#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 3.52 1.17 0.00 0.00 -1.26 -4.74 121.76 120.45 2g0k s ALA 2 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 2g0k s ALA 2 Cb 0.00 -3.32 0.25 0.00 0.00 0.00 0.00 23.12 20.05 2g0k s ALA 2 CO 0.00 -1.24 1.03 -0.35 0.00 0.00 0.00 175.76 175.20 2g0k n PRO 3 N 6.25 -2.47 -3.47 0.00 -0.04 -1.26 -4.12 135.00 129.89 2g0k n PRO 3 Ca 0.04 -1.63 -0.43 0.00 -0.04 0.00 0.00 63.50 61.44 2g0k n PRO 3 Cb 0.48 -1.40 -0.10 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 -2.97 5.12 0.06 0.52 2.01 -0.59 -0.62 115.64 119.16 2g0k s THR 4 Ca 0.64 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.93 2g0k s THR 4 Cb -0.05 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2g0k s THR 4 CO 0.48 -0.37 -0.26 0.00 -0.69 0.00 0.00 174.62 173.78 2g0k s ALA 5 N 1.64 2.26 -0.29 7.40 0.00 -1.25 0.56 121.76 132.09 2g0k s ALA 5 Ca 0.04 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2g0k s ALA 5 Cb -0.20 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2g0k s ALA 5 CO 0.08 0.53 0.07 0.95 0.00 0.00 0.00 175.76 177.39 2g0k s THR 6 N -0.84 3.91 0.16 0.00 -4.23 1.02 -4.83 115.64 110.82 2g0k s THR 6 Ca 0.12 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 2g0k s THR 6 Cb -0.10 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2g0k s THR 6 CO 0.03 0.11 -0.05 0.68 -0.54 0.00 0.00 174.62 174.85 2g0k s VAL 7 N 1.50 3.49 1.17 2.29 -7.23 -1.24 -0.49 120.40 119.89 2g0k s VAL 7 Ca 0.03 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 2g0k s VAL 7 Cb -0.17 -2.72 0.27 0.00 0.56 0.00 0.00 36.38 34.32 2g0k s VAL 7 CO 0.02 -0.06 1.08 0.28 -0.31 0.00 0.00 175.10 176.10 2g0k s THR 8 N -1.62 1.70 -0.19 5.32 -1.32 0.09 -4.88 115.64 114.74 2g0k s THR 8 Ca 0.25 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.44 2g0k s THR 8 Cb -0.10 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2g0k s THR 8 CO 0.17 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.85 2g0k s PRO 9 N -5.17 4.03 -0.50 7.08 0.04 -1.26 -4.72 135.00 134.50 2g0k s PRO 9 Ca 0.69 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.42 2g0k s PRO 9 Cb -0.14 -3.90 0.42 0.00 0.04 0.00 0.00 34.50 30.92 2g0k s PRO 9 CO 0.57 -0.99 1.35 0.45 0.04 0.00 0.00 177.00 178.42 2g0k n SER 10 N 7.44 5.45 -3.96 6.66 2.88 -1.26 -4.90 113.62 125.93 2g0k n SER 10 Ca 0.16 -3.75 -0.31 0.00 -1.33 0.00 0.00 58.87 53.64 2g0k n SER 10 Cb 0.45 -0.58 -0.15 0.00 -0.75 0.00 0.00 64.21 63.18 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 11 N -3.00 4.26 0.00 -3.46 1.04 -1.23 -2.21 113.70 109.10 2g0k s SER 11 Ca 0.50 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2g0k s SER 11 Cb 0.42 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 65.19 2g0k s SER 11 CO -0.17 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2g0k n GLY 12 N 4.52 1.14 3.80 7.32 0.00 -1.17 -4.67 105.19 116.14 2g0k n GLY 12 Ca -0.06 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 4.30 0.31 0.99 1.43 -1.26 -4.75 118.68 119.70 2g0k s LEU 13 Ca 0.00 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 2g0k s LEU 13 Cb 0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2g0k s LEU 13 CO 0.00 0.28 0.36 -0.44 0.23 0.00 0.00 176.35 176.78 2g0k s SER 14 N -0.30 5.74 0.34 2.29 0.01 -1.26 -4.87 113.70 115.64 2g0k s SER 14 Ca 0.12 -0.26 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 2g0k s SER 14 Cb -0.12 -1.26 -0.14 0.00 0.21 0.00 0.00 66.02 64.72 2g0k s SER 14 CO 0.02 -0.30 0.66 -0.67 0.41 