#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 0.80 1.14 0.00 0.00 -1.26 -4.55 121.76 117.90 2g0k s ALA 2 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 2g0k s ALA 2 Cb 0.00 -1.15 0.22 0.00 0.00 0.00 0.00 23.12 22.19 2g0k s ALA 2 CO 0.00 -1.21 0.89 -0.35 0.00 0.00 0.00 175.76 175.09 2g0k n PRO 3 N 5.13 -2.23 -3.35 0.00 -0.04 -1.26 -4.18 135.00 129.07 2g0k n PRO 3 Ca -0.08 -1.40 -0.43 0.00 -0.04 0.00 0.00 63.50 61.55 2g0k n PRO 3 Cb 0.47 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 -2.71 5.12 -0.05 0.52 2.01 -0.72 -1.93 115.64 117.89 2g0k s THR 4 Ca 0.55 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2g0k s THR 4 Cb -0.04 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2g0k s THR 4 CO 0.42 -0.41 -0.16 0.00 -0.69 0.00 0.00 174.62 173.78 2g0k s ALA 5 N 2.03 1.45 -0.35 7.40 0.00 -1.24 0.52 121.76 131.57 2g0k s ALA 5 Ca 0.10 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2g0k s ALA 5 Cb -0.18 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2g0k s ALA 5 CO 0.13 0.22 0.36 0.95 0.00 0.00 0.00 175.76 177.42 2g0k s THR 6 N 0.23 5.17 0.19 0.00 -4.23 0.91 -4.77 115.64 113.15 2g0k s THR 6 Ca -0.08 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.48 2g0k s THR 6 Cb -0.13 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2g0k s THR 6 CO 0.03 -0.13 0.05 0.68 -0.54 0.00 0.00 174.62 174.72 2g0k s VAL 7 N 2.00 3.95 1.17 2.29 -7.23 -1.25 -0.06 120.40 121.27 2g0k s VAL 7 Ca 0.11 -1.39 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 2g0k s VAL 7 Cb -0.17 -3.03 0.27 0.00 0.56 0.00 0.00 36.38 34.02 2g0k s VAL 7 CO 0.12 -0.16 1.07 0.28 -0.31 0.00 0.00 175.10 176.09 2g0k s THR 8 N -1.84 1.72 -0.18 5.32 -1.32 -0.08 -4.86 115.64 114.39 2g0k s THR 8 Ca 0.29 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 2g0k s THR 8 Cb -0.09 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 2g0k s THR 8 CO 0.21 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.88 2g0k s PRO 9 N -5.12 4.08 -0.45 7.08 0.04 -1.26 -4.69 135.00 134.68 2g0k s PRO 9 Ca 0.69 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.48 2g0k s PRO 9 Cb -0.15 -3.89 0.43 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.58 -0.93 1.27 0.45 0.04 0.00 0.00 177.00 178.41 2g0k n SER 10 N 7.27 5.20 -3.93 6.66 2.88 -1.26 -4.90 113.62 125.53 2g0k n SER 10 Ca 0.16 -3.74 -0.31 0.00 -1.33 0.00 0.00 58.87 53.65 2g0k n SER 10 Cb 0.45 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.24 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 11 N -3.23 4.19 0.00 -3.46 1.04 -1.16 -1.50 113.70 109.58 2g0k s SER 11 Ca 0.50 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2g0k s SER 11 Cb 0.41 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2g0k s SER 11 CO -0.14 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2g0k n GLY 12 N 4.57 1.18 3.77 7.32 0.00 -1.16 -4.68 105.19 116.18 2g0k n GLY 12 Ca -0.06 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 4.30 0.30 0.99 1.43 -1.26 -4.74 118.68 119.70 2g0k s LEU 13 Ca 0.00 0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 2g0k s LEU 13 Cb 0.00 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 2g0k s LEU 13 CO 0.00 0.20 0.43 -0.94 0.23 0.00 0.00 176.35 176.28 2g0k s SER 14 N -0.06 6.10 0.29 2.29 1.04 -1.26 -4.82 113.70 117.28 2g0k s SER 14 Ca 0.16 -0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 2g0k s SER 14 Cb -0.13 -1.47 -0.14 0.00 0.10 0.00 0.00 66.02 64.37 2g0k s SER 14 CO 0.04 -0.30 0.82 -0.90 