#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 -0.26 1.09 0.00 0.00 -1.26 -4.68 121.76 116.65 2g0k s ALA 2 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 2g0k s ALA 2 Cb 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 23.12 23.07 2g0k s ALA 2 CO 0.00 -0.06 0.55 -0.35 0.00 0.00 0.00 175.76 175.91 2g0k n PRO 3 N 3.09 -1.68 -3.35 0.00 -0.04 -1.26 -4.25 135.00 127.51 2g0k n PRO 3 Ca -0.13 -0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 62.02 2g0k n PRO 3 Cb 0.59 -0.75 -0.09 0.00 -0.04 0.00 0.00 33.50 33.21 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 -2.07 5.13 -0.01 0.52 2.01 -0.88 -2.85 115.64 117.49 2g0k s THR 4 Ca 0.35 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2g0k s THR 4 Cb -0.03 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2g0k s THR 4 CO 0.26 -0.45 -0.18 0.00 -0.69 0.00 0.00 174.62 173.56 2g0k s ALA 5 N 1.99 1.49 -0.36 7.40 0.00 -1.24 0.59 121.76 131.64 2g0k s ALA 5 Ca 0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 2g0k s ALA 5 Cb -0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2g0k s ALA 5 CO 0.12 0.36 0.31 0.95 0.00 0.00 0.00 175.76 177.50 2g0k s THR 6 N -0.43 5.22 0.09 0.00 -4.23 1.11 -4.80 115.64 112.61 2g0k s THR 6 Ca 0.07 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 2g0k s THR 6 Cb -0.07 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 2g0k s THR 6 CO -0.01 -0.12 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.20 2g0k s VAL 7 N 1.86 3.62 1.21 2.29 1.01 -1.25 -0.10 120.40 129.04 2g0k s VAL 7 Ca 0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2g0k s VAL 7 Cb -0.17 -2.69 0.29 0.00 0.00 0.00 0.00 36.38 33.80 2g0k s VAL 7 CO 0.11 0.15 1.06 0.28 0.00 0.00 0.00 175.10 176.70 2g0k s THR 8 N -1.22 1.63 -0.15 3.92 -1.32 0.19 -4.89 115.64 113.81 2g0k s THR 8 Ca 0.22 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.41 2g0k s THR 8 Cb -0.11 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.49 2g0k s THR 8 CO 0.14 0.00 1.41 -2.16 -2.21 0.00 0.00 174.62 171.81 2g0k s PRO 9 N -5.16 4.16 -0.55 7.08 0.04 -1.26 -4.73 135.00 134.58 2g0k s PRO 9 Ca 0.69 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.55 2g0k s PRO 9 Cb -0.14 -3.86 0.41 0.00 0.04 0.00 0.00 34.50 30.95 2g0k s PRO 9 CO 0.58 -0.83 1.44 -1.13 0.04 0.00 0.00 177.00 177.09 2g0k n SER 10 N 7.00 5.72 -3.93 6.66 3.41 -1.26 -4.89 113.62 126.32 2g0k n SER 10 Ca 0.15 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.44 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.76 4.07 0.00 4.04 1.04 -1.18 -1.95 113.70 116.96 2g0k s SER 11 Ca 0.51 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2g0k s SER 11 Cb 0.42 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 65.30 2g0k s SER 11 CO -0.21 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2g0k n GLY 12 N 4.61 1.03 3.73 7.32 0.00 -1.24 -4.68 105.19 115.95 2g0k n GLY 12 Ca -0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 4.14 0.50 0.99 1.43 -1.26 -4.82 118.68 119.65 2g0k s LEU 13 Ca 0.00 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2g0k