#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 0.87 1.08 0.00 0.00 -1.26 -4.27 121.76 118.18 2g0k s ALA 2 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 2g0k s ALA 2 Cb 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 23.12 22.57 2g0k s ALA 2 CO 0.00 -0.28 0.49 -0.35 0.00 0.00 0.00 175.76 175.62 2g0k n PRO 3 N 4.67 -1.57 -3.28 0.00 -0.04 -1.26 -3.53 135.00 129.99 2g0k n PRO 3 Ca -0.15 -0.77 -0.43 0.00 -0.04 0.00 0.00 63.50 62.11 2g0k n PRO 3 Cb 0.50 -0.66 -0.08 0.00 -0.04 0.00 0.00 33.50 33.22 2g0k n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2g0k s THR 4 N -1.93 5.04 0.04 0.52 -1.32 -0.90 -2.61 115.64 114.48 2g0k s THR 4 Ca 0.30 -0.30 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2g0k s THR 4 Cb -0.02 -4.08 -0.02 0.00 -1.51 0.00 0.00 72.50 66.86 2g0k s THR 4 CO 0.23 -0.47 -0.17 0.00 -2.21 0.00 0.00 174.62 172.00 2g0k s ALA 5 N 2.25 1.40 -0.34 11.08 0.00 -1.23 0.42 121.76 135.34 2g0k s ALA 5 Ca 0.14 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2g0k s ALA 5 Cb -0.17 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2g0k s ALA 5 CO 0.14 0.29 0.18 0.95 0.00 0.00 0.00 175.76 177.32 2g0k s THR 6 N -0.85 4.66 0.07 0.00 -4.23 0.56 -4.81 115.64 111.05 2g0k s THR 6 Ca 0.04 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 2g0k s THR 6 Cb -0.08 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 2g0k s THR 6 CO 0.02 -0.07 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.29 2g0k s VAL 7 N 1.60 3.71 1.20 2.29 1.01 -1.24 -1.05 120.40 127.92 2g0k s VAL 7 Ca 0.04 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 2g0k s VAL 7 Cb -0.18 -2.72 0.28 0.00 0.00 0.00 0.00 36.38 33.76 2g0k s VAL 7 CO 0.07 0.18 1.08 0.28 0.00 0.00 0.00 175.10 176.71 2g0k s THR 8 N -1.20 1.65 -0.11 3.92 -1.32 -0.49 -4.89 115.64 113.20 2g0k s THR 8 Ca 0.22 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 2g0k s THR 8 Cb -0.11 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2g0k s THR 8 CO 0.14 0.00 1.39 -2.16 -2.21 0.00 0.00 174.62 171.78 2g0k s PRO 9 N -5.22 4.23 -0.47 7.08 0.04 -1.26 -4.75 135.00 134.66 2g0k s PRO 9 Ca 0.69 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.64 2g0k s PRO 9 Cb -0.13 -3.79 0.40 0.00 0.04 0.00 0.00 34.50 31.02 2g0k s PRO 9 CO 0.57 -0.71 1.06 -1.13 0.04 0.00 0.00 177.00 176.83 2g0k n SER 10 N 6.52 4.52 -3.63 6.66 3.41 -1.26 -4.92 113.62 124.92 2g0k n SER 10 Ca 0.15 -3.67 -0.28 0.00 -0.26 0.00 0.00 58.87 54.81 2g0k n SER 10 Cb 0.44 -0.49 -0.16 0.00 -0.26 0.00 0.00 64.21 63.74 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g0k s SER 11 N -3.50 3.00 0.00 4.04 1.04 -1.21 -2.34 113.70 114.72 2g0k s SER 11 Ca 0.47 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2g0k s SER 11 Cb 0.37 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2g0k s SER 11 CO -0.17 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2g0k n GLY 12 N 5.17 1.02 3.48 7.32 0.00 -1.24 -4.78 105.19 116.15 2g0k n GLY 12 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2g0k n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 13 N 0.00 2.73 0.00 0.99 0.05 -1.26 -4.80 118.68 116.39 2g0k s LEU 13 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 53.88 2g0k s LEU 13 Cb 0.00 -1.58 0.00 0.00 -2.05 0.00 0.00 46.19 42.56 2g0k s LEU 13 CO 0.00 0.29 0.00 -1.54 -0.55 0.00 0.00 176.35 174.55 2g0k n SER 14 N 1.83 1.75 -4.29 1.48 3.41 -1.26 -4.77 113.62 111.78 2g0k n SER 14 Ca -0.16 -0.70 -0.38 0.00 -0.26 0.00 0.00 58.87 57.37 2g0k n SER 14 