#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0k s ALA 2 N 0.00 3.12 1.16 0.00 0.00 -1.26 -4.33 121.76 120.45 2g0k s ALA 2 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.02 2g0k s ALA 2 Cb 0.00 -2.37 0.25 0.00 0.00 0.00 0.00 23.12 21.00 2g0k s ALA 2 CO 0.00 -1.37 1.01 -0.35 0.00 0.00 0.00 175.76 175.05 2g0k n PRO 3 N 4.86 -2.44 -3.39 0.00 -0.04 -1.26 -4.04 135.00 128.68 2g0k n PRO 3 Ca -0.12 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.30 2g0k n PRO 3 Cb 0.45 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2g0k n PRO 3 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2g0k s THR 4 N -2.95 5.18 0.21 0.52 2.01 0.22 -2.18 115.64 118.65 2g0k s THR 4 Ca 0.63 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.15 2g0k s THR 4 Cb -0.05 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2g0k s THR 4 CO 0.47 -0.39 -0.18 0.00 -0.69 0.00 0.00 174.62 173.84 2g0k s ALA 5 N 1.87 2.21 -0.08 7.40 0.00 -1.25 0.79 121.76 132.70 2g0k s ALA 5 Ca 0.08 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2g0k s ALA 5 Cb -0.19 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2g0k s ALA 5 CO 0.11 0.20 -0.15 0.95 0.00 0.00 0.00 175.76 176.87 2g0k s THR 6 N -2.46 1.39 0.11 0.00 -4.23 0.95 -4.89 115.64 106.50 2g0k s THR 6 Ca 0.22 -0.62 0.10 0.00 -1.18 0.00 0.00 61.69 60.21 2g0k s THR 6 Cb -0.04 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 2g0k s THR 6 CO 0.09 0.41 -0.25 0.54 -0.54 0.00 0.00 174.62 174.87 2g0k s VAL 7 N 0.63 2.32 0.93 2.29 0.11 -1.22 -0.66 120.40 124.81 2g0k s VAL 7 Ca -0.15 -1.63 -0.12 0.00 -2.93 0.00 0.00 61.98 57.16 2g0k s VAL 7 Cb -0.16 -2.01 0.15 0.00 -1.53 0.00 0.00 36.38 32.83 2g0k s VAL 7 CO 0.04 0.16 1.09 0.28 -3.33 0.00 0.00 175.10 173.34 2g0k s THR 8 N -1.01 2.50 -0.20 5.04 -1.32 -0.72 -4.89 115.64 115.04 2g0k s THR 8 Ca 0.14 0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.49 2g0k s THR 8 Cb -0.10 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 2g0k s THR 8 CO 0.06 -0.21 1.44 -2.16 -2.21 0.00 0.00 174.62 171.54 2g0k s PRO 9 N -4.89 4.01 -0.03 7.08 0.04 -1.26 -4.70 135.00 135.26 2g0k s PRO 9 Ca 0.64 1.64 0.04 0.00 0.04 0.00 0.00 61.00 63.37 2g0k s PRO 9 Cb -0.19 -3.91 0.06 0.00 0.04 0.00 0.00 34.50 30.50 2g0k s PRO 9 CO 0.58 -1.01 0.89 0.43 0.04 0.00 0.00 177.00 177.92 2g0k n SER 10 N 7.51 1.10 -4.52 6.66 7.64 -1.26 -4.95 113.62 125.80 2g0k n SER 10 Ca 0.16 -1.94 -0.43 0.00 1.01 0.00 0.00 58.87 57.67 2g0k n SER 10 Cb 0.45 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 2g0k n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2g0k s SER 11 N -1.11 6.34 0.00 6.43 0.01 -1.23 -3.35 113.70 120.79 2g0k s SER 11 Ca 0.07 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2g0k s SER 11 Cb 0.06 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2g0k s SER 11 CO 0.01 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2g0k n GLY 12 N 5.11 0.98 3.60 3.44 0.00 -1.22 -4.44 105.19 112.65 2g0k n GLY 12 Ca 0.02 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2g0k n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 13 N 0.00 3.52 0.00 0.99 1.43 -1.21 -4.47 118.68 118.94 2g0k s LEU 13 Ca 0.00 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2g0k s LEU 13 Cb 0.00 -1.85 0.18 0.00 0.03 0.00 0.00 46.19 44.55 2g0k s LEU 13 CO 0.00 0.24 1.14 -1.20 0.23 0.00 0.00 176.35 176.75 2g0k n SER 14 N 3.08 0.83 -4.32 2.29 7.64 -1.26 -4.85 113.62 117.04 2g0k n SER 14 Ca -0.18 -1.87 -0.38 0.00 1.01 0.00 0.00 58.87 57.46 2g0k n SER 14 Cb 0.53 -0.80 0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2g0k