#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 2.00 1.15 0.00 0.00 -1.26 -4.77 121.76 118.88 2g0k s ALA 2 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2g0k s ALA 2 Cb 0.00 -0.92 0.23 0.00 0.00 0.00 0.00 23.12 22.42 2g0k s ALA 2 CO 0.00 -0.05 0.92 -0.35 0.00 0.00 0.00 175.76 176.27 2g0k n PRO 3 N 4.14 -2.29 -3.54 0.00 -0.04 -1.26 -4.16 135.00 127.85 2g0k n PRO 3 Ca -0.19 -1.45 -0.41 0.00 -0.04 0.00 0.00 63.50 61.40 2g0k n PRO 3 Cb 0.51 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 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 -2.76 4.98 0.21 0.52 -1.32 -0.78 -0.65 115.64 115.83 2g0k s THR 4 Ca 0.57 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 60.53 2g0k s THR 4 Cb -0.05 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 2g0k s THR 4 CO 0.43 -0.18 -0.13 0.00 -2.21 0.00 0.00 174.62 172.53 2g0k s ALA 5 N 1.64 1.98 -0.23 11.08 0.00 -1.24 0.61 121.76 135.60 2g0k s ALA 5 Ca 0.04 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.36 2g0k s ALA 5 Cb -0.18 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2g0k s ALA 5 CO 0.09 0.03 -0.14 0.95 0.00 0.00 0.00 175.76 176.69 2g0k s THR 6 N -3.02 2.09 0.05 0.00 -4.23 0.76 -4.85 115.64 106.43 2g0k s THR 6 Ca 0.23 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2g0k s THR 6 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2g0k s THR 6 CO 0.07 0.16 0.08 0.54 -0.54 0.00 0.00 174.62 174.93 2g0k s VAL 7 N 1.18 4.59 1.25 2.29 0.11 -1.25 -0.54 120.40 128.03 2g0k s VAL 7 Ca -0.04 -0.64 -0.20 0.00 -2.93 0.00 0.00 61.98 58.17 2g0k s VAL 7 Cb -0.18 -3.17 0.30 0.00 -1.53 0.00 0.00 36.38 31.81 2g0k s VAL 7 CO -0.08 0.21 1.07 0.28 -3.33 0.00 0.00 175.10 173.26 2g0k s THR 8 N -1.31 1.53 -0.23 5.04 -1.32 0.02 -4.87 115.64 114.50 2g0k s THR 8 Ca 0.27 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 2g0k s THR 8 Cb -0.12 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 8 CO 0.19 0.00 1.46 -2.16 -2.21 0.00 0.00 174.62 171.90 2g0k s PRO 9 N -5.32 3.92 -0.43 7.08 0.04 -1.26 -4.73 135.00 134.30 2g0k s PRO 9 Ca 0.70 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.34 2g0k s PRO 9 Cb -0.11 -3.94 0.45 0.00 0.04 0.00 0.00 34.50 30.94 2g0k s PRO 9 CO 0.57 -1.12 1.47 -1.13 0.04 0.00 0.00 177.00 176.82 2g0k n SER 10 N 7.82 5.83 -4.04 6.66 3.41 -1.26 -4.89 113.62 127.15 2g0k n SER 10 Ca 0.17 -3.76 -0.32 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.99 4.54 0.00 4.04 1.04 -1.23 -2.72 113.70 116.38 2g0k s SER 11 Ca 0.55 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2g0k s SER 11 Cb 0.44 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2g0k s SER 11 CO -0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2g0k n GLY 12 N 4.38 1.28 3.73 7.32 0.00 -1.24 -4.79 105.19 115.87 2g0k n GLY 12 Ca -0.07 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.02 4.11 0.41 0.99 1.43 -1.26 -4.88 118.68 119.46 2g0k s LEU 13 Ca 0.00 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2g0k s LEU 13 Cb 0.00 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2g0k s LEU 13 CO 0.00 0.23 0.43 -0.44 0.23 0.00 0.00 176.35 176.80 2g0k s SER 14 N 0.06 5.26 0.28 2.29 0.01 -1.26 -4.90 113.70 115.43 2g0k s SER 14 Ca 0.08 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.44 2g0k s SER 14 Cb -0.12 -0.64 -0.14 0.00 0.21 0.00 0.00 66.02 65.33 2g0k s SER 14 CO -0.00 -0.66 0.94 -0.90 0.41 0.00 0.00 173.24 173.03 2g0k n ASP 15 N -1.62 0.92 0.00 2.44 5.75 -1.26 -1.71 116.55 121.07 2g0k n ASP 15 Ca 0.04 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.99 2g0k n ASP 15 Cb 0.61 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 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 1.33 3.13 3.79 6.12 0.00 -1.26 -5.05 105.19 113.24 2g0k n GLY 16 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.81 3.74 -0.14 2.61 2.01 -0.69 -5.01 115.64 115.34 2g0k s THR 17 Ca 0.00 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2g0k s THR 17 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 17 CO 0.00 -0.06 -0.21 0.54 -0.69 0.00 0.00 174.62 174.20 2g0k s VAL 18 N -1.74 1.99 0.57 3.82 0.11 -1.26 -3.08 120.40 120.81 2g0k s VAL 18 Ca 0.60 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 2g0k s VAL 18 Cb -0.20 -1.77 0.03 0.00 -1.53 0.00 0.00 36.38 32.90 2g0k s VAL 18 CO 0.26 0.54 0.82 0.68 -3.33 0.00 0.00 175.10 174.06 2g0k s VAL 19 N 0.84 3.01 0.16 2.04 -7.23 -0.13 -4.91 120.40 114.19 2g0k s VAL 19 Ca -0.07 -0.45 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 2g0k s VAL 19 Cb -0.15 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2g0k s VAL 19 CO -0.02 -0.14 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.70 2g0k s LYS 20 N -4.85 1.73 -0.20 4.82 2.36 -1.26 -1.37 119.74 120.96 2g0k s LYS 20 Ca 0.55 -1.33 -0.04 0.00 -2.55 0.00 0.00 55.97 52.60 2g0k s LYS 20 Cb -0.10 -2.02 0.10 0.00 -1.05 0.00 0.00 37.83 34.76 2g0k s LYS 20 CO 0.40 0.44 0.35 0.54 1.55 0.00 0.00 175.35 178.64 2g0k s VAL 21 N -1.45 -0.55 -0.18 4.02 0.11 -0.05 -0.80 120.40 121.49 2g0k s VAL 21 Ca 0.20 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2g0k s VAL 21 Cb -0.09 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2g0k s VAL 21 CO 0.11 -0.03 -0.07 0.00 -3.33 0.00 0.00 175.10 171.78 2g0k s ALA 22 N 2.52 1.74 0.33 1.54 0.00 0.29 -1.74 121.76 126.45 2g0k s ALA 22 Ca 0.06 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2g0k s ALA 22 Cb -0.14 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 2g0k s ALA 22 CO -0.13 -0.83 0.80 0.20 0.00 0.00 0.00 175.76 175.81 2g0k s GLY 23 N 1.51 2.44 -0.18 0.00 0.00 -1.03 0.27 107.32 110.33 2g0k s GLY 23 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 2g0k s GLY 23 CO -0.08 0.46 0.23 0.00 0.00 0.00 0.00 173.10 173.72 2g0k s ALA 24 N -1.92 -0.35 0.00 3.20 0.00 2.61 -2.99 121.76 122.31 2g0k s ALA 24 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2g0k s ALA 24 Cb -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2g0k s ALA 24 CO 0.17 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2g0k n GLY 25 N 5.33 1.02 3.95 0.00 0.00 -1.15 -1.87 105.19 112.46 2g0k n GLY 25 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 3.15 -0.22 0.99 1.02 -1.08 -4.78 118.68 117.76 2g0k s LEU 26 Ca 0.00 0.24 -0.38 0.00 0.02 0.00 0.00 54.13 54.01 2g0k s LEU 26 Cb 0.00 -3.04 -0.14 0.00 0.02 0.00 0.00 46.19 43.03 2g0k s LEU 26 CO 0.00 -1.25 1.79 0.00 0.02 0.00 0.00 176.35 176.91 2g0k n GLN 27 N -2.54 1.50 -2.41 1.70 6.02 -1.26 -4.56 117.38 115.84 2g0k n GLN 27 Ca 0.07 0.55 -0.42 0.00 -0.01 0.00 0.00 57.00 57.19 2g0k n GLN 27 Cb 0.60 -2.