0.00 0.00 173.24 173.36 2g0k n ASP 15 N -1.46 -0.37 0.00 2.44 -0.08 -1.26 -2.00 116.55 113.82 2g0k n ASP 15 Ca -0.03 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2g0k n ASP 15 Cb 0.58 -1.13 0.00 0.00 2.34 0.00 0.00 41.12 42.92 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 1.68 3.08 3.77 0.27 0.00 -1.25 -5.02 105.19 107.73 2g0k n GLY 16 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.78 3.48 -0.27 2.61 2.01 -0.85 -4.98 115.64 114.86 2g0k s THR 17 Ca 0.00 1.20 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2g0k s THR 17 Cb 0.00 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.88 2g0k s THR 17 CO 0.00 0.07 0.01 0.54 -0.69 0.00 0.00 174.62 174.55 2g0k s VAL 18 N -1.52 3.42 0.51 3.82 0.11 -1.26 -2.68 120.40 122.80 2g0k s VAL 18 Ca 0.57 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 2g0k s VAL 18 Cb -0.26 -2.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.79 2g0k s VAL 18 CO 0.33 0.14 0.87 0.68 -3.33 0.00 0.00 175.10 173.79 2g0k s VAL 19 N 1.41 4.79 0.02 2.04 -7.23 0.32 -4.91 120.40 116.84 2g0k s VAL 19 Ca 0.01 0.58 0.05 0.00 -1.81 0.00 0.00 61.98 60.81 2g0k s VAL 19 Cb -0.17 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 32.91 2g0k s VAL 19 CO -0.01 -0.86 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.04 2g0k s LYS 20 N -4.65 2.33 -0.20 4.82 2.36 -1.26 -0.80 119.74 122.34 2g0k s LYS 20 Ca 0.51 -0.84 -0.04 0.00 -2.55 0.00 0.00 55.97 53.05 2g0k s LYS 20 Cb -0.10 -2.35 0.09 0.00 -1.05 0.00 0.00 37.83 34.42 2g0k s LYS 20 CO 0.44 0.57 0.23 0.14 1.55 0.00 0.00 175.35 178.28 2g0k s VAL 21 N -0.95 -0.33 -0.13 4.02 -7.23 -0.77 -0.73 120.40 114.28 2g0k s VAL 21 Ca 0.16 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.25 2g0k s VAL 21 Cb -0.11 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.19 2g0k s VAL 21 CO 0.06 -0.18 -0.15 0.00 -0.31 0.00 0.00 175.10 174.52 2g0k s ALA 22 N 2.34 1.79 0.29 1.32 0.00 0.36 -2.03 121.76 125.83 2g0k s ALA 22 Ca 0.07 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2g0k s ALA 22 Cb -0.15 -0.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.92 2g0k s ALA 22 CO -0.12 -0.24 0.78 0.20 0.00 0.00 0.00 175.76 176.37 2g0k s GLY 23 N 1.26 2.52 -0.21 0.00 0.00 -0.98 0.33 107.32 110.24 2g0k s GLY 23 Ca -0.00 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 2g0k s GLY 23 CO -0.07 0.50 0.25 0.00 0.00 0.00 0.00 173.10 173.78 2g0k s ALA 24 N -1.75 -0.39 0.00 3.20 0.00 2.27 -2.75 121.76 122.35 2g0k s ALA 24 Ca 0.49 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2g0k s ALA 24 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2g0k s ALA 24 CO 0.19 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2g0k n GLY 25 N 5.32 0.99 3.98 0.00 0.00 -1.11 -1.54 105.19 112.83 2g0k n GLY 25 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 2.98 -0.04 0.99 1.02 -1.13 -4.67 118.68 117.84 2g0k s LEU 26 Ca 0.00 -0.19 -0.33 0.00 0.02 0.00 0.00 54.13 53.63 2g0k s LEU 26 Cb 0.00 -2.22 -0.11 0.00 0.02 0.00 0.00 46.19 43.87 2g0k s LEU 26 CO 0.00 -1.82 1.89 0.00 0.02 0.00 0.00 176.35 176.44 2g0k n GLN 27 N -2.86 2.38 -2.35 1.70 6.02 -1.26 -4.65 117.38 116.36 2g0k n GLN 27 Ca 0.13 0.87 -0.42 0.00 -0.01 0.00 0.00 57.00 57.58 2g0k n GLN 27 Cb 0.60 -2.