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2g0k n SER 14 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g0k n ASP 15 N -0.87 -3.10 0.00 4.04 2.03 -1.24 -1.79 116.55 115.61 2g0k n ASP 15 Ca 0.00 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2g0k n ASP 15 Cb 0.00 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0k n GLY 16 N 2.36 3.13 3.82 0.27 0.00 -1.25 -4.99 105.19 108.54 2g0k n GLY 16 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 4.56 -0.12 2.61 2.01 -0.74 -5.01 115.64 116.88 2g0k s THR 17 Ca 0.00 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.26 2g0k s THR 17 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2g0k s THR 17 CO 0.00 0.09 -0.17 0.54 -0.69 0.00 0.00 174.62 174.39 2g0k s VAL 18 N -1.67 2.69 0.23 3.82 0.11 -1.26 -2.32 120.40 122.00 2g0k s VAL 18 Ca 0.47 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 2g0k s VAL 18 Cb -0.15 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 2g0k s VAL 18 CO 0.20 0.53 0.36 0.68 -3.33 0.00 0.00 175.10 173.54 2g0k s VAL 19 N 0.39 5.26 0.03 2.04 -7.23 0.94 -4.94 120.40 116.89 2g0k s VAL 19 Ca -0.13 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.17 2g0k s VAL 19 Cb -0.17 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.89 2g0k s VAL 19 CO 0.06 -0.31 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.66 2g0k s LYS 20 N -3.91 2.27 -0.18 4.82 2.36 -1.26 -0.50 119.74 123.33 2g0k s LYS 20 Ca 0.34 -0.89 -0.05 0.00 -2.55 0.00 0.00 55.97 52.83 2g0k s LYS 20 Cb -0.09 -2.32 0.07 0.00 -1.05 0.00 0.00 37.83 34.44 2g0k s LYS 20 CO 0.29 0.56 0.14 0.08 1.55 0.00 0.00 175.35 177.97 2g0k s VAL 21 N -0.99 -0.18 -0.23 4.02 1.01 -0.33 -1.40 120.40 122.31 2g0k s VAL 21 Ca 0.16 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2g0k s VAL 21 Cb -0.11 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.71 2g0k s VAL 21 CO 0.07 -0.24 -0.12 0.00 0.00 0.00 0.00 175.10 174.81 2g0k s ALA 22 N 2.21 2.30 0.24 5.51 0.00 -0.21 -2.07 121.76 129.74 2g0k s ALA 22 Ca 0.04 -1.47 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 2g0k s ALA 22 Cb -0.16 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 2g0k s ALA 22 CO -0.10 -0.95 0.76 0.20 0.00 0.00 0.00 175.76 175.66 2g0k s GLY 23 N 1.25 2.62 -0.19 0.00 0.00 -0.89 0.21 107.32 110.33 2g0k s GLY 23 Ca -0.04 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 2g0k s GLY 23 CO -0.07 0.57 0.16 0.00 0.00 0.00 0.00 173.10 173.76 2g0k s ALA 24 N -1.56 0.04 0.00 3.20 0.00 1.41 -2.43 121.76 122.42 2g0k s ALA 24 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2g0k s ALA 24 Cb -0.17 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2g0k s ALA 24 CO 0.21 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2g0k n GLY 25 N 5.30 1.29 3.95 0.00 0.00 -1.06 -2.12 105.19 112.55 2g0k n GLY 25 Ca -0.06 0.00 -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 3.42 -0.21 0.99 1.43 -0.69 -4.86 118.68 118.77 2g0k s LEU 26 Ca 0.00 0.34 -0.39 0.00 -1.03 0.00 0.00 54.13 53.05 2g0k s LEU 26 Cb 0.00 -3.20 -0.15 0.00 0.03 0.00 0.00 46.19 42.87 2g0k s LEU 26 CO 0.00 -0.93 1.72 0.00 0.23 0.00 0.00 176.35 177.37 2g0k n GLN 27 N -2.31 1.29 -2.37 1.70 6.02 -1.26 -4.36 117.38 116.09 2g0k n GLN 27 Ca 0.04 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.09 2g0k n GLN 27 Cb 0.58 -2.17 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 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 3.27 3.44 0.00 -1.58 0.00 -1.26 -2.35 121.76 123.27 2g0k s ALA 28 Ca 0.96 