#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 3.51 1.15 0.00 0.00 -1.26 -4.69 121.76 120.46 2g0k s ALA 2 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 2g0k s ALA 2 Cb 0.00 -2.53 0.23 0.00 0.00 0.00 0.00 23.12 20.82 2g0k s ALA 2 CO 0.00 -0.69 0.92 -0.35 0.00 0.00 0.00 175.76 175.63 2g0k n PRO 3 N 5.07 -2.29 -3.39 0.00 -0.04 -1.26 -4.14 135.00 128.95 2g0k n PRO 3 Ca -0.14 -1.45 -0.43 0.00 -0.04 0.00 0.00 63.50 61.44 2g0k n PRO 3 Cb 0.51 -1.25 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.76 5.17 0.06 0.52 2.01 0.77 0.13 115.64 121.55 2g0k s THR 4 Ca 0.57 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2g0k s THR 4 Cb -0.05 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2g0k s THR 4 CO 0.43 -0.39 -0.18 0.00 -0.69 0.00 0.00 174.62 173.79 2g0k s ALA 5 N 1.90 1.55 -0.22 7.40 0.00 -1.24 0.80 121.76 131.95 2g0k s ALA 5 Ca 0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2g0k s ALA 5 Cb -0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2g0k s ALA 5 CO 0.11 0.32 -0.01 0.95 0.00 0.00 0.00 175.76 177.13 2g0k s THR 6 N -0.93 3.65 0.01 0.00 -4.23 0.82 -4.84 115.64 110.13 2g0k s THR 6 Ca 0.05 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 2g0k s THR 6 Cb -0.09 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2g0k s THR 6 CO 0.02 0.41 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.69 2g0k s VAL 7 N 1.40 3.15 0.94 2.29 1.01 -1.22 -0.64 120.40 127.33 2g0k s VAL 7 Ca 0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2g0k s VAL 7 Cb -0.14 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.07 2g0k s VAL 7 CO -0.01 0.42 1.09 0.28 0.00 0.00 0.00 175.10 176.88 2g0k s THR 8 N -0.91 2.46 -0.20 3.92 -1.32 -0.32 -4.90 115.64 114.38 2g0k s THR 8 Ca 0.15 0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 60.49 2g0k s THR 8 Cb -0.11 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 2g0k s THR 8 CO 0.05 -0.20 1.44 -2.16 -2.21 0.00 0.00 174.62 171.55 2g0k s PRO 9 N -4.89 4.01 -0.01 7.08 0.04 -1.26 -4.69 135.00 135.27 2g0k s PRO 9 Ca 0.64 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2g0k s PRO 9 Cb -0.19 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.47 2g0k s PRO 9 CO 0.58 -1.02 0.82 0.45 0.04 0.00 0.00 177.00 177.88 2g0k n SER 10 N 7.52 1.10 -4.50 6.66 2.88 -1.26 -4.95 113.62 121.07 2g0k n SER 10 Ca 0.16 -1.72 -0.43 0.00 -1.33 0.00 0.00 58.87 55.55 2g0k n SER 10 Cb 0.45 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 2g0k n SER 10 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2g0k s SER 11 N -0.80 6.29 0.00 -3.46 0.01 -1.24 -3.78 113.70 110.73 2g0k s SER 11 Ca 0.03 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2g0k s SER 11 Cb 0.03 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2g0k s SER 11 CO 0.00 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.44 2g0k n GLY 12 N 5.08 1.26 3.57 3.44 0.00 -1.10 -4.56 105.19 112.88 2g0k n GLY 12 Ca -0.03 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 3.37 0.67 0.99 1.43 -1.25 -4.61 118.68 119.29 2g0k s LEU 13 Ca 0.00 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 2g0k s LEU 13 Cb 0.00 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2g0k s LEU 13 CO 0.00 0.25 1.14 -0.55 0.23 0.00 0.00 176.35 177.42 2g0k s SER 14 N -0.11 4.85 0.48 2.29 0.15 -1.26 -4.87 113.70 115.23 2g0k s SER 14 Ca 0.03 2.13 -0.20 0.00 0.70 0.00 0.00 55.95 58.60 2g0k s SER 14 Cb -0.13 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.50 