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.09 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g0k s ALA 28 N 3.96 3.45 0.00 -1.58 0.00 -1.26 -2.25 121.76 124.07 2g0k s ALA 28 Ca 0.91 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2g0k s ALA 28 Cb -0.62 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2g0k s ALA 28 CO 0.48 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2g0k n GLY 29 N 3.15 0.52 3.83 0.00 0.00 -0.50 -4.96 105.19 107.23 2g0k n GLY 29 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 4.95 0.32 2.61 2.01 -0.95 -4.84 115.64 117.49 2g0k s THR 30 Ca 0.00 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.73 2g0k s THR 30 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 2g0k s THR 30 CO 0.00 0.55 0.80 0.00 -0.69 0.00 0.00 174.62 175.28 2g0k s ALA 31 N -1.11 3.27 -0.03 7.40 0.00 -1.26 -2.45 121.76 127.57 2g0k s ALA 31 Ca 0.26 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2g0k s ALA 31 Cb -0.17 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2g0k s ALA 31 CO 0.15 0.27 -0.03 0.71 0.00 0.00 0.00 175.76 176.86 2g0k s TYR 32 N -1.86 0.55 -0.38 0.00 2.02 -1.01 -3.37 117.35 113.30 2g0k s TYR 32 Ca 0.52 -0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.96 2g0k s TYR 32 Cb -0.13 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 2g0k s TYR 32 CO 0.18 -0.13 0.34 -0.51 -1.57 0.00 0.00 175.55 173.86 2g0k s ASP 33 N 0.72 6.14 -0.02 2.29 1.11 3.09 -3.30 116.67 126.70 2g0k s ASP 33 Ca -0.09 -0.56 -0.05 0.00 0.18 0.00 0.00 52.55 52.03 2g0k s ASP 33 Cb -0.12 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 2g0k s ASP 33 CO -0.00 -0.41 0.22 -0.69 1.18 0.00 0.00 175.17 175.47 2g0k s VAL 34 N 1.89 5.38 -0.07 -1.27 1.01 -0.40 1.74 120.40 128.68 2g0k s VAL 34 Ca 0.09 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 2g0k s VAL 34 Cb -0.18 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2g0k s VAL 34 CO 0.11 0.40 1.04 -0.83 0.00 0.00 0.00 175.10 175.82 2g0k s GLY 35 N -1.66 -0.38 -0.27 4.51 0.00 6.15 -0.46 107.32 115.20 2g0k s GLY 35 Ca 0.25 1.17 -0.09 0.00 0.00 0.00 0.00 44.72 46.06 2g0k s GLY 35 CO 0.15 0.38 0.12 1.62 0.00 0.00 0.00 173.10 175.37 2g0k s GLN 36 N -2.82 3.68 0.02 2.90 0.74 -1.26 0.13 119.66 123.05 2g0k s GLN 36 Ca 0.08 -0.48 0.07 0.00 0.05 0.00 0.00 55.36 55.08 2g0k s GLN 36 Cb -0.01 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2g0k s GLN 36 CO -0.06 -0.23 -0.20 0.00 -0.55 0.00 0.00 175.29 174.25 2g0k s ALA 38 N -0.83 1.81 0.07 0.00 0.00 0.52 -2.55 121.76 120.77 2g0k s ALA 38 Ca 0.13 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 2g0k s ALA 38 Cb -0.10 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 2g0k s ALA 38 CO 0.03 0.43 1.64 -0.46 0.00 0.00 0.00 175.76 177.40 2g0k s TRP 39 N -0.44 2.47 -0.20 0.00 -0.00 -1.23 0.05 118.94 119.59 2g0k s TRP 39 Ca 0.06 0.35 -0.03 0.00 -0.00 0.00 0.00 56.10 56.48 2g0k s TRP 39 Cb -0.09 -3.95 -0.11 0.00 -0.00 0.00 0.00 33.47 29.32 2g0k s TRP 39 CO -0.00 -3.79 -0.21 0.28 -0.00 0.00 0.00 176.95 173.23 2g0k n VAL 40 N 4.69 1.13 -4.15 5.86 0.31 0.18 -4.81 118.33 121.54 2g0k n VAL 40 Ca 0.16 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 2g0k n VAL 40 Cb 0.41 -1.43 -0.09 0.00 -0.91 0.00 0.00 33.84 31.81 2g0k n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2g0k s ASP 41 N -6.29 0.12 -0.31 4.52 1.11 0.30 -4.99 116.67 111.12 2g0k s ASP 41 Ca -0.27 -1.27 -0.36 0.00 0.18 0.00 0.00 52.55 50.82 2g0k s ASP 41 Cb 0.09 0.41 -0.12 0.00 1.07 0.00 0.00 42.92 44.37 2g0k s ASP 41 CO 0.42 -0.89 2.10 0.41 1.18 0.00 0.00 175.17 178.39 2g0k n THR 42 N -0.27 0.25 -0.94 -1.27 -1.04 -1.26 0.19 114.28 109.94 2g0k n THR 42 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2g0k n THR 