.71 0.02 0.00 0.00 176.95 177.82 2gsg s TYR 38 N -0.57 1.42 -0.10 -1.98 1.51 0.13 -0.13 117.35 117.63 2gsg s TYR 38 Ca 0.09 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2gsg s TYR 38 Cb -0.12 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2gsg s TYR 38 CO 0.02 0.02 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.13 2gsg s GLN 39 N -0.83 3.01 -0.22 -0.62 0.74 -0.05 -0.67 119.66 121.02 2gsg s GLN 39 Ca 0.05 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 2gsg s GLN 39 Cb -0.07 -2.36 0.06 0.00 1.10 0.00 0.00 33.01 31.74 2gsg s GLN 39 CO 0.01 0.25 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.85 2gsg s GLN 40 N 0.20 1.10 0.52 1.67 0.74 -0.29 -0.12 119.66 123.48 2gsg s GLN 40 Ca -0.13 -0.71 -0.15 0.00 0.05 0.00 0.00 55.36 54.42 2gsg s GLN 40 Cb -0.16 -2.33 -0.07 0.00 1.10 0.00 0.00 33.01 31.54 2gsg s GLN 40 CO 0.07 -0.63 0.97 -0.65 -0.55 0.00 0.00 175.29 174.50 2gsg s GLN 41 N 1.63 3.87 -0.14 1.67 -0.21 -1.26 -1.62 119.66 123.60 2gsg s GLN 41 Ca -0.03 0.87 -0.41 0.00 0.02 0.00 0.00 55.36 55.81 2gsg s GLN 41 Cb -0.18 -2.15 -0.19 0.00 1.00 0.00 0.00 33.01 31.49 2gsg s GLN 41 CO -0.08 -0.30 1.33 -2.30 -2.12 0.00 0.00 175.29 171.82 2gsg n PRO 42 N -1.77 0.34 -1.03 2.91 -0.02 -1.26 -1.32 135.00 132.85 2gsg n PRO 42 Ca 0.06 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 2gsg n PRO 42 Cb 0.54 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.76 0.81 -4.69 2.45 4.77 -1.26 -4.97 117.00 116.87 2gsg n LEU 43 Ca 0.23 0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 2gsg n LEU 43 Cb 0.07 -2.50 -0.07 0.00 -2.33 0.00 0.00 43.42 38.59 2gsg n LEU 43 CO 0.71 -0.99 -0.26 -0.54 -1.33 0.00 0.00 177.39 174.98 2gsg s LYS 44 N -2.10 2.32 0.59 3.23 1.02 -0.43 -5.11 119.74 119.26 2gsg s LYS 44 Ca 0.00 -1.52 -0.18 0.00 0.02 0.00 0.00 55.97 54.29 2gsg s LYS 44 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2gsg s LYS 44 CO 0.00 0.21 1.16 -2.14 -0.92 0.00 0.00 175.35 173.66 2gsg s PRO 45 N -3.77 3.08 0.77 -1.68 0.02 -1.26 -4.55 135.00 127.60 2gsg s PRO 45 Ca 0.35 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 62.89 2gsg s PRO 45 Cb -0.04 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.58 2gsg s PRO 45 CO 0.21 -1.08 1.19 -2.14 -0.33 0.00 0.00 177.00 174.86 2gsg s PRO 46 N -3.45 1.92 -0.03 5.54 0.02 -1.26 -4.62 135.00 133.12 2gsg s PRO 46 Ca 0.74 1.71 0.03 0.00 0.02 0.00 0.00 61.00 63.49 2gsg s PRO 46 Cb -0.26 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2gsg s PRO 46 CO 0.32 -1.99 -0.09 0.21 -0.33 0.00 0.00 177.00 175.11 2gsg s LYS 47 N -4.08 0.99 -0.00 5.54 2.20 0.83 -4.94 119.74 120.27 2gsg s LYS 47 Ca 0.73 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2gsg s LYS 47 Cb -0.28 -0.92 -0.07 0.00 -1.51 0.00 0.00 37.83 35.05 2gsg s LYS 47 CO 0.48 0.13 1.67 -0.47 -0.36 0.00 0.00 175.35 176.80 2gsg s TYR 48 N 0.16 2.09 -0.17 4.03 5.04 -1.26 -0.87 117.35 126.36 2gsg s TYR 48 Ca -0.03 