#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 3.61 1.08 0.00 0.00 -1.26 -4.61 121.76 120.58 2g0k s ALA 2 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2g0k s ALA 2 Cb 0.00 -2.37 0.12 0.00 0.00 0.00 0.00 23.12 20.87 2g0k s ALA 2 CO 0.00 -0.18 0.48 -0.35 0.00 0.00 0.00 175.76 175.71 2g0k n PRO 3 N 4.25 -1.57 -3.32 0.00 -0.04 -1.26 -3.95 135.00 129.11 2g0k n PRO 3 Ca -0.14 -0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 62.13 2g0k n PRO 3 Cb 0.52 -0.66 -0.09 0.00 -0.04 0.00 0.00 33.50 33.24 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 -1.93 5.08 -0.02 0.52 2.01 -0.97 -1.66 115.64 118.68 2g0k s THR 4 Ca 0.30 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2g0k s THR 4 Cb -0.02 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2g0k s THR 4 CO 0.23 -0.39 -0.14 0.00 -0.69 0.00 0.00 174.62 173.62 2g0k s ALA 5 N 2.16 1.22 -0.38 7.40 0.00 -1.23 0.58 121.76 131.51 2g0k s ALA 5 Ca 0.13 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 2g0k s ALA 5 Cb -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2g0k s ALA 5 CO 0.14 0.28 0.28 0.95 0.00 0.00 0.00 175.76 177.41 2g0k s THR 6 N -0.26 5.26 0.14 0.00 -4.23 0.85 -4.76 115.64 112.65 2g0k s THR 6 Ca 0.04 -0.43 0.07 0.00 -1.18 0.00 0.00 61.69 60.19 2g0k s THR 6 Cb -0.06 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 2g0k s THR 6 CO -0.00 -0.18 -0.01 0.68 -0.54 0.00 0.00 174.62 174.57 2g0k s VAL 7 N 1.74 3.76 1.14 2.29 -7.23 -1.24 -0.03 120.40 120.82 2g0k s VAL 7 Ca 0.06 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 2g0k s VAL 7 Cb -0.18 -2.85 0.26 0.00 0.56 0.00 0.00 36.38 34.17 2g0k s VAL 7 CO 0.10 -0.03 1.08 0.28 -0.31 0.00 0.00 175.10 176.23 2g0k s THR 8 N -1.56 1.77 -0.16 5.32 -1.32 0.43 -4.87 115.64 115.25 2g0k s THR 8 Ca 0.26 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g0k s THR 8 Cb -0.10 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 2g0k s THR 8 CO 0.18 0.00 1.42 -2.16 -2.21 0.00 0.00 174.62 171.85 2g0k s PRO 9 N -5.13 4.12 -0.59 7.08 0.04 -1.26 -4.70 135.00 134.56 2g0k s PRO 9 Ca 0.68 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.50 2g0k s PRO 9 Cb -0.15 -3.87 0.40 0.00 0.04 0.00 0.00 34.50 30.92 2g0k s PRO 9 CO 0.58 -0.87 1.49 -1.13 0.04 0.00 0.00 177.00 177.10 2g0k n SER 10 N 7.12 5.87 -3.88 6.66 3.41 -1.26 -4.89 113.62 126.65 2g0k n SER 10 Ca 0.16 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.70 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.58 3.89 0.00 4.04 1.04 -1.22 -2.48 113.70 116.39 2g0k s SER 11 Ca 0.50 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2g0k s SER 11 Cb 0.42 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2g0k s SER 11 CO -0.25 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2g0k n GLY 12 N 4.71 1.09 3.75 7.32 0.00 -1.25 -4.78 105.19 116.02 2g0k n GLY 12 Ca -0.07 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 4.18 0.45 0.99 1.43 -1.26 -4.90 118.68 119.56 2g0k s LEU 13 Ca 0.00 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 2g0k s LEU 13 Cb 0.00 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2g0k s LEU 13 CO 0.00 0.23 0.34 -0.44 0.23 0.00 0.00 176.35 176.71 2g0k s SER 14 N 0.05 4.79 0.30 2.29 0.01 -1.26 -4.90 113.70 114.99 2g0k s SER 14 Ca 0.09 -0.95 -0.26 0.00 1.31 0.00 0.00 55.95 56.13 2g0k s SER 14 Cb -0.11 -0.29 -0.14 0.00 0.21 0.00 0.00 66.02 65.69 2g0k s SER 14 CO -0.00 -0.75 0.77 -0.67 0.41 0.00 0.00 173.24 172.99 2g0k n ASP 15 