n SER 14 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2g0k n ASP 15 N -3.30 -2.73 0.00 6.43 -0.08 -1.26 -2.40 116.55 113.20 2g0k n ASP 15 Ca 0.17 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 2g0k n ASP 15 Cb 0.59 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 43.04 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g0k n GLY 16 N 2.24 3.29 3.75 0.27 0.00 -1.26 -5.04 105.19 108.44 2g0k n GLY 16 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2g0k n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 17 N -2.71 2.57 -0.15 2.61 2.01 -1.01 -4.99 115.64 113.98 2g0k s THR 17 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2g0k s THR 17 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.46 2g0k s THR 17 CO 0.00 -0.09 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.02 2g0k s VAL 18 N -1.68 1.46 -0.33 3.82 1.01 -1.26 -3.20 120.40 120.22 2g0k s VAL 18 Ca 0.77 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2g0k s VAL 18 Cb -0.30 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2g0k s VAL 18 CO 0.36 0.40 0.42 0.68 0.00 0.00 0.00 175.10 176.96 2g0k s VAL 19 N 1.53 5.11 -0.35 2.92 -7.23 0.27 -4.86 120.40 117.80 2g0k s VAL 19 Ca 0.04 0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.26 2g0k s VAL 19 Cb -0.13 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 32.97 2g0k s VAL 19 CO -0.10 -0.08 0.82 -0.75 -0.31 0.00 0.00 175.10 174.69 2g0k s LYS 20 N 2.17 3.84 -0.28 4.82 2.36 -1.26 -0.50 119.74 130.89 2g0k s LYS 20 Ca 0.15 0.47 -0.10 0.00 -2.55 0.00 0.00 55.97 53.94 2g0k s LYS 20 Cb -0.16 -3.78 -0.04 0.00 -1.05 0.00 0.00 37.83 32.80 2g0k s LYS 20 CO 0.12 -0.82 0.15 0.08 1.55 0.00 0.00 175.35 176.42 2g0k s VAL 21 N 3.15 4.91 -0.12 4.02 1.01 -0.34 -1.75 120.40 131.27 2g0k s VAL 21 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2g0k s VAL 21 Cb -0.13 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2g0k s VAL 21 CO 0.16 0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 2g0k s ALA 22 N 1.70 1.25 0.22 5.51 0.00 0.17 -1.47 121.76 129.12 2g0k s ALA 22 Ca 0.07 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2g0k s ALA 22 Cb -0.16 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 2g0k s ALA 22 CO 0.08 -0.55 0.57 0.20 0.00 0.00 0.00 175.76 176.07 2g0k s GLY 23 N 1.74 2.33 -0.19 0.00 0.00 -0.94 0.32 107.32 110.58 2g0k s GLY 23 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 2g0k s GLY 23 CO -0.08 -0.01 0.22 0.00 0.00 0.00 0.00 173.10 173.23 2g0k s ALA 24 N -1.74 -0.26 0.00 3.20 0.00 4.23 -2.90 121.76 124.28 2g0k s ALA 24 Ca 0.46 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2g0k s ALA 24 Cb -0.12 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2g0k s ALA 24 CO 0.20 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2g0k n GLY 25 N 5.32 1.00 3.96 0.00 0.00 -1.06 0.70 105.19 115.11 2g0k n GLY 25 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2g0k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 26 N 0.00 3.05 -0.19 0.99 1.02 -0.87 -4.64 118.68 118.04 2g0k s LEU 26 Ca 0.00 0.16 -0.36 0.00 0.02 0.00 0.00 54.13 53.95 2g0k s LEU 26 Cb 0.00 -2.91 -0.13 0.00 0.02 0.00 0.00 46.19 43.17 2g0k s LEU 26 CO 0.00 -1.40 1.87 0.00 0.02 0.00 0.00 176.35 176.84 2g0k n GLN 27 N -2.63 1.68 -2.31 1.70 3.00 -1.26 -4.50 117.38 113.06 2g0k n GLN 27 Ca 0.08 0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 2g0k n GLN 27 Cb 0.60 -2.43 -0.03 0.00 0.00 0.00 0.00 30.24 28.38 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2g0k s ALA 28 N 4.28 3.48 0.00 -1.58 0.00 -1.26 -2.15 121.76 124.53 2g0k s ALA 28 Ca 0.97 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2g0k s ALA 28 Cb -0.85 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2g0k s ALA 28 CO 0.57 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2g0k n GLY 29 N 3.21 0.53 3.87 0.00 0.00 -0.25 -4.93 105.19 107.61 2g0k n GLY 29 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 30 N -2.25 5.14 0.29 2.61 2.01 -0.91 -4.81 115.64 117.71 2g0k s THR 30 Ca 0.00 0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 2g0k s THR 30 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 2g0k s THR 30 CO 0.00 0.26 0.63 0.00 -0.69 0.00 0.00 174.62 174.83 2g0k s ALA 31 N -1.42 3.48 0.00 7.40 0.00 -1.26 -1.73 121.76 128.22 2g0k s ALA 31 Ca 0.33 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2g0k s ALA 31 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 2g0k s ALA 31 CO 0.19 0.34 -0.02 0.71 0.00 0.00 0.00 175.76 176.98 2g0k s TYR 32 N -1.99 0.16 -0.33 0.00 2.02 -0.87 -4.41 117.35 111.93 2g0k s TYR 32 Ca 0.49 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 57.04 2g0k s TYR 32 Cb -0.11 -0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2g0k s TYR 32 CO 0.23 -0.01 0.17 -0.51 -1.57 0.00 0.00 175.55 173.85 2g0k s ASP 33 N -0.12 5.59 -0.00 2.29 1.01 0.39 -3.05 116.67 122.78 2g0k s ASP 33 Ca -0.00 -0.65 -0.02 0.00 0.71 0.00 0.00 52.55 52.59 2g0k s ASP 33 Cb -0.01 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2g0k s ASP 33 CO -0.00 -0.24 0.17 -0.69 0.21 0.00 0.00 175.17 174.61 2g0k s VAL 34 N 1.60 5.32 0.05 -1.27 1.01 0.25 0.83 120.40 128.19 2g0k s VAL 34 Ca 0.04 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 2g0k s VAL 34 Cb -0.18 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2g0k s VAL 34 CO 0.06 0.31 1.04 -0.83 0.00 0.00 0.00 175.10 175.68 2g0k s GLY 35 N -1.97 -0.33 -0.23 4.51 0.00 2.64 -0.67 107.32 111.27 2g0k s GLY 35 Ca 0.27 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 2g0k s GLY 35 CO 0.19 0.15 -0.03 1.62 0.00 0.00 0.00 173.10 175.03 2g0k s GLN 36 N -2.99 3.29 0.08 2.90 0.74 -1.26 0.05 119.66 122.48 2g0k s GLN 36 Ca 0.11 -0.68 0.08 0.00 0.05 0.00 0.00 55.36 54.92 2g0k s GLN 36 Cb 0.00 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 2g0k s GLN 36 CO -0.02 -0.25 -0.22 0.00 -0.55 0.00 0.00 175.29 174.25 2g0k s ALA 38 N -1.00 1.82 -0.01 0.00 0.00 0.72 -1.85 121.76 121.42 2g0k s ALA 38 Ca 0.08 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 2g0k s ALA 38 Cb -0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 2g0k s ALA 38 CO 0.04 0.34 1.68 -0.46 0.00 0.00 0.00 175.76 177.36 2g0k s TRP 39 N -0.07 2.03 -0.24 0.00 -0.00 -1.25 -0.55 118.94 118.86 2g0k s TRP 39 Ca -0.03 0.17 -0.03 0.00 -0.00 0.00 0.00 56.10 56.21 2g0k s TRP 39 Cb -0.12 -3.95 -0.14 0.00 -0.00 0.00 0.00 33.47 29.26 2g0k s TRP 39 CO 0.03 -3.99 -0.24 1.33 -0.00 0.00 0.00 176.95 174.08 2g0k n VAL 40 N 5.29 1.34 -4.24 5.86 0.24 0.12 -4.89 118.33 122.05 2g0k n VAL 40 Ca 0.17 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2g0k n VAL 40 Cb 0.42 -1.50 -0.10 0.00 -1.47 0.00 0.00 33.84 31.19 2g0k n VAL 40 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2g0k s ASP 41 N -6.59 1.06 -0.31 -1.34 1.11 0.27 -5.00 116.67 105.88 2g0k s ASP 41 Ca -0.32 -1.22 -0.35 0.00 0.18 0.00 0.00 52.55 50.84 2g0k s ASP 41 Cb 0.10 0.15 -0.11 0.00 1.07 0.00 0.00 42.92 44.13 2g0k s ASP 41 CO 0.50 -0.62 2.12 1.07 1.18 0.00 0.00 175.17 179.42 2g0k n THR 42 N -0.26 0.25 -0.98 -1.27 5.66 -1.26 0.18 114.28 116.60 2g0k n THR 42 Ca -0.05 