#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 3.50 1.08 0.00 0.00 -1.26 -4.66 121.76 120.42 2g0k s ALA 2 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 2g0k s ALA 2 Cb 0.00 -3.07 0.12 0.00 0.00 0.00 0.00 23.12 20.17 2g0k s ALA 2 CO 0.00 -0.52 0.49 -0.35 0.00 0.00 0.00 175.76 175.38 2g0k n PRO 3 N 4.93 -1.58 -3.18 0.00 -0.04 -1.26 -4.15 135.00 129.71 2g0k n PRO 3 Ca 0.01 -0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 62.26 2g0k n PRO 3 Cb 0.50 -0.67 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.95 4.91 0.02 0.52 2.01 -0.96 -2.42 115.64 117.78 2g0k s THR 4 Ca 0.31 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2g0k s THR 4 Cb -0.02 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2g0k s THR 4 CO 0.23 -0.62 -0.17 0.00 -0.69 0.00 0.00 174.62 173.37 2g0k s ALA 5 N 2.57 1.40 -0.39 7.40 0.00 -1.24 0.63 121.76 132.13 2g0k s ALA 5 Ca 0.17 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 2g0k s ALA 5 Cb -0.17 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2g0k s ALA 5 CO 0.15 0.31 0.35 0.95 0.00 0.00 0.00 175.76 177.52 2g0k s THR 6 N -0.68 5.19 -0.01 0.00 -4.23 1.06 -4.80 115.64 112.18 2g0k s THR 6 Ca 0.05 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2g0k s THR 6 Cb -0.08 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 2g0k s THR 6 CO 0.01 -0.26 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.11 2g0k s VAL 7 N 1.91 3.88 1.18 2.29 1.01 -1.24 -0.39 120.40 129.04 2g0k s VAL 7 Ca 0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2g0k s VAL 7 Cb -0.18 -2.70 0.27 0.00 0.00 0.00 0.00 36.38 33.78 2g0k s VAL 7 CO 0.12 0.41 1.07 0.28 0.00 0.00 0.00 175.10 176.98 2g0k s THR 8 N -1.02 1.69 -0.17 3.92 -1.32 0.72 -4.92 115.64 114.55 2g0k s THR 8 Ca 0.18 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.36 2g0k s THR 8 Cb -0.11 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 8 CO 0.08 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.76 2g0k s PRO 9 N -5.17 4.10 -0.44 7.08 0.04 -1.26 -4.78 135.00 134.56 2g0k s PRO 9 Ca 0.69 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.51 2g0k s PRO 9 Cb -0.14 -3.88 0.43 0.00 0.04 0.00 0.00 34.50 30.95 2g0k s PRO 9 CO 0.57 -0.90 1.29 -1.13 0.04 0.00 0.00 177.00 176.87 2g0k n SER 10 N 7.20 5.25 -3.94 6.66 3.41 -1.26 -4.91 113.62 126.03 2g0k n SER 10 Ca 0.16 -3.75 -0.31 0.00 -0.26 0.00 0.00 58.87 54.72 2g0k n SER 10 Cb 0.45 -0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.21 4.15 0.00 4.04 1.04 -1.25 -2.26 113.70 116.22 2g0k s SER 11 Ca 0.50 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2g0k s SER 11 Cb 0.41 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2g0k s SER 11 CO -0.12 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2g0k n GLY 12 N 4.58 1.29 3.62 7.32 0.00 -1.22 -4.79 105.19 115.98 2g0k n GLY 12 Ca -0.07 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 3.78 0.43 0.99 1.43 -1.26 -4.83 118.68 119.23 2g0k s LEU 13 Ca 0.00 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2g0k s LEU 13 Cb 0.00 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2g0k s LEU 13 CO 0.00 0.17 0.48 -0.44 0.23 0.00 0.00 176.35 176.79 2g0k s SER 14 N 0.39 5.27 0.32 2.29 0.01 -1.26 -4.80 113.70 115.92 2g0k s SER 14 Ca 0.03 -0.65 -0.26 0.00 1.31 0.00 0.00 55.95 56.38 2g0k s SER 14 Cb -0.12 -0.50 -0.14 0.00 0.21 0.00 0.00 66.02 65.46 2g0k s SER 14 CO 0.00 -0.76 0.69 -0.67 0.41 0.00 0.00 173.24 172.91 2g0k n ASP 15 N -1.73 -0.25 0.00 2.44 2.03 -1.26 -1.89 116.55 115.89 2g0k