42 Cb 0.65 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g0k n GLY 43 N 6.01 0.33 3.10 3.41 0.00 -1.26 -4.97 105.19 111.82 2g0k n GLY 43 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.80 1.99 -0.04 1.61 1.01 0.52 -5.08 120.40 118.60 2g0k s VAL 44 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2g0k s VAL 44 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2g0k s VAL 44 CO 0.00 0.45 -0.13 -1.48 0.00 0.00 0.00 175.10 173.94 2g0k s LEU 45 N 1.30 1.83 0.36 3.92 2.34 -1.26 0.11 118.68 127.27 2g0k s LEU 45 Ca 0.03 -0.27 -0.03 0.00 0.06 0.00 0.00 54.13 53.91 2g0k s LEU 45 Cb -0.14 -0.77 -0.04 0.00 -0.56 0.00 0.00 46.19 44.68 2g0k s LEU 45 CO -0.12 0.10 0.61 0.00 -1.06 0.00 0.00 176.35 175.89 2g0k s ALA 46 N 0.18 3.58 0.21 1.48 0.00 0.11 -3.80 121.76 123.53 2g0k s ALA 46 Ca -0.05 -0.64 0.11 0.00 0.00 0.00 0.00 51.96 51.37 2g0k s ALA 46 Cb -0.11 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2g0k s ALA 46 CO 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 175.76 175.62 2g0k s ASN 48 N -2.99 4.26 0.00 0.00 2.47 -0.95 0.30 114.94 118.03 2g0k s ASN 48 Ca 0.25 -1.37 0.19 0.00 0.42 0.00 0.00 52.86 52.35 2g0k s ASN 48 Cb -0.07 -1.42 1.16 0.00 -1.45 0.00 0.00 41.25 39.46 2g0k s ASN 48 CO 0.13 -0.22 1.55 -0.81 -3.72 0.00 0.00 177.10 174.04 2g0k n PRO 49 N 4.51 0.62 0.08 0.43 -0.04 -1.26 -2.20 135.00 137.14 2g0k n PRO 49 Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.43 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.99 2.69 -1.44 0.55 0.00 -1.26 -3.74 120.51 116.33 2g0k n ALA 50 Ca 0.15 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2g0k n ALA 50 Cb 0.07 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.18 1.27 -4.64 0.00 5.68 -0.93 -5.03 116.55 110.71 2g0k n ASP 51 Ca 0.04 -2.55 -0.43 0.00 -0.50 0.00 0.00 54.79 51.36 2g0k n ASP 51 Cb 0.44 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2g0k s PHE 52 N -1.52 3.23 0.55 2.11 -0.12 -1.19 -4.10 117.98 116.94 2g0k s PHE 52 Ca 0.17 1.17 0.07 0.00 -0.05 0.00 0.00 56.93 58.29 2g0k s PHE 52 Cb 0.15 -3.40 0.05 0.00 -0.63 0.00 0.00 43.02 39.18 2g0k s PHE 52 CO 0.02 -0.60 0.50 -1.12 -0.05 0.00 0.00 175.22 173.97 2g0k s SER 53 N 1.49 4.77 0.02 1.98 0.01 0.39 -4.95 113.70 117.41 2g0k s SER 53 Ca 0.41 -1.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.47 2g0k s SER 53 Cb -0.14 0.33 -0.00 0.00 0.21 0.00 0.00 66.02 66.43 2g0k s SER 53 CO 0.11 -1.14 0.15 -0.94 0.41 0.00 0.00 173.24 171.83 2g0k s SER 54 N -4.37 0.06 -0.05 2.44 1.04 -1.26 -2.33 113.70 109.23 2g0k s SER 54 Ca 0.42 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 2g0k s SER 54 Cb -0.03 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.43 2g0k s SER 54 CO 0.26 -0.47 0.90 0.54 0.98 0.00 0.00 173.24 175.45 2g0k s VAL 55 N -2.06 0.00 -0.05 5.02 0.11 -1.21 -4.94 120.40 117.28 2g0k s VAL 55 Ca -0.09 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 2g0k s VAL 55 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2g0k s VAL 55 CO -0.02 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.72 2g0k s THR 56 N -2.44 1.23 0.18 5.04 2.01 -1.26 -2.41 115.64 117.98 2g0k s THR 56 Ca 0.02 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2g0k s THR 56 Cb -0.01 -1.08 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 2g0k s THR 56 CO -0.05 0.37 1.24 0.00 -0.69 0.00 0.00 174.62 175.48 2g0k s ALA 57 N 0.33 3.46 1.06 7.40 0.00 -1.03 -4.68 121.76 128.30 2g0k s ALA 57 Ca -0.09 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 