0.20 -0.16 0.00 -2.44 0.00 0.00 57.07 54.64 2gsg s TYR 48 Cb -0.08 -3.95 -0.05 0.00 0.35 0.00 0.00 41.96 38.22 2gsg s TYR 48 CO 0.00 -3.95 -0.32 0.28 -1.34 0.00 0.00 175.55 170.22 2gsg n VAL 49 N 5.21 1.47 -3.64 3.14 0.31 0.82 -4.28 118.33 121.35 2gsg n VAL 49 Ca 0.17 0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.58 2gsg n VAL 49 Cb 0.42 -2.34 -0.02 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.78 1.34 -0.15 5.55 0.23 -1.13 0.67 119.30 123.03 2gsg s MET 50 Ca -0.26 -0.64 -0.03 0.00 -1.03 0.00 0.00 55.69 53.73 2gsg s MET 50 Cb 0.04 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.84 2gsg s MET 50 CO 0.39 -0.60 -0.07 -2.00 -2.03 0.00 0.00 175.02 170.71 2gsg s GLU 51 N -3.60 3.55 -0.16 3.16 2.12 -0.75 0.31 118.70 123.33 2gsg s GLU 51 Ca 0.07 -0.58 -0.00 0.00 0.36 0.00 0.00 54.97 54.82 2gsg s GLU 51 Cb -0.03 -2.83 0.04 0.00 0.26 0.00 0.00 34.13 31.57 2gsg s GLU 51 CO -0.03 0.19 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.63 2gsg s LEU 52 N 0.47 1.68 0.78 2.70 2.96 0.32 -2.49 118.68 125.10 2gsg s LEU 52 Ca -0.05 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 2gsg s LEU 52 Cb -0.15 -1.00 0.11 0.00 0.50 0.00 0.00 46.19 45.65 2gsg s LEU 52 CO 0.03 -0.15 1.11 -0.54 -1.32 0.00 0.00 176.35 175.48 2gsg s LYS 53 N 1.58 1.71 0.53 1.98 1.02 -0.42 -1.70 119.74 124.44 2gsg s LYS 53 Ca 0.02 -0.39 0.21 0.00 0.02 0.00 0.00 55.97 55.83 2gsg s LYS 53 Cb -0.15 -2.09 1.44 0.00 -0.52 0.00 0.00 37.83 36.51 2gsg s LYS 53 CO -0.08 -1.60 2.16 1.57 -0.92 0.00 0.00 175.35 176.47 2gsg h LYS 54 N -0.90 0.00 -0.36 1.68 2.10 -1.79 -0.95 116.57 116.36 2gsg h LYS 54 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2gsg h LYS 54 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2gsg h LYS 54 CO 0.52 0.04 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 2gsg n ASP 55 N -4.20 2.02 0.00 7.07 3.85 -1.26 -4.70 116.55 119.32 2gsg n ASP 55 Ca -0.03 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 2gsg n ASP 55 Cb 0.12 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 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 1.11 1.66 3.79 6.12 0.00 -0.36 -4.72 105.19 112.80 2gsg n GLY 56 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2gsg n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gsg s SER 57 N -3.33 5.90 0.25 1.61 1.04 -1.26 -4.19 113.70 113.72 2gsg s SER 57 Ca 0.00 1.95 -0.22 0.00 0.48 0.00 0.00 55.95 58.16 2gsg s SER 57 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 2gsg s SER 57 CO 0.00 -1.09 0.74 -1.38 0.98 0.00 0.00 173.24 172.49 2gsg s HIS 58 N -2.14 -0.23 -0.02 5.02 -3.43 -1.26 -1.30 115.29 111.93 2gsg s HIS 58 Ca 0.67 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 2gsg s HIS 58 Cb -0.18 0.68 0.02 0.00 -1.43 0.00 0.00 32.58 31.67 2gsg s HIS 58 CO 0.29 -1.13 0.00 -1.54 -2.00 0.00 0.00 174.74 170.36 2gsg s SER 59 N -2.90 0.28 0.47 7.38 1.04 -1.04 -4.99 113.70 113.94 2gsg s SER 