#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 3.67 1.17 0.00 0.00 -1.26 -4.70 121.76 120.63 2g0k s ALA 2 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 2g0k s ALA 2 Cb 0.00 -2.22 0.26 0.00 0.00 0.00 0.00 23.12 21.15 2g0k s ALA 2 CO 0.00 0.12 1.03 -0.35 0.00 0.00 0.00 175.76 176.56 2g0k n PRO 3 N 3.59 -2.49 -3.51 0.00 -0.04 -1.26 -3.88 135.00 127.41 2g0k n PRO 3 Ca -0.15 -1.63 -0.41 0.00 -0.04 0.00 0.00 63.50 61.27 2g0k n PRO 3 Cb 0.52 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.98 5.27 -0.04 0.52 -1.32 0.34 -2.24 115.64 115.19 2g0k s THR 4 Ca 0.64 -0.36 0.04 0.00 -1.21 0.00 0.00 61.69 60.80 2g0k s THR 4 Cb -0.05 -3.78 -0.00 0.00 -1.51 0.00 0.00 72.50 67.16 2g0k s THR 4 CO 0.48 -0.11 -0.16 0.00 -2.21 0.00 0.00 174.62 172.63 2g0k s ALA 5 N 1.71 1.42 -0.34 11.08 0.00 -1.19 0.86 121.76 135.30 2g0k s ALA 5 Ca 0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 2g0k s ALA 5 Cb -0.18 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2g0k s ALA 5 CO 0.10 0.27 0.26 0.95 0.00 0.00 0.00 175.76 177.34 2g0k s THR 6 N -0.01 5.27 0.07 0.00 -4.23 0.86 -4.73 115.64 112.86 2g0k s THR 6 Ca -0.02 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 2g0k s THR 6 Cb -0.10 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 2g0k s THR 6 CO 0.01 -0.02 -0.12 0.68 -0.54 0.00 0.00 174.62 174.63 2g0k s VAL 7 N 1.77 3.22 0.96 2.29 -7.23 -1.24 -0.88 120.40 119.29 2g0k s VAL 7 Ca 0.07 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 2g0k s VAL 7 Cb -0.17 -2.44 0.17 0.00 0.56 0.00 0.00 36.38 34.49 2g0k s VAL 7 CO 0.11 0.23 1.09 0.28 -0.31 0.00 0.00 175.10 176.50 2g0k s THR 8 N -1.08 2.32 -0.16 5.32 -1.32 -0.12 -4.85 115.64 115.75 2g0k s THR 8 Ca 0.18 0.11 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 2g0k s THR 8 Cb -0.11 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 2g0k s THR 8 CO 0.10 -0.14 1.42 -2.16 -2.21 0.00 0.00 174.62 171.63 2g0k s PRO 9 N -4.93 4.11 -0.03 7.08 0.04 -1.26 -4.54 135.00 135.46 2g0k s PRO 9 Ca 0.65 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2g0k s PRO 9 Cb -0.19 -3.88 0.08 0.00 0.04 0.00 0.00 34.50 30.55 2g0k s PRO 9 CO 0.58 -0.89 0.94 -1.13 0.04 0.00 0.00 177.00 176.53 2g0k n SER 10 N 7.17 1.43 -4.58 6.66 3.41 -1.26 -4.88 113.62 121.57 2g0k n SER 10 Ca 0.16 -2.08 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 2g0k n SER 10 Cb 0.45 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.28 6.47 0.00 4.04 1.04 -1.24 -3.63 113.70 119.10 2g0k s SER 11 Ca 0.08 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2g0k s SER 11 Cb 0.07 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2g0k s SER 11 CO 0.01 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2g0k n GLY 12 N 4.59 0.72 3.61 7.32 0.00 -1.09 -4.57 105.19 115.76 2g0k n GLY 12 Ca -0.00 -0.54 -0.34 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 3.51 0.72 0.99 1.43 -1.24 -4.49 118.68 119.60 2g0k s LEU 13 Ca 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2g0k s LEU 13 Cb 0.00 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.48 2g0k s LEU 13 CO 0.00 0.26 1.02 -0.44 0.23 0.00 0.00 176.35 177.42 2g0k s SER 14 N -0.16 4.51 0.63 2.29 0.01 -1.26 -4.87 113.70 114.85 2g0k s SER 14 Ca 0.05 0.14 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 2g0k s SER 14 Cb -0.13 -0.66 -0.11 0.00 0.21 0.00 0.00 66.02 65.33 2g0k s SER 14 CO 0.02 -1.77 0.12 -0.67 0.41 0.00 0.00 173.24 171.35 2g0k n ASP 15 N -2.93 -2.69 0.00 2.44 -0.08 -1.26 -2.17 116.55 109.86 2g0k n ASP 15 Ca 0.11 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 2g0k n ASP 15 Cb 0.60 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 43.05 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g0k n GLY 16 N 2.23 3.20 3.76 0.27 0.00 -1.23 -5.02 105.19 108.40 2g0k n GLY 16 Ca 0.08 0.00 -0.36 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 -2.43 2.78 -0.15 2.61 2.01 -0.92 -4.92 115.64 114.61 2g0k s THR 17 Ca 0.00 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.49 2g0k s THR 17 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.35 2g0k s THR 17 CO 0.00 -0.12 -0.20 0.68 -0.69 0.00 0.00 174.62 174.30 2g0k s VAL 18 N -1.69 1.96 -0.26 3.82 -7.23 -1.26 -2.37 120.40 113.37 2g0k s VAL 18 Ca 0.76 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 2g0k s VAL 18 Cb -0.28 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2g0k s VAL 18 CO 0.32 0.53 0.09 0.54 -0.31 0.00 0.00 175.10 176.27 2g0k s VAL 19 N 1.08 4.44 0.43 1.32 0.11 0.10 -4.89 120.40 123.00 2g0k s VAL 19 Ca -0.01 -0.18 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 2g0k s VAL 19 Cb -0.14 -3.11 -0.11 0.00 -1.53 0.00 0.00 36.38 31.49 2g0k s VAL 19 CO -0.07 0.29 0.95 -0.75 -3.33 0.00 0.00 175.10 172.19 2g0k s LYS 20 N 1.63 4.22 -0.19 1.54 2.36 -1.26 -0.16 119.74 127.88 2g0k s LYS 20 Ca 0.06 1.14 -0.04 0.00 -2.55 0.00 0.00 55.97 54.57 2g0k s LYS 20 Cb -0.15 -2.19 0.08 0.00 -1.05 0.00 0.00 37.83 34.51 2g0k s LYS 20 CO 0.05 -0.04 0.15 0.54 1.55 0.00 0.00 175.35 177.60 2g0k s VAL 21 N -2.16 -0.20 -0.20 4.02 0.11 -0.66 -0.95 120.40 120.37 2g0k s VAL 21 Ca 0.62 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2g0k s VAL 21 Cb -0.10 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2g0k s VAL 21 CO 0.14 -0.26 -0.17 0.00 -3.33 0.00 0.00 175.10 171.48 2g0k s ALA 22 N 2.22 2.34 0.24 1.54 0.00 -0.06 -1.75 121.76 126.29 2g0k s ALA 22 Ca 0.04 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 2g0k s ALA 22 Cb -0.16 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 2g0k s ALA 22 CO -0.11 -0.61 0.74 0.20 0.00 0.00 0.00 175.76 175.98 2g0k s GLY 23 N 1.26 2.60 -0.20 0.00 0.00 -0.86 0.30 107.32 110.42 2g0k s GLY 23 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 2g0k s GLY 23 CO -0.10 0.53 0.21 0.00 0.00 0.00 0.00 173.10 173.74 2g0k s ALA 24 N -1.56 -0.22 0.00 3.20 0.00 4.94 -2.90 121.76 125.20 2g0k s ALA 24 Ca 0.44 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2g0k s ALA 24 Cb -0.16 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.66 2g0k s ALA 24 CO 0.21 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2g0k n GLY 25 N 5.32 1.13 3.94 0.00 0.00 -1.14 0.13 105.19 114.56 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 3.36 -0.17 0.99 1.02 -1.03 -4.67 118.68 118.18 2g0k s LEU 26 Ca 0.00 0.39 -0.38 0.00 0.02 0.00 0.00 54.13 54.16 2g0k s LEU 26 Cb 0.00 -3.23 -0.15 0.00 0.02 0.00 0.00 46.19 42.84 2g0k s LEU 26 CO 0.00 -0.99 1.73 0.00 0.02 0.00 0.00 176.35 177.11 2g0k n GLN 27 N -2.37 1.47 -2.40 1.70 6.02 -1.26 -4.52 117.38 116.01 2g0k n GLN 27 Ca 0.04 0.54 -0.42 0.00 -0.01 0.00 0.00 57.00 57.15 2g0k n GLN 27 Cb 0.58 -2.26 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 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 3.24 3.41 0.00 -1.58 0.00 -1.26 -2.37 121.76 123.20 2g0k s ALA 28 Ca 0.95 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2g0k s ALA 28 Cb -0.94 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2g0k