2g0k s ALA 57 Cb -0.13 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.67 2g0k s ALA 57 CO 0.03 -0.43 0.55 -0.40 0.00 0.00 0.00 175.76 175.51 2g0k n ASP 58 N 2.64 -0.71 0.28 0.00 5.68 -0.49 -1.41 116.55 122.54 2g0k n ASP 58 Ca 0.05 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.46 2g0k n ASP 58 Cb 0.44 -0.46 0.81 0.00 -1.14 0.00 0.00 41.12 40.77 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 -2.12 1.41 0.00 2.12 0.00 -1.93 0.13 119.26 118.88 2g0k h ALA 59 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2g0k h ALA 59 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2g0k h ALA 59 CO 0.13 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.55 2g0k n ASN 60 N -3.77 0.00 -1.03 0.00 4.13 -1.26 -4.85 115.26 108.48 2g0k n ASN 60 Ca -0.02 -0.21 -0.08 0.00 1.68 0.00 0.00 54.58 55.94 2g0k n ASN 60 Cb 0.16 -0.23 -0.00 0.00 -1.54 0.00 0.00 39.78 38.17 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2g0k n GLY 61 N 0.78 0.06 3.10 7.41 0.00 0.43 -4.77 105.19 112.20 2g0k n GLY 61 Ca 0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.68 1.65 0.21 1.61 1.04 -1.26 -2.76 113.70 111.51 2g0k s SER 62 Ca 0.03 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.24 2g0k s SER 62 Cb -0.01 -0.21 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2g0k s SER 62 CO 0.03 0.17 -0.05 0.00 0.98 0.00 0.00 173.24 174.37 2g0k s ALA 63 N -0.29 1.77 -0.09 5.32 0.00 -1.11 -1.40 121.76 125.97 2g0k s ALA 63 Ca 0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2g0k s ALA 63 Cb -0.06 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2g0k s ALA 63 CO -0.00 -0.16 0.19 -1.54 0.00 0.00 0.00 175.76 174.24 2g0k s SER 64 N -3.28 0.06 0.10 0.00 1.04 -1.26 -2.33 113.70 108.03 2g0k s SER 64 Ca 0.25 0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.95 2g0k s SER 64 Cb 0.04 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2g0k s SER 64 CO 0.06 -0.18 0.31 0.28 0.98 0.00 0.00 173.24 174.69 2g0k s THR 65 N 1.54 0.10 -0.22 2.02 -1.32 -0.86 -4.92 115.64 111.98 2g0k s THR 65 Ca -0.06 -0.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2g0k s THR 65 Cb -0.11 -1.21 0.04 0.00 -1.51 0.00 0.00 72.50 69.70 2g0k s THR 65 CO -0.07 -0.46 -0.15 -0.44 -2.21 0.00 0.00 174.62 171.30 2g0k s SER 66 N -2.74 3.84 0.24 8.08 0.01 -1.26 -1.84 113.70 120.02 2g0k s SER 66 Ca 0.03 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.30 2g0k s SER 66 Cb 0.03 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 2g0k s SER 66 CO -0.11 -0.10 0.40 -0.22 0.41 0.00 0.00 173.24 173.63 2g0k s LEU 67 N 1.21 4.23 -0.09 2.44 0.20 0.02 -4.92 118.68 121.77 2g0k s LEU 67 Ca -0.02 0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.08 2g0k s LEU 67 Cb -0.16 -3.06 -0.03 0.00 -0.43 0.00 0.00 46.19 42.51 2g0k s LEU 67 CO -0.09 -0.09 -0.10 0.28 -0.29 0.00 0.00 176.35 176.07 2g0k s THR 68 N -1.98 3.43 -0.17 3.68 -1.32 -1.26 0.12 115.64 118.14 2g0k s THR 68 Ca 0.37 -0.56 -0.05 0.00 -1.21 0.00 0.00 61.69 60.24 2g0k s THR 68 Cb -0.10 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 68 CO 0.30 0.56 -0.01 0.54 -2.21 0.00 0.00 174.62 173.81 2g0k s VAL 69 N -0.35 4.07 0.33 5.08 0.11 -1.09 -4.82 120.40 123.73 2g0k s VAL 69 Ca 0.04 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2g0k s VAL 69 Cb -0.12 -2.80 -0.06 0.00 -1.53 0.00 0.00 36.38 31.87 2g0k s VAL 69 CO 0.02 0.48 -0.04 -0.13 -3.33 0.00 0.00 175.10 172.10 2g0k s ARG 70 N 0.45 1.98 0.09 1.54 1.81 -1.26 -3.74 118.95 119.83 