n ASP 15 Ca 0.06 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2g0k n ASP 15 Cb 0.61 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 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 1.65 3.09 3.80 0.27 0.00 -1.26 -5.06 105.19 107.68 2g0k n GLY 16 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.80 4.02 -0.13 2.61 2.01 -0.79 -5.04 115.64 115.52 2g0k s THR 17 Ca 0.00 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2g0k s THR 17 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.89 2g0k s THR 17 CO 0.00 -0.15 -0.16 0.54 -0.69 0.00 0.00 174.62 174.16 2g0k s VAL 18 N -1.91 1.61 0.54 3.82 0.11 -1.26 -3.56 120.40 119.74 2g0k s VAL 18 Ca 0.61 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2g0k s VAL 18 Cb -0.16 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 2g0k s VAL 18 CO 0.20 0.46 0.79 0.68 -3.33 0.00 0.00 175.10 173.90 2g0k s VAL 19 N 1.17 3.32 -0.03 2.04 -7.23 -0.02 -4.96 120.40 114.69 2g0k s VAL 19 Ca -0.02 -0.43 0.07 0.00 -1.81 0.00 0.00 61.98 59.79 2g0k s VAL 19 Cb -0.14 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 2g0k s VAL 19 CO -0.06 -0.22 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.54 2g0k s LYS 20 N -4.78 1.98 -0.12 4.82 2.36 -1.26 -2.13 119.74 120.62 2g0k s LYS 20 Ca 0.54 -0.81 -0.01 0.00 -2.55 0.00 0.00 55.97 53.14 2g0k s LYS 20 Cb -0.10 -1.83 0.03 0.00 -1.05 0.00 0.00 37.83 34.88 2g0k s LYS 20 CO 0.40 0.44 -0.02 0.14 1.55 0.00 0.00 175.35 177.86 2g0k s VAL 21 N -0.39 0.69 -0.17 4.02 -7.23 -0.93 -0.20 120.40 116.18 2g0k s VAL 21 Ca 0.05 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2g0k s VAL 21 Cb -0.10 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 36.01 2g0k s VAL 21 CO 0.00 0.20 -0.10 0.00 -0.31 0.00 0.00 175.10 174.90 2g0k s ALA 22 N 1.83 1.80 0.29 1.32 0.00 0.48 -2.91 121.76 124.57 2g0k s ALA 22 Ca 0.03 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 2g0k s ALA 22 Cb -0.13 -1.17 -0.09 0.00 0.00 0.00 0.00 23.12 21.72 2g0k s ALA 22 CO -0.07 -0.69 0.87 0.20 0.00 0.00 0.00 175.76 176.07 2g0k s GLY 23 N 1.49 2.74 -0.23 0.00 0.00 -1.13 0.35 107.32 110.53 2g0k s GLY 23 Ca 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 2g0k s GLY 23 CO -0.09 0.81 0.20 0.00 0.00 0.00 0.00 173.10 174.02 2g0k s ALA 24 N -1.58 -0.04 0.00 3.20 0.00 2.76 -3.14 121.76 122.96 2g0k s ALA 24 Ca 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2g0k s ALA 24 Cb -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2g0k s ALA 24 CO 0.23 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2g0k n GLY 25 N 5.30 1.37 0.00 0.00 0.00 -1.26 -2.27 105.19 108.33 2g0k n GLY 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2g0k n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0k n LEU 26 N 0.00 0.00 -4.68 0.99 4.77 -1.22 -4.74 117.00 112.12 2g0k n LEU 26 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2g0k n LEU 26 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2g0k n LEU 26 CO 0.00 -0.25 0.80 -1.10 -1.33 0.00 0.00 177.39 175.51 2g0k s GLN 27 N -0.64 4.38 0.06 3.23 1.11 -1.26 -4.81 119.66 121.73 2g0k s GLN 27 Ca 0.00 1.35 -0.31 0.00 0.01 0.00 0.00 55.36 56.41 2g0k s GLN 27 Cb 0.00 -3.56 -0.06 0.00 -1.01 0.00 0.00 33.01 28.38 2g0k s GLN 27 CO 0.00 -0.38 1.23 0.00 0.01 0.00 0.00 175.29 176.15 2g0k s ALA 28 N 2.26 3.43 0.00 6.09 0.00 -1.26 -2.32 121.76 129.96 2g0k s ALA 28 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2g0k s ALA 28 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2g0k s ALA 28 CO 0.15 