s LEU 13 Cb 0.00 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2g0k s LEU 13 CO 0.00 0.21 0.08 -0.55 0.23 0.00 0.00 176.35 176.32 2g0k s SER 14 N 0.14 4.20 0.23 2.29 0.15 -1.26 -4.85 113.70 114.60 2g0k s SER 14 Ca 0.08 -1.53 -0.29 0.00 0.70 0.00 0.00 55.95 54.91 2g0k s SER 14 Cb -0.11 0.35 -0.16 0.00 -1.71 0.00 0.00 66.02 64.39 2g0k s SER 14 CO -0.01 -0.83 0.82 -0.90 1.20 0.00 0.00 173.24 173.52 2g0k n ASP 15 N -1.31 0.20 0.00 5.45 5.75 -1.26 -1.60 116.55 123.78 2g0k n ASP 15 Ca -0.14 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2g0k n ASP 15 Cb 0.66 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 1.62 3.05 3.85 6.12 0.00 -1.25 -5.02 105.19 113.56 2g0k n GLY 16 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 4.70 -0.11 2.61 2.01 -0.63 -5.01 115.64 116.46 2g0k s THR 17 Ca 0.00 0.89 0.01 0.00 0.31 0.00 0.00 61.69 62.90 2g0k s THR 17 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 17 CO 0.00 -0.22 -0.13 0.54 -0.69 0.00 0.00 174.62 174.11 2g0k s VAL 18 N -2.03 1.39 0.53 3.82 0.11 -1.26 -2.18 120.40 120.77 2g0k s VAL 18 Ca 0.54 -0.56 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2g0k s VAL 18 Cb -0.10 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 2g0k s VAL 18 CO 0.19 0.42 0.83 0.68 -3.33 0.00 0.00 175.10 173.89 2g0k s VAL 19 N 1.19 4.32 0.02 2.04 -7.23 -0.42 -4.96 120.40 115.36 2g0k s VAL 19 Ca -0.03 0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.28 2g0k s VAL 19 Cb -0.14 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 2g0k s VAL 19 CO -0.04 -0.66 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.19 2g0k s LYS 20 N -4.84 2.24 -0.15 4.82 2.36 -1.26 -2.13 119.74 120.78 2g0k s LYS 20 Ca 0.50 -0.88 -0.04 0.00 -2.55 0.00 0.00 55.97 53.00 2g0k s LYS 20 Cb -0.10 -2.28 0.05 0.00 -1.05 0.00 0.00 37.83 34.45 2g0k s LYS 20 CO 0.45 0.57 0.07 0.54 1.55 0.00 0.00 175.35 178.52 2g0k s VAL 21 N -0.89 0.04 -0.20 4.02 0.11 -0.82 -0.64 120.40 122.02 2g0k s VAL 21 Ca 0.14 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 21 Cb -0.11 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2g0k s VAL 21 CO 0.05 -0.17 -0.13 0.00 -3.33 0.00 0.00 175.10 171.52 2g0k s ALA 22 N 2.09 2.13 0.20 1.54 0.00 0.85 -2.37 121.76 126.19 2g0k s ALA 22 Ca 0.02 -1.25 -0.26 0.00 0.00 0.00 0.00 51.96 50.48 2g0k s ALA 22 Cb -0.15 -1.28 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 2g0k s ALA 22 CO -0.08 -0.73 0.81 0.20 0.00 0.00 0.00 175.76 175.96 2g0k s GLY 23 N 1.35 2.91 -0.21 0.00 0.00 -1.13 0.36 107.32 110.59 2g0k s GLY 23 Ca -0.00 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 2g0k s GLY 23 CO -0.09 0.89 0.09 0.00 0.00 0.00 0.00 173.10 173.99 2g0k s ALA 24 N -1.23 0.63 0.00 3.20 0.00 2.50 -3.30 121.76 123.56 2g0k s ALA 24 Ca 0.38 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2g0k s ALA 24 Cb -0.23 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2g0k s ALA 24 CO 0.26 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2g0k n GLY 25 N 5.21 1.62 0.00 0.00 0.00 -1.26 -2.07 105.19 108.69 2g0k n GLY 