s ALA 28 CO 0.59 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2g0k n GLY 29 N 2.97 0.50 3.87 0.00 0.00 -0.72 -4.93 105.19 106.87 2g0k n GLY 29 Ca 0.08 0.00 -0.34 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 -2.20 5.02 0.28 2.61 2.01 -1.00 -4.82 115.64 117.54 2g0k s THR 30 Ca 0.00 0.51 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 2g0k s THR 30 Cb 0.00 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 2g0k s THR 30 CO 0.00 0.20 0.62 0.00 -0.69 0.00 0.00 174.62 174.76 2g0k s ALA 31 N -1.50 3.49 0.02 7.40 0.00 -1.26 -1.96 121.76 127.96 2g0k s ALA 31 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2g0k s ALA 31 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 2g0k s ALA 31 CO 0.19 0.35 -0.04 0.71 0.00 0.00 0.00 175.76 176.98 2g0k s TYR 32 N -1.98 0.36 -0.27 0.00 2.02 -0.88 -3.98 117.35 112.62 2g0k s TYR 32 Ca 0.49 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.77 2g0k s TYR 32 Cb -0.11 -0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 2g0k s TYR 32 CO 0.23 -0.11 -0.02 0.34 -1.57 0.00 0.00 175.55 174.42 2g0k s ASP 33 N -1.14 4.64 0.08 2.29 2.15 0.85 -3.07 116.67 122.46 2g0k s ASP 33 Ca -0.10 -1.00 -0.05 0.00 0.43 0.00 0.00 52.55 51.83 2g0k s ASP 33 Cb -0.08 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 40.78 2g0k s ASP 33 CO -0.00 -0.19 0.31 -0.69 -0.17 0.00 0.00 175.17 174.43 2g0k s VAL 34 N 1.32 5.25 -0.02 1.11 1.01 -0.80 1.01 120.40 129.28 2g0k s VAL 34 Ca -0.01 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2g0k s VAL 34 Cb -0.18 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.70 2g0k s VAL 34 CO -0.02 0.19 1.03 -0.83 0.00 0.00 0.00 175.10 175.47 2g0k s GLY 35 N -2.14 -0.37 -0.34 4.51 0.00 2.46 -0.41 107.32 111.04 2g0k s GLY 35 Ca 0.35 0.94 -0.09 0.00 0.00 0.00 0.00 44.72 45.91 2g0k s GLY 35 CO 0.22 0.29 0.15 1.62 0.00 0.00 0.00 173.10 175.37 2g0k s GLN 36 N -2.90 2.96 0.05 2.90 0.74 -1.23 -0.94 119.66 121.24 2g0k s GLN 36 Ca 0.09 -0.97 0.06 0.00 0.05 0.00 0.00 55.36 54.59 2g0k s GLN 36 Cb -0.00 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 2g0k s GLN 36 CO -0.05 -0.57 -0.12 0.00 -0.55 0.00 0.00 175.29 174.00 2g0k s ALA 38 N -1.05 1.83 -0.02 0.00 0.00 0.78 -1.94 121.76 121.37 2g0k s ALA 38 Ca 0.18 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2g0k s ALA 38 Cb -0.11 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 2g0k s ALA 38 CO 0.09 0.16 1.70 -0.46 0.00 0.00 0.00 175.76 177.25 2g0k s TRP 39 N 0.57 1.95 -0.25 0.00 -0.00 -1.26 -0.04 118.94 119.91 2g0k s TRP 39 Ca -0.15 0.11 -0.03 0.00 -0.00 0.00 0.00 56.10 56.03 2g0k s TRP 39 Cb -0.17 -3.98 -0.14 0.00 -0.00 0.00 0.00 33.47 29.18 2g0k s TRP 39 CO 0.05 -4.13 -0.26 1.33 -0.00 0.00 0.00 176.95 173.95 2g0k n VAL 40 N 5.35 1.41 -4.30 5.86 0.24 0.57 -4.88 118.33 122.58 2g0k n VAL 40 Ca 0.17 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.34 61.80 2g0k n VAL 40 Cb 0.42 -1.53 -0.08 0.00 -1.47 0.00 0.00 33.84 31.18 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 -6.71 1.76 -0.18 -1.34 1.11 0.25 -5.01 116.67 106.56 2g0k s ASP 41 Ca -0.34 -1.76 -0.29 0.00 0.18 0.00 0.00 52.55 50.35 2g0k s ASP 41 Cb 0.10 0.56 -0.05 0.00 1.07 0.00 0.00 42.92 44.60 2g0k s ASP 41 CO 0.53 -1.05 2.04 -0.89 1.18 0.00 0.00 175.17 176.97 2g0k s THR 42 N -3.43 3.16 0.00 -1.27 2.01 -1.26 -0.78 115.64 114.07 2g0k s THR 42 Ca 0.39 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2g0k s THR 42 Cb 0.02 