2g0k s SER 14 CO 0.02 -1.81 0.43 -0.90 1.20 0.00 0.00 173.24 172.18 2g0k n ASP 15 N -2.44 -1.37 0.00 5.45 5.75 -1.26 -2.45 116.55 120.23 2g0k n ASP 15 Ca 0.11 0.82 0.00 0.00 -0.01 0.00 0.00 54.79 55.71 2g0k n ASP 15 Cb 0.51 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g0k n GLY 16 N 1.90 2.95 3.76 6.12 0.00 -1.25 -5.06 105.19 113.61 2g0k n GLY 16 Ca 0.11 0.00 -0.39 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 -2.78 2.21 -0.11 2.61 2.01 -1.02 -4.95 115.64 113.61 2g0k s THR 17 Ca 0.00 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2g0k s THR 17 Cb 0.00 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2g0k s THR 17 CO 0.00 0.01 -0.06 0.54 -0.69 0.00 0.00 174.62 174.41 2g0k s VAL 18 N -1.30 3.71 0.13 3.82 0.11 -1.26 -3.29 120.40 122.31 2g0k s VAL 18 Ca 0.67 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 2g0k s VAL 18 Cb -0.40 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2g0k s VAL 18 CO 0.48 0.55 0.07 -0.69 -3.33 0.00 0.00 175.10 172.19 2g0k s VAL 19 N -0.20 4.29 -0.26 2.04 1.01 -0.37 -4.96 120.40 121.95 2g0k s VAL 19 Ca 0.03 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2g0k s VAL 19 Cb -0.13 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.19 2g0k s VAL 19 CO 0.03 -0.01 -0.11 -0.75 0.00 0.00 0.00 175.10 174.26 2g0k s LYS 20 N -2.75 2.22 -0.26 2.72 2.36 -1.26 -0.89 119.74 121.89 2g0k s LYS 20 Ca 0.29 -1.36 -0.09 0.00 -2.55 0.00 0.00 55.97 52.26 2g0k s LYS 20 Cb -0.11 -2.89 -0.04 0.00 -1.05 0.00 0.00 37.83 33.74 2g0k s LYS 20 CO 0.21 -0.58 0.12 0.08 1.55 0.00 0.00 175.35 176.74 2g0k s VAL 21 N 1.10 4.80 -0.15 4.02 1.01 -0.81 -1.17 120.40 129.20 2g0k s VAL 21 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2g0k s VAL 21 Cb -0.20 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.96 2g0k s VAL 21 CO -0.05 0.31 -0.07 0.00 0.00 0.00 0.00 175.10 175.29 2g0k s ALA 22 N 1.54 1.51 0.30 5.51 0.00 0.19 -2.66 121.76 128.15 2g0k s ALA 22 Ca 0.06 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2g0k s ALA 22 Cb -0.15 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 2g0k s ALA 22 CO 0.06 -0.64 0.78 0.20 0.00 0.00 0.00 175.76 176.16 2g0k s GLY 23 N 1.62 2.49 -0.20 0.00 0.00 -1.20 0.29 107.32 110.32 2g0k s GLY 23 Ca 0.02 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2g0k s GLY 23 CO -0.08 0.47 0.25 0.00 0.00 0.00 0.00 173.10 173.74 2g0k s ALA 24 N -1.80 -0.45 0.00 3.20 0.00 4.30 -3.59 121.76 123.42 2g0k s ALA 24 Ca 0.50 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2g0k s ALA 24 Cb -0.13 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2g0k s ALA 24 CO 0.19 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2g0k n GLY 25 N 5.33 0.96 3.96 0.00 0.00 -1.24 -0.16 105.19 114.05 2g0k n GLY 25 Ca -0.05 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.09 0.99 1.02 -1.23 -4.66 118.68 117.69 2g0k s LEU 26 Ca 0.00 0.03 -0.35 0.00 0.02 0.00 0.00 54.13 53.82 2g0k s LEU 26 Cb 0.00 -2.58 -0.13 0.00 0.02 0.00 0.00 46.19 43.51 2g0k s LEU 26 CO 0.00 -1.68 1.81 0.00 0.02 0.00 0.00 176.35 176.51 2g0k n GLN 27 N -2.82 1.97 -2.33 1.70 6.02 -1.26 -4.75 117.38 115.91 2g0k n GLN 27 Ca 0.11 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.40 2g0k n GLN 27 Cb 0.60 -2.