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2g0k s ALA 28 Cb -1.01 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 18.70 2g0k s ALA 28 CO 0.62 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2g0k n GLY 29 N 2.22 0.40 3.83 0.00 0.00 -0.38 -4.92 105.19 106.34 2g0k n GLY 29 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.93 5.35 0.39 2.61 2.01 -0.99 -4.83 115.64 118.24 2g0k s THR 30 Ca 0.00 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.27 2g0k s THR 30 Cb 0.00 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 30 CO 0.00 0.55 0.82 0.00 -0.69 0.00 0.00 174.62 175.30 2g0k s ALA 31 N -0.66 3.25 0.09 7.40 0.00 -1.26 -1.91 121.76 128.66 2g0k s ALA 31 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2g0k s ALA 31 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2g0k s ALA 31 CO 0.06 0.12 -0.07 0.71 0.00 0.00 0.00 175.76 176.58 2g0k s TYR 32 N -2.22 0.86 -0.20 0.00 2.02 -0.28 -4.49 117.35 113.05 2g0k s TYR 32 Ca 0.55 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2g0k s TYR 32 Cb -0.10 -0.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2g0k s TYR 32 CO 0.23 -0.13 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.38 2g0k s ASP 33 N -2.78 3.44 -0.13 2.29 1.01 -0.68 -2.97 116.67 116.85 2g0k s ASP 33 Ca 0.08 -0.80 -0.07 0.00 0.71 0.00 0.00 52.55 52.47 2g0k s ASP 33 Cb 0.03 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.41 2g0k s ASP 33 CO -0.04 -0.04 0.13 -0.69 0.21 0.00 0.00 175.17 174.74 2g0k s VAL 34 N 1.26 5.42 0.19 -1.27 1.01 -0.32 0.66 120.40 127.34 2g0k s VAL 34 Ca 0.02 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2g0k s VAL 34 Cb -0.14 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2g0k s VAL 34 CO -0.11 0.59 0.60 -0.83 0.00 0.00 0.00 175.10 175.35 2g0k s GLY 35 N -0.76 -0.40 -0.19 4.51 0.00 1.35 -0.24 107.32 111.59 2g0k s GLY 35 Ca 0.13 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.01 2g0k s GLY 35 CO 0.03 0.01 -0.11 1.62 0.00 0.00 0.00 173.10 174.65 2g0k s GLN 36 N -3.81 3.24 0.46 2.90 0.74 -1.26 0.90 119.66 122.84 2g0k s GLN 36 Ca 0.05 -0.71 0.07 0.00 0.05 0.00 0.00 55.36 54.82 2g0k s GLN 36 Cb -0.02 -2.79 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2g0k s GLN 36 CO -0.07 -0.14 0.37 0.00 -0.55 0.00 0.00 175.29 174.90 2g0k s ALA 38 N -2.58 -1.21 0.04 0.00 0.00 0.72 -2.35 121.76 116.38 2g0k s ALA 38 Ca 0.44 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 2g0k s ALA 38 Cb -0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.82 2g0k s ALA 38 CO 0.26 -0.56 1.63 -0.46 0.00 0.00 0.00 175.76 176.63 2g0k s TRP 39 N 2.12 2.38 -0.21 0.00 -0.00 -1.21 -0.98 118.94 121.04 2g0k s TRP 39 Ca -0.05 0.34 -0.03 0.00 -0.00 0.00 0.00 56.10 56.35 2g0k s TRP 39 Cb -0.10 -3.93 -0.12 0.00 -0.00 0.00 0.00 33.47 29.32 2g0k s TRP 39 CO -0.14 -3.76 -0.22 1.33 -0.00 0.00 0.00 176.95 174.17 2g0k n VAL 40 N 4.84 1.17 -4.06 5.86 0.24 -0.27 -4.69 118.33 121.43 2g0k n VAL 40 Ca 0.16 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 2g0k n VAL 40 Cb 0.41 -1.43 -0.09 0.00 -1.47 0.00 0.00 33.84 31.26 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 -6.33 0.24 -0.24 -1.34 1.01 0.30 -5.01 116.67 105.30 2g0k s ASP 41 Ca -0.28 -1.03 -0.34 0.00 0.71 0.00 0.00 52.55 51.60 2g0k s ASP 41 Cb 0.09 0.33 -0.11 0.00 1.01 0.00 0.00 42.92 44.24 2g0k s ASP 41 CO 0.44 -0.76 2.06 0.41 0.21 0.00 0.00 175.17 177.52 2g0k n THR 42 N -0.10 0.35 -0.96 -1.27 -1.04 -1.26 0.14 114.28 110.14 2g0k n THR 42 Ca -0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2g0k