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2g0k n GLY 29 N 3.27 0.50 3.85 0.00 0.00 -1.22 -4.98 105.19 106.62 2g0k n GLY 29 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.17 5.00 0.22 2.61 2.01 -0.98 -4.86 115.64 117.47 2g0k s THR 30 Ca 0.00 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 2g0k s THR 30 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 2g0k s THR 30 CO 0.00 0.34 0.53 0.00 -0.69 0.00 0.00 174.62 174.80 2g0k s ALA 31 N -1.34 3.59 0.02 7.40 0.00 -1.26 -2.42 121.76 127.74 2g0k s ALA 31 Ca 0.32 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2g0k s ALA 31 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 2g0k s ALA 31 CO 0.17 0.52 -0.04 0.71 0.00 0.00 0.00 175.76 177.13 2g0k s TYR 32 N -1.80 0.35 -0.28 0.00 2.02 -1.13 -3.64 117.35 112.86 2g0k s TYR 32 Ca 0.47 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 2g0k s TYR 32 Cb -0.11 -0.23 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 2g0k s TYR 32 CO 0.22 -0.09 0.01 -0.51 -1.57 0.00 0.00 175.55 173.60 2g0k s ASP 33 N -0.99 4.74 0.11 2.29 1.11 4.81 -3.46 116.67 125.29 2g0k s ASP 33 Ca -0.08 -0.90 0.02 0.00 0.18 0.00 0.00 52.55 51.76 2g0k s ASP 33 Cb -0.07 -1.76 -0.04 0.00 1.07 0.00 0.00 42.92 42.13 2g0k s ASP 33 CO -0.00 -0.18 0.22 -0.69 1.18 0.00 0.00 175.17 175.69 2g0k s VAL 34 N 1.38 5.16 0.00 -1.27 1.01 -0.13 1.16 120.40 127.71 2g0k s VAL 34 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2g0k s VAL 34 Cb -0.18 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2g0k s VAL 34 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2g0k n GLY 35 N -0.11 -0.21 3.44 4.51 0.00 2.15 -0.74 105.19 114.23 2g0k n GLY 35 Ca -0.07 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2g0k n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2g0k s GLN 36 N -2.00 3.62 0.30 1.61 0.74 -1.23 -1.14 119.66 121.56 2g0k s GLN 36 Ca 0.00 -0.50 0.08 0.00 0.05 0.00 0.00 55.36 54.99 2g0k s GLN 36 Cb 0.00 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 2g0k s GLN 36 CO 0.00 -0.21 0.16 0.00 -0.55 0.00 0.00 175.29 174.69 2g0k s ALA 38 N -2.30 -0.78 0.05 0.00 0.00 0.46 -2.63 121.76 116.57 2g0k s ALA 38 Ca 0.36 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 2g0k s ALA 38 Cb -0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2g0k s ALA 38 CO 0.24 -0.18 1.71 -0.46 0.00 0.00 0.00 175.76 177.07 2g0k s TRP 39 N 0.60 2.18 -0.23 0.00 -0.00 -1.26 -0.61 118.94 119.62 2g0k s TRP 39 Ca -0.04 0.16 -0.00 0.00 -0.00 0.00 0.00 56.10 56.23 2g0k s TRP 39 Cb -0.05 -4.02 -0.15 0.00 -0.00 0.00 0.00 33.47 29.26 2g0k s TRP 39 CO -0.04 -4.19 -0.22 0.28 -0.00 0.00 0.00 176.95 172.78 2g0k n VAL 40 N 4.94 1.33 -4.03 5.86 0.31 -0.37 -4.87 118.33 121.50 2g0k n VAL 40 Ca 0.17 -0.49 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 2g0k n VAL 40 Cb 0.41 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 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 -6.38 0.81 -0.31 4.52 1.11 0.44 -5.00 116.67 111.86 2g0k s ASP 41 Ca -0.32 -1.45 -0.28 0.00 0.18 0.00 0.00 52.55 50.68 2g0k s ASP 41 Cb 0.09 0.71 -0.03 0.00 1.07 0.00 0.00 42.92 44.76 2g0k s ASP 41 CO 0.52 -1.40 1.92 -0.89 1.18 0.00 0.00 175.17 176.50 2g0k s THR 42 N -2.81 3.34 -0.00 -1.27 2.01 -1.26 -1.10 115.64 114.54 2g0k s THR 42 Ca 0.28 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2g0k s THR 42 Cb -0.02 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2g0k s THR 42 CO 0.19 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2g0k n GLY 43 N 