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.31 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 3.57 3.47 0.00 -1.58 0.00 -1.26 -2.19 121.76 123.77 2g0k s ALA 28 Ca 0.92 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2g0k s ALA 28 Cb -0.77 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2g0k s ALA 28 CO 0.53 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2g0k n GLY 29 N 3.34 0.45 3.85 0.00 0.00 -1.14 -4.98 105.19 106.71 2g0k n GLY 29 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 5.09 0.30 2.61 2.01 -0.93 -4.85 115.64 117.86 2g0k s THR 30 Ca 0.00 0.66 -0.12 0.00 0.31 0.00 0.00 61.69 62.54 2g0k s THR 30 Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 2g0k s THR 30 CO 0.00 0.49 0.67 0.00 -0.69 0.00 0.00 174.62 175.08 2g0k s ALA 31 N -1.18 3.42 0.01 7.40 0.00 -1.26 -2.67 121.76 127.48 2g0k s ALA 31 Ca 0.26 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2g0k s ALA 31 Cb -0.15 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2g0k s ALA 31 CO 0.14 0.35 -0.06 0.71 0.00 0.00 0.00 175.76 176.90 2g0k s TYR 32 N -1.98 0.51 -0.31 0.00 2.02 -1.07 -3.54 117.35 112.98 2g0k s TYR 32 Ca 0.51 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.90 2g0k s TYR 32 Cb -0.11 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2g0k s TYR 32 CO 0.21 -0.03 0.13 -0.51 -1.57 0.00 0.00 175.55 173.78 2g0k s ASP 33 N -0.60 5.43 -0.09 2.29 1.11 16.63 -3.53 116.67 137.91 2g0k s ASP 33 Ca -0.02 -0.64 -0.06 0.00 0.18 0.00 0.00 52.55 52.01 2g0k s ASP 33 Cb -0.05 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.94 2g0k s ASP 33 CO -0.00 -0.22 0.15 -0.69 1.18 0.00 0.00 175.17 175.60 2g0k s VAL 34 N 1.57 5.48 0.02 -1.27 1.01 -0.86 2.26 120.40 128.60 2g0k s VAL 34 Ca 0.04 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 2g0k s VAL 34 Cb -0.17 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2g0k s VAL 34 CO 0.05 0.53 0.92 -0.83 0.00 0.00 0.00 175.10 175.77 2g0k s GLY 35 N -1.31 -0.42 -0.30 4.51 0.00 7.36 -1.28 107.32 115.88 2g0k s GLY 35 Ca 0.19 0.87 -0.16 0.00 0.00 0.00 0.00 44.72 45.61 2g0k s GLY 35 CO 0.08 0.28 0.44 1.62 0.00 0.00 0.00 173.10 175.52 2g0k s GLN 36 N -3.11 3.86 0.22 2.90 0.74 -1.25 -0.40 119.66 122.62 2g0k s GLN 36 Ca 0.07 -0.02 0.07 0.00 0.05 0.00 0.00 55.36 55.52 2g0k s GLN 36 Cb -0.01 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 2g0k s GLN 36 CO -0.07 -0.43 0.13 0.00 -0.55 0.00 0.00 175.29 174.38 2g0k s ALA 38 N -2.02 -0.63 0.03 0.00 0.00 0.07 -2.58 121.76 116.62 2g0k s ALA 38 Ca 0.32 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 2g0k s ALA 38 Cb -0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2g0k s ALA 38 CO 0.23 -0.17 1.50 -0.46 0.00 0.00 0.00 175.76 176.86 2g0k s TRP 39 N 0.76 2.70 -0.06 0.00 -0.00 -1.24 -1.58 118.94 119.52 2g0k s TRP 39 Ca -0.05 0.63 0.02 0.00 -0.00 0.00 0.00 56.10 56.71 2g0k s TRP 39 Cb -0.06 -3.78 -0.05 0.00 -0.00 0.00 0.00 33.47 29.57 2g0k s TRP 39 CO -0.05 -2.99 -0.03 1.33 -0.00 0.00 0.00 176.95 175.22 2g0k n VAL 40 N 4.66 0.39 -4.04 5.86 0.24 -0.63 -4.86 118.33 119.95 2g0k n VAL 40 Ca 0.14 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 2g0k n VAL 40 Cb 0.42 -0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 2g0k n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2g0k n ASP 41 N -2.51 -1.54 -4.60 -1.34 9.92 -0.60 -5.01 116.55 110.88 2g0k n ASP 41 Ca -0.11 -2.92 -0.43 0.00 -0.53 0.00 0.00 54.79 50.80 2g0k n ASP 41 Cb 0.65 2.81 -0.03 0.00 -0.64 0.00 0.00 41.12 43.91 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g0k s THR 42 N -2.73 3.25 0.00 -3.53 2.01 -1.26 -1.25 115.64 112.13 2g0k s THR 42 Ca 0.28 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2g0k