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2g0k s THR 42 CO 0.27 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2g0k n GLY 43 N 5.32 0.36 3.01 4.40 0.00 -1.26 -4.96 105.19 112.06 2g0k n GLY 43 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.86 1.91 -0.03 1.61 1.01 0.04 -5.10 120.40 117.99 2g0k s VAL 44 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 61.98 60.51 2g0k s VAL 44 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2g0k s VAL 44 CO 0.00 -0.10 -0.19 -1.48 0.00 0.00 0.00 175.10 173.33 2g0k s LEU 45 N 1.21 1.98 0.40 3.92 2.34 -1.26 0.87 118.68 128.14 2g0k s LEU 45 Ca -0.06 -0.37 -0.08 0.00 0.06 0.00 0.00 54.13 53.68 2g0k s LEU 45 Cb -0.19 -1.02 -0.05 0.00 -0.56 0.00 0.00 46.19 44.36 2g0k s LEU 45 CO -0.06 0.20 0.73 0.00 -1.06 0.00 0.00 176.35 176.16 2g0k s ALA 46 N -0.19 3.41 0.14 1.48 0.00 0.95 -3.76 121.76 123.79 2g0k s ALA 46 Ca 0.01 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.72 2g0k s ALA 46 Cb -0.10 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2g0k s ALA 46 CO 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 175.76 175.47 2g0k s ASN 48 N -2.19 4.31 0.00 0.00 2.47 -0.96 0.30 114.94 118.87 2g0k s ASN 48 Ca 0.14 -1.26 0.20 0.00 0.42 0.00 0.00 52.86 52.36 2g0k s ASN 48 Cb -0.09 -1.56 1.16 0.00 -1.45 0.00 0.00 41.25 39.31 2g0k s ASN 48 CO 0.06 -0.17 1.58 -0.81 -3.72 0.00 0.00 177.10 174.04 2g0k n PRO 49 N 4.49 0.58 0.05 0.43 -0.04 -1.26 -2.12 135.00 137.13 2g0k n PRO 49 Ca -0.15 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2g0k n PRO 49 Cb 0.43 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.03 2.91 -1.94 0.55 0.00 -1.26 -3.83 120.51 115.91 2g0k n ALA 50 Ca 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.40 2g0k n ALA 50 Cb 0.08 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.98 1.29 -4.55 0.00 8.00 -0.90 -5.02 116.55 113.39 2g0k n ASP 51 Ca 0.04 -2.82 -0.41 0.00 0.71 0.00 0.00 54.79 52.31 2g0k n ASP 51 Cb 0.41 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.52 3.21 0.44 1.24 -0.12 -1.21 -3.54 117.98 116.49 2g0k s PHE 52 Ca 0.31 0.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.27 2g0k s PHE 52 Cb 0.32 -2.68 0.04 0.00 -0.63 0.00 0.00 43.02 40.07 2g0k s PHE 52 CO -0.09 -0.42 0.35 0.45 -0.05 0.00 0.00 175.22 175.46 2g0k n SER 53 N 5.41 2.36 -3.82 1.98 2.88 0.46 -4.94 113.62 117.94 2g0k n SER 53 Ca -0.09 -2.49 -0.11 0.00 -1.33 0.00 0.00 58.87 54.85 2g0k n SER 53 Cb 0.49 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 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 -3.60 -0.02 0.05 -3.46 1.04 -1.26 -1.99 113.70 104.46 2g0k s SER 54 Ca 0.26 -0.28 -0.27 0.00 0.48 0.00 0.00 55.95 56.14 2g0k s SER 54 Cb -0.02 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.48 2g0k s SER 54 CO 0.17 -0.54 0.89 0.54 0.98 0.00 0.00 173.24 175.28 2g0k s VAL 55 N -2.34 0.00 -0.02 5.02 0.11 -1.17 -4.97 120.40 117.03 2g0k s VAL 55 Ca -0.07 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2g0k s VAL 55 Cb -0.02 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 2g0k s VAL 55 CO -0.02 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -3.21 1.22 0.30 5.04 2.01 -1.26 -2.08 115.64 117.66 2g0k s THR 56 Ca 0.07 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 2g0k s THR 56 Cb -0.01 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.38 2g0k s THR 56 CO -0.06 0.35 0.97 0.00 -0.69 0.00 0.00 174.62 175.19 2g0k s ALA 57 N -0.24 3.25 0.98 7.40 0.00 -0.83 -4.72 121.76 127.60 2g0k s