N -1.54 0.10 0.00 2.44 2.03 -1.26 -1.84 116.55 116.48 2g0k n ASP 15 Ca 0.01 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2g0k n ASP 15 Cb 0.63 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 1.56 3.12 3.80 0.27 0.00 -1.26 -5.06 105.19 107.62 2g0k n GLY 16 Ca 0.12 0.00 -0.34 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 3.97 -0.21 2.61 2.01 -0.77 -5.04 115.64 115.41 2g0k s THR 17 Ca 0.00 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2g0k s THR 17 Cb 0.00 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 69.04 2g0k s THR 17 CO 0.00 -0.25 -0.13 0.54 -0.69 0.00 0.00 174.62 174.09 2g0k s VAL 18 N -2.02 1.95 0.47 3.82 0.11 -1.26 -3.48 120.40 119.99 2g0k s VAL 18 Ca 0.65 -1.21 -0.17 0.00 -2.93 0.00 0.00 61.98 58.33 2g0k s VAL 18 Cb -0.14 -1.96 -0.09 0.00 -1.53 0.00 0.00 36.38 32.67 2g0k s VAL 18 CO 0.18 0.21 0.94 -0.69 -3.33 0.00 0.00 175.10 172.41 2g0k s VAL 19 N 1.26 4.54 0.05 2.04 1.01 -0.47 -4.91 120.40 123.92 2g0k s VAL 19 Ca -0.02 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2g0k s VAL 19 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2g0k s VAL 19 CO -0.09 -0.56 -0.03 -0.75 0.00 0.00 0.00 175.10 173.68 2g0k s LYS 20 N -3.77 2.54 -0.21 2.72 2.36 -1.26 -0.89 119.74 121.23 2g0k s LYS 20 Ca 0.58 -0.78 -0.04 0.00 -2.55 0.00 0.00 55.97 53.18 2g0k s LYS 20 Cb -0.10 -2.52 0.10 0.00 -1.05 0.00 0.00 37.83 34.26 2g0k s LYS 20 CO 0.26 0.57 0.28 0.14 1.55 0.00 0.00 175.35 178.15 2g0k s VAL 21 N -1.16 -0.42 -0.20 4.02 -7.23 -0.56 -0.43 120.40 114.42 2g0k s VAL 21 Ca 0.21 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.34 2g0k s VAL 21 Cb -0.11 -0.70 0.03 0.00 0.56 0.00 0.00 36.38 36.16 2g0k s VAL 21 CO 0.13 -0.14 -0.17 0.00 -0.31 0.00 0.00 175.10 174.60 2g0k s ALA 22 N 2.41 2.41 0.29 1.32 0.00 0.95 -2.38 121.76 126.76 2g0k s ALA 22 Ca 0.08 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 2g0k s ALA 22 Cb -0.15 -1.31 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 2g0k s ALA 22 CO -0.13 -0.60 0.86 0.20 0.00 0.00 0.00 175.76 176.10 2g0k s GLY 23 N 1.24 2.71 -0.27 0.00 0.00 -0.97 0.29 107.32 110.32 2g0k s GLY 23 Ca 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 2g0k s GLY 23 CO -0.11 0.79 0.21 0.00 0.00 0.00 0.00 173.10 173.99 2g0k s ALA 24 N -1.62 -0.00 0.00 3.20 0.00 2.40 -2.81 121.76 122.93 2g0k s ALA 24 Ca 0.48 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2g0k s ALA 24 Cb -0.17 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2g0k s ALA 24 CO 0.22 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.82 2g0k n GLY 25 N 5.29 1.40 3.96 0.00 0.00 -1.25 -2.30 105.19 112.29 2g0k n GLY 25 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 3.07 -0.00 0.99 1.43 -1.08 -4.80 118.68 118.28 2g0k s LEU 26 Ca 0.00 0.09 -0.33 0.00 -1.03 0.00 0.00 54.13 52.86 2g0k s LEU 26 Cb 0.00 -2.80 -0.11 0.00 0.03 0.00 0.00 46.19 43.31 2g0k s LEU 26 CO 0.00 -1.44 1.87 0.00 0.23 0.00 0.00 176.35 177.01 2g0k n GLN 27 N -2.64 2.43 -2.40 1.70 6.02 -1.26 -4.58 117.38 116.65 2g0k n GLN 27 Ca 0.09 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.55 2g0k n GLN 27 Cb 0.60 -2.