59 Ca 0.10 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.54 2gsg s SER 59 Cb -0.05 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2gsg s SER 59 CO 0.04 -0.08 0.67 0.42 0.98 0.00 0.00 173.24 175.27 2gsg s THR 60 N 0.82 3.49 0.85 2.02 -4.23 -1.26 -1.81 115.64 115.52 2gsg s THR 60 Ca -0.08 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 2gsg s THR 60 Cb -0.11 -3.28 0.15 0.00 1.34 0.00 0.00 72.50 70.60 2gsg s THR 60 CO -0.02 -0.18 1.18 -0.83 -0.54 0.00 0.00 174.62 174.24 2gsg s GLY 61 N -4.29 1.74 0.37 3.99 0.00 0.21 -4.91 107.32 104.43 2gsg s GLY 61 Ca 0.51 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.75 2gsg s GLY 61 CO 0.37 -0.59 1.14 0.99 0.00 0.00 0.00 173.10 175.01 2gsg s ASP 62 N -4.76 6.74 -0.09 1.64 1.11 -1.26 -3.06 116.67 116.98 2gsg s ASP 62 Ca 0.69 2.28 0.00 0.00 0.18 0.00 0.00 52.55 55.70 2gsg s ASP 62 Cb -0.06 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2gsg s ASP 62 CO 0.49 -0.52 0.00 0.61 1.18 0.00 0.00 175.17 176.93 2gsg n GLY 63 N 0.70 0.49 3.62 0.21 0.00 -1.26 -5.02 105.19 103.93 2gsg n GLY 63 Ca 0.03 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.99 5.29 0.55 -0.61 -1.09 -1.17 -5.07 121.20 117.11 2gsg s ILE 64 Ca 0.00 0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 58.51 2gsg s ILE 64 Cb 0.00 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 2gsg s ILE 64 CO 0.00 0.25 1.28 -2.84 -1.23 0.00 0.00 174.94 172.40 2gsg s PRO 65 N 1.62 3.16 0.00 2.79 0.02 -1.26 -4.87 135.00 136.46 2gsg s PRO 65 Ca 0.10 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.24 2gsg s PRO 65 Cb -0.15 -2.17 0.53 0.00 0.02 0.00 0.00 34.50 32.73 2gsg s PRO 65 CO 0.09 -1.11 1.02 -0.40 -0.33 0.00 0.00 177.00 176.27 2gsg n ASP 66 N -1.14 0.00 0.00 2.53 3.85 -1.26 -1.61 116.55 118.92 2gsg n ASP 66 Ca 0.11 -0.22 0.14 0.00 -0.71 0.00 0.00 54.79 54.11 2gsg n ASP 66 Cb 0.47 -0.05 0.65 0.00 -1.35 0.00 0.00 41.12 40.84 2gsg n ASP 66 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2gsg n ARG 67 N -1.05 0.16 -3.77 0.11 1.74 -1.26 -4.66 116.66 107.93 2gsg n ARG 67 Ca 0.06 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.79 2gsg n ARG 67 Cb 0.04 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.86 2gsg n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2gsg s PHE 68 N -2.84 3.17 0.14 -1.55 0.08 -0.63 0.02 117.98 116.36 2gsg s PHE 68 Ca 0.19 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2gsg s PHE 68 Cb 0.19 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2gsg s PHE 68 CO 0.49 -0.17 0.05 -1.54 -0.10 0.00 0.00 175.22 173.95 2gsg s SER 69 N 1.35 0.43 0.10 1.36 1.04 -0.36 -4.98 113.70 112.66 2gsg s SER 69 Ca 0.06 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.30 2gsg s SER 69 Cb -0.15 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2gsg s SER 69 CO 0.05 -0.71 -0.09 -0.83 0.98 0.00 0.00 173.24 172.64 2gsg s GLY 70 N -3.07 0.85 0.25 7.32 0.00 -1.26 0.25 107.32 111.66 