0.98 0.00 0.00 173.24 173.88 2g0k n ASP 15 N -1.57 0.33 0.00 7.02 5.75 -1.26 -1.83 116.55 125.00 2g0k n ASP 15 Ca -0.03 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.87 2g0k n ASP 15 Cb 0.58 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 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 1.50 3.11 3.78 6.12 0.00 -1.24 -5.02 105.19 113.44 2g0k n GLY 16 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 3.36 -0.19 2.61 2.01 -0.76 -4.95 115.64 114.95 2g0k s THR 17 Ca 0.00 0.84 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2g0k s THR 17 Cb 0.00 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.20 2g0k s THR 17 CO 0.00 -0.19 -0.17 0.54 -0.69 0.00 0.00 174.62 174.11 2g0k s VAL 18 N -1.86 1.96 0.67 3.82 0.11 -1.26 -2.34 120.40 121.49 2g0k s VAL 18 Ca 0.71 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2g0k s VAL 18 Cb -0.21 -1.84 0.05 0.00 -1.53 0.00 0.00 36.38 32.85 2g0k s VAL 18 CO 0.25 0.42 0.96 0.68 -3.33 0.00 0.00 175.10 174.09 2g0k s VAL 19 N 1.31 2.51 0.17 2.04 -7.23 0.79 -4.91 120.40 115.08 2g0k s VAL 19 Ca 0.03 -0.30 0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2g0k s VAL 19 Cb -0.14 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2g0k s VAL 19 CO -0.11 -0.06 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.63 2g0k s LYS 20 N -5.14 1.45 -0.19 4.82 2.36 -1.26 -1.55 119.74 120.23 2g0k s LYS 20 Ca 0.59 -1.45 -0.04 0.00 -2.55 0.00 0.00 55.97 52.52 2g0k s LYS 20 Cb -0.11 -1.79 0.09 0.00 -1.05 0.00 0.00 37.83 34.98 2g0k s LYS 20 CO 0.44 0.40 0.26 0.54 1.55 0.00 0.00 175.35 178.53 2g0k s VAL 21 N -1.53 -0.39 -0.19 4.02 0.11 -0.84 -0.91 120.40 120.66 2g0k s VAL 21 Ca 0.18 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2g0k s VAL 21 Cb -0.08 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2g0k s VAL 21 CO 0.08 -0.09 -0.13 0.00 -3.33 0.00 0.00 175.10 171.64 2g0k s ALA 22 N 2.39 2.10 0.24 1.54 0.00 0.91 -2.23 121.76 126.71 2g0k s ALA 22 Ca 0.06 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 2g0k s ALA 22 Cb -0.15 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 2g0k s ALA 22 CO -0.11 -0.71 0.79 0.20 0.00 0.00 0.00 175.76 175.93 2g0k s GLY 23 N 1.36 2.70 -0.17 0.00 0.00 -1.03 0.31 107.32 110.48 2g0k s GLY 23 Ca -0.00 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.96 2g0k s GLY 23 CO -0.09 0.68 0.22 0.00 0.00 0.00 0.00 173.10 173.91 2g0k s ALA 24 N -1.50 -0.29 0.00 3.20 0.00 1.98 -3.21 121.76 121.94 2g0k s ALA 24 Ca 0.44 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2g0k s ALA 24 Cb -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2g0k s ALA 24 CO 0.22 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2g0k n GLY 25 N 5.32 0.97 2.62 0.00 0.00 -1.20 -1.75 105.19 111.15 2g0k n GLY 25 Ca -0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 2g0k n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0k n LEU 26 N 0.00 0.00 -4.69 0.99 4.32 -1.11 -4.75 117.00 111.77 2g0k n LEU 26 Ca 0.00 -1.37 -0.42 0.00 -0.02 0.00 0.00 56.01 54.20 2g0k n LEU 26 Cb 0.00 -0.47 -0.03 0.00 -1.62 0.00 0.00 43.42 41.30 2g0k n LEU 26 CO 0.00 -0.87 1.12 -1.10 -1.22 0.00 0.00 177.39 175.32 2g0k s GLN 27 N -4.32 4.28 0.02 3.23 -0.21 -1.26 -4.64 119.66 116.76 2g0k s GLN 27 Ca 0.46 1.95 -0.30 0.00 0.02 0.00 0.00 55.36 57.48 2g0k s GLN 27 Cb -0.02 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 2g0k s GLN 27 CO 0.30 -0.58 1.25 0.00 -2.12 0.00 0.00 175.29 174.14 2g0k s ALA 28 N 2.48 3.47 0.00 6.09 0.00 -1.26 -2.30 121.76 130.24 2g0k s ALA 28 Ca 0.63 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2g0k s ALA 28 Cb -0.31 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2g0k s ALA 28 CO 0.26 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2g0k n GLY 29 N 3.36 0.64 3.83 0.00 0.00 0.61 -4.92 105.19 108.71 2g0k n GLY 29 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 30 N -2.54 4.74 0.07 2.61 2.01 -0.97 -4.81 115.64 116.75 2g0k s THR 30 Ca 0.00 1.