s THR 42 Cb -0.02 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2g0k s THR 42 CO 0.20 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2g0k n GLY 43 N 5.54 0.27 3.21 4.40 0.00 -1.26 -4.96 105.19 112.40 2g0k n GLY 43 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.60 3.70 0.19 1.61 1.01 -0.38 -5.09 120.40 119.84 2g0k s VAL 44 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 60.51 2g0k s VAL 44 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2g0k s VAL 44 CO 0.00 -0.44 0.15 -0.76 0.00 0.00 0.00 175.10 174.06 2g0k s LEU 45 N 1.32 3.80 -0.04 3.92 1.43 -1.26 -1.56 118.68 126.28 2g0k s LEU 45 Ca 0.02 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2g0k s LEU 45 Cb -0.22 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2g0k s LEU 45 CO -0.00 0.03 -0.03 0.00 0.23 0.00 0.00 176.35 176.58 2g0k s ALA 46 N -1.88 0.60 0.19 4.21 0.00 -0.61 -3.05 121.76 121.22 2g0k s ALA 46 Ca 0.31 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.32 2g0k s ALA 46 Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2g0k s ALA 46 CO 0.24 -0.04 0.10 0.00 0.00 0.00 0.00 175.76 176.06 2g0k s ASN 48 N -3.22 3.67 0.00 0.00 4.22 -0.97 0.44 114.94 119.09 2g0k s ASN 48 Ca 0.30 -0.51 0.16 0.00 -2.14 0.00 0.00 52.86 50.67 2g0k s ASN 48 Cb -0.09 -1.59 0.95 0.00 1.28 0.00 0.00 41.25 41.80 2g0k s ASN 48 CO 0.22 0.02 1.38 -0.81 -2.04 0.00 0.00 177.10 175.87 2g0k n PRO 49 N 4.49 0.62 0.14 3.55 -0.04 -1.26 -2.27 135.00 140.24 2g0k n PRO 49 Ca -0.19 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2g0k n PRO 49 Cb 0.51 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 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 3.04 0.71 0.00 0.55 0.00 -1.94 -3.33 119.26 118.29 2g0k h ALA 50 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 50 Cb 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 2g0k h ALA 50 CO 0.00 0.13 -0.67 -0.25 0.00 0.00 0.00 179.25 178.46 2g0k n ASP 51 N -2.89 1.40 -4.58 0.00 8.00 -0.96 -5.03 116.55 112.49 2g0k n ASP 51 Ca 0.01 -3.04 -0.40 0.00 0.71 0.00 0.00 54.79 52.06 2g0k n ASP 51 Cb 0.58 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.84 3.22 0.39 1.24 -0.12 -1.19 -3.91 117.98 115.75 2g0k s PHE 52 Ca 0.34 0.28 0.03 0.00 -0.05 0.00 0.00 56.93 57.53 2g0k s PHE 52 Cb 0.35 -2.76 0.03 0.00 -0.63 0.00 0.00 43.02 40.02 2g0k s PHE 52 CO -0.10 -0.40 0.28 0.45 -0.05 0.00 0.00 175.22 175.41 2g0k n SER 53 N 5.54 2.25 -3.88 1.98 2.88 -0.41 -4.98 113.62 117.01 2g0k n SER 53 Ca -0.06 -2.34 -0.10 0.00 -1.33 0.00 0.00 58.87 55.03 2g0k n SER 53 Cb 0.50 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 2g0k n SER 53 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 54 N -3.27 0.08 -0.08 -3.46 1.04 -1.26 -2.98 113.70 103.77 2g0k s SER 54 Ca 0.22 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.97 2g0k s SER 54 Cb -0.02 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.46 2g0k s SER 54 CO 0.14 -0.50 0.89 0.54 0.98 0.00 0.00 173.24 175.29 2g0k s VAL 55 N -2.33 0.00 -0.06 5.02 0.11 -1.23 -4.97 120.40 116.94 2g0k s VAL 55 Ca -0.07 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 55 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2g0k s VAL 55 CO -0.03 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -1.89 1.37 0.55 5.04 2.01 -1.26 -2.61 115.64 118.84 2g0k s THR 56 Ca -0.01 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 2g0k s THR 56 Cb -0.01 