ALA 57 Ca 0.03 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 2g0k s ALA 57 Cb -0.07 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.91 2g0k s ALA 57 CO -0.00 0.11 0.44 -0.40 0.00 0.00 0.00 175.76 175.91 2g0k n ASP 58 N 0.81 0.05 0.28 0.00 5.68 -0.83 -1.76 116.55 120.79 2g0k n ASP 58 Ca 0.01 -1.17 0.14 0.00 -0.50 0.00 0.00 54.79 53.27 2g0k n ASP 58 Cb 0.49 -0.33 0.81 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.86 1.37 0.00 2.12 0.00 -1.91 0.94 119.26 119.92 2g0k h ALA 59 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2g0k h ALA 59 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2g0k h ALA 59 CO 0.10 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.53 2g0k n ASN 60 N -3.71 0.00 -0.85 0.00 4.13 -1.26 -4.82 115.26 108.75 2g0k n ASN 60 Ca -0.02 0.31 -0.07 0.00 1.68 0.00 0.00 54.58 56.48 2g0k n ASN 60 Cb 0.18 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 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 0.70 0.17 3.12 7.41 0.00 0.29 -4.75 105.19 112.14 2g0k n GLY 61 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.77 1.79 0.29 1.61 1.04 -1.26 -2.46 113.70 111.94 2g0k s SER 62 Ca 0.03 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2g0k s SER 62 Cb -0.01 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.81 2g0k s SER 62 CO 0.04 0.18 0.02 0.00 0.98 0.00 0.00 173.24 174.45 2g0k s ALA 63 N -0.29 2.17 -0.16 5.32 0.00 -1.14 -1.97 121.76 125.68 2g0k s ALA 63 Ca 0.04 -1.94 -0.08 0.00 0.00 0.00 0.00 51.96 49.99 2g0k s ALA 63 Cb -0.07 0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.66 2g0k s ALA 63 CO -0.00 -0.26 0.37 -1.54 0.00 0.00 0.00 175.76 174.34 2g0k s SER 64 N -3.42 -0.34 0.15 0.00 1.04 -1.26 -2.03 113.70 107.84 2g0k s SER 64 Ca 0.33 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.47 2g0k s SER 64 Cb 0.07 0.83 0.01 0.00 0.10 0.00 0.00 66.02 67.03 2g0k s SER 64 CO 0.13 -0.20 0.35 -0.89 0.98 0.00 0.00 173.24 173.61 2g0k s THR 65 N 1.73 0.07 -0.13 2.02 2.01 -0.72 -4.94 115.64 115.67 2g0k s THR 65 Ca -0.07 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 2g0k s THR 65 Cb -0.10 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 2g0k s THR 65 CO -0.12 -0.31 -0.11 -0.44 -0.69 0.00 0.00 174.62 172.96 2g0k s SER 66 N -2.90 4.23 -0.19 3.53 0.01 -1.26 -1.65 113.70 115.47 2g0k s SER 66 Ca 0.10 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 2g0k s SER 66 Cb 0.02 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 2g0k s SER 66 CO -0.05 0.18 -0.00 -0.22 0.41 0.00 0.00 173.24 173.56 2g0k s LEU 67 N 0.27 3.26 -0.03 2.44 1.98 0.78 -4.87 118.68 122.51 2g0k s LEU 67 Ca -0.08 -0.19 -0.28 0.00 -2.89 0.00 0.00 54.13 50.69 2g0k s LEU 67 Cb -0.15 -1.82 -0.03 0.00 0.66 0.00 0.00 46.19 44.85 2g0k s LEU 67 CO 0.05 0.08 0.92 0.28 -1.89 0.00 0.00 176.35 175.79 2g0k s THR 68 N 0.90 4.90 -0.13 3.68 -1.32 -1.26 -0.72 115.64 121.69 2g0k s THR 68 Ca 0.01 1.92 -0.19 0.00 -1.21 0.00 0.00 61.69 62.21 2g0k s THR 68 Cb -0.14 -4.26 -0.04 0.00 -1.51 0.00 0.00 72.50 66.55 2g0k s THR 68 CO 0.02 0.16 0.54 -0.69 -2.21 0.00 0.00 174.62 172.44 2g0k s VAL 69 N 1.08 5.13 0.00 5.08 1.01 -1.00 -4.88 120.40 126.83 2g0k s VAL 69 Ca 0.48 1.06 0.08 0.00 0.00 0.00 0.00 61.98 63.60 2g0k s VAL 69 Cb -0.20 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2g0k s VAL 69 CO 0.25 0.26 -0.25 -0.13 0.00 0.00 0.00 175.10 175.23 2g0k s ARG 70 N 0.98 2.02 0.25 2.72 3.00 -1.26 -3.52 118.95 123.14 2g0k s ARG 70 Ca 0.28 -0.98 