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2g0k n THR 42 Cb 0.64 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 6.07 0.32 3.00 1.09 0.00 -1.26 -4.97 105.19 109.44 2g0k n GLY 43 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 2g0k n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 44 N -1.69 1.69 -0.02 1.61 1.01 0.48 -5.09 120.40 118.39 2g0k s VAL 44 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.93 2g0k s VAL 44 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2g0k s VAL 44 CO 0.00 0.12 -0.17 -1.48 0.00 0.00 0.00 175.10 173.57 2g0k s LEU 45 N 1.36 2.01 0.01 3.92 2.34 -1.26 0.95 118.68 128.02 2g0k s LEU 45 Ca -0.02 -0.32 -0.07 0.00 0.06 0.00 0.00 54.13 53.77 2g0k s LEU 45 Cb -0.17 -0.91 -0.05 0.00 -0.56 0.00 0.00 46.19 44.50 2g0k s LEU 45 CO -0.08 0.20 0.29 0.00 -1.06 0.00 0.00 176.35 175.70 2g0k s ALA 46 N -0.33 3.82 0.23 1.48 0.00 0.29 -3.11 121.76 124.15 2g0k s ALA 46 Ca 0.05 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.54 2g0k s ALA 46 Cb -0.08 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 2g0k s ALA 46 CO -0.00 0.63 0.14 0.00 0.00 0.00 0.00 175.76 176.53 2g0k s ASN 48 N -3.57 4.66 0.00 0.00 2.47 -0.78 0.27 114.94 117.99 2g0k s ASN 48 Ca 0.32 -1.18 0.19 0.00 0.42 0.00 0.00 52.86 52.61 2g0k s ASN 48 Cb -0.08 -1.67 1.12 0.00 -1.45 0.00 0.00 41.25 39.16 2g0k s ASN 48 CO 0.23 -0.21 1.52 -0.81 -3.72 0.00 0.00 177.10 174.11 2g0k n PRO 49 N 4.61 0.62 0.01 0.43 -0.04 -1.26 -2.08 135.00 137.28 2g0k n PRO 49 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2g0k n PRO 49 Cb 0.44 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -0.97 3.39 -2.03 0.55 0.00 -1.26 -3.90 120.51 116.29 2g0k n ALA 50 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2g0k n ALA 50 Cb 0.06 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.47 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -1.60 1.25 -4.56 0.00 5.68 -0.88 -5.03 116.55 111.41 2g0k n ASP 51 Ca 0.05 -2.75 -0.42 0.00 -0.50 0.00 0.00 54.79 51.17 2g0k n ASP 51 Cb 0.35 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2g0k s PHE 52 N -1.34 2.59 0.50 2.11 0.08 -1.22 -4.09 117.98 116.60 2g0k s PHE 52 Ca 0.32 0.18 0.09 0.00 0.12 0.00 0.00 56.93 57.64 2g0k s PHE 52 Cb 0.33 -4.43 0.05 0.00 -0.57 0.00 0.00 43.02 38.40 2g0k s PHE 52 CO -0.10 -1.63 0.65 0.45 -0.10 0.00 0.00 175.22 174.49 2g0k s SER 53 N 3.11 5.32 0.05 1.36 0.15 0.15 -4.99 113.70 118.85 2g0k s SER 53 Ca 0.38 -0.68 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 2g0k s SER 53 Cb -0.09 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2g0k s SER 53 CO 0.21 -1.04 0.17 -0.94 1.20 0.00 0.00 173.24 172.84 2g0k s SER 54 N -4.48 0.10 0.00 5.45 1.04 -1.26 -2.18 113.70 112.37 2g0k s SER 54 Ca 0.57 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 56.23 2g0k s SER 54 Cb -0.07 0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.43 2g0k s SER 54 CO 0.35 -0.59 0.86 0.54 0.98 0.00 0.00 173.24 175.38 2g0k s VAL 55 N -2.90 0.00 -0.02 5.02 0.11 -1.17 -4.92 120.40 116.52 2g0k s VAL 55 Ca -0.02 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 55 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2g0k s VAL 55 CO -0.06 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.66 2g0k s THR 56 N -3.06 1.31 0.26 5.04 2.01 -1.26 -2.05 115.64 117.88 2g0k s THR 56 Ca 0.04 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 2g0k s THR 56 Cb -0.01 -1.09 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 2g0k s THR 56 CO -0.09 0.37 0.94 0.00 -0.69 0.00 0.00 174.62 175.16 2g0k s ALA 57 N -0.34 3.31 0.90 7.40 0.00 -0.71 -4.57 121.76 127.75 2g0k s ALA 57 Ca 0.05 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 2g0k s ALA 57 Cb -0.07 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.90 2g0k s ALA 57 CO -0.00 0.20 0.29 -0.40 0.00 0.00 0.00 175.76 175.85 2g0k n ASP 58 N 1.27 0.08 0.26 0.00 5.68 -0.59 -1.09 116.55 122.15 2g0k n ASP 58 Ca -0.01 -1.14 0.10 0.00 -0.50 0.00 0.00 54.79 53.24 2g0k n ASP 58 Cb 0.48 -0.22 0.67 0.00 -1.14 0.00 0.00 41.12 40.91 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0k h ALA 59 N -1.68 1.64 0.00 2.12 0.00 -1.91 0.13 119.26 119.56 2g0k h ALA 59 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 59 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2g0k h ALA 59 CO 0.07 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.72 2g0k n ASN 60 N -4.13 0.00 -0.67 0.00 5.15 -1.26 -4.82 115.26 109.53 2g0k n ASN 60 Ca -0.03 0.16 -0.05 0.00 -0.60 0.00 0.00 54.58 54.06 2g0k n ASN 60 Cb 0.17 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.06 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g0k n GLY 61 N 0.70 0.19 3.16 8.20 0.00 0.44 -4.68 105.19 113.19 2g0k n GLY 61 Ca 0.09 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2g0k n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g0k s SER 62 N -2.79 2.26 0.21 1.61 1.04 -1.26 -2.05 113.70 112.73 2g0k s SER 62 Ca 0.01 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.17 2g0k s SER 62 Cb -0.01 -0.56 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 2g0k s SER 62 CO 0.02 0.18 -0.19 0.00 0.98 0.00 0.00 173.24 174.23 2g0k s ALA 63 N -0.07 2.29 -0.04 5.32 0.00 -1.14 -1.54 121.76 126.58 2g0k s ALA 63 Ca -0.02 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 2g0k s ALA 63 Cb -0.11 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2g0k s ALA 63 CO 0.02 0.24 0.01 -1.12 0.00 0.00 0.00 175.76 174.91 2g0k s SER 64 N -3.04 0.75 0.13 0.00 0.01 -1.26 -2.21 113.70 108.07 2g0k s SER 64 Ca 0.22 -0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 2g0k s SER 64 Cb -0.05 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2g0k s SER 64 CO 0.09 -0.14 0.31 0.28 0.41 0.00 0.00 173.24 174.20 2g0k s THR 65 N 1.38 0.09 -0.25 1.44 -1.32 -0.54 -4.86 115.64 111.57 2g0k s THR 65 Ca -0.05 -0.99 0.01 0.00 -1.21 0.00 0.00 61.69 59.45 2g0k s THR 65 Cb -0.13 -1.42 0.07 0.00 -1.51 0.00 0.00 72.50 69.51 2g0k s THR 65 CO -0.03 -0.41 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.50 2g0k s SER 66 N -2.87 3.95 0.28 8.08 0.01 -1.26 -1.20 113.70 120.69 2g0k s SER 66 Ca 0.07 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2g0k s SER 66 Cb 0.03 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 2g0k s SER 66 CO -0.08 -0.26 0.48 -0.22 0.41 0.00 0.00 173.24 173.57 2g0k s LEU 67 N 1.37 4.12 -0.08 2.44 0.20 0.35 -4.94 118.68 122.14 2g0k s LEU 67 Ca -0.04 0.41 -0.01 0.00 0.69 0.00 0.00 54.13 55.18 2g0k s LEU 67 Cb -0.19 -3.23 -0.03 0.00 -0.43 0.00 0.00 46.19 42.31 2g0k s LEU 67 CO -0.08 -0.18 -0.01 0.28 -0.29 0.00 0.00 176.35 176.07 2g0k s THR 68 N -2.12 4.21 -0.20 3.68 -1.32 -1.26 -0.56 115.64 118.07 2g0k s THR 68 Ca 0.39 -0.29 -0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2g0k s THR 68 Cb -0.10 -2.77 -0.02 0.00 -1.51 0.00 0.00 72.50 68.10 2g0k s THR 68 CO 0.32 0.60 -0.02 0.54 -2.21 0.00 0.00 174.62 173.85 2g0k s VAL 69 N -0.88 3.72 0.23 5.08 0.11 -1.19 -4.83 120.40 122.64 2g0k s VAL 69 Ca 0.13 -0.39 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2g0k s VAL 69 Cb -0.11 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 2g0k s VAL 69 CO 0.02 0.43 