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2g0k s THR 56 CO -0.01 0.40 1.15 0.00 -0.69 0.00 0.00 174.62 175.47 2g0k s ALA 57 N 0.30 2.68 0.55 7.40 0.00 -1.09 -4.72 121.76 126.87 2g0k s ALA 57 Ca -0.09 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2g0k s ALA 57 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2g0k s ALA 57 CO 0.03 -0.86 0.00 -0.40 0.00 0.00 0.00 175.76 174.53 2g0k n ASP 58 N -1.32 0.00 0.23 0.00 5.68 -0.55 -3.54 116.55 117.05 2g0k n ASP 58 Ca 0.12 -0.84 0.07 0.00 -0.50 0.00 0.00 54.79 53.64 2g0k n ASP 58 Cb 0.50 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.03 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 -0.99 1.45 0.00 2.12 0.00 -1.95 -0.49 119.26 119.40 2g0k h ALA 59 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 59 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 59 CO 0.00 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.60 2g0k n ASN 60 N -3.99 0.00 -0.43 0.00 4.13 -1.26 -4.84 115.26 108.87 2g0k n ASN 60 Ca -0.02 0.41 -0.03 0.00 1.68 0.00 0.00 54.58 56.62 2g0k n ASN 60 Cb 0.29 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 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 0.76 0.32 3.15 7.41 0.00 -0.20 -4.83 105.19 111.79 2g0k n GLY 61 Ca 0.06 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.89 1.87 0.22 1.61 1.04 -1.26 -3.56 113.70 110.73 2g0k s SER 62 Ca 0.01 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2g0k s SER 62 Cb -0.01 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 2g0k s SER 62 CO 0.02 0.17 -0.02 0.00 0.98 0.00 0.00 173.24 174.38 2g0k s ALA 63 N -0.47 1.76 -0.05 5.32 0.00 -1.24 -1.48 121.76 125.60 2g0k s ALA 63 Ca 0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 2g0k s ALA 63 Cb -0.07 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2g0k s ALA 63 CO -0.00 -0.22 0.12 -1.54 0.00 0.00 0.00 175.76 174.12 2g0k s SER 64 N -3.29 -0.12 0.15 0.00 1.04 -1.26 -3.21 113.70 107.01 2g0k s SER 64 Ca 0.27 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.69 2g0k s SER 64 Cb 0.05 0.24 0.07 0.00 0.10 0.00 0.00 66.02 66.48 2g0k s SER 64 CO 0.07 -0.05 1.00 -0.89 0.98 0.00 0.00 173.24 174.36 2g0k s THR 65 N 0.11 0.00 -0.09 2.02 2.01 -1.09 -4.89 115.64 113.71 2g0k s THR 65 Ca -0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2g0k s THR 65 Cb -0.01 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2g0k s THR 65 CO -0.00 0.00 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.32 2g0k s SER 66 N -3.05 2.38 -0.22 3.53 0.01 -1.26 -1.92 113.70 113.17 2g0k s SER 66 Ca 0.15 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2g0k s SER 66 Cb -0.01 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.12 2g0k s SER 66 CO 0.03 0.07 -0.05 -0.22 0.41 0.00 0.00 173.24 173.48 2g0k s LEU 67 N 0.62 2.89 0.27 2.44 1.98 -0.07 -4.84 118.68 121.97 2g0k s LEU 67 Ca -0.14 -0.45 -0.29 0.00 -2.89 0.00 0.00 54.13 50.36 2g0k s LEU 67 Cb -0.16 -1.72 -0.09 0.00 0.66 0.00 0.00 46.19 44.87 2g0k s LEU 67 CO 0.04 -0.03 0.95 0.28 -1.89 0.00 0.00 176.35 175.71 2g0k s THR 68 N 1.46 4.07 -0.12 3.68 -1.32 -1.26 -1.24 115.64 120.91 2g0k s THR 68 Ca 0.05 1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 62.49 2g0k s THR 68 Cb -0.14 -4.20 -0.02 0.00 -1.51 0.00 0.00 72.50 66.63 2g0k s THR 68 CO -0.04 0.37 -0.09 0.54 -2.21 0.00 0.00 174.62 173.19 2g0k s VAL 69 N -1.32 3.41 0.21 5.08 0.11 -1.21 -4.79 120.40 121.89 2g0k s VAL 69 Ca 0.44 -0.55 0.11 0.00 -2.93 0.00 0.00 61.98 59.05 2g0k s