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.07 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 3.66 3.41 0.00 -1.58 0.00 -1.26 -2.38 121.76 123.61 2g0k s ALA 28 Ca 0.89 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2g0k s ALA 28 Cb -0.60 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2g0k s ALA 28 CO 0.46 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2g0k n GLY 29 N 2.88 0.52 3.81 0.00 0.00 -1.12 -4.94 105.19 106.34 2g0k n GLY 29 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.23 5.26 0.42 2.61 2.01 -1.00 -4.84 115.64 117.86 2g0k s THR 30 Ca 0.00 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 2g0k s THR 30 Cb 0.00 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 2g0k s THR 30 CO 0.00 0.52 0.87 0.00 -0.69 0.00 0.00 174.62 175.33 2g0k s ALA 31 N -0.53 3.18 0.02 7.40 0.00 -1.26 -2.39 121.76 128.17 2g0k s ALA 31 Ca 0.19 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2g0k s ALA 31 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2g0k s ALA 31 CO 0.08 0.04 -0.06 0.71 0.00 0.00 0.00 175.76 176.53 2g0k s TYR 32 N -2.30 0.53 -0.31 0.00 2.02 -0.80 -3.64 117.35 112.85 2g0k s TYR 32 Ca 0.57 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.86 2g0k s TYR 32 Cb -0.10 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2g0k s TYR 32 CO 0.23 -0.06 0.11 0.34 -1.57 0.00 0.00 175.55 174.60 2g0k s ASP 33 N -0.99 5.29 -0.02 2.29 2.15 1.80 -3.24 116.67 123.96 2g0k s ASP 33 Ca -0.06 -0.79 -0.01 0.00 0.43 0.00 0.00 52.55 52.12 2g0k s ASP 33 Cb -0.07 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2g0k s ASP 33 CO 0.00 -0.24 0.08 -0.69 -0.17 0.00 0.00 175.17 174.15 2g0k s VAL 34 N 1.51 4.78 0.07 1.11 1.01 0.17 0.89 120.40 129.93 2g0k s VAL 34 Ca 0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2g0k s VAL 34 Cb -0.18 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.13 2g0k s VAL 34 CO 0.04 0.39 1.10 -0.83 0.00 0.00 0.00 175.10 175.80 2g0k s GLY 35 N -1.61 -0.31 -0.42 4.51 0.00 1.50 -0.47 107.32 110.52 2g0k s GLY 35 Ca 0.22 0.40 -0.09 0.00 0.00 0.00 0.00 44.72 45.24 2g0k s GLY 35 CO 0.12 0.06 0.26 1.62 0.00 0.00 0.00 173.10 175.16 2g0k s GLN 36 N -2.90 2.63 -0.07 2.90 0.74 -1.25 -1.28 119.66 120.43 2g0k s GLN 36 Ca 0.13 -1.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.09 2g0k s GLN 36 Cb 0.01 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 2g0k s GLN 36 CO -0.01 -0.93 0.03 0.00 -0.55 0.00 0.00 175.29 173.83 2g0k s ALA 38 N -0.96 1.86 0.06 0.00 0.00 0.41 -1.18 121.76 121.94 2g0k s ALA 38 Ca 0.15 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.87 2g0k s ALA 38 Cb -0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 2g0k s ALA 38 CO 0.05 0.42 1.66 -0.46 0.00 0.00 0.00 175.76 177.43 2g0k s TRP 39 N -0.39 2.35 -0.22 0.00 -0.00 -1.23 -0.36 118.94 119.10 2g0k s TRP 39 Ca 0.05 0.29 -0.12 0.00 -0.00 0.00 0.00 56.10 56.32 2g0k s TRP 39 Cb -0.10 -3.96 -0.09 0.00 -0.00 0.00 0.00 33.47 29.32 2g0k s TRP 39 CO 0.00 -3.89 -0.29 0.28 -0.00 0.00 0.00 176.95 173.05 2g0k n VAL 40 N 4.82 1.28 -4.33 5.86 0.31 0.16 -4.85 118.33 121.58 2g0k n VAL 40 Ca 0.16 -0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 64.07 2g0k n VAL 40 Cb 0.41 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.37 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 -6.90 1.53 -0.31 4.52 1.11 0.22 -4.99 116.67 111.85 2g0k s ASP 41 Ca -0.31 -1.32 -0.36 0.00 0.18 0.00 0.00 52.55 50.74 2g0k s ASP 41 Cb 0.11 0.08 -0.12 0.00 1.07 0.00 0.00 42.92 44.06 2g0k s ASP 41 CO 0.39 -0.64 2.09 1.07 1.18 0.00 0.00 175.17 179.27 2g0k n THR 42 N -0.46 0.25 -0.96 -1.27 5.66 -1.26 0.20 114.28 116.44 2g0k n THR 42 Ca -0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2g0k n THR 42 Cb 0.65 -1.60 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 