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.53 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 3.74 3.41 0.00 -1.58 0.00 -1.26 -2.39 121.76 123.68 2g0k s ALA 28 Ca 0.97 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2g0k s ALA 28 Cb -0.94 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2g0k s ALA 28 CO 0.61 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.37 2g0k n GLY 29 N 2.90 0.45 3.85 0.00 0.00 -1.00 -4.93 105.19 106.46 2g0k n GLY 29 Ca 0.07 0.00 -0.38 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 -2.03 5.14 0.40 2.61 2.01 -1.00 -4.83 115.64 117.94 2g0k s THR 30 Ca 0.00 0.70 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 2g0k s THR 30 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2g0k s THR 30 CO 0.00 0.59 0.85 0.00 -0.69 0.00 0.00 174.62 175.36 2g0k s ALA 31 N -1.06 3.20 0.01 7.40 0.00 -1.26 -2.37 121.76 127.69 2g0k s ALA 31 Ca 0.22 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2g0k s ALA 31 Cb -0.16 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2g0k s ALA 31 CO 0.11 0.11 -0.05 0.71 0.00 0.00 0.00 175.76 176.64 2g0k s TYR 32 N -2.23 0.40 -0.30 0.00 2.02 -0.86 -3.73 117.35 112.65 2g0k s TYR 32 Ca 0.57 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.92 2g0k s TYR 32 Cb -0.10 -0.25 0.00 0.00 -0.40 0.00 0.00 41.96 41.21 2g0k s TYR 32 CO 0.21 -0.06 0.12 -0.51 -1.57 0.00 0.00 175.55 173.75 2g0k s ASP 33 N -0.75 5.37 -0.05 2.29 1.01 7.19 -3.25 116.67 128.48 2g0k s ASP 33 Ca -0.05 -0.61 -0.03 0.00 0.71 0.00 0.00 52.55 52.58 2g0k s ASP 33 Cb -0.05 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2g0k s ASP 33 CO -0.00 -0.20 0.09 -0.69 0.21 0.00 0.00 175.17 174.59 2g0k s VAL 34 N 1.56 4.94 0.13 -1.27 1.01 -0.70 1.62 120.40 127.69 2g0k s VAL 34 Ca 0.04 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 2g0k s VAL 34 Cb -0.17 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.08 2g0k s VAL 34 CO 0.05 0.46 1.05 -0.83 0.00 0.00 0.00 175.10 175.83 2g0k s GLY 35 N -1.43 -0.17 -0.22 4.51 0.00 3.53 -0.69 107.32 112.85 2g0k s GLY 35 Ca 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 2g0k s GLY 35 CO 0.10 0.78 -0.11 1.62 0.00 0.00 0.00 173.10 175.49 2g0k s GLN 36 N -2.81 2.95 0.38 2.90 0.74 -1.26 -0.30 119.66 122.27 2g0k s GLN 36 Ca 0.15 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.76 2g0k s GLN 36 Cb -0.00 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 2g0k s GLN 36 CO 0.02 -0.31 0.26 0.00 -0.55 0.00 0.00 175.29 174.71 2g0k s ALA 38 N -2.46 -1.07 0.05 0.00 0.00 0.31 -2.49 121.76 116.10 2g0k s ALA 38 Ca 0.43 1.50 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 2g0k s ALA 38 Cb -0.02 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 2g0k s ALA 38 CO 0.25 -0.45 1.59 -0.46 0.00 0.00 0.00 175.76 176.69 2g0k s TRP 39 N 1.87 2.52 -0.20 0.00 -0.00 -1.25 -0.65 118.94 121.23 2g0k s TRP 39 Ca -0.06 0.45 -0.03 0.00 -0.00 0.00 0.00 56.10 56.45 2g0k s TRP 39 Cb -0.10 -3.88 -0.11 0.00 -0.00 0.00 0.00 33.47 29.38 2g0k s TRP 39 CO -0.13 -3.50 -0.21 1.33 -0.00 0.00 0.00 176.95 174.45 2g0k n VAL 40 N 4.73 1.12 -4.04 5.86 0.24 -0.13 -4.79 118.33 121.32 2g0k n VAL 40 Ca 0.15 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.99 2g0k n VAL 40 Cb 0.41 -1.43 -0.09 0.00 -1.47 0.00 0.00 33.84 31.27 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 -6.28 0.23 -0.28 -1.34 1.01 0.36 -5.00 116.67 105.37 2g0k s ASP 41 Ca -0.27 -0.99 -0.35 0.00 0.71 0.00 0.00 52.55 51.65 2g0k s ASP 41 Cb 0.09 0.33 -0.12 0.00 1.01 0.00 0.00 42.92 44.23 2g0k s ASP 41 CO 0.41 -0.75 2.07 1.07 0.21 0.00 0.00 175.17 178.17 2g0k n THR 42 N -0.09 0.29 -0.97 -1.27 5.66 -1.26 0.18 114.28 116.83 2g0k n THR 42 Ca -0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2g0k n THR 42 Cb 0.63 