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.68 0.99 4.77 -1.13 -4.69 117.00 112.26 2g0k n LEU 26 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2g0k n LEU 26 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2g0k n LEU 26 CO 0.00 -0.46 0.83 -1.10 -1.33 0.00 0.00 177.39 175.33 2g0k s GLN 27 N -2.32 4.36 0.09 3.23 -0.21 -1.26 -4.69 119.66 118.87 2g0k s GLN 27 Ca 0.00 1.37 -0.31 0.00 0.02 0.00 0.00 55.36 56.44 2g0k s GLN 27 Cb 0.00 -3.58 -0.07 0.00 1.00 0.00 0.00 33.01 30.36 2g0k s GLN 27 CO 0.00 -0.43 1.30 0.00 -2.12 0.00 0.00 175.29 174.05 2g0k s ALA 28 N 2.43 3.50 0.00 6.09 0.00 -1.26 -2.10 121.76 130.42 2g0k s ALA 28 Ca 0.46 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2g0k s ALA 28 Cb -0.17 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2g0k s ALA 28 CO 0.14 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2g0k n GLY 29 N 3.34 0.44 3.78 0.00 0.00 -1.07 -4.92 105.19 106.76 2g0k n GLY 29 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 30 N -1.98 5.26 0.35 2.61 2.01 -0.89 -4.82 115.64 118.18 2g0k s THR 30 Ca 0.00 0.59 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 2g0k s THR 30 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 2g0k s THR 30 CO 0.00 0.48 0.75 0.00 -0.69 0.00 0.00 174.62 175.16 2g0k s ALA 31 N -0.19 3.33 0.03 7.40 0.00 -1.26 -1.16 121.76 129.91 2g0k s ALA 31 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2g0k s ALA 31 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2g0k s ALA 31 CO 0.07 0.20 -0.06 0.71 0.00 0.00 0.00 175.76 176.68 2g0k s TYR 32 N -2.13 0.51 -0.26 0.00 2.02 -0.57 -3.81 117.35 113.12 2g0k s TYR 32 Ca 0.53 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.74 2g0k s TYR 32 Cb -0.10 -0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2g0k s TYR 32 CO 0.23 -0.10 -0.01 0.34 -1.57 0.00 0.00 175.55 174.43 2g0k s ASP 33 N -1.35 4.58 -0.11 2.29 -1.08 1.70 -3.15 116.67 119.56 2g0k s ASP 33 Ca -0.10 -0.70 -0.07 0.00 -0.52 0.00 0.00 52.55 51.16 2g0k s ASP 33 Cb -0.09 -1.75 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 2g0k s ASP 33 CO -0.00 -0.12 0.15 -0.69 0.52 0.00 0.00 175.17 175.03 2g0k s VAL 34 N 1.42 5.49 0.05 1.11 1.01 0.75 0.89 120.40 131.12 2g0k s VAL 34 Ca 0.02 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2g0k s VAL 34 Cb -0.16 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2g0k s VAL 34 CO -0.02 0.60 0.75 -0.83 0.00 0.00 0.00 175.10 175.59 2g0k s GLY 35 N -1.10 -0.53 -0.29 4.51 0.00 2.70 -1.09 107.32 111.52 2g0k s GLY 35 Ca 0.16 0.92 -0.08 0.00 0.00 0.00 0.00 44.72 45.72 2g0k s GLY 35 CO 0.05 0.40 0.10 1.62 0.00 0.00 0.00 173.10 175.28 2g0k s GLN 36 N -2.96 3.31 0.34 2.90 0.74 -1.25 -1.08 119.66 121.66 2g0k s GLN 36 Ca 0.01 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 54.77 2g0k s GLN 36 Cb -0.01 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 2g0k s GLN 36 CO -0.07 -0.37 0.39 0.00 -0.55 0.00 0.00 175.29 174.68 2g0k s ALA 38 N -2.24 -1.04 0.01 0.00 0.00 0.12 -2.71 121.76 115.89 2g0k s ALA 38 Ca 0.43 