0.06 -0.13 -3.33 0.00 0.00 175.10 172.15 2g0k s ARG 70 N 1.14 2.54 0.08 1.54 3.00 -1.26 -4.17 118.95 121.82 2g0k s ARG 70 Ca 0.02 -1.18 0.25 0.00 0.00 0.00 0.00 55.73 54.82 2g0k s ARG 70 Cb -0.14 -2.36 0.50 0.00 0.00 0.00 0.00 34.95 32.94 2g0k s ARG 70 CO 0.01 0.41 1.43 0.54 0.00 0.00 0.00 175.30 177.68 2g0k n ARG 71 N -0.69 0.18 -3.58 3.54 1.74 -1.26 -4.59 116.66 112.01 2g0k n ARG 71 Ca -0.08 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 2g0k n ARG 71 Cb 0.57 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2g0k s SER 72 N -3.79 -0.58 -0.27 0.55 0.01 -1.26 -0.15 113.70 108.22 2g0k s SER 72 Ca 0.09 0.87 -0.30 0.00 1.31 0.00 0.00 55.95 57.92 2g0k s SER 72 Cb 0.15 0.80 0.18 0.00 0.21 0.00 0.00 66.02 67.36 2g0k s SER 72 CO 0.69 -0.37 1.31 0.72 0.41 0.00 0.00 173.24 176.00 2g0k s PHE 73 N -0.49 -0.08 -0.25 2.43 -0.12 -0.74 -4.94 117.98 113.78 2g0k s PHE 73 Ca -0.03 0.14 -0.34 0.00 -0.05 0.00 0.00 56.93 56.64 2g0k s PHE 73 Cb -0.02 0.49 -0.11 0.00 -0.63 0.00 0.00 43.02 42.75 2g0k s PHE 73 CO 0.03 -0.08 2.08 -0.85 -0.05 0.00 0.00 175.22 176.35 2g0k n GLU 74 N 0.51 1.53 -2.34 1.99 0.28 -1.26 0.26 120.64 121.61 2g0k n GLU 74 Ca -0.01 0.48 -0.40 0.00 -0.16 0.00 0.00 57.16 57.06 2g0k n GLU 74 Cb 0.59 -2.62 -0.03 0.00 1.43 0.00 0.00 31.44 30.81 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2g0k s GLY 75 N 6.35 0.67 -0.69 -1.84 0.00 0.25 -4.23 107.32 107.82 2g0k s GLY 75 Ca 1.03 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 44.55 2g0k s GLY 75 CO 0.49 2.94 1.14 -1.36 0.00 0.00 0.00 173.10 176.30 2g0k s PHE 76 N 6.88 2.47 0.17 1.90 0.08 0.76 -0.93 117.98 129.32 2g0k s PHE 76 Ca 0.50 -0.21 -0.33 0.00 0.12 0.00 0.00 56.93 57.01 2g0k s PHE 76 Cb -0.10 -4.47 -0.14 0.00 -0.57 0.00 0.00 43.02 37.74 2g0k s PHE 76 CO 0.20 -1.85 1.51 -0.11 -0.10 0.00 0.00 175.22 174.86 2g0k n LEU 77 N 8.61 2.96 -0.35 -0.37 7.94 0.11 0.27 117.00 136.17 2g0k n LEU 77 Ca 0.01 1.10 0.26 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.48 -1.40 0.55 0.00 0.53 0.00 0.00 43.42 43.57 2g0k n LEU 77 CO 0.68 -0.41 1.22 2.19 -1.11 0.00 0.00 177.39 179.96 2g0k h PHE 78 N 5.35 0.60 0.00 1.96 -5.15 -1.84 1.65 116.94 119.51 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2g0k h PHE 78 Cb 1.27 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.27 2g0k h PHE 78 CO 0.61 -0.00 0.09 0.22 -2.00 0.00 0.00 178.31 177.23 2g0k h ASP 79 N 0.31 0.00 0.00 -0.68 3.58 -1.89 -3.44 116.42 114.30 2g0k h ASP 79 Ca 0.64 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2g0k h ASP 79 Cb 1.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2g0k h ASP 79 CO -0.31 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.66 2g0k n GLY 80 N -1.24 1.50 3.53 -0.78 0.00 0.56 -5.10 105.19 103.66 2g0k n GLY 80 Ca -0.02 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2g0k n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 81 N -2.00 2.99 -0.73 2.61 2.01 -1.07 -4.93 115.64 114.52 2g0k s THR 81 Ca 0.00 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 60.12 2g0k s THR 81 Cb 0.00 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 70.13 2g0k s THR 81 CO 0.00 -0.04 1.10 -0.13 -0.69 0.00 0.00 174.62 174.87 2g0k s ARG 82 N -2.57 3.20 0.13 4.92 1.81 -1.26 0.09 118.95 125.26 2g0k s ARG 82 Ca 0.22 -0.73 -0.14 0.00 -1.72 0.00 0.00 55.73 53.36 2g0k s ARG 82 Cb -0.09 -4.33 -0.01 0.00 -0.45 0.00 0.00 34.95 30.07 2g0k s ARG 82 CO 0.13 -1.94 1.60 2.35 -0.68 0.00 0.00 175.30 176.75 2g0k h TRP 83 N 9.68 0.77 0.00 -0.53 2.91 -1.40 -3.48 115.95 123.90 2g0k h TRP 83 Ca -0.22 