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.90 2g0k s THR 30 Cb 0.00 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2g0k s THR 30 CO 0.00 0.30 0.50 0.00 -0.69 0.00 0.00 174.62 174.73 2g0k s ALA 31 N -1.40 3.63 0.04 7.40 0.00 -1.26 -1.67 121.76 128.50 2g0k s ALA 31 Ca 0.37 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2g0k s ALA 31 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 2g0k s ALA 31 CO 0.20 0.46 -0.12 0.71 0.00 0.00 0.00 175.76 177.00 2g0k s TYR 32 N -1.23 1.07 -0.29 0.00 2.02 -0.87 -3.73 117.35 114.33 2g0k s TYR 32 Ca 0.30 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2g0k s TYR 32 Cb -0.17 -0.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.78 2g0k s TYR 32 CO 0.17 0.02 0.02 -0.51 -1.57 0.00 0.00 175.55 173.68 2g0k s ASP 33 N -1.16 4.86 0.03 2.29 1.01 2.26 -3.02 116.67 122.94 2g0k s ASP 33 Ca -0.00 -0.95 -0.09 0.00 0.71 0.00 0.00 52.55 52.22 2g0k s ASP 33 Cb -0.08 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.02 2g0k s ASP 33 CO 0.01 -0.21 0.33 -0.69 0.21 0.00 0.00 175.17 174.83 2g0k s VAL 34 N 1.38 5.20 -0.06 -1.27 1.01 0.96 1.19 120.40 128.80 2g0k s VAL 34 Ca -0.01 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 2g0k s VAL 34 Cb -0.18 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.71 2g0k s VAL 34 CO -0.00 0.35 1.12 -0.83 0.00 0.00 0.00 175.10 175.74 2g0k s GLY 35 N -1.66 -0.35 -0.38 4.51 0.00 4.66 -0.51 107.32 113.58 2g0k s GLY 35 Ca 0.29 1.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.97 2g0k s GLY 35 CO 0.16 0.31 0.18 1.62 0.00 0.00 0.00 173.10 175.38 2g0k s GLN 36 N -2.71 2.65 -0.04 2.90 0.74 -1.25 -0.15 119.66 121.79 2g0k s GLN 36 Ca 0.10 -1.27 0.00 0.00 0.05 0.00 0.00 55.36 54.24 2g0k s GLN 36 Cb 0.00 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 2g0k s GLN 36 CO -0.05 -0.78 -0.01 0.00 -0.55 0.00 0.00 175.29 173.91 2g0k s ALA 38 N -0.97 1.89 0.07 0.00 0.00 0.46 -2.42 121.76 120.80 2g0k s ALA 38 Ca 0.16 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 2g0k s ALA 38 Cb -0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 2g0k s ALA 38 CO 0.06 0.45 1.68 -0.46 0.00 0.00 0.00 175.76 177.49 2g0k s TRP 39 N -0.46 2.35 -0.21 0.00 -0.00 -1.26 -0.03 118.94 119.33 2g0k s TRP 39 Ca 0.07 0.25 -0.10 0.00 -0.00 0.00 0.00 56.10 56.32 2g0k s TRP 39 Cb -0.09 -4.00 -0.09 0.00 -0.00 0.00 0.00 33.47 29.29 2g0k s TRP 39 CO -0.00 -4.04 -0.26 0.28 -0.00 0.00 0.00 176.95 172.92 2g0k n VAL 40 N 4.76 1.13 -4.26 5.86 0.31 0.15 -4.83 118.33 121.44 2g0k n VAL 40 Ca 0.16 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 2g0k n VAL 40 Cb 0.40 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.47 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2g0k s ASP 41 N -6.82 1.01 -0.32 4.52 -1.08 0.36 -4.99 116.67 109.35 2g0k s ASP 41 Ca -0.29 -1.30 -0.36 0.00 -0.52 0.00 0.00 52.55 50.08 2g0k s ASP 41 Cb 0.11 0.18 -0.12 0.00 -1.46 0.00 0.00 42.92 41.63 2g0k s ASP 41 CO 0.36 -0.69 2.09 1.07 0.52 0.00 0.00 175.17 178.53 2g0k n