n THR 42 Cb 0.63 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 5.55 0.38 2.90 3.41 0.00 -1.26 -4.96 105.19 111.21 2g0k n GLY 43 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.89 1.48 0.31 1.61 1.01 0.38 -5.11 120.40 118.19 2g0k s VAL 44 Ca 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 61.98 60.63 2g0k s VAL 44 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2g0k s VAL 44 CO 0.00 -0.34 -0.08 -1.48 0.00 0.00 0.00 175.10 173.20 2g0k s LEU 45 N 1.37 2.83 0.06 3.92 0.05 -1.26 0.11 118.68 125.76 2g0k s LEU 45 Ca 0.01 -1.01 0.07 0.00 0.05 0.00 0.00 54.13 53.26 2g0k s LEU 45 Cb -0.18 -1.24 -0.03 0.00 -2.05 0.00 0.00 46.19 42.69 2g0k s LEU 45 CO -0.11 -0.11 -0.19 0.00 -0.55 0.00 0.00 176.35 175.39 2g0k s ALA 46 N -2.51 1.62 0.19 1.48 0.00 -0.15 -3.93 121.76 118.46 2g0k s ALA 46 Ca 0.32 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2g0k s ALA 46 Cb -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2g0k s ALA 46 CO 0.17 0.34 0.08 0.00 0.00 0.00 0.00 175.76 176.35 2g0k s ASN 48 N -3.19 5.01 0.00 0.00 2.47 -0.88 0.44 114.94 118.79 2g0k s ASN 48 Ca 0.30 -1.61 0.19 0.00 0.42 0.00 0.00 52.86 52.16 2g0k s ASN 48 Cb -0.09 -1.75 1.13 0.00 -1.45 0.00 0.00 41.25 39.09 2g0k s ASN 48 CO 0.21 -0.37 1.53 -0.81 -3.72 0.00 0.00 177.10 173.94 2g0k n PRO 49 N 4.58 0.62 0.04 0.43 -0.04 -1.26 -2.11 135.00 137.26 2g0k n PRO 49 Ca -0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2g0k n PRO 49 Cb 0.43 -1.48 0.23 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.98 3.10 -1.82 0.55 0.00 -1.26 -3.83 120.51 116.27 2g0k n ALA 50 Ca 0.14 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.36 2g0k n ALA 50 Cb 0.06 -1.17 0.14 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.87 1.49 -4.54 0.00 5.68 -0.90 -5.01 116.55 111.41 2g0k n ASP 51 Ca 0.04 -3.19 -0.42 0.00 -0.50 0.00 0.00 54.79 50.72 2g0k n ASP 51 Cb 0.40 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 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 -2.12 2.66 0.55 2.11 0.08 -1.24 -4.20 117.98 115.82 2g0k s PHE 52 Ca 0.34 0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.54 2g0k s PHE 52 Cb 0.35 -4.31 0.07 0.00 -0.57 0.00 0.00 43.02 38.56 2g0k s PHE 52 CO -0.09 -1.55 0.70 0.45 -0.10 0.00 0.00 175.22 174.63 2g0k s SER 53 N 3.08 5.10 0.02 1.36 0.15 0.67 -4.98 113.70 119.10 2g0k s SER 53 Ca 0.34 -0.85 -0.09 0.00 0.70 0.00 0.00 55.95 56.04 2g0k s SER 53 Cb -0.11 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2g0k s SER 53 CO 0.20 -1.22 0.19 -0.94 1.20 0.00 0.00 173.24 172.67 2g0k s SER 54 N -4.56 0.01 -0.10 5.45 1.04 -1.26 -2.30 113.70 111.99 2g0k s SER 54 Ca 0.57 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 2g0k s SER 54 Cb -0.06 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.45 2g0k s SER 54 CO 0.35 -0.50 0.93 0.54 0.98 0.00 0.00 173.24 175.55 2g0k s VAL 55 N -2.14 0.00 -0.02 5.02 0.11 -1.16 -4.96 120.40 117.25 2g0k s VAL 55 Ca -0.08 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2g0k s VAL 55 Cb -0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2g0k s VAL 55 CO -0.02 0.00 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.64 2g0k s THR 56 N -1.72 1.79 0.28 5.04 2.01 -1.26 -1.12 115.64 120.65 2g0k s THR 56 Ca -0.01 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 2g0k s THR 56 Cb -0.01 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 2g0k s THR 56 CO -0.01 0.51 0.90 0.00 -0.69 0.00 0.00 174.62 175.33 2g0k s ALA 57 N -0.49 