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 59.68 2g0k h TRP 83 Cb 1.06 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 2g0k h TRP 83 CO 1.05 0.76 0.00 0.41 -1.03 0.00 0.00 178.44 179.63 2g0k n GLY 84 N -0.45 1.85 3.58 2.65 0.00 -1.22 -4.94 105.19 106.66 2g0k n GLY 84 Ca -0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2g0k n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g0k n THR 85 N -1.57 0.24 -2.58 2.61 -1.04 -1.26 0.87 114.28 111.54 2g0k n THR 85 Ca 0.00 -0.53 -0.32 0.00 -2.04 0.00 0.00 64.05 61.15 2g0k n THR 85 Cb 0.00 -2.58 -0.05 0.00 -1.82 0.00 0.00 70.33 65.88 2g0k n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2g0k s VAL 86 N 9.20 4.47 -0.41 12.58 1.01 0.14 -4.84 120.40 142.55 2g0k s VAL 86 Ca 1.01 1.34 0.04 0.00 0.00 0.00 0.00 61.98 64.36 2g0k s VAL 86 Cb -0.33 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.50 2g0k s VAL 86 CO 0.34 -0.53 0.14 -1.81 0.00 0.00 0.00 175.10 173.24 2g0k s ASP 87 N -2.68 4.56 0.63 3.32 1.01 -1.26 -1.79 116.67 120.45 2g0k s ASP 87 Ca 0.60 -2.50 0.30 0.00 0.71 0.00 0.00 52.55 51.66 2g0k s ASP 87 Cb -0.10 -1.61 1.64 0.00 1.01 0.00 0.00 42.92 43.86 2g0k s ASP 87 CO 0.23 -0.32 1.98 0.00 0.21 0.00 0.00 175.17 177.27 2g0k n THR 89 N -3.33 0.05 -0.02 0.00 -2.24 -1.22 -3.38 114.28 104.14 2g0k n THR 89 Ca 0.02 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2g0k n THR 89 Cb 0.44 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 2g0k n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2g0k n THR 90 N -0.34 0.18 -4.19 4.28 -1.04 0.48 -5.05 114.28 108.60 2g0k n THR 90 Ca 0.18 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 2g0k n THR 90 Cb 0.21 -0.06 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k s ALA 91 N -2.45 1.34 -0.13 2.41 0.00 -0.90 -5.07 121.76 116.97 2g0k s ALA 91 Ca -0.03 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 49.96 2g0k s ALA 91 Cb 0.04 1.32 -0.05 0.00 0.00 0.00 0.00 23.12 24.43 2g0k s ALA 91 CO 0.34 -0.73 0.37 0.00 0.00 0.00 0.00 175.76 175.74 2g0k s ALA 92 N -3.20 3.56 0.33 0.00 0.00 -1.26 -4.53 121.76 116.66 2g0k s ALA 92 Ca 0.36 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2g0k s ALA 92 Cb 0.01 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2g0k s ALA 92 CO 0.25 0.09 0.34 0.00 0.00 0.00 0.00 175.76 176.43 2g0k s GLN 94 N -4.04 0.98 0.34 0.00 0.74 -0.77 -1.06 119.66 115.85 2g0k s GLN 94 Ca 0.42 0.03 0.07 0.00 0.05 0.00 0.00 55.36 55.93 2g0k s GLN 94 Cb -0.07 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.47 2g0k s GLN 94 CO 0.28 -0.32 0.31 0.08 -0.55 0.00 0.00 175.29 175.09 2g0k s VAL 95 N -1.59 3.45 -0.19 1.34 1.01 -1.15 -0.66 120.40 122.61 2g0k s VAL 95 Ca -0.10 -1.36 -0.35 0.00 0.00 0.00 0.00 61.98 60.17 2g0k s VAL 95 Cb -0.01 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.34 2g0k s VAL 95 CO 0.05 -0.15 1.28 -0.83 0.00 0.00 0.00 175.10 175.45 2g0k s GLY 96 N -4.02 -0.30 -0.09 4.51 0.00 0.11 -3.16 107.32 104.37 2g0k s GLY 96 Ca 0.42 1.52 0.03 0.00 0.00 0.00 0.00 44.72 46.69 2g0k s GLY 96 CO 0.27 0.48 -0.17 0.48 0.00 0.00 0.00 173.10 174.16 2g0k s LEU 97 N -2.30 1.83 -0.03 0.66 2.34 4.66 0.61 118.68 126.46 2g0k s LEU 97 Ca 0.11 -0.43 0.03 0.00 0.06 0.00 0.00 54.13 53.91 2g0k s LEU 97 Cb 0.00 -1.10 -0.03 0.00 -0.56 0.00 0.00 46.19 44.50 2g0k s LEU 97 CO -0.04 0.08 -0.11 -0.44 -1.06 0.00 0.00 176.35 174.77 2g0k s SER 98 N 0.62 4.29 0.00 1.48 0.01 3.97 -2.39 113.70 121.68 2g0k s SER 98 Ca -0.14 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2g0k s SER 98 Cb -0.16 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2g0k