VAL 69 Cb -0.24 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2g0k s VAL 69 CO 0.30 0.54 -0.21 -0.13 -3.33 0.00 0.00 175.10 172.27 2g0k s ARG 70 N 0.03 1.64 0.16 1.54 3.00 -1.26 -3.81 118.95 120.26 2g0k s ARG 70 Ca -0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 55.73 54.15 2g0k s ARG 70 Cb -0.14 -1.88 0.01 0.00 0.00 0.00 0.00 34.95 32.94 2g0k s ARG 70 CO 0.04 0.39 1.39 0.07 0.00 0.00 0.00 175.30 177.18 2g0k h ARG 71 N 2.92 0.35 -2.87 3.54 0.11 -1.94 -3.43 114.38 113.06 2g0k h ARG 71 Ca -0.45 -0.33 -0.11 0.00 0.10 0.00 0.00 59.98 59.20 2g0k h ARG 71 Cb 1.22 0.08 -0.20 0.00 1.11 0.00 0.00 29.97 32.18 2g0k h ARG 71 CO 0.52 0.99 -0.21 -1.12 0.10 0.00 0.00 179.97 180.25 2g0k s SER 72 N -6.99 -0.27 -0.17 0.08 0.01 -1.26 0.08 113.70 105.18 2g0k s SER 72 Ca -0.05 0.22 -0.35 0.00 1.31 0.00 0.00 55.95 57.09 2g0k s SER 72 Cb 0.10 0.38 0.14 0.00 0.21 0.00 0.00 66.02 66.85 2g0k s SER 72 CO 0.84 -0.45 1.31 0.72 0.41 0.00 0.00 173.24 176.07 2g0k s PHE 73 N -1.21 -0.06 0.11 2.43 -0.12 -0.78 -4.94 117.98 113.42 2g0k s PHE 73 Ca -0.12 0.02 -0.31 0.00 -0.05 0.00 0.00 56.93 56.46 2g0k s PHE 73 Cb -0.04 0.52 -0.10 0.00 -0.63 0.00 0.00 43.02 42.76 2g0k s PHE 73 CO 0.05 -0.14 1.80 -1.83 -0.05 0.00 0.00 175.22 175.05 2g0k s GLU 74 N -2.26 4.15 -0.77 1.99 1.03 -1.26 -0.47 118.70 121.11 2g0k s GLU 74 Ca 0.12 2.55 -0.20 0.00 0.03 0.00 0.00 54.97 57.46 2g0k s GLU 74 Cb 0.02 -3.60 0.10 0.00 -0.80 0.00 0.00 34.13 29.84 2g0k s GLU 74 CO -0.04 -0.83 0.99 0.20 -1.33 0.00 0.00 175.26 174.25 2g0k s GLY 75 N 2.69 1.69 -0.61 -3.83 0.00 0.14 -3.42 107.32 103.98 2g0k s GLY 75 Ca 0.80 -2.32 -0.25 0.00 0.00 0.00 0.00 44.72 42.94 2g0k s GLY 75 CO 0.36 1.95 1.05 -1.36 0.00 0.00 0.00 173.10 175.10 2g0k s PHE 76 N 3.19 2.65 0.24 1.90 0.08 1.54 -1.02 117.98 126.55 2g0k s PHE 76 Ca 0.25 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.94 2g0k s PHE 76 Cb -0.13 -4.29 -0.14 0.00 -0.57 0.00 0.00 43.02 37.89 2g0k s PHE 76 CO 0.01 -1.58 1.36 -0.11 -0.10 0.00 0.00 175.22 174.81 2g0k n LEU 77 N 8.01 2.90 -0.35 -0.37 7.94 -0.46 0.23 117.00 134.91 2g0k n LEU 77 Ca 0.02 1.15 0.25 0.00 -1.11 0.00 0.00 56.01 56.31 2g0k n LEU 77 Cb 0.48 -1.40 0.50 0.00 0.53 0.00 0.00 43.42 43.52 2g0k n LEU 77 CO 0.66 -0.61 1.16 -0.26 -1.11 0.00 0.00 177.39 177.24 2g0k h PHE 78 N 4.00 0.83 0.00 1.96 0.04 -1.89 2.16 116.94 124.04 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.29 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2g0k h PHE 78 CO 0.56 -0.10 0.12 0.22 -0.60 0.00 0.00 178.31 178.50 2g0k h ASP 79 N 0.34 0.00 0.00 2.17 3.58 -1.91 -3.44 116.42 117.16 2g0k h ASP 79 Ca 0.71 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.16 2g0k h ASP 79 Cb 1.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.77 2g0k h ASP 79 CO -0.50 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.47 2g0k n GLY 80 N -1.23 1.58 3.20 -0.78 0.00 0.73 -5.08 105.19 103.61 2g0k n GLY 80 Ca -0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 3.02 -0.60 2.61 2.01 -1.08 -4.91 115.64 114.69 2g0k s THR 81 Ca 0.00 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 60.55 2g0k s THR 81 Cb 0.00 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 2g0k s THR 81 CO 0.00 0.03 2.39 0.00 -0.69 0.00 0.00 174.62 176.35 2g0k s ARG 82 N 1.30 1.94 0.05 4.92 1.70 -1.26 -1.35 118.95 126.26 2g0k s ARG 82 Ca -0.02 1.04 -0.27 0.00 -0.47 0.00 0.00 55.73 56.00 2g0k s ARG 82 Cb -0.18 -4.66 -0.17 0.00 -0.57 0.00 0.00 34.95 