2gsg s GLY 70 Ca 0.25 -1.27 -0.15 0.00 0.00 0.00 0.00 44.72 43.56 2gsg s GLY 70 CO 0.03 -1.35 0.53 -1.35 0.00 0.00 0.00 173.10 170.96 2gsg s SER 71 N -2.69 -0.14 0.10 1.64 1.04 -0.97 -4.80 113.70 107.88 2gsg s SER 71 Ca 0.08 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.69 2gsg s SER 71 Cb -0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2gsg s SER 71 CO -0.01 -1.18 -0.05 -0.44 0.98 0.00 0.00 173.24 172.54 2gsg s SER 72 N -2.99 0.98 -0.44 7.02 0.01 -1.26 -0.76 113.70 116.26 2gsg s SER 72 Ca 0.19 -1.03 0.07 0.00 1.31 0.00 0.00 55.95 56.49 2gsg s SER 72 Cb -0.02 0.13 0.18 0.00 0.21 0.00 0.00 66.02 66.52 2gsg s SER 72 CO 0.08 -0.52 0.62 -0.55 0.41 0.00 0.00 173.24 173.28 2gsg s SER 73 N -3.03 -1.03 1.38 2.44 0.15 -1.01 -4.82 113.70 107.77 2gsg s SER 73 Ca 0.13 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2gsg s SER 73 Cb 0.06 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2gsg s SER 73 CO -0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2gsg n GLY 74 N 3.85 3.02 0.09 9.45 0.00 -1.26 -2.07 105.19 118.26 2gsg n GLY 74 Ca 0.14 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 10.52 2.83 -1.98 4.61 0.00 -1.26 -4.73 120.51 130.50 2gsg n ALA 75 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 2gsg n ALA 75 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.64 7.16 -0.06 0.00 1.11 -0.88 -0.25 116.67 121.11 2gsg s ASP 76 Ca 0.23 1.57 0.01 0.00 0.18 0.00 0.00 52.55 54.55 2gsg s ASP 76 Cb 0.19 -2.48 0.02 0.00 1.07 0.00 0.00 42.92 41.73 2gsg s ASP 76 CO 0.52 -0.01 -0.06 -0.13 1.18 0.00 0.00 175.17 176.68 2gsg s ARG 77 N -2.02 1.04 -0.04 8.23 1.81 0.08 -2.42 118.95 125.63 2gsg s ARG 77 Ca 0.46 -0.15 0.05 0.00 -1.72 0.00 0.00 55.73 54.37 2gsg s ARG 77 Cb -0.17 -1.05 -0.02 0.00 -0.45 0.00 0.00 34.95 33.25 2gsg s ARG 77 CO 0.22 -0.12 -0.20 0.71 -0.68 0.00 0.00 175.30 175.23 2gsg s TYR 78 N 1.12 2.53 -0.26 -0.53 1.51 0.06 -1.11 117.35 120.67 2gsg s TYR 78 Ca -0.07 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 2gsg s TYR 78 Cb -0.14 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2gsg s TYR 78 CO -0.01 0.01 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.26 2gsg s LEU 79 N -0.52 3.34 -0.21 -1.29 2.96 -0.68 -2.29 118.68 119.98 2gsg s LEU 79 Ca 0.07 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 2gsg s LEU 79 Cb -0.11 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2gsg s LEU 79 CO 0.01 -0.12 0.05 -0.44 -1.32 0.00 0.00 176.35 174.53 2gsg s SER 80 N 1.42 5.30 -0.28 3.68 0.01 0.14 -0.63 113.70 123.34 2gsg s SER 80 Ca 0.02 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 2gsg s SER 80 Cb -0.16 -1.92 0.02 0.00 0.21 0.00 0.00 66.02 64.16 2gsg s SER 80 CO -0.02 0.09 0.04 -0.63 0.41 0.00 0.00 173.24 173.13 2gsg s ILE 81 N 0.89 3.67 -0.07 1.44 1.01 0.28 -1.23 121.20 127.20 2gsg s ILE 81 Ca 0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2gsg s ILE 81 