2g0k s ARG 70 Ca -0.02 -1.79 0.23 0.00 -1.72 0.00 0.00 55.73 52.43 2g0k s ARG 70 Cb -0.14 -1.86 0.17 0.00 -0.45 0.00 0.00 34.95 32.67 2g0k s ARG 70 CO 0.02 0.16 1.15 2.89 -0.68 0.00 0.00 175.30 178.85 2g0k n ARG 71 N -0.88 0.33 -3.61 3.54 1.85 -1.26 -4.68 116.66 111.95 2g0k n ARG 71 Ca -0.05 0.05 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2g0k n ARG 71 Cb 0.62 -1.66 -0.07 0.00 -1.05 0.00 0.00 32.46 30.31 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2g0k s SER 72 N -4.21 -0.56 -0.09 2.89 0.01 -1.26 0.02 113.70 110.50 2g0k s SER 72 Ca 0.04 0.94 -0.31 0.00 1.31 0.00 0.00 55.95 57.93 2g0k s SER 72 Cb 0.13 0.90 0.12 0.00 0.21 0.00 0.00 66.02 67.39 2g0k s SER 72 CO 0.77 -0.29 1.03 0.72 0.41 0.00 0.00 173.24 175.88 2g0k s PHE 73 N -0.18 -0.25 -0.10 2.43 -0.12 -1.00 -4.96 117.98 113.80 2g0k s PHE 73 Ca -0.01 0.17 -0.35 0.00 -0.05 0.00 0.00 56.93 56.70 2g0k s PHE 73 Cb -0.03 0.52 -0.12 0.00 -0.63 0.00 0.00 43.02 42.76 2g0k s PHE 73 CO -0.00 -0.39 1.87 -0.85 -0.05 0.00 0.00 175.22 175.80 2g0k n GLU 74 N -0.13 2.11 -2.55 1.99 0.00 -1.26 -0.43 120.64 120.36 2g0k n GLU 74 Ca -0.05 0.77 -0.41 0.00 0.00 0.00 0.00 57.16 57.47 2g0k n GLU 74 Cb 0.60 -2.61 -0.03 0.00 0.00 0.00 0.00 31.44 29.41 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2g0k s GLY 75 N 3.98 1.17 -0.69 -1.84 0.00 0.16 -3.96 107.32 106.13 2g0k s GLY 75 Ca 0.93 -2.05 -0.25 0.00 0.00 0.00 0.00 44.72 43.35 2g0k s GLY 75 CO 0.52 2.69 1.11 -0.12 0.00 0.00 0.00 173.10 177.30 2g0k s PHE 76 N 5.18 2.49 0.45 1.90 2.19 0.89 -0.73 117.98 130.35 2g0k s PHE 76 Ca 0.44 -0.30 -0.24 0.00 0.33 0.00 0.00 56.93 57.16 2g0k s PHE 76 Cb -0.02 -4.45 -0.09 0.00 -1.31 0.00 0.00 43.02 37.15 2g0k s PHE 76 CO -0.04 -1.85 1.13 -0.11 1.83 0.00 0.00 175.22 176.18 2g0k n LEU 77 N 8.50 3.53 -0.30 6.12 7.94 -0.50 0.40 117.00 142.69 2g0k n LEU 77 Ca -0.00 1.03 0.13 0.00 -1.11 0.00 0.00 56.01 56.05 2g0k n LEU 77 Cb 0.47 -1.43 0.29 0.00 0.53 0.00 0.00 43.42 43.28 2g0k n LEU 77 CO 0.67 -1.14 1.01 -0.26 -1.11 0.00 0.00 177.39 176.56 2g0k h PHE 78 N 1.60 0.54 0.00 1.96 -1.00 -1.89 1.85 116.94 120.00 2g0k h PHE 78 Ca -0.47 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.32 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2g0k h PHE 78 CO 0.44 -0.10 0.08 0.22 -1.61 0.00 0.00 178.31 177.35 2g0k h ASP 79 N 0.33 0.00 0.00 2.17 1.82 -1.93 -3.44 116.42 115.37 2g0k h ASP 79 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 2g0k h ASP 79 Cb 1.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2g0k h ASP 79 CO -0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.68 2g0k n GLY 80 N -1.22 1.42 3.40 -0.78 0.00 0.63 -5.08 105.19 103.57 2g0k n GLY 80 Ca -0.02 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 4.07 -0.78 2.61 2.01 -1.17 -4.86 115.64 115.51 2g0k s THR 81 Ca 0.00 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 2g0k s THR 81 Cb 0.00 -2.92 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 2g0k s THR 81 CO 0.00 0.32 2.28 -0.60 -0.69 0.00 0.00 174.62 175.93 2g0k s ARG 82 N 1.57 1.91 0.04 4.92 3.52 -1.26 -1.42 118.95 128.23 2g0k s ARG 82 Ca 0.06 0.40 -0.32 0.00 -0.13 0.00 0.00 55.73 55.74 2g0k s ARG 82 Cb -0.15 -4.81 -0.18 0.00 -1.56 0.00 0.00 34.95 28.24 2g0k s ARG 82 CO 0.02 -4.02 1.39 2.35 -0.81 0.00 0.00 175.30 174.23 2g0k h TRP 83 N 13.15 -0.94 0.00 5.12 7.01 -1.31 -3.49 115.95 135.50 2g0k h TRP 83 Ca -0.01 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2g0k h TRP 83 Cb 1.04 0.31 0.00 