5.53 0.48 2.99 4.40 0.00 -1.26 -5.01 105.19 112.32 2g0k n GLY 43 Ca 0.25 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2g0k n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s VAL 44 N -1.97 0.91 0.16 1.61 0.11 -0.26 -5.11 120.40 115.85 2g0k s VAL 44 Ca 0.00 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2g0k s VAL 44 Cb 0.00 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2g0k s VAL 44 CO 0.00 0.30 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.55 2g0k s LEU 45 N 0.57 2.33 0.03 2.54 0.05 -1.26 -0.42 118.68 122.52 2g0k s LEU 45 Ca -0.10 -1.10 0.05 0.00 0.05 0.00 0.00 54.13 53.03 2g0k s LEU 45 Cb -0.13 -0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 43.82 2g0k s LEU 45 CO 0.02 -0.47 -0.15 0.00 -0.55 0.00 0.00 176.35 175.19 2g0k s ALA 46 N -3.53 1.27 0.24 1.48 0.00 0.22 -3.87 121.76 117.58 2g0k s ALA 46 Ca 0.20 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.40 2g0k s ALA 46 Cb 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2g0k s ALA 46 CO 0.02 0.26 0.08 0.00 0.00 0.00 0.00 175.76 176.12 2g0k s ASN 48 N -3.59 3.30 0.00 0.00 4.22 -0.91 0.34 114.94 118.30 2g0k s ASN 48 Ca 0.31 -0.75 0.17 0.00 -2.14 0.00 0.00 52.86 50.45 2g0k s ASN 48 Cb -0.08 -1.48 0.99 0.00 1.28 0.00 0.00 41.25 41.96 2g0k s ASN 48 CO 0.22 -0.03 1.41 -0.81 -2.04 0.00 0.00 177.10 175.85 2g0k n PRO 49 N 4.60 0.62 0.16 3.55 -0.04 -1.26 -2.31 135.00 140.32 2g0k n PRO 49 Ca -0.20 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.37 2g0k n PRO 49 Cb 0.49 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k h ALA 50 N 3.07 0.77 -0.03 0.55 0.00 -1.95 -3.32 119.26 118.35 2g0k h ALA 50 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2g0k h ALA 50 Cb 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 2g0k h ALA 50 CO 0.00 0.09 -0.78 -0.25 0.00 0.00 0.00 179.25 178.32 2g0k n ASP 51 N -2.94 1.47 -4.59 0.00 8.00 -0.98 -5.02 116.55 112.50 2g0k n ASP 51 Ca 0.02 -2.97 -0.40 0.00 0.71 0.00 0.00 54.79 52.14 2g0k n ASP 51 Cb 0.57 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 41.17 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2g0k s PHE 52 N -1.77 3.23 0.51 1.24 -0.12 -1.20 -3.47 117.98 116.39 2g0k s PHE 52 Ca 0.36 0.32 0.04 0.00 -0.05 0.00 0.00 56.93 57.60 2g0k s PHE 52 Cb 0.38 -2.70 0.00 0.00 -0.63 0.00 0.00 43.02 40.07 2g0k s PHE 52 CO -0.11 -0.35 0.23 0.45 -0.05 0.00 0.00 175.22 175.39 2g0k s SER 53 N 1.67 4.42 0.05 1.98 0.15 0.08 -4.95 113.70 117.10 2g0k s SER 53 Ca 0.16 -1.36 -0.10 0.00 0.70 0.00 0.00 55.95 55.36 2g0k s SER 53 Cb -0.16 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2g0k s SER 53 CO 0.11 -0.92 0.21 -0.94 1.20 0.00 0.00 173.24 172.90 2g0k s SER 54 N -4.08 0.03 0.03 5.45 1.04 -1.26 -2.25 113.70 112.66 2g0k s SER 54 Ca 0.26 -0.39 -0.28 0.00 0.48 0.00 0.00 55.95 56.02 2g0k s SER 54 Cb 0.00 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 54 CO 0.15 -0.59 0.91 0.54 0.98 0.00 0.00 173.24 175.23 2g0k s VAL 55 N -2.75 0.00 -0.08 5.02 0.11 -1.22 -4.99 120.40 116.49 2g0k s VAL 55 Ca -0.04 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2g0k s VAL 55 Cb -0.00 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.63 2g0k s VAL 55 CO -0.05 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -3.15 1.22 0.69 5.04 2.01 -1.26 -2.85 115.64 117.33 2g0k s THR 56 Ca 0.07 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2g0k s THR 56 Cb -0.01 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.40 2g0k s THR 56 CO -0.06 0.38 1.25 0.00 -0.69 0.00 