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2gsg s ILE 81 CO 0.02 0.10 0.21 -0.55 0.00 0.00 0.00 174.94 174.72 2gsg s SER 82 N 1.45 6.47 -0.82 3.58 0.15 0.10 0.40 113.70 125.03 2gsg s SER 82 Ca 0.02 0.55 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 2gsg s SER 82 Cb -0.17 -2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2gsg s SER 82 CO 0.01 0.35 0.67 -3.20 1.20 0.00 0.00 173.24 172.26 2gsg n ASN 83 N 1.68 -6.23 -4.67 5.45 4.05 -0.25 -4.77 115.26 110.51 2gsg n ASN 83 Ca -0.16 -0.57 -0.48 0.00 0.45 0.00 0.00 54.58 53.82 2gsg n ASN 83 Cb 0.54 -3.48 -0.05 0.00 1.23 0.00 0.00 39.78 38.02 2gsg n ASN 83 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2gsg n ILE 84 N -2.39 0.31 -3.43 -1.44 5.41 -0.91 -4.54 119.36 112.37 2gsg n ILE 84 Ca -0.15 -0.06 -0.20 0.00 1.00 0.00 0.00 62.75 63.34 2gsg n ILE 84 Cb 0.60 -1.68 -0.02 0.00 -0.71 0.00 0.00 39.64 37.83 2gsg n ILE 84 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gsg s GLN 85 N 2.59 2.57 0.07 0.38 -1.52 -1.26 0.01 119.66 122.50 2gsg s GLN 85 Ca 0.87 -1.51 -0.24 0.00 -1.95 0.00 0.00 55.36 52.53 2gsg s GLN 85 Cb -0.71 -2.46 -0.16 0.00 -0.22 0.00 0.00 33.01 29.46 2gsg s GLN 85 CO 0.46 -0.27 1.64 -1.35 -0.25 0.00 0.00 175.29 175.52 2gsg h PRO 86 N 0.88 -0.02 0.00 2.91 0.11 -1.97 -2.67 132.00 131.23 2gsg h PRO 86 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2gsg h PRO 86 Cb 1.27 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2gsg h PRO 86 CO 0.54 0.08 0.26 -0.85 -0.21 0.00 0.00 178.00 177.82 2gsg n GLU 87 N -5.05 0.09 0.08 1.05 0.28 -1.26 -1.27 120.64 114.55 2gsg n GLU 87 Ca -0.07 0.56 0.13 0.00 -0.16 0.00 0.00 57.16 57.62 2gsg n GLU 87 Cb 0.08 -2.06 0.47 0.00 1.43 0.00 0.00 31.44 31.36 2gsg n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2gsg n ASP 88 N -2.04 0.57 -4.64 -1.84 8.00 -1.01 -4.77 116.55 110.81 2gsg n ASP 88 Ca -0.01 0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 2gsg n ASP 88 Cb 0.28 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.08 3.94 0.04 -1.24 2.12 -0.40 -4.86 118.70 115.23 2gsg s GLU 89 Ca 0.11 2.13 -0.20 0.00 0.36 0.00 0.00 54.97 57.37 2gsg s GLU 89 Cb 0.14 -4.09 0.07 0.00 0.26 0.00 0.00 34.13 30.51 2gsg s GLU 89 CO 0.56 -1.15 0.94 0.00 -0.54 0.00 0.00 175.26 175.07 2gsg n ALA 90 N 8.14 -2.58 -2.79 6.30 0.00 -0.86 -4.57 120.51 124.14 2gsg n ALA 90 Ca 0.20 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 2gsg n ALA 90 Cb 0.43 0.24 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.09 4.49 -0.20 0.00 1.01 -0.64 0.34 121.20 124.11 2gsg s ILE 91 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2gsg s ILE 91 Cb -0.01 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2gsg s ILE 91 CO 0.01 0.54 -0.06 -0.31 0.00 0.00 0.00 174.94 175.12 2gsg s TYR 92 N -0.28 2.93 -0.03 3.97 2.02 0.27 -1.14 117.35 125.10 2gsg s TYR 92 Ca 0.07 -0.82 0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2gsg s TYR 92 Cb -0.12 