THR 42 N -0.34 0.23 -0.95 1.71 5.66 -1.26 0.22 114.28 119.55 2g0k n THR 42 Ca -0.02 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2g0k n THR 42 Cb 0.65 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 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 6.05 0.32 3.05 1.09 0.00 -1.26 -4.97 105.19 109.48 2g0k n GLY 43 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.76 1.85 -0.04 1.61 1.01 0.59 -5.09 120.40 118.58 2g0k s VAL 44 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2g0k s VAL 44 Cb 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2g0k s VAL 44 CO 0.00 0.30 -0.17 -1.48 0.00 0.00 0.00 175.10 173.75 2g0k s LEU 45 N 1.33 1.92 0.42 3.92 2.34 -1.26 0.13 118.68 127.48 2g0k s LEU 45 Ca 0.00 -0.35 -0.03 0.00 0.06 0.00 0.00 54.13 53.81 2g0k s LEU 45 Cb -0.15 -0.97 -0.04 0.00 -0.56 0.00 0.00 46.19 44.47 2g0k s LEU 45 CO -0.10 0.16 0.68 0.00 -1.06 0.00 0.00 176.35 176.03 2g0k s ALA 46 N 0.02 3.52 0.15 1.48 0.00 0.95 -2.95 121.76 124.92 2g0k s ALA 46 Ca -0.03 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.38 2g0k s ALA 46 Cb -0.11 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2g0k s ALA 46 CO 0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 175.76 175.44 2g0k s ASN 48 N -2.43 5.20 0.00 0.00 2.47 -0.86 0.38 114.94 119.70 2g0k s ASN 48 Ca 0.21 -1.52 0.20 0.00 0.42 0.00 0.00 52.86 52.17 2g0k s ASN 48 Cb -0.10 -1.82 1.14 0.00 -1.45 0.00 0.00 41.25 39.03 2g0k s ASN 48 CO 0.12 -0.40 1.58 -0.81 -3.72 0.00 0.00 177.10 173.86 2g0k n PRO 49 N 4.69 0.55 0.00 0.43 -0.04 -1.26 -2.00 135.00 137.37 2g0k n PRO 49 Ca -0.09 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2g0k n PRO 49 Cb 0.43 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.06 3.55 -2.15 0.55 0.00 -1.26 -3.99 120.51 116.16 2g0k n ALA 50 Ca 0.14 -0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.26 2g0k n ALA 50 Cb 0.08 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.55 0.97 -4.62 0.00 8.00 -0.85 -5.04 116.55 113.46 2g0k n ASP 51 Ca 0.05 -2.37 -0.39 0.00 0.71 0.00 0.00 54.79 52.80 2g0k n ASP 51 Cb 0.34 -0.32 -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 -0.69 3.27 0.18 1.24 -0.12 -1.15 -3.81 117.98 116.90 2g0k s PHE 52 Ca 0.27 0.38 0.01 0.00 -0.05 0.00 0.00 56.93 57.54 2g0k s PHE 52 Cb 0.29 -2.51 0.01 0.00 -0.63 0.00 0.00 43.02 40.18 2g0k s PHE 52 CO -0.10 -0.16 0.06 0.45 -0.05 0.00 0.00 175.22 175.42 2g0k n SER 53 N 5.07 2.09 -3.88 1.98 2.88 0.33 -4.96 113.62 117.14 2g0k n SER 53 Ca -0.10 -1.73 -0.09 0.00 -1.33 0.00 0.00 58.87 55.62 2g0k n SER 53 Cb 0.51 0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.04 0.11 -0.04 -3.46 1.04 -1.26 -2.48 113.70 105.58 2g0k s SER 54 Ca 0.05 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 55.66 2g0k s SER 54 Cb -0.00 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2g0k s SER 54 CO 0.03 -0.61 0.90 0.54 0.98 0.00 0.00 173.24 175.08 2g0k s VAL 55 N -3.12 0.00 -0.03 5.02 0.11 -1.17 -4.94 120.40 116.27 2g0k s VAL 55 Ca -0.01 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 55 Cb 0.02 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2g0k s VAL 55 CO -0.07 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.67 2g0k s THR 56 N -2.67 1.16 0.05 5.04 2.01 -1.26 -2.05 115.64 117.91 2g0k s THR 56 Ca 0.03 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2g0k s THR 56 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2g0k s THR 56 CO -0.06 0.34 1.12 0.00 -0.69 0.00 0.00 174.62 175.32 2g0k