0.00 174.62 175.50 2g0k s ALA 57 N 0.76 2.22 0.33 7.40 0.00 -1.02 -4.81 121.76 126.64 2g0k s ALA 57 Ca -0.12 1.06 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2g0k s ALA 57 Cb -0.16 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2g0k s ALA 57 CO 0.03 -1.78 0.07 -0.40 0.00 0.00 0.00 175.76 173.68 2g0k n ASP 58 N -2.34 0.12 0.25 0.00 5.68 -0.74 -3.62 116.55 115.89 2g0k n ASP 58 Ca 0.15 -1.09 0.08 0.00 -0.50 0.00 0.00 54.79 53.42 2g0k n ASP 58 Cb 0.49 -0.05 0.62 0.00 -1.14 0.00 0.00 41.12 41.04 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 -0.25 1.85 0.00 2.12 0.00 -1.95 0.18 119.26 121.21 2g0k h ALA 59 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2g0k h ALA 59 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2g0k h ALA 59 CO 0.03 0.08 0.00 -1.71 0.00 0.00 0.00 179.25 177.64 2g0k n ASN 60 N -4.40 0.00 0.00 0.00 2.85 -1.26 -4.86 115.26 107.60 2g0k n ASN 60 Ca -0.03 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2g0k n ASN 60 Cb 0.14 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.78 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2g0k n GLY 61 N 0.83 0.51 3.87 8.20 0.00 0.63 -4.76 105.19 114.47 2g0k n GLY 61 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 6.45 0.21 1.61 1.04 -1.26 -3.37 113.70 116.26 2g0k s SER 62 Ca 0.00 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.08 2g0k s SER 62 Cb 0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 2g0k s SER 62 CO 0.00 0.39 -0.22 0.00 0.98 0.00 0.00 173.24 174.39 2g0k s ALA 63 N -1.01 2.53 -0.06 5.32 0.00 -1.19 -1.80 121.76 125.56 2g0k s ALA 63 Ca 0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2g0k s ALA 63 Cb -0.13 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.73 2g0k s ALA 63 CO 0.05 0.36 0.01 -1.54 0.00 0.00 0.00 175.76 174.65 2g0k s SER 64 N -2.91 1.29 0.03 0.00 1.04 -1.26 -2.84 113.70 109.04 2g0k s SER 64 Ca 0.23 -0.04 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 2g0k s SER 64 Cb -0.07 -0.34 0.06 0.00 0.10 0.00 0.00 66.02 65.77 2g0k s SER 64 CO 0.11 -0.19 0.60 -0.89 0.98 0.00 0.00 173.24 173.86 2g0k s THR 65 N 1.82 0.01 -0.12 2.02 2.01 -1.14 -4.92 115.64 115.32 2g0k s THR 65 Ca 0.02 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2g0k s THR 65 Cb -0.12 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 65 CO -0.04 -0.05 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.26 2g0k s SER 66 N -1.76 3.95 0.16 3.53 0.01 -1.26 -2.19 113.70 116.14 2g0k s SER 66 Ca -0.07 -0.33 0.06 0.00 1.31 0.00 0.00 55.95 56.92 2g0k s SER 66 Cb -0.01 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 2g0k s SER 66 CO 0.01 0.18 0.08 -0.22 0.41 0.00 0.00 173.24 173.70 2g0k s LEU 67 N 0.28 3.61 -0.04 2.44 1.98 -0.90 -4.87 118.68 121.17 2g0k s LEU 67 Ca -0.10 -0.22 0.04 0.00 -2.89 0.00 0.00 54.13 50.95 2g0k s LEU 67 Cb -0.16 -2.24 -0.03 0.00 0.66 0.00 0.00 46.19 44.42 2g0k s LEU 67 CO 0.06 0.09 -0.13 0.28 -1.89 0.00 0.00 176.35 174.75 2g0k s THR 68 N -1.70 3.13 -0.15 3.68 -1.32 -1.26 -0.84 115.64 117.19 2g0k s THR 68 Ca 0.29 -0.73 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 2g0k s THR 68 Cb -0.10 -2.24 -0.02 0.00 -1.51 0.00 0.00 72.50 68.62 2g0k s THR 68 CO 0.21 0.57 -0.06 0.54 -2.21 0.00 0.00 174.62 173.67 2g0k s VAL 69 N -0.76 3.69 0.34 5.08 0.11 -1.23 -4.66 120.40 122.96 2g0k s VAL 69 Ca 0.12 -0.43 0.09 0.00 -2.93 0.00 0.00 61.98 58.83 2g0k s VAL 69 Cb -0.11 -2.61 -0.05 0.00 -1.53 0.00 0.00 36.38 32.09 2g0k s VAL 69 CO 0.01 0.50 0.07 -0.13 -3.33 0.00 0.00 