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 2g0k s ALA 38 Cb -0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.49 2g0k s ALA 38 CO 0.29 -0.23 1.70 -0.46 0.00 0.00 0.00 175.76 177.07 2g0k s TRP 39 N -0.22 2.05 -0.20 0.00 -0.00 -1.25 -0.86 118.94 118.46 2g0k s TRP 39 Ca -0.04 0.14 -0.15 0.00 -0.00 0.00 0.00 56.10 56.06 2g0k s TRP 39 Cb -0.03 -3.99 -0.08 0.00 -0.00 0.00 0.00 33.47 29.37 2g0k s TRP 39 CO 0.02 -4.13 -0.33 0.28 -0.00 0.00 0.00 176.95 172.79 2g0k n VAL 40 N 5.17 1.44 -4.35 5.86 0.31 0.95 -4.65 118.33 123.07 2g0k n VAL 40 Ca 0.17 -0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 64.24 2g0k n VAL 40 Cb 0.42 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 31.16 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 -6.58 1.68 -0.35 4.52 -1.08 0.18 -4.98 116.67 110.06 2g0k s ASP 41 Ca -0.31 -1.33 -0.36 0.00 -0.52 0.00 0.00 52.55 50.03 2g0k s ASP 41 Cb 0.08 0.05 -0.12 0.00 -1.46 0.00 0.00 42.92 41.48 2g0k s ASP 41 CO 0.42 -0.63 2.15 1.07 0.52 0.00 0.00 175.17 178.70 2g0k n THR 42 N -0.50 0.19 -0.96 1.71 5.66 -1.26 0.22 114.28 119.34 2g0k n THR 42 Ca -0.02 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2g0k n THR 42 Cb 0.66 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 6.43 0.32 3.18 1.09 0.00 -1.26 -4.97 105.19 109.97 2g0k n GLY 43 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.73 2.12 0.24 1.61 1.01 0.60 -5.08 120.40 119.17 2g0k s VAL 44 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2g0k s VAL 44 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2g0k s VAL 44 CO 0.00 0.55 -0.11 -1.48 0.00 0.00 0.00 175.10 174.06 2g0k s LEU 45 N 0.81 2.52 0.17 3.92 0.05 -1.26 0.47 118.68 125.36 2g0k s LEU 45 Ca -0.07 -1.09 0.05 0.00 0.05 0.00 0.00 54.13 53.06 2g0k s LEU 45 Cb -0.16 -0.68 -0.05 0.00 -2.05 0.00 0.00 46.19 43.26 2g0k s LEU 45 CO -0.02 -0.23 -0.08 0.00 -0.55 0.00 0.00 176.35 175.47 2g0k s ALA 46 N -2.97 1.60 0.21 1.48 0.00 -0.04 -4.33 121.76 117.72 2g0k s ALA 46 Ca 0.26 -1.58 0.10 0.00 0.00 0.00 0.00 51.96 50.73 2g0k s ALA 46 Cb 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2g0k s ALA 46 CO 0.09 -0.12 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 2g0k s ASN 48 N -3.04 4.63 0.00 0.00 2.47 -0.91 0.22 114.94 118.32 2g0k s ASN 48 Ca 0.26 -1.26 0.20 0.00 0.42 0.00 0.00 52.86 52.48 2g0k s ASN 48 Cb -0.08 -1.65 1.15 0.00 -1.45 0.00 0.00 41.25 39.23 2g0k s ASN 48 CO 0.15 -0.21 1.58 -0.81 -3.72 0.00 0.00 177.10 174.08 2g0k n PRO 49 N 4.56 0.57 0.02 0.43 -0.04 -1.26 -2.05 135.00 137.22 2g0k n PRO 49 Ca -0.14 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.04 3.28 -2.14 0.55 0.00 -1.26 -3.93 120.51 115.96 2g0k n ALA 50 Ca 0.14 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2g0k n ALA 50 Cb 0.08 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.69 1.18 -4.52 0.00 8.00 -0.87 -5.03 116.55 113.61 2g0k n ASP 51 Ca 0.05 -2.60 -0.38 0.00 0.71 0.00 0.00 54.79 52.56 2g0k n ASP 51 Cb 0.37 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.06 3.19 0.37 1.24 -0.12 -1.20 -3.86 117.98 116.54 2g0k s PHE 52 Ca 0.33 