s ALA 57 N -0.00 3.31 1.15 7.40 0.00 -0.67 -4.70 121.76 128.26 2g0k s ALA 57 Ca -0.01 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 2g0k s ALA 57 Cb -0.09 -3.40 0.23 0.00 0.00 0.00 0.00 23.12 19.86 2g0k s ALA 57 CO 0.01 -0.34 0.92 -0.40 0.00 0.00 0.00 175.76 175.95 2g0k n ASP 58 N 3.75 -1.43 0.21 0.00 5.68 -0.90 -0.28 116.55 123.57 2g0k n ASP 58 Ca 0.07 -1.11 0.14 0.00 -0.50 0.00 0.00 54.79 53.39 2g0k n ASP 58 Cb 0.48 -0.81 0.74 0.00 -1.14 0.00 0.00 41.12 40.39 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 -2.42 1.00 -0.18 2.12 0.00 -1.91 0.22 119.26 118.10 2g0k h ALA 59 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2g0k h ALA 59 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2g0k h ALA 59 CO 0.22 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.76 2g0k n ASN 60 N -2.48 1.15 -2.77 0.00 5.15 -1.26 -4.85 115.26 110.20 2g0k n ASN 60 Ca -0.01 -1.83 -0.20 0.00 -0.60 0.00 0.00 54.58 51.93 2g0k n ASN 60 Cb 0.07 -0.12 0.01 0.00 -0.53 0.00 0.00 39.78 39.21 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g0k n GLY 61 N 0.92 -0.51 3.00 8.20 0.00 0.77 -4.79 105.19 112.78 2g0k n GLY 61 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2g0k n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g0k s SER 62 N -2.38 1.26 0.30 1.61 0.15 -1.26 -2.74 113.70 110.66 2g0k s SER 62 Ca 0.17 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.68 2g0k s SER 62 Cb -0.08 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.81 2g0k s SER 62 CO 0.20 0.06 -0.02 0.00 1.20 0.00 0.00 173.24 174.69 2g0k s ALA 63 N 0.23 2.41 -0.17 5.45 0.00 -1.20 -2.12 121.76 126.37 2g0k s ALA 63 Ca -0.04 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 49.86 2g0k s ALA 63 Cb -0.09 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.41 2g0k s ALA 63 CO 0.01 -0.14 0.40 -1.12 0.00 0.00 0.00 175.76 174.90 2g0k s SER 64 N -3.48 -0.43 0.26 0.00 0.01 -1.26 -2.47 113.70 106.33 2g0k s SER 64 Ca 0.32 0.88 -0.16 0.00 1.31 0.00 0.00 55.95 58.29 2g0k s SER 64 Cb 0.06 0.84 0.01 0.00 0.21 0.00 0.00 66.02 67.13 2g0k s SER 64 CO 0.13 -0.20 0.58 -0.89 0.41 0.00 0.00 173.24 173.28 2g0k s THR 65 N 1.63 0.00 -0.08 1.44 2.01 -0.95 -4.95 115.64 114.74 2g0k s THR 65 Ca -0.08 -1.21 0.04 0.00 0.31 0.00 0.00 61.69 60.75 2g0k s THR 65 Cb -0.09 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2g0k s THR 65 CO -0.12 -0.00 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.14 2g0k s SER 66 N -2.97 3.29 -0.21 3.53 0.01 -1.26 -1.99 113.70 114.09 2g0k s SER 66 Ca 0.17 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2g0k s SER 66 Cb -0.03 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 65.08 2g0k s SER 66 CO 0.08 0.22 -0.11 -0.22 0.41 0.00 0.00 173.24 173.62 2g0k s LEU 67 N 0.02 2.67 0.19 2.44 1.98 -0.60 -4.87 118.68 120.50 2g0k s LEU 67 Ca -0.08 -0.59 -0.30 0.00 -2.89 0.00 0.00 54.13 50.27 2g0k s LEU 67 Cb -0.15 -1.62 -0.08 0.00 0.66 0.00 0.00 46.19 45.00 2g0k s LEU 67 CO 0.05 -0.03 1.02 0.28 -1.89 0.00 0.00 176.35 175.78 2g0k s THR 68 N 1.37 4.03 -0.19 3.68 -1.32 -1.26 -0.15 115.64 121.81 2g0k s THR 68 Ca 0.04 1.84 -0.05 0.00 -1.21 0.00 0.00 61.69 62.31 2g0k s THR 68 Cb -0.14 -4.17 -0.03 0.00 -1.51 0.00 0.00 72.50 66.65 2g0k s THR 68 CO -0.07 0.35 0.00 0.54 -2.21 0.00 0.00 174.62 173.23 2g0k s VAL 69 N -0.52 4.03 0.39 5.08 0.11 -0.99 -4.86 120.40 123.64 2g0k s VAL 69 Ca 0.46 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.30 2g0k s VAL 69 Cb -0.27 