3.29 1.00 7.40 0.00 -0.80 -4.66 121.76 127.49 2g0k s ALA 57 Ca 0.08 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 2g0k s ALA 57 Cb -0.09 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.92 2g0k s ALA 57 CO -0.01 0.21 0.10 -0.40 0.00 0.00 0.00 175.76 175.67 2g0k n ASP 58 N 0.91 0.01 0.30 0.00 5.75 -0.85 -1.25 116.55 121.42 2g0k n ASP 58 Ca -0.00 -1.04 0.18 0.00 -0.01 0.00 0.00 54.79 53.92 2g0k n ASP 58 Cb 0.49 -0.08 0.97 0.00 -1.03 0.00 0.00 41.12 41.48 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 59 N -1.98 1.16 -0.04 2.12 0.00 -1.91 0.13 119.26 118.74 2g0k h ALA 59 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2g0k h ALA 59 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2g0k h ALA 59 CO 0.02 0.04 0.00 -1.71 0.00 0.00 0.00 179.25 177.60 2g0k n ASN 60 N -3.35 0.33 -2.48 0.00 5.15 -1.26 -4.81 115.26 108.84 2g0k n ASN 60 Ca -0.02 -1.53 -0.21 0.00 -0.60 0.00 0.00 54.58 52.22 2g0k n ASN 60 Cb 0.15 -0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.83 -0.49 3.13 8.20 0.00 0.40 -4.63 105.19 112.63 2g0k n GLY 61 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2g0k n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g0k s SER 62 N -2.19 2.32 0.32 1.61 0.15 -1.26 -1.70 113.70 112.95 2g0k s SER 62 Ca 0.06 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.41 2g0k s SER 62 Cb -0.03 -0.89 -0.06 0.00 -1.71 0.00 0.00 66.02 63.34 2g0k s SER 62 CO 0.07 0.12 -0.11 0.00 1.20 0.00 0.00 173.24 174.53 2g0k s ALA 63 N 0.30 2.80 -0.10 5.45 0.00 -1.02 -2.01 121.76 127.19 2g0k s ALA 63 Ca -0.11 -2.02 -0.07 0.00 0.00 0.00 0.00 51.96 49.76 2g0k s ALA 63 Cb -0.15 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2g0k s ALA 63 CO 0.04 0.09 0.25 -1.54 0.00 0.00 0.00 175.76 174.60 2g0k s SER 64 N -3.56 -0.26 0.10 0.00 1.04 -1.26 -2.09 113.70 107.67 2g0k s SER 64 Ca 0.31 0.51 -0.26 0.00 0.48 0.00 0.00 55.95 56.99 2g0k s SER 64 Cb 0.01 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.68 2g0k s SER 64 CO 0.15 -0.12 0.89 -0.89 0.98 0.00 0.00 173.24 174.26 2g0k s THR 65 N 0.63 0.00 -0.12 2.02 2.01 -0.88 -4.90 115.64 114.40 2g0k s THR 65 Ca -0.04 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2g0k s THR 65 Cb -0.05 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.93 2g0k s THR 65 CO -0.04 0.00 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.26 2g0k s SER 66 N -2.75 2.80 0.22 3.53 0.01 -1.26 -1.18 113.70 115.06 2g0k s SER 66 Ca 0.09 -0.52 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 2g0k s SER 66 Cb -0.01 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 2g0k s SER 66 CO -0.03 0.06 0.40 -0.22 0.41 0.00 0.00 173.24 173.87 2g0k s LEU 67 N 0.81 4.22 -0.27 2.44 0.20 0.34 -4.91 118.68 121.51 2g0k s LEU 67 Ca -0.09 0.38 -0.09 0.00 0.69 0.00 0.00 54.13 55.02 2g0k s LEU 67 Cb -0.16 -3.16 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2g0k s LEU 67 CO -0.00 -0.06 0.13 0.28 -0.29 0.00 0.00 176.35 176.40 2g0k s THR 68 N -1.91 4.71 -0.08 3.68 -1.32 -1.26 -0.04 115.64 119.42 2g0k s THR 68 Ca 0.38 -0.09 -0.26 0.00 -1.21 0.00 0.00 61.69 60.51 2g0k s THR 68 Cb -0.11 -3.25 -0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2g0k s THR 68 CO 0.30 0.26 0.80 -0.69 -2.21 0.00 0.00 174.62 173.08 2g0k s VAL 69 N 1.67 4.96 0.23 5.08 1.01 -0.98 -4.85 120.40 127.51 2g0k s VAL 69 Ca 0.06 1.65 0.11 0.00 0.00 0.00 0.00 61.98 63.81 2g0k s VAL 69 Cb -0.16 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2g0k s VAL 69 CO 0.07 0.17 -0.20 -0.13 0.00 