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 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 5.73 0.36 2.90 1.09 0.00 -1.26 -4.96 105.19 109.05 2g0k n GLY 43 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 1.49 0.31 1.61 1.01 0.48 -5.11 120.40 118.39 2g0k s VAL 44 Ca 0.00 -1.44 0.10 0.00 0.00 0.00 0.00 61.98 60.64 2g0k s VAL 44 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2g0k s VAL 44 CO 0.00 -0.32 -0.03 -1.48 0.00 0.00 0.00 175.10 173.27 2g0k s LEU 45 N 1.37 2.95 -0.02 3.92 0.05 -1.26 0.14 118.68 125.82 2g0k s LEU 45 Ca 0.01 -0.93 0.05 0.00 0.05 0.00 0.00 54.13 53.31 2g0k s LEU 45 Cb -0.18 -1.38 -0.01 0.00 -2.05 0.00 0.00 46.19 42.57 2g0k s LEU 45 CO -0.10 -0.13 -0.17 0.00 -0.55 0.00 0.00 176.35 175.39 2g0k s ALA 46 N -2.48 1.48 0.10 1.48 0.00 0.18 -3.67 121.76 118.85 2g0k s ALA 46 Ca 0.33 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2g0k s ALA 46 Cb -0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2g0k s ALA 46 CO 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 175.76 176.27 2g0k s ASN 48 N -2.34 5.40 0.00 0.00 2.47 -1.03 0.35 114.94 119.78 2g0k s ASN 48 Ca 0.25 -1.20 0.20 0.00 0.42 0.00 0.00 52.86 52.53 2g0k s ASN 48 Cb -0.11 -1.90 1.18 0.00 -1.45 0.00 0.00 41.25 38.96 2g0k s ASN 48 CO 0.18 -0.37 1.57 -0.81 -3.72 0.00 0.00 177.10 173.95 2g0k n PRO 49 N 4.84 0.61 0.04 0.43 -0.04 -1.26 -2.10 135.00 137.52 2g0k n PRO 49 Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2g0k n PRO 49 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.01 3.02 -1.80 0.55 0.00 -1.26 -3.83 120.51 116.19 2g0k n ALA 50 Ca 0.15 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.38 2g0k n ALA 50 Cb 0.07 -1.18 0.12 0.00 0.00 0.00 0.00 19.45 18.46 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -1.93 1.44 -4.54 0.00 5.68 -0.89 -5.01 116.55 111.28 2g0k n ASP 51 Ca 0.04 -3.02 -0.42 0.00 -0.50 0.00 0.00 54.79 50.88 2g0k n ASP 51 Cb 0.41 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2g0k s PHE 52 N -1.92 2.68 0.48 2.11 0.08 -1.22 -4.11 117.98 116.07 2g0k s PHE 52 Ca 0.32 0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.57 2g0k s PHE 52 Cb 0.32 -4.29 0.03 0.00 -0.57 0.00 0.00 43.02 38.51 2g0k s PHE 52 CO -0.07 -1.51 0.62 0.45 -0.10 0.00 0.00 175.22 174.61 2g0k s SER 53 N 3.00 5.38 0.02 1.36 0.15 0.13 -4.99 113.70 118.76 2g0k s SER 53 Ca 0.35 -0.62 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 2g0k s SER 53 Cb -0.11 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2g0k s SER 53 CO 0.21 -0.96 0.16 -0.94 1.20 0.00 0.00 173.24 172.91 2g0k s SER 54 N -4.44 0.05 -0.05 5.45 1.04 -1.26 -2.39 113.70 112.10 2g0k s SER 54 Ca 0.56 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 2g0k s SER 54 Cb -0.08 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.40 2g0k s SER 54 CO 0.34 -0.48 0.91 0.54 0.98 0.00 0.00 173.24 175.53 2g0k s VAL 55 N -2.14 0.00 -0.02 5.02 0.11 -1.20 -4.97 120.40 117.19 2g0k s VAL 55 Ca -0.09 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 55 Cb -0.03 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2g0k s VAL 55 CO -0.02 0.00 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -2.40 1.37 0.45 5.04 2.01 -1.26 -2.03 115.64 118.82 2g0k s THR 56 Ca 0.02 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 2g0k s THR 56 Cb -0.01 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 2g0k s THR 56 CO -0.05 0.39 1.02 0.00 -0.69 0.00 0.00 174.62 