0.02 0.00 0.00 0.00 0.00 55.73 55.05 2g0k s ARG 70 Cb -0.16 -2.05 0.29 0.00 0.00 0.00 0.00 34.95 33.04 2g0k s ARG 70 CO 0.11 0.55 1.62 0.07 0.00 0.00 0.00 175.30 177.65 2g0k h ARG 71 N 5.18 0.40 -2.53 3.54 0.11 -1.90 -3.41 114.38 115.76 2g0k h ARG 71 Ca -0.45 -0.21 0.06 0.00 0.10 0.00 0.00 59.98 59.48 2g0k h ARG 71 Cb 1.13 0.01 -0.14 0.00 1.11 0.00 0.00 29.97 32.08 2g0k h ARG 71 CO 0.46 0.77 0.39 -1.54 0.10 0.00 0.00 179.97 180.16 2g0k s SER 72 N -6.88 -0.44 -0.06 0.08 1.04 -1.26 0.74 113.70 106.93 2g0k s SER 72 Ca -0.06 0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 2g0k s SER 72 Cb 0.13 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.83 2g0k s SER 72 CO 0.80 -0.74 1.37 0.72 0.98 0.00 0.00 173.24 176.37 2g0k s PHE 73 N -3.31 -0.01 -0.01 5.02 -0.12 -0.77 -4.96 117.98 113.82 2g0k s PHE 73 Ca 0.03 -0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.58 2g0k s PHE 73 Cb -0.01 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.83 2g0k s PHE 73 CO -0.10 -0.13 1.87 -1.83 -0.05 0.00 0.00 175.22 174.97 2g0k s GLU 74 N -2.15 4.10 -0.96 1.99 1.03 -1.26 0.34 118.70 121.78 2g0k s GLU 74 Ca 0.18 2.42 -0.24 0.00 0.03 0.00 0.00 54.97 57.36 2g0k s GLU 74 Cb 0.05 -4.11 0.04 0.00 -0.80 0.00 0.00 34.13 29.31 2g0k s GLU 74 CO -0.05 -0.99 1.48 0.20 -1.33 0.00 0.00 175.26 174.58 2g0k s GLY 75 N 4.26 1.09 -0.72 -3.83 0.00 0.72 -4.06 107.32 104.78 2g0k s GLY 75 Ca 0.84 -2.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.27 2g0k s GLY 75 CO 0.37 2.77 1.15 -1.36 0.00 0.00 0.00 173.10 176.03 2g0k s PHE 76 N 5.64 2.46 0.22 1.90 0.08 0.87 -0.89 117.98 128.26 2g0k s PHE 76 Ca 0.47 -0.29 -0.32 0.00 0.12 0.00 0.00 56.93 56.91 2g0k s PHE 76 Cb -0.02 -4.49 -0.13 0.00 -0.57 0.00 0.00 43.02 37.82 2g0k s PHE 76 CO -0.05 -1.89 1.58 -0.11 -0.10 0.00 0.00 175.22 174.65 2g0k n LEU 77 N 8.64 3.63 -0.35 -0.37 7.94 0.12 0.33 117.00 136.94 2g0k n LEU 77 Ca 0.01 1.11 0.25 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.48 -1.50 0.52 0.00 0.53 0.00 0.00 43.42 43.44 2g0k n LEU 77 CO 0.68 -0.11 1.20 -0.26 -1.11 0.00 0.00 177.39 177.80 2g0k h PHE 78 N 5.49 0.69 0.00 1.96 0.04 -1.87 1.80 116.94 125.06 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2g0k h PHE 78 Cb 1.24 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2g0k h PHE 78 CO 0.60 -0.02 0.10 0.22 -0.60 0.00 0.00 178.31 178.61 2g0k h ASP 79 N 0.34 0.00 0.00 2.17 3.58 -1.90 -3.44 116.42 117.16 2g0k h ASP 79 Ca 0.66 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.11 2g0k h ASP 79 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2g0k h ASP 79 CO -0.38 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.59 2g0k n GLY 80 N -1.23 1.56 3.54 -0.78 0.00 0.61 -5.10 105.19 103.79 2g0k n GLY 80 Ca -0.02 -0.15 -0.30 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 3.20 -0.84 2.61 2.01 -1.07 -4.92 115.64 114.63 2g0k s THR 81 Ca 0.00 -1.18 -0.22 0.00 0.31 0.00 0.00 61.69 60.61 2g0k s THR 81 Cb 0.00 -2.43 0.09 0.00 0.01 0.00 0.00 72.50 70.16 2g0k s THR 81 CO 0.00 0.23 1.15 -0.60 -0.69 0.00 0.00 174.62 174.70 2g0k s ARG 82 N -1.83 3.39 0.03 4.92 3.52 -1.26 0.11 118.95 127.83 2g0k s ARG 82 Ca 0.18 -1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 54.31 2g0k s ARG 82 Cb -0.11 -4.70 -0.17 0.00 -1.56 0.00 0.00 34.95 28.42 2g0k s ARG 82 CO 0.10 -1.91 1.31 2.35 -0.81 0.00 0.00 175.30 176.34 2g0k h TRP 83 N 9.38 -0.80 0.00 5.12 7.01 -1.39 -3.48 115.95 131.78 2g0k h TRP 83 Ca -0.03 