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 2g0k s VAL 69 CO 0.34 0.44 0.26 -0.13 -3.33 0.00 0.00 175.10 172.68 2g0k s ARG 70 N 0.86 2.43 0.02 1.54 3.00 -1.26 -3.59 118.95 121.95 2g0k s ARG 70 Ca 0.01 -1.60 0.22 0.00 0.00 0.00 0.00 55.73 54.36 2g0k s ARG 70 Cb -0.14 -2.23 -0.14 0.00 0.00 0.00 0.00 34.95 32.43 2g0k s ARG 70 CO 0.02 -0.08 0.82 2.89 0.00 0.00 0.00 175.30 178.95 2g0k n ARG 71 N -1.36 0.37 -3.59 3.54 1.85 -1.26 -4.55 116.66 111.66 2g0k n ARG 71 Ca 0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 57.85 56.68 2g0k n ARG 71 Cb 0.62 -1.56 -0.06 0.00 -1.05 0.00 0.00 32.46 30.41 2g0k n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2g0k s SER 72 N -4.01 -0.44 -0.26 2.89 0.15 -1.26 0.55 113.70 111.33 2g0k s SER 72 Ca 0.00 0.62 -0.31 0.00 0.70 0.00 0.00 55.95 56.97 2g0k s SER 72 Cb 0.14 0.55 0.17 0.00 -1.71 0.00 0.00 66.02 65.18 2g0k s SER 72 CO 0.85 -0.30 1.29 0.72 1.20 0.00 0.00 173.24 176.99 2g0k s PHE 73 N -0.64 -0.10 -0.21 3.44 -0.12 -0.42 -4.93 117.98 115.01 2g0k s PHE 73 Ca -0.01 0.15 -0.35 0.00 -0.05 0.00 0.00 56.93 56.67 2g0k s PHE 73 Cb -0.02 0.49 -0.12 0.00 -0.63 0.00 0.00 43.02 42.74 2g0k s PHE 73 CO -0.00 -0.10 1.97 -0.85 -0.05 0.00 0.00 175.22 176.19 2g0k n GLU 74 N 0.45 1.68 -2.42 1.99 0.00 -1.26 -0.21 120.64 120.87 2g0k n GLU 74 Ca -0.01 0.57 -0.41 0.00 0.00 0.00 0.00 57.16 57.31 2g0k n GLU 74 Cb 0.58 -2.55 -0.03 0.00 0.00 0.00 0.00 31.44 29.45 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 5.25 0.83 -0.69 -1.84 0.00 0.23 -4.25 107.32 106.86 2g0k s GLY 75 Ca 0.99 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 2g0k s GLY 75 CO 0.52 2.80 1.11 -1.36 0.00 0.00 0.00 173.10 176.17 2g0k s PHE 76 N 6.20 2.50 0.20 1.90 0.08 1.21 -1.06 117.98 129.02 2g0k s PHE 76 Ca 0.48 -0.25 -0.32 0.00 0.12 0.00 0.00 56.93 56.95 2g0k s PHE 76 Cb -0.10 -4.44 -0.14 0.00 -0.57 0.00 0.00 43.02 37.77 2g0k s PHE 76 CO 0.21 -1.82 1.45 -0.11 -0.10 0.00 0.00 175.22 174.85 2g0k n LEU 77 N 8.48 2.94 -0.35 -0.37 7.94 0.16 0.60 117.00 136.39 2g0k n LEU 77 Ca 0.00 1.12 0.25 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.47 -1.40 0.52 0.00 0.53 0.00 0.00 43.42 43.54 2g0k n LEU 77 CO 0.67 -0.50 1.20 -0.26 -1.11 0.00 0.00 177.39 177.40 2g0k h PHE 78 N 4.75 0.70 0.00 1.96 -1.00 -1.83 1.81 116.94 123.33 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.28 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.64 2g0k h PHE 78 CO 0.58 -0.03 0.11 0.22 -1.61 0.00 0.00 178.31 177.58 2g0k h ASP 79 N 0.34 0.00 0.00 2.17 1.82 -1.88 -3.44 116.42 115.43 2g0k h ASP 79 Ca 0.67 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 2g0k h ASP 79 Cb 1.72 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.73 2g0k h ASP 79 CO -0.38 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.86 2g0k n GLY 80 N -1.23 1.54 3.52 -0.78 0.00 0.61 -5.10 105.19 103.76 2g0k n GLY 80 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 3.01 -0.72 2.61 2.01 -1.07 -4.92 115.64 114.56 2g0k s THR 81 Ca 0.00 -1.52 -0.23 0.00 0.31 0.00 0.00 61.69 60.25 2g0k s THR 81 Cb 0.00 -2.42 0.07 0.00 0.01 0.00 0.00 72.50 70.16 2g0k s THR 81 CO 0.00 0.04 1.08 0.00 -0.69 0.00 0.00 174.62 175.05 2g0k s ARG 82 N -2.35 3.20 0.03 4.92 1.70 -1.26 0.38 118.95 125.56 2g0k s ARG 82 Ca 0.21 -0.80 -0.28 0.00 -0.47 0.00 0.00 55.73 54.38 2g0k s ARG 82 Cb -0.10 -4.35 -0.16 0.00 -0.57 0.00 0.00 34.95 29.77 2g0k s ARG 82 CO 0.12 -1.91 1.28 2.35 -1.08 0.00 0.00 175.30 176.05 2g0k h TRP 83 N 9.62 -0.79 0.00 5.89 7.01 -1.47 -3.48 115.95 132.73 2g0k h TRP 83 Ca -0.22 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.76 2g0k h TRP 83 Cb 1.06 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.38 2g0k h TRP 83 CO 1.04 -0.45 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 2g0k n GLY 84 N -0.82 1.27 3.60 2.65 0.00 -1.23 -4.96 105.19 105.71 2g0k n GLY 84 Ca -0.12 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.84 3.19 0.40 2.61 2.01 -1.26 0.77 115.64 121.52 2g0k s THR 85 Ca 0.00 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 2g0k s THR 85 Cb 0.00 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 2g0k s THR 85 CO 0.00 -0.15 0.77 -0.69 -0.69 0.00 0.00 174.62 173.86 2g0k s VAL 86 N 7.52 4.77 -0.42 3.82 1.01 0.70 -4.83 120.40 132.97 2g0k s VAL 86 Ca 0.92 0.67 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2g0k s VAL 86 Cb -0.30 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.48 2g0k s VAL 86 CO 0.35 -0.50 0.15 -1.81 0.00 0.00 0.00 175.10 173.29 2g0k s ASP 87 N -3.09 4.42 0.58 3.32 1.01 -1.26 -1.30 116.67 120.34 2g0k s ASP 87 Ca 0.52 -2.49 0.28 0.00 0.71 0.00 0.00 52.55 51.57 2g0k s ASP 87 Cb -0.10 -1.51 1.50 0.00 1.01 0.00 0.00 42.92 43.82 2g0k s ASP 87 CO 0.30 -0.31 1.96 0.00 0.21 0.00 0.00 175.17 177.32 2g0k n THR 89 N -3.87 0.00 -0.02 0.00 -2.24 -1.16 -3.25 114.28 103.75 2g0k n THR 89 Ca 0.08 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 2g0k n THR 89 Cb 0.60 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.08 0.29 -4.21 4.28 -1.04 0.49 -5.07 114.28 107.94 2g0k n THR 90 Ca 0.21 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2g0k n THR 90 Cb 0.14 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.08 0.24 -2.74 2.41 0.00 -0.21 -5.06 120.51 113.07 2g0k n ALA 91 Ca -0.07 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.15 2g0k n ALA 91 Cb 0.55 0.58 -0.10 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.46 3.51 0.12 0.00 0.00 -1.26 -4.61 121.76 117.06 2g0k s ALA 92 Ca 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2g0k s ALA 92 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2g0k s ALA 92 CO 0.06 -0.15 0.14 0.00 0.00 0.00 0.00 175.76 175.82 2g0k s GLN 94 N -2.80 0.47 0.27 0.00 -2.07 -1.01 -0.45 119.66 114.06 2g0k s GLN 94 Ca 0.31 -0.47 0.09 0.00 -1.82 0.00 0.00 55.36 53.47 2g0k s GLN 94 Cb -0.11 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2g0k s GLN 94 CO 0.24 -0.11 0.02 0.08 -1.32 0.00 0.00 175.29 174.20 2g0k s VAL 95 N -1.54 3.50 -0.05 3.63 1.01 -1.00 -0.62 120.40 125.34 2g0k s VAL 95 Ca -0.14 -1.86 -0.31 0.00 0.00 0.00 0.00 61.98 59.66 2g0k s VAL 95 Cb -0.07 -2.90 0.13 0.00 0.00 0.00 0.00 36.38 33.54 2g0k s VAL 95 CO 0.01 -0.36 1.35 -0.83 0.00 0.00 0.00 175.10 175.26 2g0k s GLY 96 N -3.70 -0.45 -0.08 4.51 0.00 0.79 -3.32 107.32 105.07 2g0k s GLY 96 Ca 0.32 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.87 2g0k s GLY 96 CO 0.20 0.15 -0.13 0.48 0.00 0.00 0.00 173.10 173.80 2g0k s LEU 97 N -2.99 1.62 0.11 0.66 2.34 1.58 0.83 118.68 122.83 2g0k s LEU 97 Ca 0.14 -0.33 0.04 0.00 0.06 0.00 0.00 54.13 54.05 2g0k s LEU 97 Cb 0.06 -0.90 -0.04 0.00 -0.56 0.00 0.00 46.19 44.76 2g0k s LEU 97 CO -0.05 0.02 0.05 -0.44 -1.06 0.00 0.00 176.35 174.87 2g0k s SER 98 N 0.83 5.27 0.00 1.48 0.01 9.53 -1.39 113.70 129.43 2g0k s SER 98 Ca -0.11 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2g0k s SER 98 Cb -0.15 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2g0k s SER 98 CO 0.02 0.15 0.00 -0.90 0.41 