175.30 2g0k s ALA 57 N -0.25 2.95 0.79 7.40 0.00 -1.00 -4.74 121.76 126.92 2g0k s ALA 57 Ca 0.03 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2g0k s ALA 57 Cb -0.08 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.87 2g0k s ALA 57 CO 0.00 -0.20 0.42 -0.40 0.00 0.00 0.00 175.76 175.58 2g0k n ASP 58 N -0.68 0.23 0.30 0.00 5.68 -0.70 -2.47 116.55 118.90 2g0k n ASP 58 Ca 0.08 -1.27 0.17 0.00 -0.50 0.00 0.00 54.79 53.27 2g0k n ASP 58 Cb 0.52 -0.31 0.93 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 -1.31 1.22 0.00 2.12 0.00 -1.92 0.14 119.26 119.51 2g0k h ALA 59 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 59 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2g0k h ALA 59 CO 0.12 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2g0k n ASN 60 N -3.46 0.00 -0.88 0.00 4.13 -1.26 -4.83 115.26 108.97 2g0k n ASN 60 Ca -0.02 0.18 -0.07 0.00 1.68 0.00 0.00 54.58 56.35 2g0k n ASN 60 Cb 0.15 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 1.04 0.17 3.14 7.41 0.00 0.45 -4.75 105.19 112.66 2g0k n GLY 61 Ca 0.10 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.78 1.93 0.29 1.61 1.04 -1.26 -2.62 113.70 111.92 2g0k s SER 62 Ca 0.03 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.22 2g0k s SER 62 Cb -0.02 -0.28 -0.06 0.00 0.10 0.00 0.00 66.02 65.76 2g0k s SER 62 CO 0.04 0.19 -0.03 0.00 0.98 0.00 0.00 173.24 174.42 2g0k s ALA 63 N -0.29 2.37 -0.16 5.32 0.00 -1.16 -1.73 121.76 126.12 2g0k s ALA 63 Ca 0.04 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 2g0k s ALA 63 Cb -0.07 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.39 2g0k s ALA 63 CO -0.00 -0.12 0.37 -1.54 0.00 0.00 0.00 175.76 174.47 2g0k s SER 64 N -3.46 -0.38 0.04 0.00 1.04 -1.26 -2.48 113.70 107.20 2g0k s SER 64 Ca 0.31 0.83 -0.27 0.00 0.48 0.00 0.00 55.95 57.30 2g0k s SER 64 Cb 0.05 0.79 0.09 0.00 0.10 0.00 0.00 66.02 67.05 2g0k s SER 64 CO 0.13 -0.20 0.74 -0.89 0.98 0.00 0.00 173.24 174.00 2g0k s THR 65 N 1.63 0.00 -0.12 2.02 2.01 -0.71 -4.94 115.64 115.54 2g0k s THR 65 Ca -0.08 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2g0k s THR 65 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 65 CO -0.12 0.00 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.33 2g0k s SER 66 N -2.18 4.79 -0.23 3.53 0.01 -1.26 -0.87 113.70 117.48 2g0k s SER 66 Ca -0.01 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 2g0k s SER 66 Cb -0.01 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 2g0k s SER 66 CO -0.06 0.26 -0.03 -0.22 0.41 0.00 0.00 173.24 173.61 2g0k s LEU 67 N -0.21 3.03 0.02 2.44 1.98 -0.47 -4.90 118.68 120.56 2g0k s LEU 67 Ca 0.04 -0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 50.53 2g0k s LEU 67 Cb -0.13 -1.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 2g0k s LEU 67 CO 0.02 -0.04 1.19 0.28 -1.89 0.00 0.00 176.35 175.91 2g0k s THR 68 N 1.48 4.15 -0.20 3.68 -1.32 -1.26 -0.95 115.64 121.21 2g0k s THR 68 Ca 0.05 1.53 -0.08 0.00 -1.21 0.00 0.00 61.69 61.98 2g0k s THR 68 Cb -0.15 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 66.82 2g0k s THR 68 CO -0.03 0.08 0.09 0.54 -2.21 0.00 0.00 174.62 173.09 2g0k s VAL 69 N 1.47 4.91 0.11 5.08 0.11 -1.18 -4.84 120.40 126.06 2g0k s VAL 69 Ca 0.58 0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.72 2g0k s VAL 69 Cb -0.27 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2g0k s VAL 69 CO 0.27 0.43 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.19 