175.10 172.22 2g0k s ARG 70 N 0.38 2.20 0.12 1.54 3.00 -1.26 -4.24 118.95 120.69 2g0k s ARG 70 Ca -0.06 -1.66 0.17 0.00 0.00 0.00 0.00 55.73 54.18 2g0k s ARG 70 Cb -0.15 -2.03 -0.08 0.00 0.00 0.00 0.00 34.95 32.69 2g0k s ARG 70 CO 0.04 0.13 0.97 0.07 0.00 0.00 0.00 175.30 176.51 2g0k h ARG 71 N 1.70 0.00 -1.89 3.54 0.11 -1.95 -3.40 114.38 112.49 2g0k h ARG 71 Ca -0.43 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.63 2g0k h ARG 71 Cb 1.25 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.13 2g0k h ARG 71 CO 0.65 0.30 0.26 -1.54 0.10 0.00 0.00 179.97 179.74 2g0k s SER 72 N -5.87 -0.61 -0.24 0.08 1.04 -1.25 0.12 113.70 106.97 2g0k s SER 72 Ca -0.01 0.80 -0.34 0.00 0.48 0.00 0.00 55.95 56.88 2g0k s SER 72 Cb 0.09 0.68 0.16 0.00 0.10 0.00 0.00 66.02 67.05 2g0k s SER 72 CO 0.80 -0.47 1.27 0.72 0.98 0.00 0.00 173.24 176.54 2g0k s PHE 73 N -0.80 -0.10 -0.04 5.02 -0.12 -0.62 -4.94 117.98 116.37 2g0k s PHE 73 Ca -0.06 0.11 -0.34 0.00 -0.05 0.00 0.00 56.93 56.59 2g0k s PHE 73 Cb -0.01 0.50 -0.12 0.00 -0.63 0.00 0.00 43.02 42.76 2g0k s PHE 73 CO 0.06 -0.13 1.87 -0.85 -0.05 0.00 0.00 175.22 176.11 2g0k n GLU 74 N 0.19 2.28 -2.65 1.99 0.00 -1.26 -0.29 120.64 120.90 2g0k n GLU 74 Ca 0.00 0.84 -0.42 0.00 0.00 0.00 0.00 57.16 57.58 2g0k n GLU 74 Cb 0.58 -2.69 -0.03 0.00 0.00 0.00 0.00 31.44 29.30 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 3.79 1.16 -0.70 -1.84 0.00 0.23 -3.96 107.32 105.99 2g0k s GLY 75 Ca 0.91 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 2g0k s GLY 75 CO 0.49 2.49 1.13 -1.36 0.00 0.00 0.00 173.10 175.84 2g0k s PHE 76 N 4.97 2.47 0.17 1.90 0.08 1.05 -1.27 117.98 127.34 2g0k s PHE 76 Ca 0.35 -0.30 -0.33 0.00 0.12 0.00 0.00 56.93 56.77 2g0k s PHE 76 Cb -0.08 -4.46 -0.13 0.00 -0.57 0.00 0.00 43.02 37.78 2g0k s PHE 76 CO 0.06 -1.87 1.67 -0.11 -0.10 0.00 0.00 175.22 174.87 2g0k n LEU 77 N 8.55 3.54 -0.34 -0.37 7.94 0.20 0.10 117.00 136.62 2g0k n LEU 77 Ca -0.00 1.06 0.29 0.00 -1.11 0.00 0.00 56.01 56.25 2g0k n LEU 77 Cb 0.47 -1.49 0.60 0.00 0.53 0.00 0.00 43.42 43.53 2g0k n LEU 77 CO 0.68 -0.06 1.25 2.19 -1.11 0.00 0.00 177.39 180.34 2g0k h PHE 78 N 6.57 0.45 0.00 1.96 -5.15 -1.86 1.54 116.94 120.45 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2g0k h PHE 78 Cb 1.23 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 37.27 2g0k h PHE 78 CO 0.65 0.01 0.09 0.22 -2.00 0.00 0.00 178.31 177.28 2g0k h ASP 79 N 0.24 0.00 0.00 -0.68 3.58 -1.91 -3.44 116.42 114.21 2g0k h ASP 79 Ca 0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.07 2g0k h ASP 79 Cb 1.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.94 2g0k h ASP 79 CO -0.23 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.74 2g0k n GLY 80 N -1.24 1.66 3.44 -0.78 0.00 0.52 -5.10 105.19 103.69 2g0k n GLY 80 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 2.56 -0.67 2.61 2.01 -1.01 -4.94 115.64 114.20 2g0k s THR 81 Ca 0.00 -1.67 -0.19 0.00 0.31 0.00 0.00 61.69 60.14 2g0k s THR 81 Cb 0.00 -2.17 0.12 0.00 0.01 0.00 0.00 72.50 70.46 2g0k s THR 81 CO 0.00 0.06 0.80 -0.13 -0.69 0.00 0.00 174.62 174.66 2g0k s ARG 82 N -2.19 3.19 0.04 4.92 0.52 -1.26 0.59 118.95 124.75 2g0k s ARG 82 Ca 0.17 -1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 53.65 2g0k s ARG 82 Cb -0.10 -4.37 -0.17 0.00 0.52 0.00 0.00 34.95 30.83 2g0k s ARG 82 CO 0.09 -1.58 1.39 2.35 0.02 0.00 0.00 175.30 177.57 2g0k h TRP 83 N 9.03 -0.57 0.00 -0.53 7.01 -1.55 -3.48 115.95 125.85 2g0k h TRP 83 Ca -0.19 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.80 