0.00 0.00 173.24 172.92 2g0k n ASP 99 N 0.31 1.33 -0.02 2.44 5.75 -1.04 0.56 116.55 125.89 2g0k n ASP 99 Ca -0.09 -0.32 -0.12 0.00 -0.01 0.00 0.00 54.79 54.24 2g0k n ASP 99 Cb 0.53 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 0.49 0.11 0.00 2.12 0.00 -1.92 -2.61 119.26 117.44 2g0k h ALA 100 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 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 -0.26 -0.19 0.00 0.00 0.00 0.00 179.25 178.80 2g0k h ALA 101 N 0.79 1.10 -0.71 0.00 0.00 -1.96 -3.47 119.26 115.00 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 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2g0k h ALA 101 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2g0k n GLY 102 N -0.13 0.63 3.43 0.00 0.00 -0.98 -5.12 105.19 103.01 2g0k n GLY 102 Ca -0.01 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.85 2.19 -0.04 1.61 6.03 -1.26 -4.80 114.94 116.81 2g0k s ASN 103 Ca 0.00 -1.48 -0.27 0.00 -1.03 0.00 0.00 52.86 50.08 2g0k s ASN 103 Cb 0.00 0.17 0.09 0.00 -3.03 0.00 0.00 41.25 38.48 2g0k s ASN 103 CO 0.00 -0.75 1.21 0.61 -2.03 0.00 0.00 177.10 176.14 2g0k n GLY 104 N -0.70 0.20 3.79 0.45 0.00 -1.25 -2.48 105.19 105.20 2g0k n GLY 104 Ca -0.03 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2g0k n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g0k s PRO 105 N -2.01 2.80 -0.28 1.61 0.04 -1.26 -4.38 135.00 131.52 2g0k s PRO 105 Ca 0.29 1.15 -0.36 0.00 0.04 0.00 0.00 61.00 62.11 2g0k s PRO 105 Cb -0.00 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 2g0k s PRO 105 CO -0.01 -1.22 1.15 -0.85 0.04 0.00 0.00 177.00 176.10 2g0k n GLU 106 N -2.88 0.00 -1.05 4.56 0.28 -0.81 -4.56 120.64 116.18 2g0k n GLU 106 Ca 0.09 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.76 2g0k n GLU 106 Cb 0.53 -1.20 0.01 0.00 1.43 0.00 0.00 31.44 32.21 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 2.58 -2.67 3.09 -1.84 0.00 -1.26 -4.82 105.19 100.26 2g0k n GLY 107 Ca 0.22 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.66 2.59 0.05 1.61 1.01 -1.21 -5.07 120.40 117.72 2g0k s VAL 108 Ca 0.48 -1.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 2g0k s VAL 108 Cb -0.42 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2g0k s VAL 108 CO 0.55 -0.35 0.72 0.00 0.00 0.00 0.00 175.10 176.02 2g0k s ALA 109 N 1.08 3.41 0.37 5.51 0.00 -1.26 -2.38 121.76 128.49 2g0k s ALA 109 Ca 0.01 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2g0k s ALA 109 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2g0k s ALA 109 CO -0.05 0.12 0.18 0.42 0.00 0.00 0.00 175.76 176.43 2g0k s ILE 110 N -0.24 2.76 -0.19 0.00 1.01 0.40 -4.96 121.20 119.98 2g0k s ILE 110 Ca 0.36 -1.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.25 2g0k s ILE 110 Cb -0.20 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.35 2g0k s ILE 110 CO 0.22 -0.11 0.46 -0.55 0.00 0.00 0.00 174.94 174.96 2g0k s SER 111 N -3.89 -0.56 -0.23 3.58 0.15 -0.56 -4.21 113.70 107.98 2g0k s SER 111 Ca 0.40 1.02 -0.09 0.00 0.70 0.00 0.00 55.95 57.98 2g0k s SER 111 Cb -0.01 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 2g0k s SER 111 CO 0.23 -0.21 0.12 -0.36 1.20 0.00 0.00 173.24 174.22 2g0k s PHE 112 N 1.63 3.26 0.00 3.44 0.40 -1.26 -2.99 117.98 122.46 2g0k s PHE 112 Ca -0.09 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2g0k s PHE 112 Cb -0.08 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.23 2g0k s PHE 112 CO -0.14 0.01 0.00 0.09 0.70 0.00 0.00 175.22 175.88