0.00 0.00 175.10 175.01 2g0k s ARG 70 N 1.19 1.67 0.06 2.72 3.00 -1.26 -3.70 118.95 122.63 2g0k s ARG 70 Ca 0.41 -1.59 0.18 0.00 0.00 0.00 0.00 55.73 54.73 2g0k s ARG 70 Cb -0.18 -1.86 -0.13 0.00 0.00 0.00 0.00 34.95 32.77 2g0k s ARG 70 CO 0.19 0.37 0.81 2.89 0.00 0.00 0.00 175.30 179.56 2g0k n ARG 71 N -0.17 0.62 -3.61 3.54 1.85 -1.26 -4.66 116.66 112.97 2g0k n ARG 71 Ca -0.09 0.18 -0.16 0.00 -1.00 0.00 0.00 57.85 56.78 2g0k n ARG 71 Cb 0.58 -1.79 -0.07 0.00 -1.05 0.00 0.00 32.46 30.13 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 -5.66 -0.52 -0.21 2.89 0.01 -1.26 0.88 113.70 109.83 2g0k s SER 72 Ca -0.03 0.62 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 2g0k s SER 72 Cb 0.09 0.59 0.15 0.00 0.21 0.00 0.00 66.02 67.06 2g0k s SER 72 CO 0.81 -0.50 1.19 0.72 0.41 0.00 0.00 173.24 175.88 2g0k s PHE 73 N -0.98 -0.17 -0.20 2.43 -0.12 -0.64 -4.94 117.98 113.34 2g0k s PHE 73 Ca -0.10 0.24 -0.34 0.00 -0.05 0.00 0.00 56.93 56.68 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 0.07 -0.19 2.03 -0.85 -0.05 0.00 0.00 175.22 176.23 2g0k n GLU 74 N 0.37 1.74 -2.08 1.99 0.28 -1.26 0.11 120.64 121.79 2g0k n GLU 74 Ca -0.03 0.57 -0.39 0.00 -0.16 0.00 0.00 57.16 57.15 2g0k n GLU 74 Cb 0.58 -2.67 -0.03 0.00 1.43 0.00 0.00 31.44 30.76 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 5.84 0.29 -0.71 -1.84 0.00 0.22 -4.06 107.32 107.06 2g0k s GLY 75 Ca 1.00 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 44.82 2g0k s GLY 75 CO 0.49 3.35 1.15 -1.36 0.00 0.00 0.00 173.10 176.73 2g0k s PHE 76 N 8.70 2.45 0.21 1.90 0.40 1.52 -1.02 117.98 132.14 2g0k s PHE 76 Ca 0.65 -0.27 -0.32 0.00 -0.60 0.00 0.00 56.93 56.40 2g0k s PHE 76 Cb -0.13 -4.49 -0.12 0.00 0.51 0.00 0.00 43.02 38.79 2g0k s PHE 76 CO 0.21 -1.90 1.66 -0.11 0.70 0.00 0.00 175.22 175.78 2g0k n LEU 77 N 8.67 3.81 -0.34 -0.37 7.94 0.94 0.24 117.00 137.89 2g0k n LEU 77 Ca 0.00 1.08 0.26 0.00 -1.11 0.00 0.00 56.01 56.25 2g0k n LEU 77 Cb 0.47 -1.54 0.56 0.00 0.53 0.00 0.00 43.42 43.44 2g0k n LEU 77 CO 0.68 0.05 1.23 2.19 -1.11 0.00 0.00 177.39 180.43 2g0k h PHE 78 N 6.19 0.57 0.00 1.96 -5.15 -1.86 1.61 116.94 120.26 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.22 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.23 2g0k h PHE 78 CO 0.62 0.01 0.08 0.22 -2.00 0.00 0.00 178.31 177.24 2g0k h ASP 79 N 0.30 0.00 0.00 -0.68 3.58 -1.92 -3.44 116.42 114.26 2g0k h ASP 79 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2g0k h ASP 79 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 2g0k h ASP 79 CO -0.29 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 2g0k n GLY 80 N -1.24 1.50 3.52 -0.78 0.00 0.55 -5.10 105.19 103.64 2g0k n GLY 80 Ca -0.02 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 3.01 -0.71 2.61 2.01 -1.07 -4.93 115.64 114.56 2g0k s THR 81 Ca 0.00 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.24 2g0k s THR 81 Cb 0.00 -2.42 0.09 0.00 0.01 0.00 0.00 72.50 70.17 2g0k s THR 81 CO 0.00 0.02 0.96 0.00 -0.69 0.00 0.00 174.62 174.91 2g0k s ARG 82 N -2.40 3.20 0.04 4.92 1.70 -1.26 -0.04 118.95 125.10 2g0k s ARG 82 Ca 0.21 -1.11 -0.28 0.00 -0.47 0.00 0.00 55.73 54.07 2g0k s ARG 82 Cb -0.10 -4.38 -0.17 0.00 -0.57 0.00 0.00 34.95 29.73 2g0k s ARG 82 CO 0.12 -1.77 1.41 2.35 -1.08 0.00 0.00 175.30 176.34 2g0k h TRP 83 N 9.35 -0.62 0.00 5.89 7.01 -1.45 -3.48 115.95 132.64 2g0k h TRP 83 Ca -0.19 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.79 2g0k h TRP 83 Cb 1.06 