2g0k h TRP 83 Cb 1.07 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.32 2g0k h TRP 83 CO 0.92 -0.27 0.00 0.41 -2.79 0.00 0.00 178.44 176.71 2g0k n GLY 84 N -0.81 1.06 3.62 2.65 0.00 -1.24 -4.96 105.19 105.51 2g0k n GLY 84 Ca -0.11 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2g0k n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 85 N -1.64 3.40 0.32 2.61 2.01 -1.26 0.76 115.64 121.84 2g0k s THR 85 Ca 0.00 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2g0k s THR 85 Cb 0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 2g0k s THR 85 CO 0.00 -0.22 0.64 -0.69 -0.69 0.00 0.00 174.62 173.67 2g0k s VAL 86 N 6.16 4.88 -0.50 3.82 1.01 0.60 -4.83 120.40 131.54 2g0k s VAL 86 Ca 0.82 0.45 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2g0k s VAL 86 Cb -0.29 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.54 2g0k s VAL 86 CO 0.33 -0.31 0.25 -1.81 0.00 0.00 0.00 175.10 173.57 2g0k s ASP 87 N -2.85 4.71 0.58 3.32 1.11 -1.26 -1.59 116.67 120.69 2g0k s ASP 87 Ca 0.48 -2.71 0.29 0.00 0.18 0.00 0.00 52.55 50.79 2g0k s ASP 87 Cb -0.11 -1.70 1.49 0.00 1.07 0.00 0.00 42.92 43.67 2g0k s ASP 87 CO 0.27 -0.32 1.93 0.00 1.18 0.00 0.00 175.17 178.22 2g0k n THR 89 N -3.83 0.00 -0.01 0.00 -2.24 -1.15 -3.15 114.28 103.90 2g0k n THR 89 Ca 0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2g0k n THR 89 Cb 0.65 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.01 0.13 -4.21 4.28 -1.04 0.50 -5.07 114.28 107.86 2g0k n THR 90 Ca 0.22 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 2g0k n THR 90 Cb 0.11 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.92 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 -1.99 0.20 -2.77 2.41 0.00 -0.36 -5.07 120.51 112.93 2g0k n ALA 91 Ca -0.03 -0.80 -0.36 0.00 0.00 0.00 0.00 53.44 52.25 2g0k n ALA 91 Cb 0.48 0.51 -0.10 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.39 3.46 0.12 0.00 0.00 -1.26 -4.63 121.76 117.06 2g0k s ALA 92 Ca 0.05 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2g0k s ALA 92 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2g0k s ALA 92 CO 0.04 -0.23 0.12 0.00 0.00 0.00 0.00 175.76 175.68 2g0k s GLN 94 N -2.76 0.34 0.19 0.00 -2.07 -1.08 0.76 119.66 115.04 2g0k s GLN 94 Ca 0.30 -0.14 0.06 0.00 -1.82 0.00 0.00 55.36 53.77 2g0k s GLN 94 Cb -0.11 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 2g0k s GLN 94 CO 0.23 -0.07 0.09 0.08 -1.32 0.00 0.00 175.29 174.30 2g0k s VAL 95 N -0.74 4.17 -0.07 3.63 1.01 -1.00 -1.04 120.40 126.37 2g0k s VAL 95 Ca -0.08 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.29 2g0k s VAL 95 Cb -0.05 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.30 2g0k s VAL 95 CO 0.01 -0.17 1.37 -0.83 0.00 0.00 0.00 175.10 175.48 2g0k s GLY 96 N -3.22 -0.34 0.01 4.51 0.00 -0.29 -3.40 107.32 104.59 2g0k s GLY 96 Ca 0.30 0.54 0.05 0.00 0.00 0.00 0.00 44.72 45.61 2g0k s GLY 96 CO 0.22 2.95 -0.16 0.48 0.00 0.00 0.00 173.10 176.59 2g0k s LEU 97 N -3.40 2.10 0.17 0.66 2.34 0.46 0.54 118.68 121.55 2g0k s LEU 97 Ca 0.22 -0.38 0.11 0.00 0.06 0.00 0.00 54.13 54.14 2g0k s LEU 97 Cb 0.04 -0.77 -0.04 0.00 -0.56 0.00 0.00 46.19 44.86 2g0k s LEU 97 CO -0.04 0.14 -0.22 -0.94 -1.06 0.00 0.00 176.35 174.22 2g0k s SER 98 N -0.74 3.57 0.00 1.48 1.04 9.09 -2.94 113.70 125.20 2g0k s SER 98 Ca 0.05 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2g0k s SER 98 Cb -0.07 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2g0k s SER 98 CO 0.00 0.14 0.00 -0.90 