6.00 0.35 3.09 1.09 0.00 -1.26 -4.97 105.19 109.48 2g0k n GLY 43 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.81 1.87 -0.04 1.61 1.01 0.55 -5.08 120.40 118.50 2g0k s VAL 44 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2g0k s VAL 44 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2g0k s VAL 44 CO 0.00 0.51 -0.11 -1.48 0.00 0.00 0.00 175.10 174.02 2g0k s LEU 45 N 1.28 1.77 0.25 3.92 2.34 -1.26 0.71 118.68 127.68 2g0k s LEU 45 Ca 0.03 -0.24 -0.05 0.00 0.06 0.00 0.00 54.13 53.93 2g0k s LEU 45 Cb -0.13 -0.69 -0.05 0.00 -0.56 0.00 0.00 46.19 44.75 2g0k s LEU 45 CO -0.10 0.08 0.50 0.00 -1.06 0.00 0.00 176.35 175.76 2g0k s ALA 46 N 0.26 3.68 0.03 1.48 0.00 0.51 -4.15 121.76 123.57 2g0k s ALA 46 Ca -0.05 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2g0k s ALA 46 Cb -0.11 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2g0k s ALA 46 CO 0.01 0.36 -0.10 0.00 0.00 0.00 0.00 175.76 176.04 2g0k s ASN 48 N -1.57 5.11 0.00 0.00 4.22 -1.02 0.36 114.94 122.04 2g0k s ASN 48 Ca 0.17 -0.78 0.20 0.00 -2.14 0.00 0.00 52.86 50.31 2g0k s ASN 48 Cb -0.11 -1.87 1.17 0.00 1.28 0.00 0.00 41.25 41.72 2g0k s ASN 48 CO 0.08 -0.21 1.57 -0.81 -2.04 0.00 0.00 177.10 175.69 2g0k n PRO 49 N 4.85 0.60 0.05 3.55 -0.04 -1.26 -2.35 135.00 140.41 2g0k n PRO 49 Ca -0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2g0k n PRO 49 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.01 2.43 -2.34 0.55 0.00 -1.26 -3.61 120.51 115.28 2g0k n ALA 50 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2g0k n ALA 50 Cb 0.07 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.15 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2g0k n ASP 51 N -1.91 1.10 -4.56 0.00 8.00 -0.99 -5.04 116.55 113.16 2g0k n ASP 51 Ca 0.06 -2.32 -0.43 0.00 0.71 0.00 0.00 54.79 52.81 2g0k n ASP 51 Cb 0.39 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2g0k s PHE 52 N -0.54 2.84 0.47 1.24 0.08 -1.23 -3.87 117.98 116.97 2g0k s PHE 52 Ca 0.34 0.30 0.07 0.00 0.12 0.00 0.00 56.93 57.77 2g0k s PHE 52 Cb 0.38 -4.11 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 2g0k s PHE 52 CO -0.15 -1.25 0.43 0.45 -0.10 0.00 0.00 175.22 174.60 2g0k s SER 53 N 2.53 4.93 0.04 1.36 0.15 0.38 -4.98 113.70 118.11 2g0k s SER 53 Ca 0.37 -0.90 -0.08 0.00 0.70 0.00 0.00 55.95 56.03 2g0k s SER 53 Cb -0.10 -0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2g0k s SER 53 CO 0.25 -0.86 0.16 -0.94 1.20 0.00 0.00 173.24 173.05 2g0k s SER 54 N -4.23 0.08 -0.05 5.45 1.04 -1.26 -2.27 113.70 112.46 2g0k s SER 54 Ca 0.46 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 56.19 2g0k s SER 54 Cb -0.03 0.26 0.11 0.00 0.10 0.00 0.00 66.02 66.46 2g0k s SER 54 CO 0.27 -0.53 0.90 0.54 0.98 0.00 0.00 173.24 175.40 2g0k s VAL 55 N -2.49 0.00 -0.04 5.02 0.11 -1.20 -4.98 120.40 116.82 2g0k s VAL 55 Ca -0.06 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.03 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 -0.04 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -2.49 1.34 0.65 5.04 2.01 -1.26 -1.90 115.64 119.02 2g0k s THR 56 Ca 0.02 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 2g0k s THR 56 Cb -0.01 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2g0k s THR 56 CO -0.05 0.39 1.12 0.00 -0.69 0.00 0.00 174.62 175.39 2g0k s ALA 57 N 0.03 2.48 0.36 7.40 0.00 -1.01 -4.79 121.76 126.24 2g0k s ALA 57 Ca -0.03 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2g0k