29.37 2g0k s ARG 82 CO -0.02 -3.68 1.53 2.35 -1.08 0.00 0.00 175.30 174.41 2g0k h TRP 83 N 16.99 -0.41 0.00 5.89 -0.00 -1.43 -3.48 115.95 133.51 2g0k h TRP 83 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 2g0k h TRP 83 Cb 1.17 0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.46 2g0k h TRP 83 CO 1.04 -0.18 0.00 0.41 -0.00 0.00 0.00 178.44 179.71 2g0k n GLY 84 N -0.95 0.35 3.70 2.65 0.00 -1.23 -4.96 105.19 104.76 2g0k n GLY 84 Ca -0.10 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.46 2.16 -4.26 2.61 -1.04 -1.26 0.26 114.28 111.29 2g0k n THR 85 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 2g0k n THR 85 Cb 0.00 -1.59 -0.12 0.00 -1.82 0.00 0.00 70.33 66.81 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 -1.13 1.48 -0.54 12.58 1.01 0.38 -4.76 120.40 129.42 2g0k s VAL 86 Ca 0.57 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2g0k s VAL 86 Cb -0.55 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.47 2g0k s VAL 86 CO 0.61 -0.27 0.30 -1.81 0.00 0.00 0.00 175.10 173.93 2g0k s ASP 87 N -2.21 4.54 0.59 3.32 1.11 -1.26 -1.86 116.67 120.90 2g0k s ASP 87 Ca 0.07 -2.96 0.29 0.00 0.18 0.00 0.00 52.55 50.13 2g0k s ASP 87 Cb -0.07 -1.69 1.55 0.00 1.07 0.00 0.00 42.92 43.78 2g0k s ASP 87 CO 0.04 -0.27 1.98 0.00 1.18 0.00 0.00 175.17 178.10 2g0k n THR 89 N -3.72 0.02 -0.02 0.00 -2.24 -1.18 -2.93 114.28 104.21 2g0k n THR 89 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2g0k n THR 89 Cb 0.52 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.03 0.28 -3.42 4.28 -1.04 0.38 -4.98 114.28 108.75 2g0k n THR 90 Ca 0.19 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2g0k n THR 90 Cb 0.11 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.07 0.00 -2.67 2.41 0.00 -0.82 -5.09 120.51 112.27 2g0k n ALA 91 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 2g0k n ALA 91 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.00 3.60 0.12 0.00 0.00 -1.26 -4.69 121.76 117.53 2g0k s ALA 92 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2g0k s ALA 92 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2g0k s ALA 92 CO 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 175.76 175.72 2g0k s GLN 94 N -2.79 0.98 0.34 0.00 -2.07 -1.07 0.28 119.66 115.34 2g0k s GLN 94 Ca 0.31 0.41 0.07 0.00 -1.82 0.00 0.00 55.36 54.34 2g0k s GLN 94 Cb -0.11 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2g0k s GLN 94 CO 0.24 -0.27 0.31 0.08 -1.32 0.00 0.00 175.29 174.34 2g0k s VAL 95 N -0.81 3.54 -0.13 3.63 1.01 -1.03 -0.48 120.40 126.14 2g0k s VAL 95 Ca -0.08 -1.33 -0.34 0.00 0.00 0.00 0.00 61.98 60.23 2g0k s VAL 95 Cb -0.01 -3.20 0.14 0.00 0.00 0.00 0.00 36.38 33.30 2g0k s VAL 95 CO 0.08 -0.16 1.28 -0.83 0.00 0.00 0.00 175.10 175.46 2g0k s GLY 96 N -4.02 -0.35 -0.05 4.51 0.00 0.47 -3.27 107.32 104.62 2g0k s GLY 96 Ca 0.42 1.24 0.03 0.00 0.00 0.00 0.00 44.72 46.40 2g0k s GLY 96 CO 0.27 0.36 -0.12 0.48 0.00 0.00 0.00 173.10 174.09 2g0k s LEU 97 N -2.53 1.73 0.11 0.66 2.34 0.54 1.05 118.68 122.57 2g0k s LEU 97 Ca 0.12 -0.26 0.07 0.00 0.06 0.00 0.00 54.13 54.11 2g0k s LEU 97 Cb 0.02 -0.74 -0.04 0.00 -0.56 0.00 0.00 46.19 44.87 2g0k s LEU 97 CO -0.04 0.07 -0.08 -0.44 -1.06 0.00 0.00 176.35 174.80 2g0k s SER 98 N 0.38 4.53 0.00 1.48 0.01 41.16 -2.13 113.70 159.12 2g0k s SER 98 Ca -0.08 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2g0k s SER 98 Cb -0.12 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2g0k s SER 98 CO 