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 2g0k h TRP 83 CO 0.99 -0.32 0.00 0.41 -2.79 0.00 0.00 178.44 176.73 2g0k n GLY 84 N -0.90 2.18 3.54 2.65 0.00 -1.24 -4.94 105.19 106.48 2g0k n GLY 84 Ca -0.11 -1.58 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.67 0.22 -3.14 2.61 -1.04 -1.26 0.69 114.28 110.69 2g0k n THR 85 Ca 0.00 -0.43 -0.34 0.00 -2.04 0.00 0.00 64.05 61.24 2g0k n THR 85 Cb 0.00 -2.23 -0.06 0.00 -1.82 0.00 0.00 70.33 66.22 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 8.60 4.64 -0.68 12.58 1.01 0.12 -4.84 120.40 141.82 2g0k s VAL 86 Ca 1.05 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 64.03 2g0k s VAL 86 Cb -0.52 -3.72 0.18 0.00 0.00 0.00 0.00 36.38 32.32 2g0k s VAL 86 CO 0.39 0.00 0.54 -1.81 0.00 0.00 0.00 175.10 174.23 2g0k s ASP 87 N -1.99 5.76 0.60 3.32 1.01 -1.26 -1.63 116.67 122.48 2g0k s ASP 87 Ca 0.49 -2.75 0.29 0.00 0.71 0.00 0.00 52.55 51.28 2g0k s ASP 87 Cb -0.13 -1.98 1.51 0.00 1.01 0.00 0.00 42.92 43.33 2g0k s ASP 87 CO 0.19 -0.45 1.93 0.00 0.21 0.00 0.00 175.17 177.04 2g0k n THR 89 N -3.64 0.07 -0.01 0.00 -2.24 -1.10 -3.13 114.28 104.22 2g0k n THR 89 Ca 0.06 0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2g0k n THR 89 Cb 0.59 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.17 0.18 -4.70 4.28 -1.04 0.50 -5.04 114.28 107.30 2g0k n THR 90 Ca 0.17 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 2g0k n THR 90 Cb 0.17 -0.38 -0.07 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.96 0.49 -2.69 2.41 0.00 -0.34 -5.07 120.51 113.35 2g0k n ALA 91 Ca -0.05 -2.29 -0.37 0.00 0.00 0.00 0.00 53.44 50.73 2g0k n ALA 91 Cb 0.44 1.34 -0.06 0.00 0.00 0.00 0.00 19.45 21.16 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 -2.98 3.72 0.35 0.00 0.00 -1.26 -4.64 121.76 116.94 2g0k s ALA 92 Ca 0.07 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2g0k s ALA 92 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 2g0k s ALA 92 CO 0.05 0.41 0.41 0.00 0.00 0.00 0.00 175.76 176.63 2g0k s GLN 94 N -4.13 0.36 0.46 0.00 0.74 -0.99 0.60 119.66 116.70 2g0k s GLN 94 Ca 0.45 0.67 -0.00 0.00 0.05 0.00 0.00 55.36 56.52 2g0k s GLN 94 Cb -0.08 0.15 -0.00 0.00 1.10 0.00 0.00 33.01 34.18 2g0k s GLN 94 CO 0.29 -0.08 0.69 0.08 -0.55 0.00 0.00 175.29 175.72 2g0k s VAL 95 N 1.57 4.01 0.00 1.34 1.01 -0.59 -0.54 120.40 127.21 2g0k s VAL 95 Ca -0.08 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2g0k s VAL 95 Cb -0.04 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.95 2g0k s VAL 95 CO -0.15 -0.37 1.05 -0.83 0.00 0.00 0.00 175.10 174.80 2g0k s GLY 96 N -4.22 -0.35 0.26 4.51 0.00 0.26 -3.51 107.32 104.26 2g0k s GLY 96 Ca 0.49 0.81 0.05 0.00 0.00 0.00 0.00 44.72 46.07 2g0k s GLY 96 CO 0.39 0.24 0.37 1.08 0.00 0.00 0.00 173.10 175.17 2g0k s LEU 97 N -2.65 4.23 -0.24 0.66 1.02 1.47 0.41 118.68 123.57 2g0k s LEU 97 Ca 0.10 0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.19 2g0k s LEU 97 Cb 0.00 -2.81 0.12 0.00 0.02 0.00 0.00 46.19 43.52 2g0k s LEU 97 CO -0.04 -0.13 0.49 -0.44 0.02 0.00 0.00 176.35 176.25 2g0k s SER 98 N -4.01 -0.55 0.00 2.29 0.01 2.99 -4.06 113.70 110.38 2g0k s SER 98 Ca 0.36 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2g0k s SER 98 Cb -0.09 1.66 0.00 0.00 0.21 0.00 0.00 66.02 67.80 2g0k s SER 98 CO 0.29 -0.24 0.00 -0.90 0.41 0.00 0.00 173.24 172.80 2g0k n ASP 99 N 5.41 0.99 -0.34 2.44 5.75 -1.26 -1.69 116.55 127.84 2g0k n ASP 99 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.82 2g0k n ASP 99 Cb 0.50 