0.98 0.00 0.00 173.24 173.46 2g0k n ASP 99 N 0.47 1.41 -0.09 7.02 5.75 -0.93 0.85 116.55 131.02 2g0k n ASP 99 Ca -0.14 -0.56 -0.06 0.00 -0.01 0.00 0.00 54.79 54.02 2g0k n ASP 99 Cb 0.55 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.66 0.28 0.00 2.12 0.00 -1.92 -0.55 119.26 119.84 2g0k h ALA 100 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2g0k h ALA 100 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2g0k h ALA 100 CO 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 179.25 178.43 2g0k h ALA 101 N 1.30 0.87 -0.10 0.00 0.00 -1.95 -3.47 119.26 115.91 2g0k h ALA 101 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2g0k h ALA 101 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2g0k h ALA 101 CO -0.29 0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2g0k n GLY 102 N 0.61 0.73 3.65 0.00 0.00 -0.21 -5.13 105.19 104.85 2g0k n GLY 102 Ca 0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.57 4.15 -0.00 1.61 4.22 -1.26 -4.68 114.94 117.41 2g0k s ASN 103 Ca 0.00 -1.12 -0.04 0.00 -2.14 0.00 0.00 52.86 49.56 2g0k s ASN 103 Cb 0.00 -0.47 0.01 0.00 1.28 0.00 0.00 41.25 42.07 2g0k s ASN 103 CO 0.00 -0.38 0.16 0.61 -2.04 0.00 0.00 177.10 175.46 2g0k n GLY 104 N -1.03 0.65 3.79 0.45 0.00 -1.24 -2.19 105.19 105.61 2g0k n GLY 104 Ca -0.03 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 3.33 -0.34 1.61 0.04 -1.26 -4.26 135.00 132.12 2g0k s PRO 105 Ca 0.04 1.38 -0.35 0.00 0.04 0.00 0.00 61.00 62.11 2g0k s PRO 105 Cb -0.00 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 2g0k s PRO 105 CO -0.00 -0.83 1.18 0.39 0.04 0.00 0.00 177.00 177.78 2g0k n GLU 106 N -1.68 0.00 -1.04 4.56 1.02 -1.01 -4.57 120.64 117.91 2g0k n GLU 106 Ca 0.10 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 2g0k n GLU 106 Cb 0.52 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.78 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g0k n GLY 107 N 2.84 -1.80 3.15 0.62 0.00 -1.26 -4.82 105.19 103.90 2g0k n GLY 107 Ca 0.23 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.08 3.08 -0.04 1.61 1.01 -1.22 -5.08 120.40 118.68 2g0k s VAL 108 Ca 0.48 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 2g0k s VAL 108 Cb -0.59 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2g0k s VAL 108 CO 0.47 -0.37 0.76 0.00 0.00 0.00 0.00 175.10 175.96 2g0k s ALA 109 N 1.19 3.30 0.32 5.51 0.00 -1.26 -2.39 121.76 128.43 2g0k s ALA 109 Ca 0.01 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.27 2g0k s ALA 109 Cb -0.21 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2g0k s ALA 109 CO -0.03 -0.11 0.34 0.42 0.00 0.00 0.00 175.76 176.38 2g0k s ILE 110 N 0.75 3.95 -0.11 0.00 1.01 0.23 -4.94 121.20 122.08 2g0k s ILE 110 Ca 0.41 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 2g0k s ILE 110 Cb -0.19 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.01 2g0k s ILE 110 CO 0.21 -0.20 0.24 -0.55 0.00 0.00 0.00 174.94 174.63 2g0k s SER 111 N -4.03 0.35 -0.38 3.58 0.15 -0.96 -4.06 113.70 108.35 2g0k s SER 111 Ca 0.41 0.52 -0.21 0.00 0.70 0.00 0.00 55.95 57.37 2g0k s SER 111 Cb -0.07 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2g0k s SER 111 CO 0.28 -0.23 0.66 -0.36 1.20 0.00 0.00 173.24 174.79 2g0k s PHE 112 N 2.22 3.11 0.00 3.44 0.40 -1.26 -3.46 117.98 122.43 2g0k s PHE 112 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 2g0k s PHE 112 Cb -0.12 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.15 2g0k s PHE 112 CO -0.08 -0.73 0.00 0.27 0.70 0.00 0.00 175.22 175.39