s ALA 57 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2g0k s ALA 57 CO 0.02 -1.24 0.00 -0.40 0.00 0.00 0.00 175.76 174.14 2g0k n ASP 58 N -2.25 0.00 0.25 0.00 5.68 -0.84 -3.05 116.55 116.33 2g0k n ASP 58 Ca 0.11 -0.94 0.09 0.00 -0.50 0.00 0.00 54.79 53.54 2g0k n ASP 58 Cb 0.52 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.13 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 -0.45 1.66 0.00 2.12 0.00 -1.93 0.10 119.26 120.76 2g0k h ALA 59 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2g0k h ALA 59 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2g0k h ALA 59 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2g0k n ASN 60 N -4.17 0.00 -0.16 0.00 4.13 -1.26 -4.86 115.26 108.95 2g0k n ASN 60 Ca -0.03 0.19 -0.02 0.00 1.68 0.00 0.00 54.58 56.40 2g0k n ASN 60 Cb 0.19 -0.38 -0.01 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.79 0.55 3.63 7.41 0.00 0.34 -4.75 105.19 113.15 2g0k n GLY 61 Ca 0.09 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.48 5.06 0.34 1.61 1.04 -1.26 -2.62 113.70 115.40 2g0k s SER 62 Ca 0.00 0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.58 2g0k s SER 62 Cb 0.00 -1.49 -0.07 0.00 0.10 0.00 0.00 66.02 64.56 2g0k s SER 62 CO 0.00 0.33 -0.08 0.00 0.98 0.00 0.00 173.24 174.47 2g0k s ALA 63 N -0.58 2.88 -0.15 5.32 0.00 -1.12 -1.99 121.76 126.11 2g0k s ALA 63 Ca 0.09 -2.09 -0.08 0.00 0.00 0.00 0.00 51.96 49.89 2g0k s ALA 63 Cb -0.12 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.08 2g0k s ALA 63 CO 0.02 0.04 0.36 -1.54 0.00 0.00 0.00 175.76 174.63 2g0k s SER 64 N -3.59 -0.35 0.06 0.00 1.04 -1.26 -2.29 113.70 107.31 2g0k s SER 64 Ca 0.32 0.78 -0.26 0.00 0.48 0.00 0.00 55.95 57.27 2g0k s SER 64 Cb 0.03 0.73 0.09 0.00 0.10 0.00 0.00 66.02 66.98 2g0k s SER 64 CO 0.16 -0.19 0.80 -0.89 0.98 0.00 0.00 173.24 174.09 2g0k s THR 65 N 1.58 0.00 -0.13 2.02 2.01 -1.00 -4.92 115.64 115.19 2g0k s THR 65 Ca -0.08 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2g0k s THR 65 Cb -0.10 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 2g0k s THR 65 CO -0.11 0.00 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.19 2g0k s SER 66 N -2.61 3.46 -0.25 3.53 0.01 -1.26 -1.49 113.70 115.09 2g0k s SER 66 Ca 0.04 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.73 2g0k s SER 66 Cb -0.01 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 2g0k s SER 66 CO -0.09 0.12 0.09 -0.22 0.41 0.00 0.00 173.24 173.54 2g0k s LEU 67 N 0.60 3.53 0.15 2.44 1.98 -0.06 -4.91 118.68 122.41 2g0k s LEU 67 Ca -0.10 -0.17 -0.30 0.00 -2.89 0.00 0.00 54.13 50.66 2g0k s LEU 67 Cb -0.16 -1.95 -0.07 0.00 0.66 0.00 0.00 46.19 44.67 2g0k s LEU 67 CO 0.03 -0.03 1.08 0.28 -1.89 0.00 0.00 176.35 175.81 2g0k s THR 68 N 1.61 4.03 -0.12 3.68 -1.32 -1.26 -1.37 115.64 120.89 2g0k s THR 68 Ca 0.06 1.70 -0.03 0.00 -1.21 0.00 0.00 61.69 62.21 2g0k s THR 68 Cb -0.15 -4.09 -0.03 0.00 -1.51 0.00 0.00 72.50 66.72 2g0k s THR 68 CO 0.05 0.27 0.00 0.54 -2.21 0.00 0.00 174.62 173.27 2g0k s VAL 69 N -0.06 4.29 0.31 5.08 0.11 -1.23 -4.74 120.40 124.15 2g0k s VAL 69 Ca 0.50 -0.24 0.10 0.00 -2.93 0.00 0.00 61.98 59.41 2g0k s VAL 69 Cb -0.28 -2.85 -0.05 0.00 -1.53 0.00 0.00 36.38 31.67 2g0k s VAL 69 CO 0.33 0.55 -0.06 -0.13 -3.33 0.00 0.00 175.10 172.46 2g0k s ARG 70 N -0.30 2.00 0.24 1.54 3.00 -1.26 -4.27 118.95 119.90 2g0k s ARG 70 Ca 0.06 -1.69 0.23 0.00 0.00 0.00 0.00 55.73 54.33 2g0k s ARG 70 Cb -0.12 -1.92 0.10 0.00 0.00 