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.91 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 0.21 1.69 0.00 2.12 0.00 -1.98 -0.26 119.26 121.04 2g0k h ALA 100 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 100 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2g0k h ALA 100 CO 0.00 -0.02 -1.51 0.00 0.00 0.00 0.00 179.25 177.71 2g0k n ALA 101 N -2.35 1.82 -0.84 0.00 0.00 -1.26 -5.00 120.51 112.87 2g0k n ALA 101 Ca 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2g0k n ALA 101 Cb 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2g0k n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g0k n GLY 102 N 1.44 0.63 1.86 0.00 0.00 -0.11 -5.12 105.19 103.90 2g0k n GLY 102 Ca -0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2g0k n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g0k n ASN 103 N -0.54 1.58 0.00 1.61 2.04 -1.26 -4.70 115.26 113.99 2g0k n ASN 103 Ca 0.00 -1.86 0.00 0.00 -0.44 0.00 0.00 54.58 52.28 2g0k n ASN 103 Cb 0.23 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 2g0k n ASN 103 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2g0k n GLY 104 N 1.72 -0.09 3.79 4.83 0.00 -1.26 -2.27 105.19 111.90 2g0k n GLY 104 Ca 0.02 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2g0k n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g0k s PRO 105 N -2.00 2.47 -0.12 1.61 0.04 -1.26 -4.44 135.00 131.30 2g0k s PRO 105 Ca 0.00 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 2g0k s PRO 105 Cb 0.00 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 2g0k s PRO 105 CO 0.00 -1.45 0.86 -0.85 0.04 0.00 0.00 177.00 175.60 2g0k n GLU 106 N -3.37 0.00 -0.99 4.56 0.28 -1.07 -4.48 120.64 115.56 2g0k n GLU 106 Ca 0.08 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.72 2g0k n GLU 106 Cb 0.54 -1.04 -0.04 0.00 1.43 0.00 0.00 31.44 32.33 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 1.62 -0.77 3.05 -1.84 0.00 -1.26 -4.77 105.19 101.21 2g0k n GLY 107 Ca 0.16 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.40 2.39 0.46 1.61 1.01 -1.23 -5.07 120.40 119.18 2g0k s VAL 108 Ca 0.52 -2.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.32 2g0k s VAL 108 Cb -0.74 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2g0k s VAL 108 CO 0.39 -0.45 0.79 0.00 0.00 0.00 0.00 175.10 175.83 2g0k s ALA 109 N 0.99 3.38 0.25 5.51 0.00 -1.26 -1.54 121.76 129.08 2g0k s ALA 109 Ca 0.05 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.69 2g0k s ALA 109 Cb -0.20 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 2g0k s ALA 109 CO -0.07 -0.25 -0.10 0.42 0.00 0.00 0.00 175.76 175.77 2g0k s ILE 110 N -2.63 1.70 -0.05 0.00 1.01 2.55 -4.80 121.20 118.98 2g0k s ILE 110 Ca 0.49 -2.17 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 2g0k s ILE 110 Cb -0.10 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2g0k s ILE 110 CO 0.41 -0.44 0.09 -0.55 0.00 0.00 0.00 174.94 174.45 2g0k s SER 111 N -3.39 0.88 -0.25 3.58 0.15 -0.99 -3.30 113.70 110.38 2g0k s SER 111 Ca 0.26 0.15 -0.13 0.00 0.70 0.00 0.00 55.95 56.94 2g0k s SER 111 Cb 0.01 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2g0k s SER 111 CO 0.10 -0.23 0.27 -0.36 1.20 0.00 0.00 173.24 174.22 2g0k s PHE 112 N 2.06 3.28 0.00 3.44 0.40 -1.26 -3.31 117.98 122.58 2g0k s PHE 112 Ca 0.03 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2g0k s PHE 112 Cb -0.12 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 40.97 2g0k s PHE 112 CO -0.04 -0.10 0.00 0.09 0.70 0.00 0.00 175.22 175.87