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 2gsg s TYR 92 CO 0.02 -0.43 -0.25 0.42 -1.57 0.00 0.00 175.55 173.73 2gsg s ILE 93 N 1.14 2.00 0.12 2.71 1.09 0.15 -0.39 121.20 128.03 2gsg s ILE 93 Ca 0.02 -1.07 0.05 0.00 -1.10 0.00 0.00 60.65 58.55 2gsg s ILE 93 Cb -0.14 -1.67 -0.04 0.00 -1.06 0.00 0.00 42.46 39.55 2gsg s ILE 93 CO -0.01 0.56 0.06 0.00 -0.10 0.00 0.00 174.94 175.45 2gsg s GLY 95 N -2.66 0.23 -0.03 0.00 0.00 0.16 -0.67 107.32 104.35 2gsg s GLY 95 Ca 0.29 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 2gsg s GLY 95 CO 0.21 -0.76 0.06 0.54 0.00 0.00 0.00 173.10 173.15 2gsg s VAL 96 N -2.47 -0.03 0.37 1.40 0.11 -0.12 -0.32 120.40 119.34 2gsg s VAL 96 Ca -0.06 0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2gsg s VAL 96 Cb -0.02 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.71 2gsg s VAL 96 CO -0.04 0.05 0.50 -0.83 -3.33 0.00 0.00 175.10 171.45 2gsg s GLY 97 N 0.71 1.75 -0.29 6.54 0.00 -1.26 -1.15 107.32 113.61 2gsg s GLY 97 Ca -0.06 -1.55 -0.27 0.00 0.00 0.00 0.00 44.72 42.84 2gsg s GLY 97 CO -0.03 -1.43 1.43 -0.35 0.00 0.00 0.00 173.10 172.72 2gsg s ASP 98 N -4.24 -0.03 -0.98 1.64 3.68 -0.50 -4.95 116.67 111.29 2gsg s ASP 98 Ca 0.49 0.05 -0.06 0.00 2.13 0.00 0.00 52.55 55.17 2gsg s ASP 98 Cb -0.10 0.05 0.25 0.00 -1.45 0.00 0.00 42.92 41.67 2gsg s ASP 98 CO 0.32 -0.02 0.92 0.42 0.13 0.00 0.00 175.17 176.94 2gsg s THR 99 N -0.39 5.14 0.00 1.71 -4.23 -1.26 -0.88 115.64 115.73 2gsg s THR 99 Ca 0.08 -3.60 0.00 0.00 -1.18 0.00 0.00 61.69 57.00 2gsg s THR 99 Cb -0.03 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.67 2gsg s THR 99 CO -0.13 -1.13 0.21 -0.38 -0.54 0.00 0.00 174.62 172.65 2gsg n ILE 100 N 2.58 0.00 -2.86 2.99 5.41 -1.12 -4.11 119.36 122.25 2gsg n ILE 100 Ca 0.22 0.71 -0.42 0.00 1.00 0.00 0.00 62.75 64.26 2gsg n ILE 100 Cb 0.38 -1.68 0.01 0.00 -0.71 0.00 0.00 39.64 37.65 2gsg n ILE 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2gsg n LYS 101 N -0.22 4.81 -1.13 0.38 4.81 -1.26 -4.64 118.16 120.91 2gsg n LYS 101 Ca 0.00 -4.57 -0.06 0.00 -0.87 0.00 0.00 58.31 52.81 2gsg n LYS 101 Cb 0.00 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 32.52 2gsg n LYS 101 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gsg n GLU 102 N 0.89 -1.84 -4.55 1.64 1.02 -1.26 -4.92 120.64 111.63 2gsg n GLU 102 Ca 0.33 0.68 -0.22 0.00 -0.02 0.00 0.00 57.16 57.93 2gsg n GLU 102 Cb 0.31 -5.06 -0.15 0.00 -0.02 0.00 0.00 31.44 26.51 2gsg n GLU 102 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2gsg s GLN 103 N -2.41 1.13 0.53 3.49 0.74 -1.26 -5.08 119.66 116.80 2gsg s GLN 103 Ca 0.00 -0.42 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 2gsg s GLN 103 Cb 0.00 -1.05 -0.09 0.00 1.10 0.00 0.00 33.01 32.97 2gsg s GLN 103 CO 0.00 0.21 0.70 1.19 -0.55 0.00 0.00 175.29 176.84 2gsg n PHE 104 N 3.03 -0.03 -3.69 1.67 0.99 -1.26 -2.81 117.46 115.35 2gsg n PHE 104 Ca -0.16 0.48 -0.14 0.00 -0.00 