0.00 0.00 34.95 33.00 2g0k s ARG 70 CO 0.02 0.24 1.18 0.07 0.00 0.00 0.00 175.30 176.81 2g0k h ARG 71 N 1.96 0.00 -1.85 3.54 0.11 -1.94 -3.41 114.38 112.80 2g0k h ARG 71 Ca -0.42 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.65 2g0k h ARG 71 Cb 1.25 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.12 2g0k h ARG 71 CO 0.64 0.00 0.29 0.45 0.10 0.00 0.00 179.97 181.45 2g0k s SER 72 N -5.41 -0.58 -0.25 0.08 0.15 -1.26 -0.02 113.70 106.41 2g0k s SER 72 Ca 0.02 0.81 -0.31 0.00 0.70 0.00 0.00 55.95 57.16 2g0k s SER 72 Cb 0.09 0.72 0.17 0.00 -1.71 0.00 0.00 66.02 65.29 2g0k s SER 72 CO 0.76 -0.42 1.29 0.72 1.20 0.00 0.00 173.24 176.79 2g0k s PHE 73 N -0.68 -0.09 -0.05 3.44 -0.12 -0.58 -4.93 117.98 114.98 2g0k s PHE 73 Ca -0.05 0.13 -0.32 0.00 -0.05 0.00 0.00 56.93 56.65 2g0k s PHE 73 Cb -0.02 0.49 -0.10 0.00 -0.63 0.00 0.00 43.02 42.77 2g0k s PHE 73 CO 0.04 -0.10 1.97 -0.85 -0.05 0.00 0.00 175.22 176.23 2g0k n GLU 74 N 0.39 2.47 -2.58 1.99 0.00 -1.26 -0.09 120.64 121.56 2g0k n GLU 74 Ca -0.01 0.89 -0.41 0.00 0.00 0.00 0.00 57.16 57.63 2g0k n GLU 74 Cb 0.58 -2.86 -0.03 0.00 0.00 0.00 0.00 31.44 29.13 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 4.70 0.96 -0.69 -1.84 0.00 0.13 -3.90 107.32 106.68 2g0k s GLY 75 Ca 0.92 -1.50 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 2g0k s GLY 75 CO 0.46 2.61 1.14 -1.36 0.00 0.00 0.00 173.10 175.95 2g0k s PHE 76 N 5.53 2.47 0.19 1.90 0.08 1.11 -1.47 117.98 127.78 2g0k s PHE 76 Ca 0.35 -0.17 -0.33 0.00 0.12 0.00 0.00 56.93 56.90 2g0k s PHE 76 Cb -0.08 -4.47 -0.14 0.00 -0.57 0.00 0.00 43.02 37.77 2g0k s PHE 76 CO 0.12 -1.84 1.50 -0.11 -0.10 0.00 0.00 175.22 174.79 2g0k n LEU 77 N 8.61 3.03 -0.35 -0.37 7.94 0.19 0.97 117.00 137.01 2g0k n LEU 77 Ca 0.01 1.11 0.26 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.48 -1.42 0.53 0.00 0.53 0.00 0.00 43.42 43.55 2g0k n LEU 77 CO 0.68 -0.40 1.22 -0.26 -1.11 0.00 0.00 177.39 177.52 2g0k h PHE 78 N 5.21 0.64 0.00 1.96 0.04 -1.86 1.62 116.94 124.55 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2g0k h PHE 78 Cb 1.27 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2g0k h PHE 78 CO 0.60 -0.00 0.12 0.22 -0.60 0.00 0.00 178.31 178.65 2g0k h ASP 79 N 0.33 0.00 0.00 2.17 3.58 -1.93 -3.44 116.42 117.13 2g0k h ASP 79 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 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 -0.33 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.64 2g0k n GLY 80 N -1.24 1.58 3.50 -0.78 0.00 0.55 -5.10 105.19 103.70 2g0k n GLY 80 Ca -0.02 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 2.90 -0.70 2.61 2.01 -1.05 -4.93 115.64 114.49 2g0k s THR 81 Ca 0.00 -1.47 -0.21 0.00 0.31 0.00 0.00 61.69 60.31 2g0k s THR 81 Cb 0.00 -2.33 0.09 0.00 0.01 0.00 0.00 72.50 70.26 2g0k s THR 81 CO 0.00 0.10 0.95 -0.13 -0.69 0.00 0.00 174.62 174.85 2g0k s ARG 82 N -2.14 3.19 0.15 4.92 1.81 -1.26 0.53 118.95 126.15 2g0k s ARG 82 Ca 0.18 -1.10 -0.14 0.00 -1.72 0.00 0.00 55.73 52.95 2g0k s ARG 82 Cb -0.11 -4.37 0.02 0.00 -0.45 0.00 0.00 34.95 30.05 2g0k s ARG 82 CO 0.10 -1.76 1.67 2.35 -0.68 0.00 0.00 175.30 176.99 2g0k h TRP 83 N 9.36 0.77 0.00 -0.53 7.01 -1.63 -3.48 115.95 127.43 2g0k h TRP 83 Ca -0.20 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.72 2g0k h TRP 83 Cb 1.06 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 2g0k h TRP 83 CO 0.98 0.67 0.00 0.41 -2.79 0.00 0.00 178.44 177.71 2g0k n GLY 84 N -0.69 