0.00 -2.10 0.00 0.00 29.16 28.41 2g0k h TRP 83 CO 1.15 -0.57 0.00 0.41 -2.79 0.00 0.00 178.44 176.64 2g0k n GLY 84 N -1.14 2.56 3.58 2.65 0.00 -1.22 -4.96 105.19 106.66 2g0k n GLY 84 Ca -0.14 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.13 0.28 -2.91 2.61 -1.04 -1.26 0.36 114.28 111.19 2g0k n THR 85 Ca 0.00 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.05 61.18 2g0k n THR 85 Cb 0.00 -2.51 -0.07 0.00 -1.82 0.00 0.00 70.33 65.94 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 8.73 4.41 -0.63 12.58 1.01 0.43 -4.83 120.40 142.11 2g0k s VAL 86 Ca 1.02 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 64.36 2g0k s VAL 86 Cb -0.37 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 32.41 2g0k s VAL 86 CO 0.35 -0.07 0.52 -1.81 0.00 0.00 0.00 175.10 174.10 2g0k s ASP 87 N -1.93 5.98 0.60 3.32 1.11 -1.26 -2.38 116.67 122.11 2g0k s ASP 87 Ca 0.54 -2.39 0.29 0.00 0.18 0.00 0.00 52.55 51.17 2g0k s ASP 87 Cb -0.13 -2.06 1.49 0.00 1.07 0.00 0.00 42.92 43.29 2g0k s ASP 87 CO 0.18 -0.59 1.90 0.00 1.18 0.00 0.00 175.17 177.84 2g0k n THR 89 N -3.59 0.03 -0.02 0.00 -2.24 -1.21 -3.27 114.28 103.98 2g0k n THR 89 Ca 0.06 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 2g0k n THR 89 Cb 0.62 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.18 0.22 -4.57 4.28 -1.04 0.56 -5.06 114.28 107.48 2g0k n THR 90 Ca 0.17 -0.17 -0.26 0.00 -2.04 0.00 0.00 64.05 61.76 2g0k n THR 90 Cb 0.19 -0.48 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k n ALA 91 N -2.01 0.40 -2.67 2.41 0.00 -0.16 -5.06 120.51 113.42 2g0k n ALA 91 Ca -0.05 -1.88 -0.37 0.00 0.00 0.00 0.00 53.44 51.13 2g0k n ALA 91 Cb 0.49 1.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.97 2g0k n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g0k s ALA 92 N -2.80 3.75 0.27 0.00 0.00 -1.26 -4.64 121.76 117.07 2g0k s ALA 92 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.67 2g0k s ALA 92 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2g0k s ALA 92 CO 0.04 0.48 0.32 0.00 0.00 0.00 0.00 175.76 176.59 2g0k s GLN 94 N -3.96 0.39 0.38 0.00 0.74 -1.06 0.40 119.66 116.55 2g0k s GLN 94 Ca 0.36 0.75 0.04 0.00 0.05 0.00 0.00 55.36 56.56 2g0k s GLN 94 Cb -0.08 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 2g0k s GLN 94 CO 0.28 -0.10 0.55 0.08 -0.55 0.00 0.00 175.29 175.55 2g0k s VAL 95 N 1.69 4.12 -0.06 1.34 1.01 -0.93 -1.34 120.40 126.24 2g0k s VAL 95 Ca -0.07 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 2g0k s VAL 95 Cb -0.05 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 32.99 2g0k s VAL 95 CO -0.16 -0.25 1.28 -0.83 0.00 0.00 0.00 175.10 175.15 2g0k s GLY 96 N -4.18 -0.39 -0.06 4.51 0.00 0.12 -3.83 107.32 103.49 2g0k s GLY 96 Ca 0.46 0.89 0.01 0.00 0.00 0.00 0.00 44.72 46.08 2g0k s GLY 96 CO 0.34 0.21 -0.08 0.48 0.00 0.00 0.00 173.10 174.05 2g0k s LEU 97 N -2.82 1.41 -0.00 0.66 2.34 0.62 0.96 118.68 121.85 2g0k s LEU 97 Ca 0.13 -0.21 0.06 0.00 0.06 0.00 0.00 54.13 54.18 2g0k s LEU 97 Cb 0.04 -0.63 -0.03 0.00 -0.56 0.00 0.00 46.19 45.01 2g0k s LEU 97 CO -0.04 -0.03 -0.20 -0.44 -1.06 0.00 0.00 176.35 174.58 2g0k s SER 98 N 0.93 3.63 0.00 1.48 0.01 22.23 -2.19 113.70 139.79 2g0k s SER 98 Ca -0.10 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2g0k s SER 98 Cb -0.15 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2g0k s SER 98 CO 0.01 0.30 0.00 -0.90 0.41 0.00 0.00 173.24 173.06 2g0k n ASP 99 N 2.03 0.00 -0.03 2.44 5.75 -1.02 0.67 116.55 126.38 2g0k n ASP 