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2g0k h TRP 83 Cb 1.04 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 2g0k h TRP 83 CO 1.12 -0.46 0.00 0.41 -2.79 0.00 0.00 178.44 176.72 2g0k n GLY 84 N -0.89 3.39 3.56 2.65 0.00 -1.22 -4.95 105.19 107.74 2g0k n GLY 84 Ca -0.12 -1.34 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.58 0.27 -2.99 2.61 -1.04 -1.26 -0.20 114.28 110.09 2g0k n THR 85 Ca 0.00 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 2g0k n THR 85 Cb 0.00 -2.40 -0.05 0.00 -1.82 0.00 0.00 70.33 66.07 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 8.55 4.71 -0.52 12.58 1.01 0.15 -4.83 120.40 142.05 2g0k s VAL 86 Ca 1.03 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 2g0k s VAL 86 Cb -0.43 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.43 2g0k s VAL 86 CO 0.37 -0.34 0.30 -1.81 0.00 0.00 0.00 175.10 173.62 2g0k s ASP 87 N -2.64 4.98 0.60 3.32 1.11 -1.26 -1.85 116.67 120.93 2g0k s ASP 87 Ca 0.53 -2.62 0.29 0.00 0.18 0.00 0.00 52.55 50.94 2g0k s ASP 87 Cb -0.10 -1.77 1.56 0.00 1.07 0.00 0.00 42.92 43.68 2g0k s ASP 87 CO 0.23 -0.38 1.97 0.00 1.18 0.00 0.00 175.17 178.17 2g0k n THR 89 N -3.61 0.02 -0.02 0.00 -2.24 -1.14 -3.29 114.28 104.01 2g0k n THR 89 Ca 0.05 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 2g0k n THR 89 Cb 0.51 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.69 0.20 -4.37 4.28 -1.04 0.45 -4.93 114.28 108.19 2g0k n THR 90 Ca 0.18 -0.15 -0.21 0.00 -2.04 0.00 0.00 64.05 61.83 2g0k n THR 90 Cb 0.13 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 68.04 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k n ALA 91 N -2.01 0.60 -2.68 2.41 0.00 -0.70 -5.07 120.51 113.05 2g0k n ALA 91 Ca -0.05 -1.86 -0.37 0.00 0.00 0.00 0.00 53.44 51.16 2g0k n ALA 91 Cb 0.49 1.37 -0.09 0.00 0.00 0.00 0.00 19.45 21.23 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 -3.13 3.61 0.44 0.00 0.00 -1.26 -3.78 121.76 117.63 2g0k s ALA 92 Ca 0.28 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.58 2g0k s ALA 92 Cb 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2g0k s ALA 92 CO 0.20 -0.14 0.45 0.00 0.00 0.00 0.00 175.76 176.27 2g0k s GLN 94 N -4.23 0.77 0.34 0.00 -2.07 -0.82 0.12 119.66 113.77 2g0k s GLN 94 Ca 0.49 0.18 0.07 0.00 -1.82 0.00 0.00 55.36 54.29 2g0k s GLN 94 Cb -0.05 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2g0k s GLN 94 CO 0.29 -0.20 0.36 0.08 -1.32 0.00 0.00 175.29 174.50 2g0k s VAL 95 N -0.87 3.71 -0.15 3.63 1.01 -0.83 -1.45 120.40 125.45 2g0k s VAL 95 Ca -0.09 -1.23 -0.34 0.00 0.00 0.00 0.00 61.98 60.32 2g0k s VAL 95 Cb -0.03 -3.26 0.15 0.00 0.00 0.00 0.00 36.38 33.23 2g0k s VAL 95 CO 0.05 -0.16 1.39 -0.83 0.00 0.00 0.00 175.10 175.55 2g0k s GLY 96 N -4.07 -0.39 -0.04 4.51 0.00 -0.12 -1.92 107.32 105.30 2g0k s GLY 96 Ca 0.43 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.42 2g0k s GLY 96 CO 0.28 0.33 -0.08 0.48 0.00 0.00 0.00 173.10 174.11 2g0k s LEU 97 N -2.65 1.64 0.04 0.66 2.34 0.82 0.59 118.68 122.12 2g0k s LEU 97 Ca 0.13 -0.19 0.07 0.00 0.06 0.00 0.00 54.13 54.20 2g0k s LEU 97 Cb 0.04 -0.58 -0.03 0.00 -0.56 0.00 0.00 46.19 45.06 2g0k s LEU 97 CO -0.05 0.03 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.65 2g0k s SER 98 N 0.48 3.81 0.00 1.48 0.01 6.83 -2.86 113.70 123.45 2g0k s SER 98 Ca -0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2g0k s SER 98 Cb -0.12 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2g0k s SER 98 CO 0.01 0.25 0.00 -0.90 0.41 