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 2g0k s PHE 52 Cb 0.35 -2.37 0.04 0.00 -0.63 0.00 0.00 43.02 40.41 2g0k s PHE 52 CO -0.12 -0.29 0.32 0.45 -0.05 0.00 0.00 175.22 175.53 2g0k n SER 53 N 5.03 2.00 -3.85 1.98 2.88 -0.25 -4.96 113.62 116.45 2g0k n SER 53 Ca -0.14 -2.20 -0.11 0.00 -1.33 0.00 0.00 58.87 55.09 2g0k n SER 53 Cb 0.51 -0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 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 -3.17 0.01 -0.05 -3.46 1.04 -1.26 -2.53 113.70 104.27 2g0k s SER 54 Ca 0.24 -0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.11 2g0k s SER 54 Cb -0.02 0.26 0.11 0.00 0.10 0.00 0.00 66.02 66.47 2g0k s SER 54 CO 0.16 -0.48 0.89 0.54 0.98 0.00 0.00 173.24 175.32 2g0k s VAL 55 N -2.04 0.00 -0.09 5.02 0.11 -1.19 -5.00 120.40 117.22 2g0k s VAL 55 Ca -0.09 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2g0k s VAL 55 Cb -0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2g0k s VAL 55 CO -0.01 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.73 2g0k s THR 56 N -2.27 1.38 0.53 5.04 2.01 -1.26 -1.50 115.64 119.56 2g0k s THR 56 Ca 0.01 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2g0k s THR 56 Cb -0.01 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 71.18 2g0k s THR 56 CO -0.04 0.41 1.14 0.00 -0.69 0.00 0.00 174.62 175.45 2g0k n ALA 57 N 4.07 0.77 -1.83 7.40 0.00 -0.31 -4.85 120.51 125.77 2g0k n ALA 57 Ca -0.20 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 2g0k n ALA 57 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2g0k n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 58 N -0.52 0.02 0.28 0.00 5.68 -0.88 -2.59 116.55 118.54 2g0k n ASP 58 Ca 0.11 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.51 2g0k n ASP 58 Cb 0.44 -0.02 0.80 0.00 -1.14 0.00 0.00 41.12 41.20 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 -0.98 1.49 -0.09 2.12 0.00 -1.94 0.19 119.26 120.06 2g0k h ALA 59 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2g0k h ALA 59 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2g0k h ALA 59 CO 0.01 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.42 2g0k n ASN 60 N -3.87 0.81 0.00 0.00 4.13 -1.26 -4.84 115.26 110.23 2g0k n ASN 60 Ca -0.03 -1.63 0.00 0.00 1.68 0.00 0.00 54.58 54.60 2g0k n ASN 60 Cb 0.15 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 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 0.92 0.15 3.79 7.41 0.00 0.66 -4.75 105.19 113.38 2g0k n GLY 61 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.03 6.39 0.35 1.61 0.15 -1.26 -2.83 113.70 116.07 2g0k s SER 62 Ca 0.00 0.46 0.08 0.00 0.70 0.00 0.00 55.95 57.19 2g0k s SER 62 Cb 0.00 -2.12 -0.07 0.00 -1.71 0.00 0.00 66.02 62.12 2g0k s SER 62 CO 0.00 0.25 -0.06 0.00 1.20 0.00 0.00 173.24 174.63 2g0k s ALA 63 N -0.23 2.87 -0.16 5.45 0.00 -1.21 -2.07 121.76 126.40 2g0k s ALA 63 Ca 0.14 -2.10 -0.07 0.00 0.00 0.00 0.00 51.96 49.93 2g0k s ALA 63 Cb -0.12 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.14 2g0k s ALA 63 CO 0.03 -0.01 0.36 -1.54 0.00 0.00 0.00 175.76 