99 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.49 2g0k n ASP 99 Cb 0.52 0.00 -0.07 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 -1.08 0.14 0.00 2.12 0.00 -1.92 -2.85 119.26 115.66 2g0k h ALA 100 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2g0k h ALA 100 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 100 CO 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 179.25 178.81 2g0k h ALA 101 N 0.71 1.11 -0.29 0.00 0.00 -1.95 -3.47 119.26 115.37 2g0k h ALA 101 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2g0k h ALA 101 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2g0k h ALA 101 CO 0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2g0k n GLY 102 N -0.08 0.57 3.50 0.00 0.00 -1.08 -5.12 105.19 102.98 2g0k n GLY 102 Ca -0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.45 3.57 0.12 1.61 4.22 -1.26 -4.78 114.94 116.97 2g0k s ASN 103 Ca 0.00 -1.13 -0.25 0.00 -2.14 0.00 0.00 52.86 49.34 2g0k s ASN 103 Cb 0.00 -0.31 0.08 0.00 1.28 0.00 0.00 41.25 42.30 2g0k s ASN 103 CO 0.00 -0.12 1.11 -0.83 -2.04 0.00 0.00 177.10 175.21 2g0k s GLY 104 N -3.55 -0.05 0.85 0.45 0.00 -1.25 -2.44 107.32 101.33 2g0k s GLY 104 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.84 2g0k s GLY 104 CO 0.15 2.45 1.10 2.56 0.00 0.00 0.00 173.10 179.36 2g0k s PRO 105 N -2.33 1.65 0.11 2.90 0.04 -1.26 -4.17 135.00 131.93 2g0k s PRO 105 Ca 0.21 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 2g0k s PRO 105 Cb -0.01 -1.86 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 2g0k s PRO 105 CO 0.03 -1.94 0.68 -0.85 0.04 0.00 0.00 177.00 174.95 2g0k n GLU 106 N -3.66 0.00 -1.46 4.56 0.28 0.21 -4.50 120.64 116.07 2g0k n GLU 106 Ca 0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.67 2g0k n GLU 106 Cb 0.56 -1.10 0.02 0.00 1.43 0.00 0.00 31.44 32.35 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 1.64 -1.49 2.87 -1.84 0.00 -1.26 -4.84 105.19 100.26 2g0k n GLY 107 Ca 0.17 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.59 1.38 0.40 1.61 1.01 -1.25 -5.08 120.40 116.88 2g0k s VAL 108 Ca 0.65 -1.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2g0k s VAL 108 Cb -0.53 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2g0k s VAL 108 CO 0.57 -0.43 0.71 0.00 0.00 0.00 0.00 175.10 175.95 2g0k s ALA 109 N 1.40 3.46 0.30 5.51 0.00 -1.26 -2.18 121.76 129.00 2g0k s ALA 109 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2g0k s ALA 109 Cb -0.18 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 2g0k s ALA 109 CO -0.14 -0.08 0.03 0.42 0.00 0.00 0.00 175.76 175.99 2g0k s ILE 110 N -2.44 1.27 -0.19 0.00 1.01 1.32 -4.84 121.20 117.33 2g0k s ILE 110 Ca 0.47 -2.03 -0.16 0.00 0.00 0.00 0.00 60.65 58.93 2g0k s ILE 110 Cb -0.10 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.76 2g0k s ILE 110 CO 0.36 -0.11 0.50 -0.55 0.00 0.00 0.00 174.94 175.15 2g0k s SER 111 N -3.45 -0.56 -0.23 3.58 0.15 -0.94 -3.46 113.70 108.79 2g0k s SER 111 Ca 0.34 1.03 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 2g0k s SER 111 Cb 0.07 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.35 2g0k s SER 111 CO 0.14 -0.18 0.12 -0.36 1.20 0.00 0.00 173.24 174.16 2g0k s PHE 112 N 0.60 3.25 0.00 3.44 0.40 -1.26 -3.04 117.98 121.36 2g0k s PHE 112 Ca -0.03 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2g0k s PHE 112 Cb -0.05 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2g0k s PHE 112 CO -0.04 -0.01 0.00 0.09 0.70 0.00 0.00 175.22 175.97