0.02 0.17 0.00 -0.90 0.41 0.00 0.00 173.24 172.94 2g0k n ASP 99 N 0.61 0.99 -0.02 2.44 5.75 -0.94 1.53 116.55 126.91 2g0k n ASP 99 Ca -0.13 -0.13 -0.12 0.00 -0.01 0.00 0.00 54.79 54.40 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 0.09 0.11 0.00 2.12 0.00 -1.92 -2.72 119.26 116.94 2g0k h ALA 100 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2g0k h ALA 100 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 179.25 178.85 2g0k h ALA 101 N 0.74 1.10 -0.59 0.00 0.00 -1.96 -3.47 119.26 115.08 2g0k h ALA 101 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2g0k h ALA 101 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2g0k h ALA 101 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2g0k n GLY 102 N -0.15 0.59 3.40 0.00 0.00 -1.03 -5.13 105.19 102.88 2g0k n GLY 102 Ca -0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.71 1.92 0.11 1.61 6.03 -1.26 -4.80 114.94 116.85 2g0k s ASN 103 Ca 0.00 -1.45 -0.25 0.00 -1.03 0.00 0.00 52.86 50.13 2g0k s ASN 103 Cb 0.00 0.16 0.08 0.00 -3.03 0.00 0.00 41.25 38.46 2g0k s ASN 103 CO 0.00 -0.74 1.10 -0.83 -2.03 0.00 0.00 177.10 174.60 2g0k s GLY 104 N -3.43 -0.10 0.95 0.45 0.00 -1.25 -2.21 107.32 101.73 2g0k s GLY 104 Ca 0.35 0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.95 2g0k s GLY 104 CO 0.15 1.88 1.11 2.56 0.00 0.00 0.00 173.10 178.81 2g0k s PRO 105 N -2.46 0.80 -0.18 2.90 0.04 -1.26 -4.03 135.00 130.80 2g0k s PRO 105 Ca 0.19 0.42 -0.40 0.00 0.04 0.00 0.00 61.00 61.25 2g0k s PRO 105 Cb -0.01 -1.79 -0.18 0.00 0.04 0.00 0.00 34.50 32.56 2g0k s PRO 105 CO 0.02 -2.46 1.18 -0.85 0.04 0.00 0.00 177.00 174.94 2g0k n GLU 106 N -3.97 0.00 -0.94 4.56 0.28 0.35 -4.38 120.64 116.54 2g0k n GLU 106 Ca 0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.72 2g0k n GLU 106 Cb 0.58 -1.39 0.04 0.00 1.43 0.00 0.00 31.44 32.10 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 2.29 -4.36 2.96 -1.84 0.00 -1.26 -4.72 105.19 98.26 2g0k n GLY 107 Ca 0.22 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.88 1.89 0.03 1.61 1.01 -1.20 -5.00 120.40 116.85 2g0k s VAL 108 Ca 0.38 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.20 2g0k s VAL 108 Cb -0.16 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2g0k s VAL 108 CO 0.78 -0.47 0.71 0.00 0.00 0.00 0.00 175.10 176.12 2g0k s ALA 109 N 1.13 3.40 0.13 5.51 0.00 -1.26 -2.45 121.76 128.22 2g0k s ALA 109 Ca 0.06 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2g0k s ALA 109 Cb -0.19 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 2g0k s ALA 109 CO -0.11 0.09 0.11 0.44 0.00 0.00 0.00 175.76 176.30 2g0k n ILE 110 N 2.81 0.00 -3.95 0.00 -5.35 0.14 -4.94 119.36 108.08 2g0k n ILE 110 Ca -0.04 -0.92 0.02 0.00 -0.27 0.00 0.00 62.75 61.55 2g0k n ILE 110 Cb 0.50 0.46 0.01 0.00 -1.74 0.00 0.00 39.64 38.88 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2g0k s SER 111 N -1.89 -0.00 -0.18 7.28 0.15 -1.20 -3.27 113.70 114.59 2g0k s SER 111 Ca 0.15 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 2g0k s SER 111 Cb 0.01 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2g0k s SER 111 CO 0.11 -0.30 -0.02 -0.36 1.20 0.00 0.00 173.24 173.87 2g0k s PHE 112 N -2.06 1.52 0.00 3.44 0.40 -1.26 -2.73 117.98 117.29 2g0k s PHE 112 Ca 0.28 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 2g0k s PHE 112 Cb 0.00 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.30 2g0k s PHE 112 CO -0.01 -0.62 0.00 0.09 0.70 0.00 0.00 175.22 175.38