174.60 2g0k s SER 64 N -3.60 -0.20 -0.01 0.00 1.04 -1.26 -2.84 113.70 106.83 2g0k s SER 64 Ca 0.33 0.81 -0.29 0.00 0.48 0.00 0.00 55.95 57.28 2g0k s SER 64 Cb 0.05 0.90 0.07 0.00 0.10 0.00 0.00 66.02 67.13 2g0k s SER 64 CO 0.16 -0.21 0.64 -0.89 0.98 0.00 0.00 173.24 173.92 2g0k s THR 65 N 2.01 0.00 -0.12 2.02 2.01 -1.00 -4.95 115.64 115.61 2g0k s THR 65 Ca -0.05 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2g0k s THR 65 Cb -0.11 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 2g0k s THR 65 CO -0.11 -0.02 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.28 2g0k s SER 66 N -1.49 4.49 -0.24 3.53 0.01 -1.26 -1.94 113.70 116.79 2g0k s SER 66 Ca -0.09 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 2g0k s SER 66 Cb -0.00 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 2g0k s SER 66 CO 0.05 0.22 0.01 -0.22 0.41 0.00 0.00 173.24 173.71 2g0k s LEU 67 N 0.03 3.19 0.39 2.44 1.98 -0.90 -4.86 118.68 120.95 2g0k s LEU 67 Ca -0.02 -0.39 -0.26 0.00 -2.89 0.00 0.00 54.13 50.57 2g0k s LEU 67 Cb -0.14 -1.81 -0.09 0.00 0.66 0.00 0.00 46.19 44.82 2g0k s LEU 67 CO 0.03 -0.05 1.19 0.28 -1.89 0.00 0.00 176.35 175.91 2g0k s THR 68 N 1.52 3.10 -0.17 3.68 -1.32 -1.26 -1.30 115.64 119.89 2g0k s THR 68 Ca 0.05 0.94 -0.07 0.00 -1.21 0.00 0.00 61.69 61.41 2g0k s THR 68 Cb -0.15 -3.54 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 2g0k s THR 68 CO -0.00 0.10 0.05 -0.69 -2.21 0.00 0.00 174.62 171.87 2g0k s VAL 69 N -1.37 4.71 0.18 5.08 1.01 -0.93 -4.86 120.40 124.22 2g0k s VAL 69 Ca 0.56 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.59 2g0k s VAL 69 Cb -0.32 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2g0k s VAL 69 CO 0.40 0.49 -0.24 -0.13 0.00 0.00 0.00 175.10 175.62 2g0k s ARG 70 N 0.16 1.50 0.23 2.72 3.00 -1.26 -3.97 118.95 121.33 2g0k s ARG 70 Ca 0.04 -1.47 0.19 0.00 0.00 0.00 0.00 55.73 54.49 2g0k s ARG 70 Cb -0.12 -1.87 0.05 0.00 0.00 0.00 0.00 34.95 33.00 2g0k s ARG 70 CO 0.01 0.41 1.19 0.07 0.00 0.00 0.00 175.30 176.98 2g0k h ARG 71 N 3.38 0.00 -1.86 3.54 0.11 -1.93 -3.43 114.38 114.19 2g0k h ARG 71 Ca -0.48 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.67 2g0k h ARG 71 Cb 1.20 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.08 2g0k h ARG 71 CO 0.46 0.20 0.47 0.45 0.10 0.00 0.00 179.97 181.64 2g0k s SER 72 N -5.91 -0.42 -0.06 0.08 0.15 -1.26 0.77 113.70 107.05 2g0k s SER 72 Ca 0.01 0.33 -0.32 0.00 0.70 0.00 0.00 55.95 56.68 2g0k s SER 72 Cb 0.08 0.37 0.13 0.00 -1.71 0.00 0.00 66.02 64.88 2g0k s SER 72 CO 0.76 -0.47 1.26 0.72 1.20 0.00 0.00 173.24 176.71 2g0k s PHE 73 N -1.73 -0.07 0.10 3.44 -0.12 -0.96 -4.93 117.98 113.71 2g0k s PHE 73 Ca -0.01 -0.02 -0.31 0.00 -0.05 0.00 0.00 56.93 56.53 2g0k s PHE 73 Cb -0.01 0.54 -0.09 0.00 -0.63 0.00 0.00 43.02 42.83 2g0k s PHE 73 CO -0.00 -0.26 1.75 -1.83 -0.05 0.00 0.00 175.22 174.83 2g0k s GLU 74 N -2.43 4.16 -0.97 1.99 1.03 -1.26 -0.93 118.70 120.29 2g0k s GLU 74 Ca 0.13 2.48 -0.24 0.00 0.03 0.00 0.00 54.97 57.37 2g0k s GLU 74 Cb 0.03 -3.61 0.03 0.00 -0.80 0.00 0.00 34.13 29.78 2g0k s GLU 74 CO -0.04 -0.80 1.54 0.20 -1.33 0.00 0.00 175.26 174.84 2g0k s GLY 75 N 2.62 1.00 -0.69 -3.83 0.00 0.20 -4.05 107.32 102.56 2g0k s GLY 75 Ca 0.78 -2.