2g0k s ARG 70 N 0.61 1.96 0.30 1.54 3.00 -1.26 -4.25 118.95 120.85 2g0k s ARG 70 Ca 0.05 -1.10 0.25 0.00 0.00 0.00 0.00 55.73 54.93 2g0k s ARG 70 Cb -0.13 -2.21 0.73 0.00 0.00 0.00 0.00 34.95 33.34 2g0k s ARG 70 CO 0.01 0.49 1.74 0.07 0.00 0.00 0.00 175.30 177.61 2g0k h ARG 71 N 3.67 0.00 -1.91 3.54 -0.00 -1.91 -3.41 114.38 114.36 2g0k h ARG 71 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.46 2g0k h ARG 71 Cb 1.17 0.00 -0.20 0.00 -0.00 0.00 0.00 29.97 30.94 2g0k h ARG 71 CO 0.49 0.00 0.25 -1.54 -0.00 0.00 0.00 179.97 179.17 2g0k s SER 72 N -5.04 -0.61 -0.28 0.08 1.04 -1.26 -0.42 113.70 107.21 2g0k s SER 72 Ca 0.08 0.75 -0.29 0.00 0.48 0.00 0.00 55.95 56.98 2g0k s SER 72 Cb 0.10 0.61 0.19 0.00 0.10 0.00 0.00 66.02 67.01 2g0k s SER 72 CO 0.59 -0.51 1.34 0.72 0.98 0.00 0.00 173.24 176.36 2g0k s PHE 73 N -0.97 -0.06 -0.23 5.02 -0.12 -0.76 -4.94 117.98 115.92 2g0k s PHE 73 Ca -0.08 0.12 -0.35 0.00 -0.05 0.00 0.00 56.93 56.57 2g0k s PHE 73 Cb -0.01 0.49 -0.11 0.00 -0.63 0.00 0.00 43.02 42.76 2g0k s PHE 73 CO 0.07 -0.06 2.02 -0.85 -0.05 0.00 0.00 175.22 176.36 2g0k n GLU 74 N 0.68 1.59 -2.32 1.99 0.00 -1.26 -0.17 120.64 121.14 2g0k n GLU 74 Ca -0.02 0.52 -0.37 0.00 0.00 0.00 0.00 57.16 57.29 2g0k n GLU 74 Cb 0.59 -2.57 -0.03 0.00 0.00 0.00 0.00 31.44 29.42 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 5.75 0.67 -0.70 -1.84 0.00 0.14 -4.04 107.32 107.30 2g0k s GLY 75 Ca 1.01 -1.48 -0.25 0.00 0.00 0.00 0.00 44.72 43.99 2g0k s GLY 75 CO 0.51 3.03 1.15 -1.36 0.00 0.00 0.00 173.10 176.43 2g0k s PHE 76 N 7.29 2.45 0.32 1.90 0.08 1.08 -0.99 117.98 130.10 2g0k s PHE 76 Ca 0.53 -0.20 -0.28 0.00 0.12 0.00 0.00 56.93 57.10 2g0k s PHE 76 Cb -0.07 -4.48 -0.13 0.00 -0.57 0.00 0.00 43.02 37.77 2g0k s PHE 76 CO 0.06 -1.88 1.24 -0.11 -0.10 0.00 0.00 175.22 174.43 2g0k n LEU 77 N 8.67 3.08 -0.32 -0.37 7.94 0.12 0.20 117.00 136.32 2g0k n LEU 77 Ca 0.01 1.19 0.16 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.48 -1.43 0.35 0.00 0.53 0.00 0.00 43.42 43.35 2g0k n LEU 77 CO 0.68 -0.70 1.09 -0.26 -1.11 0.00 0.00 177.39 177.09 2g0k h PHE 78 N 2.64 0.79 0.00 1.96 -1.00 -1.87 1.67 116.94 121.12 2g0k h PHE 78 Ca -0.44 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.38 2g0k h PHE 78 Cb 1.30 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2g0k h PHE 78 CO 0.51 -0.04 0.16 0.22 -1.61 0.00 0.00 178.31 177.54 2g0k h ASP 79 N 0.43 0.00 0.00 2.17 3.58 -1.93 -3.44 116.42 117.24 2g0k h ASP 79 Ca 0.61 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.06 2g0k h ASP 79 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2g0k h ASP 79 CO -0.53 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.44 2g0k n GLY 80 N -1.23 1.49 3.60 -0.78 0.00 0.57 -5.09 105.19 103.75 2g0k n GLY 80 Ca -0.02 -0.20 -0.33 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 3.77 -0.89 2.61 2.01 -1.12 -4.89 115.64 115.13 2g0k s THR 81 Ca 0.00 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 2g0k s THR 81 Cb 0.00 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.96 2g0k s THR 81 CO 0.00 0.52 1.45 -0.60 -0.69 0.00 0.00 174.62 175.30 2g0k s ARG 82 N -1.05 3.32 0.05 4.92 3.52 -1.26 0.13 118.95 128.57 2g0k s ARG 82 Ca 0.14 -0.64 -0.31 0.00 -0.13 0.00 0.00 55.73 54.79 2g0k s ARG 82 Cb -0.11 -4.85 -0.18 0.00 -1.56 0.00 0.00 34.95 28.25 2g0k s ARG 82 CO 0.04 -2.30 1.45 2.35 -0.81 0.00 0.00 175.30 176.03 2g0k h TRP 83 N 10.27 -0.79 