s SER 98 CO 0.04 0.33 0.00 -0.90 0.41 0.00 0.00 173.24 173.12 2g0k n ASP 99 N 2.02 0.31 -0.03 2.44 5.75 -1.07 -0.46 116.55 125.51 2g0k n ASP 99 Ca -0.17 -0.20 -0.12 0.00 -0.01 0.00 0.00 54.79 54.28 2g0k n ASP 99 Cb 0.52 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N -0.43 0.13 0.00 2.12 0.00 -1.92 -2.81 119.26 116.35 2g0k h ALA 100 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 179.25 178.97 2g0k h ALA 101 N 0.66 1.22 -0.88 0.00 0.00 -1.98 -3.46 119.26 114.82 2g0k h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2g0k h ALA 101 CO 0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2g0k n GLY 102 N -0.48 0.64 3.41 0.00 0.00 -1.06 -5.12 105.19 102.58 2g0k n GLY 102 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 2g0k n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s ASN 103 N -1.97 2.05 -0.03 1.61 6.03 -1.26 -4.83 114.94 116.53 2g0k s ASN 103 Ca 0.00 -1.51 -0.31 0.00 -1.03 0.00 0.00 52.86 50.01 2g0k s ASN 103 Cb 0.00 0.25 0.12 0.00 -3.03 0.00 0.00 41.25 38.60 2g0k s ASN 103 CO 0.00 -0.80 1.29 -0.83 -2.03 0.00 0.00 177.10 174.73 2g0k s GLY 104 N -3.46 -0.41 1.00 0.45 0.00 -1.26 -2.60 107.32 101.05 2g0k s GLY 104 Ca 0.33 0.78 -0.14 0.00 0.00 0.00 0.00 44.72 45.69 2g0k s GLY 104 CO 0.15 0.16 1.13 2.56 0.00 0.00 0.00 173.10 177.10 2g0k s PRO 105 N -2.42 0.37 0.05 2.90 0.04 -1.26 -4.37 135.00 130.32 2g0k s PRO 105 Ca 0.14 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2g0k s PRO 105 Cb 0.04 -1.75 -0.16 0.00 0.04 0.00 0.00 34.50 32.67 2g0k s PRO 105 CO -0.04 -2.71 0.73 0.39 0.04 0.00 0.00 177.00 175.41 2g0k n GLU 106 N -4.12 0.00 -0.79 4.56 -0.58 -0.93 -4.55 120.64 114.24 2g0k n GLU 106 Ca 0.08 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.49 2g0k n GLU 106 Cb 0.59 -1.10 0.12 0.00 -0.57 0.00 0.00 31.44 30.48 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g0k n GLY 107 N 1.37 -2.09 3.10 0.62 0.00 -1.26 -4.84 105.19 102.08 2g0k n GLY 107 Ca 0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2g0k n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 108 N -2.38 2.80 -0.12 1.61 1.01 -1.19 -5.05 120.40 117.09 2g0k s VAL 108 Ca 0.56 -1.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 2g0k s VAL 108 Cb -0.20 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2g0k s VAL 108 CO 0.68 -0.45 0.65 0.00 0.00 0.00 0.00 175.10 175.98 2g0k s ALA 109 N 1.09 3.43 0.35 5.51 0.00 -1.26 -2.92 121.76 127.96 2g0k s ALA 109 Ca 0.04 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.03 2g0k s ALA 109 Cb -0.21 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2g0k s ALA 109 CO -0.05 -0.24 0.25 0.96 0.00 0.00 0.00 175.76 176.69 2g0k s ILE 110 N 1.14 0.10 0.26 0.00 -4.36 -0.22 -4.98 121.20 113.14 2g0k s ILE 110 Ca 0.33 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.52 2g0k s ILE 110 Cb -0.17 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.14 2g0k s ILE 110 CO 0.14 0.00 0.88 -0.55 0.24 0.00 0.00 174.94 175.66 2g0k s SER 111 N -3.42 -0.08 -0.16 4.36 0.15 -1.24 -3.24 113.70 110.08 2g0k s SER 111 Ca 0.37 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 2g0k s SER 111 Cb 0.02 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2g0k s SER 111 CO 0.25 -1.28 -0.03 -0.36 1.20 0.00 0.00 173.24 173.03 2g0k s PHE 112 N -2.74 1.43 0.00 3.44 0.40 -1.26 -3.40 117.98 115.85 2g0k s PHE 112 Ca 0.16 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2g0k s PHE 112 Cb -0.04 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.30 2g0k s PHE 112 CO 0.07 -0.58 0.00 0.27 0.70 0.00 0.00 175.22 175.69