0.00 0.00 173.24 173.02 2g0k n ASP 99 N 1.54 0.00 -0.02 2.44 5.75 -0.95 0.29 116.55 125.60 2g0k n ASP 99 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.50 2g0k n ASP 99 Cb 0.52 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N -1.00 0.14 0.00 2.12 0.00 -1.92 -2.57 119.26 116.03 2g0k h ALA 100 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 100 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 100 CO 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 179.25 178.67 2g0k h ALA 101 N 0.86 1.03 -0.14 0.00 0.00 -1.95 -3.47 119.26 115.59 2g0k h ALA 101 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2g0k h ALA 101 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2g0k h ALA 101 CO -0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2g0k n GLY 102 N 0.14 0.83 3.64 0.00 0.00 -0.97 -5.12 105.19 103.71 2g0k n GLY 102 Ca -0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.81 4.40 0.12 1.61 4.22 -1.26 -4.73 114.94 117.49 2g0k s ASN 103 Ca 0.00 -0.76 -0.26 0.00 -2.14 0.00 0.00 52.86 49.70 2g0k s ASN 103 Cb 0.00 -0.72 0.08 0.00 1.28 0.00 0.00 41.25 41.89 2g0k s ASN 103 CO 0.00 -0.07 1.04 -0.83 -2.04 0.00 0.00 177.10 175.20 2g0k s GLY 104 N -3.69 -0.25 0.87 0.45 0.00 -1.25 -2.25 107.32 101.20 2g0k s GLY 104 Ca 0.33 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.15 2g0k s GLY 104 CO 0.20 0.16 1.10 2.56 0.00 0.00 0.00 173.10 177.12 2g0k s PRO 105 N -3.03 1.46 -0.42 2.90 0.04 -1.26 -4.47 135.00 130.23 2g0k s PRO 105 Ca 0.13 0.65 -0.39 0.00 0.04 0.00 0.00 61.00 61.44 2g0k s PRO 105 Cb -0.00 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 2g0k s PRO 105 CO 0.01 -2.06 1.41 0.39 0.04 0.00 0.00 177.00 176.80 2g0k n GLU 106 N -3.73 0.00 -0.93 4.56 1.02 -0.95 -4.59 120.64 116.02 2g0k n GLU 106 Ca 0.07 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 2g0k n GLU 106 Cb 0.56 -1.25 0.02 0.00 -0.02 0.00 0.00 31.44 30.76 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 3.88 -3.49 3.25 0.62 0.00 -1.26 -4.88 105.19 103.30 2g0k n GLY 107 Ca 0.30 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.69 4.31 -0.31 1.61 1.01 -0.81 -5.03 120.40 119.49 2g0k s VAL 108 Ca 0.39 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 2g0k s VAL 108 Cb -0.25 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2g0k s VAL 108 CO 0.65 -0.67 1.06 0.00 0.00 0.00 0.00 175.10 176.15 2g0k s ALA 109 N 1.41 3.53 0.33 5.51 0.00 -1.26 -1.97 121.76 129.30 2g0k s ALA 109 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.01 2g0k s ALA 109 Cb -0.25 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2g0k s ALA 109 CO 0.01 -1.41 0.11 0.44 0.00 0.00 0.00 175.76 174.90 2g0k n ILE 110 N 5.78 0.00 -3.79 0.00 -5.35 0.12 -4.96 119.36 111.15 2g0k n ILE 110 Ca 0.12 -1.88 -0.02 0.00 -0.27 0.00 0.00 62.75 60.70 2g0k n ILE 110 Cb 0.47 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.99 -0.07 -0.21 7.28 0.15 -1.13 -2.68 113.70 114.03 2g0k s SER 111 Ca 0.15 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2g0k s SER 111 Cb 0.01 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.79 2g0k s SER 111 CO 0.11 -0.79 -0.02 -0.36 1.20 0.00 0.00 173.24 173.38 2g0k s PHE 112 N -2.63 1.81 0.00 3.44 0.40 -1.24 -2.68 117.98 117.09 2g0k s PHE 112 Ca 0.17 -1.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.14 2g0k s PHE 112 Cb -0.01 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.18 2g0k s PHE 112 CO 0.02 -0.70 0.00 0.27 0.70 0.00 0.00 175.22 175.51