0.00 5.12 2.91 -1.41 -3.48 115.95 128.56 2g0k h TRP 83 Ca -0.01 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2g0k h TRP 83 Cb 1.03 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 2g0k h TRP 83 CO 1.21 -0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.57 2g0k n GLY 84 N -1.12 2.61 3.59 2.65 0.00 -1.23 -4.97 105.19 106.73 2g0k n GLY 84 Ca -0.13 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.35 0.27 -2.39 2.61 -1.04 -1.26 0.23 114.28 111.34 2g0k n THR 85 Ca 0.00 -0.51 -0.32 0.00 -2.04 0.00 0.00 64.05 61.18 2g0k n THR 85 Cb 0.00 -2.57 -0.03 0.00 -1.82 0.00 0.00 70.33 65.90 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 8.89 4.40 -0.35 12.58 1.01 0.76 -4.83 120.40 142.87 2g0k s VAL 86 Ca 1.01 1.19 0.01 0.00 0.00 0.00 0.00 61.98 64.19 2g0k s VAL 86 Cb -0.33 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.50 2g0k s VAL 86 CO 0.34 -0.62 0.13 -1.81 0.00 0.00 0.00 175.10 173.14 2g0k s ASP 87 N -2.92 4.02 0.56 3.32 1.01 -1.26 -1.82 116.67 119.58 2g0k s ASP 87 Ca 0.60 -1.95 0.28 0.00 0.71 0.00 0.00 52.55 52.19 2g0k s ASP 87 Cb -0.11 -1.00 1.47 0.00 1.01 0.00 0.00 42.92 44.29 2g0k s ASP 87 CO 0.30 -0.37 1.94 0.00 0.21 0.00 0.00 175.17 177.24 2g0k n THR 89 N -4.04 0.01 -0.00 0.00 -2.24 -1.24 -3.17 114.28 103.59 2g0k n THR 89 Ca 0.11 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2g0k n THR 89 Cb 0.70 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.06 -4.17 4.28 -1.04 0.50 -5.08 114.28 107.81 2g0k n THR 90 Ca 0.21 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 62.09 2g0k n THR 90 Cb 0.11 -0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 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 -1.94 0.19 -2.78 2.41 0.00 0.14 -5.05 120.51 113.48 2g0k n ALA 91 Ca -0.02 -0.69 -0.36 0.00 0.00 0.00 0.00 53.44 52.37 2g0k n ALA 91 Cb 0.44 0.47 -0.10 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.37 3.45 0.24 0.00 0.00 -1.26 -4.55 121.76 117.27 2g0k s ALA 92 Ca 0.07 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2g0k s ALA 92 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 2g0k s ALA 92 CO 0.05 -0.16 0.25 0.00 0.00 0.00 0.00 175.76 175.90 2g0k s GLN 94 N -3.86 0.76 0.22 0.00 -2.07 -1.04 0.22 119.66 113.90 2g0k s GLN 94 Ca 0.33 0.43 0.08 0.00 -1.82 0.00 0.00 55.36 54.38 2g0k s GLN 94 Cb -0.08 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2g0k s GLN 94 CO 0.26 -0.17 0.06 0.08 -1.32 0.00 0.00 175.29 174.20 2g0k s VAL 95 N -0.45 3.87 -0.08 3.63 1.01 -1.05 -1.15 120.40 126.19 2g0k s VAL 95 Ca -0.06 -1.56 -0.32 0.00 0.00 0.00 0.00 61.98 60.04 2g0k s VAL 95 Cb -0.03 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.45 2g0k s VAL 95 CO 0.04 -0.26 1.35 -0.83 0.00 0.00 0.00 175.10 175.40 2g0k s GLY 96 N -3.43 -0.43 -0.02 4.51 0.00 0.59 -3.71 107.32 104.84 2g0k s GLY 96 Ca 0.30 0.96 0.06 0.00 0.00 0.00 0.00 44.72 46.04 2g0k s GLY 96 CO 0.21 0.21 -0.19 0.48 0.00 0.00 0.00 173.10 173.81 2g0k s LEU 97 N -2.86 2.03 0.10 0.66 2.34 0.50 0.72 118.68 122.17 2g0k s LEU 97 Ca 0.14 -0.34 0.09 0.00 0.06 0.00 0.00 54.13 54.08 2g0k s LEU 97 Cb 0.05 -0.98 -0.04 0.00 -0.56 0.00 0.00 46.19 44.67 2g0k s LEU 97 CO -0.05 0.23 -0.24 -0.94 -1.06 0.00 0.00 176.35 174.29 2g0k s SER 98 N -0.42 2.90 0.00 1.48 1.04 18.89 -2.95 113.70 134.64 2g0k s SER 98 Ca 0.07 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2g0k s SER 98 Cb -0.08 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2g0k