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.23 2g0k s GLY 75 CO 0.35 2.86 1.14 -1.36 0.00 0.00 0.00 173.10 176.08 2g0k s PHE 76 N 6.11 2.47 0.38 1.90 0.08 0.60 -0.79 117.98 128.73 2g0k s PHE 76 Ca 0.50 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 57.07 2g0k s PHE 76 Cb -0.02 -4.47 -0.11 0.00 -0.57 0.00 0.00 43.02 37.84 2g0k s PHE 76 CO -0.06 -1.86 1.18 -0.11 -0.10 0.00 0.00 175.22 174.27 2g0k n LEU 77 N 8.61 3.21 -0.32 -0.37 7.94 -0.26 0.21 117.00 136.02 2g0k n LEU 77 Ca 0.01 1.13 0.16 0.00 -1.11 0.00 0.00 56.01 56.20 2g0k n LEU 77 Cb 0.48 -1.43 0.35 0.00 0.53 0.00 0.00 43.42 43.34 2g0k n LEU 77 CO 0.68 -0.90 1.06 -0.26 -1.11 0.00 0.00 177.39 176.85 2g0k h PHE 78 N 2.09 0.70 0.00 1.96 -1.00 -1.89 1.91 116.94 120.72 2g0k h PHE 78 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.31 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.71 2g0k h PHE 78 CO 0.48 -0.08 0.11 0.22 -1.61 0.00 0.00 178.31 177.42 2g0k h ASP 79 N 0.38 0.00 0.00 2.17 3.58 -1.97 -3.44 116.42 117.14 2g0k h ASP 79 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.05 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 -0.56 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.41 2g0k n GLY 80 N -1.22 1.49 3.38 -0.78 0.00 0.65 -5.08 105.19 103.62 2g0k n GLY 80 Ca -0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 3.67 -0.77 2.61 2.01 -1.15 -4.88 115.64 115.13 2g0k s THR 81 Ca 0.00 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 2g0k s THR 81 Cb 0.00 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.76 2g0k s THR 81 CO 0.00 0.42 2.20 0.00 -0.69 0.00 0.00 174.62 176.55 2g0k s ARG 82 N 1.28 2.08 0.04 4.92 1.70 -1.26 -1.10 118.95 126.61 2g0k s ARG 82 Ca 0.04 0.35 -0.32 0.00 -0.47 0.00 0.00 55.73 55.33 2g0k s ARG 82 Cb -0.14 -4.81 -0.18 0.00 -0.57 0.00 0.00 34.95 29.24 2g0k s ARG 82 CO -0.00 -3.78 1.41 2.35 -1.08 0.00 0.00 175.30 174.20 2g0k h TRP 83 N 13.32 -0.92 0.00 5.89 7.01 -1.34 -3.48 115.95 136.43 2g0k h TRP 83 Ca -0.02 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2g0k h TRP 83 Cb 1.05 0.31 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2g0k h TRP 83 CO 1.14 -0.55 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 2g0k n GLY 84 N -1.16 2.22 3.73 2.65 0.00 -1.22 -4.96 105.19 106.45 2g0k n GLY 84 Ca -0.14 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.20 1.87 -4.82 2.61 -1.04 -1.26 0.60 114.28 111.04 2g0k n THR 85 Ca 0.00 -0.47 -0.25 0.00 -2.04 0.00 0.00 64.05 61.29 2g0k n THR 85 Cb 0.00 -1.76 -0.15 0.00 -1.82 0.00 0.00 70.33 66.59 2g0k n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2g0k s VAL 86 N -0.97 1.41 -0.75 12.58 0.11 -0.11 -4.76 120.40 127.92 2g0k s VAL 86 Ca 0.56 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.63 2g0k s VAL 86 Cb -0.53 -1.18 0.13 0.00 -1.53 0.00 0.00 36.38 33.27 2g0k s VAL 86 CO 0.61 0.37 0.87 -1.81 -3.33 0.00 0.00 