0.99 3.70 2.65 0.00 -1.24 -4.97 105.19 105.62 2g0k n GLY 84 Ca 0.01 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2g0k n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 85 N -1.02 2.80 0.14 2.61 2.01 -1.26 0.17 115.64 121.08 2g0k s THR 85 Ca 0.00 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.38 2g0k s THR 85 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2g0k s THR 85 CO 0.00 0.01 0.23 -0.69 -0.69 0.00 0.00 174.62 173.48 2g0k s VAL 86 N 2.34 5.12 -0.36 3.82 1.01 0.87 -4.83 120.40 128.37 2g0k s VAL 86 Ca 0.75 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2g0k s VAL 86 Cb -0.42 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.46 2g0k s VAL 86 CO 0.33 -0.05 0.13 -1.81 0.00 0.00 0.00 175.10 173.70 2g0k s ASP 87 N -3.07 4.15 0.56 3.32 1.01 -1.26 -1.52 116.67 119.86 2g0k s ASP 87 Ca 0.34 -2.12 0.28 0.00 0.71 0.00 0.00 52.55 51.76 2g0k s ASP 87 Cb -0.11 -1.16 1.47 0.00 1.01 0.00 0.00 42.92 44.13 2g0k s ASP 87 CO 0.27 -0.36 1.94 0.00 0.21 0.00 0.00 175.17 177.24 2g0k n THR 89 N -4.02 0.00 -0.01 0.00 -2.24 -1.23 -3.09 114.28 103.70 2g0k n THR 89 Ca 0.10 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2g0k n THR 89 Cb 0.67 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 2g0k n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2g0k n THR 90 N -0.94 0.10 -4.16 4.28 -1.04 0.46 -5.08 114.28 107.91 2g0k n THR 90 Ca 0.19 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 62.05 2g0k n THR 90 Cb 0.09 -0.60 -0.02 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.95 0.21 -2.80 2.41 0.00 -0.39 -5.06 120.51 112.93 2g0k n ALA 91 Ca -0.02 -0.70 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 2g0k n ALA 91 Cb 0.44 0.49 -0.11 0.00 0.00 0.00 0.00 19.45 20.27 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 3.42 0.12 0.00 0.00 -1.26 -4.60 121.76 117.04 2g0k s ALA 92 Ca 0.08 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2g0k s ALA 92 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2g0k s ALA 92 CO 0.06 -0.19 0.14 0.00 0.00 0.00 0.00 175.76 175.77 2g0k s GLN 94 N -2.78 0.51 0.26 0.00 -2.07 -0.33 -0.70 119.66 114.55 2g0k s GLN 94 Ca 0.31 -0.23 0.09 0.00 -1.82 0.00 0.00 55.36 53.71 2g0k s GLN 94 Cb -0.11 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 2g0k s GLN 94 CO 0.24 -0.12 0.07 0.08 -1.32 0.00 0.00 175.29 174.24 2g0k s VAL 95 N -1.14 3.82 -0.05 3.63 1.01 -1.06 -0.34 120.40 126.26 2g0k s VAL 95 Ca -0.12 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 59.82 2g0k s VAL 95 Cb -0.06 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.39 2g0k s VAL 95 CO 0.02 -0.36 1.31 -0.83 0.00 0.00 0.00 175.10 175.24 2g0k s GLY 96 N -3.74 -0.41 -0.08 4.51 0.00 -0.40 -3.32 107.32 103.88 2g0k s GLY 96 Ca 0.32 0.86 0.02 0.00 0.00 0.00 0.00 44.72 45.92 2g0k s GLY 96 CO 0.22 0.18 -0.12 0.48 0.00 0.00 0.00 173.10 173.86 2g0k s LEU 97 N -2.88 1.62 0.08 0.66 2.34 1.48 0.44 118.68 122.41 2g0k s LEU 97 Ca 0.14 -0.32 0.07 0.00 0.06 0.00 0.00 54.13 54.08 2g0k s LEU 97 Cb 0.05 -0.88 -0.04 0.00 -0.56 0.00 0.00 46.19 44.76 2g0k s LEU 97 CO -0.04 0.02 -0.15 -0.44 -1.06 0.00 0.00 176.35 174.68 2g0k s SER 98 N 0.80 4.09 0.00 1.48 0.01 5.26 -1.77 113.70 123.58 2g0k s SER 98 Ca -0.12 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2g0k s SER 98 Cb -0.15 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2g0k s SER 98 CO 0.02 0.21 0.00 -0.90 0.41 0.00 0.00 173.24 172.98 2g0k n ASP 99 N 1.01 0.57 -0.04 2.44 5.75 -1.11 0.49 116.55 125.65 2g0k n ASP 99 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.50 2g0k n ASP 99 Cb 0.52 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N -0.29 0.16 0.00 2.12 0.00 -1.93 -2.95 119.26 116.38 2g0k h ALA 100 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2g0k h ALA 100 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 2g0k h ALA 101 N 0.60 1.10 -0.95 0.00 0.00 -1.96 -3.47 119.26 114.58 2g0k h ALA 101 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 101 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2g0k h ALA 101 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2g0k n GLY 102 N -0.15 0.65 3.37 0.00 0.00 -1.11 -5.12 105.19 102.82 2g0k n GLY 102 Ca -0.01 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.03 2.16 0.03 1.61 6.03 -1.26 -4.83 114.94 116.65 2g0k s ASN 103 Ca 0.00 -1.23 -0.28 0.00 -1.03 0.00 0.00 52.86 50.32 2g0k s ASN 103 Cb 0.00 -0.05 0.10 0.00 -3.03 0.00 0.00 41.25 38.26 2g0k s ASN 103 CO 0.00 -0.48 1.23 -0.83 -2.03 0.00 0.00 177.10 174.99 2g0k s GLY 104 N -3.37 -0.16 0.79 0.45 0.00 -1.26 -2.75 107.32 101.02 2g0k s GLY 104 Ca 0.30 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 2g0k s GLY 104 CO 0.10 3.38 1.09 2.56 0.00 0.00 0.00 173.10 180.23 2g0k s PRO 105 N -2.20 2.14 -0.40 2.90 0.04 -1.26 -4.34 135.00 131.88 2g0k s PRO 105 Ca 0.23 0.90 -0.41 0.00 0.04 0.00 0.00 61.00 61.76 2g0k s PRO 105 Cb 0.00 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.46 2g0k s PRO 105 CO -0.00 -1.65 1.37 -1.91 0.04 0.00 0.00 177.00 174.85 2g0k n GLU 106 N -3.49 0.00 -1.03 4.56 2.13 -0.66 -4.38 120.64 117.77 2g0k n GLU 106 Ca 0.08 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.56 2g0k n GLU 106 Cb 0.54 -1.32 0.02 0.00 0.27 0.00 0.00 31.44 30.95 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2g0k n GLY 107 N 3.34 -3.29 3.07 8.31 0.00 -1.26 -4.76 105.19 110.59 2g0k n GLY 107 Ca 0.26 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.77 2.49 -0.17 1.61 1.01 -1.21 -5.06 120.40 117.29 2g0k s VAL 108 Ca 0.45 -1.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.22 2g0k s VAL 108 Cb -0.34 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2g0k s VAL 108 CO 0.64 -0.38 0.73 0.00 0.00 0.00 0.00 175.10 176.09 2g0k s ALA 109 N 1.04 3.52 0.19 5.51 0.00 -1.26 -2.57 121.76 128.18 2g0k s ALA 109 Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2g0k s ALA 109 Cb -0.20 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2g0k s ALA 109 CO -0.06 -0.57 0.28 0.42 0.00 0.00 0.00 175.76 175.84 2g0k s ILE 110 N 1.94 5.11 -0.05 0.00 1.01 0.13 -4.98 121.20 124.36 2g0k s ILE 110 Ca 0.34 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2g0k s ILE 110 Cb -0.16 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2g0k s ILE 110 CO 0.12 -0.19 0.10 -0.55 0.00 0.00 0.00 174.94 174.42 2g0k s SER 111 N -3.51 0.41 -0.23 3.58 0.15 -1.03 -4.05 113.70 109.02 2g0k s SER 111 Ca 0.34 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 2g0k s SER 111 Cb -0.10 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2g0k s SER 111 CO 0.28 -0.19 0.31 -0.36 1.20 0.00 0.00 173.24 174.48 2g0k s PHE 112 N 1.65 3.33 0.00 3.44 0.40 -1.26 -3.46 117.98 122.08 2g0k s PHE 112 Ca -0.03 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 2g0k s PHE 112 Cb -0.12 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 40.97 2g0k s PHE 112 CO -0.05 -0.02 0.00 0.09 0.70 0.00 0.00 175.22 175.94