s SER 98 CO -0.01 0.13 0.00 -0.90 0.98 0.00 0.00 173.24 173.45 2g0k n ASP 99 N 1.15 0.76 -0.04 7.02 5.75 -1.02 1.04 116.55 131.21 2g0k n ASP 99 Ca -0.18 -0.16 -0.13 0.00 -0.01 0.00 0.00 54.79 54.31 2g0k n ASP 99 Cb 0.53 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 -0.09 0.13 0.00 2.12 0.00 -1.92 -2.85 119.26 116.65 2g0k h ALA 100 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.03 2g0k h ALA 101 N 0.63 1.17 -0.82 0.00 0.00 -1.96 -3.46 119.26 114.81 2g0k h ALA 101 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2g0k h ALA 101 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2g0k h ALA 101 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2g0k n GLY 102 N -0.43 0.58 3.36 0.00 0.00 -1.08 -5.12 105.19 102.51 2g0k n GLY 102 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.89 2.08 0.09 1.61 6.03 -1.26 -4.83 114.94 116.77 2g0k s ASN 103 Ca 0.00 -1.23 -0.26 0.00 -1.03 0.00 0.00 52.86 50.35 2g0k s ASN 103 Cb 0.00 -0.04 0.09 0.00 -3.03 0.00 0.00 41.25 38.27 2g0k s ASN 103 CO 0.00 -0.48 1.15 -0.83 -2.03 0.00 0.00 177.10 174.91 2g0k s GLY 104 N -3.35 -0.05 0.76 0.45 0.00 -1.26 -2.42 107.32 101.45 2g0k s GLY 104 Ca 0.29 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 2g0k s GLY 104 CO 0.10 3.19 1.08 2.56 0.00 0.00 0.00 173.10 180.03 2g0k s PRO 105 N -2.21 2.38 -0.04 2.90 0.04 -1.26 -4.06 135.00 132.74 2g0k s PRO 105 Ca 0.23 0.98 -0.34 0.00 0.04 0.00 0.00 61.00 61.92 2g0k s PRO 105 Cb -0.01 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 2g0k s PRO 105 CO 0.02 -1.50 0.94 -0.85 0.04 0.00 0.00 177.00 175.64 2g0k n GLU 106 N -3.41 0.00 -1.40 4.56 0.28 0.18 -4.45 120.64 116.40 2g0k n GLU 106 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 2g0k n GLU 106 Cb 0.54 -1.25 0.03 0.00 1.43 0.00 0.00 31.44 32.19 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 1.47 -1.94 2.96 -1.84 0.00 -1.26 -4.83 105.19 99.75 2g0k n GLY 107 Ca 0.18 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.80 1.45 0.08 1.61 1.01 -1.24 -5.09 120.40 116.41 2g0k s VAL 108 Ca 0.65 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 2g0k s VAL 108 Cb -0.45 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 2g0k s VAL 108 CO 0.58 0.17 0.43 0.00 0.00 0.00 0.00 175.10 176.28 2g0k s ALA 109 N 1.49 3.69 0.39 5.51 0.00 -1.26 -2.52 121.76 129.06 2g0k s ALA 109 Ca -0.00 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.74 2g0k s ALA 109 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2g0k s ALA 109 CO -0.08 0.52 0.28 0.42 0.00 0.00 0.00 175.76 176.90 2g0k s ILE 110 N -1.34 2.76 -0.23 0.00 1.01 0.60 -4.91 121.20 119.08 2g0k s ILE 110 Ca 0.32 -1.49 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 2g0k s ILE 110 Cb -0.15 -3.02 0.10 0.00 0.01 0.00 0.00 42.46 39.40 2g0k s ILE 110 CO 0.17 -0.05 0.51 -0.55 0.00 0.00 0.00 174.94 175.01 2g0k s SER 111 N -4.01 -0.59 -0.15 3.58 0.15 -1.10 -4.15 113.70 107.43 2g0k s SER 111 Ca 0.44 1.20 -0.15 0.00 0.70 0.00 0.00 55.95 58.13 2g0k s SER 111 Cb -0.02 1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.86 2g0k s SER 111 CO 0.26 -0.23 0.35 -0.36 1.20 0.00 0.00 173.24 174.46 2g0k s PHE 112 N 2.57 3.47 0.00 3.44 0.40 -1.26 -3.53 117.98 123.07 2g0k s PHE 112 Ca -0.04 0.68 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 2g0k s PHE 112 Cb -0.11 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 41.00 2g0k s PHE 112 CO -0.15 0.20 0.00 0.27 0.70 0.00 0.00 175.22 176.24