0.00 0.00 57.45 57.62 2gsg n PHE 104 Cb 0.55 -2.04 -0.08 0.00 -1.00 0.00 0.00 39.48 36.90 2gsg n PHE 104 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2gsg s VAL 105 N -1.57 0.03 -0.25 -4.37 1.01 -0.06 -4.86 120.40 110.33 2gsg s VAL 105 Ca 0.69 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2gsg s VAL 105 Cb -0.48 -0.71 0.11 0.00 0.00 0.00 0.00 36.38 35.30 2gsg s VAL 105 CO 0.53 -0.12 0.52 -0.47 0.00 0.00 0.00 175.10 175.57 2gsg s TYR 106 N -0.76 -1.05 -0.06 5.22 5.04 -1.26 -1.40 117.35 123.07 2gsg s TYR 106 Ca -0.08 1.89 0.03 0.00 -2.44 0.00 0.00 57.07 56.46 2gsg s TYR 106 Cb -0.03 0.53 -0.03 0.00 0.35 0.00 0.00 41.96 42.78 2gsg s TYR 106 CO 0.04 -0.57 -0.13 0.08 -1.34 0.00 0.00 175.55 173.63 2gsg s VAL 107 N 2.74 3.20 0.28 3.14 1.01 -0.30 -4.95 120.40 125.53 2gsg s VAL 107 Ca -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2gsg s VAL 107 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2gsg s VAL 107 CO -0.16 0.59 0.14 -0.36 0.00 0.00 0.00 175.10 175.31 2gsg s PHE 108 N -0.65 2.88 0.63 5.22 0.40 -1.26 -0.94 117.98 124.26 2gsg s PHE 108 Ca 0.10 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 2gsg s PHE 108 Cb -0.11 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.08 2gsg s PHE 108 CO 0.01 0.48 0.88 0.20 0.70 0.00 0.00 175.22 177.48 2gsg s GLY 109 N -3.81 1.79 0.17 4.36 0.00 0.15 -4.62 107.32 105.36 2gsg s GLY 109 Ca 0.34 -1.62 0.20 0.00 0.00 0.00 0.00 44.72 43.64 2gsg s GLY 109 CO 0.23 -1.18 1.61 0.61 0.00 0.00 0.00 173.10 174.37 2gsg n GLY 110 N -2.55 -1.15 0.00 0.20 0.00 -1.26 -4.77 105.19 95.66 2gsg n GLY 110 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.09 -1.36 2.98 -0.02 0.00 -1.26 -5.01 105.19 100.42 2gsg n GLY 111 Ca 0.02 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.35 1.07 -0.22 2.61 2.01 0.48 -4.90 115.64 113.34 2gsg s THR 112 Ca 0.00 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 2gsg s THR 112 Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2gsg s THR 112 CO 0.00 0.35 0.42 -0.75 -0.69 0.00 0.00 174.62 173.95 2gsg s LYS 113 N 1.03 4.14 -0.27 4.92 2.20 -1.26 0.96 119.74 131.45 2gsg s LYS 113 Ca -0.08 0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 55.65 2gsg s LYS 113 Cb -0.15 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2gsg s LYS 113 CO -0.01 -0.12 0.12 0.08 -0.36 0.00 0.00 175.35 175.07 2gsg s VAL 114 N 1.56 4.65 -0.03 4.02 1.01 0.15 -2.36 120.40 129.39 2gsg s VAL 114 Ca 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2gsg s VAL 114 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2gsg s VAL 114 CO 0.08 0.26 -0.05 0.42 0.00 0.00 0.00 175.10 175.81 2gsg s THR 115 N 1.65 3.83 -2.56 3.92 -4.23 -0.60 -2.03 115.64 115.62 2gsg s THR 115 Ca 0.06 -0.57 0.21 0.00 -1.18 0.00 0.00 61.69 60.20 2gsg s THR 115 Cb -0.16 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.22 2gsg s THR 115 CO 0.06 0.49 1.15 0.52 -0.54 0.00 0.00 174.62 176.30