175.10 171.82 2g0k s ASP 87 N -0.50 6.43 0.65 3.54 1.11 -1.26 -2.27 116.67 124.38 2g0k s ASP 87 Ca 0.07 -1.83 0.33 0.00 0.18 0.00 0.00 52.55 51.30 2g0k s ASP 87 Cb -0.07 -2.33 1.79 0.00 1.07 0.00 0.00 42.92 43.38 2g0k s ASP 87 CO -0.00 -1.03 2.03 0.00 1.18 0.00 0.00 175.17 177.35 2g0k n THR 89 N -3.09 0.09 -0.02 0.00 -2.24 -1.03 -3.77 114.28 104.22 2g0k n THR 89 Ca -0.01 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2g0k n THR 89 Cb 0.33 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.17 0.30 -4.56 4.28 -1.04 0.45 -5.06 114.28 108.83 2g0k n THR 90 Ca 0.18 -0.23 -0.25 0.00 -2.04 0.00 0.00 64.05 61.71 2g0k n THR 90 Cb 0.33 -0.53 -0.06 0.00 -1.82 0.00 0.00 70.33 68.25 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 -2.09 0.40 -2.71 2.41 0.00 -0.52 -5.06 120.51 112.94 2g0k n ALA 91 Ca -0.08 -1.85 -0.38 0.00 0.00 0.00 0.00 53.44 51.14 2g0k n ALA 91 Cb 0.56 1.08 -0.06 0.00 0.00 0.00 0.00 19.45 21.02 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 -2.79 3.49 0.12 0.00 0.00 -1.26 -4.74 121.76 116.58 2g0k s ALA 92 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.82 2g0k s ALA 92 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2g0k s ALA 92 CO 0.04 -0.12 0.12 0.00 0.00 0.00 0.00 175.76 175.80 2g0k s GLN 94 N -2.78 0.73 0.24 0.00 -2.07 -1.10 -0.24 119.66 114.43 2g0k s GLN 94 Ca 0.31 0.14 0.10 0.00 -1.82 0.00 0.00 55.36 54.08 2g0k s GLN 94 Cb -0.11 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2g0k s GLN 94 CO 0.23 -0.19 -0.05 0.08 -1.32 0.00 0.00 175.29 174.04 2g0k s VAL 95 N -0.88 3.27 -0.15 3.63 1.01 -1.10 -0.63 120.40 125.56 2g0k s VAL 95 Ca -0.09 -1.88 -0.34 0.00 0.00 0.00 0.00 61.98 59.67 2g0k s VAL 95 Cb -0.03 -2.70 0.14 0.00 0.00 0.00 0.00 36.38 33.78 2g0k s VAL 95 CO 0.05 -0.29 1.28 -0.83 0.00 0.00 0.00 175.10 175.31 2g0k s GLY 96 N -3.38 -0.33 -0.10 4.51 0.00 -0.24 -3.11 107.32 104.67 2g0k s GLY 96 Ca 0.29 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.36 2g0k s GLY 96 CO 0.18 0.40 -0.11 0.48 0.00 0.00 0.00 173.10 174.05 2g0k s LEU 97 N -2.45 1.47 0.21 0.66 2.34 1.67 0.62 118.68 123.20 2g0k s LEU 97 Ca 0.12 -0.34 0.09 0.00 0.06 0.00 0.00 54.13 54.06 2g0k s LEU 97 Cb 0.01 -0.91 -0.04 0.00 -0.56 0.00 0.00 46.19 44.69 2g0k s LEU 97 CO -0.04 -0.04 -0.05 -0.44 -1.06 0.00 0.00 176.35 174.72 2g0k s SER 98 N 1.23 4.42 0.00 1.48 0.01 5.25 -1.31 113.70 124.77 2g0k s SER 98 Ca -0.03 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2g0k s SER 98 Cb -0.14 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2g0k s SER 98 CO -0.04 0.06 0.00 -0.90 0.41 0.00 0.00 173.24 172.78 2g0k n ASP 99 N -0.35 1.02 -0.02 2.44 5.75 -0.95 0.47 116.55 124.91 2g0k n ASP 99 Ca -0.09 -0.12 -0.12 0.00 -0.01 0.00 0.00 54.79 54.45 2g0k n ASP 99 Cb 0.57 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.10 0.11 0.00 2.12 0.00 -1.91 -2.73 119.26 116.96 2g0k h ALA 100 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 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 -0.20 -0.20 0.00 0.00 0.00 0.00 179.25 178.85 2g0k h ALA 101 N 0.73 1.27 -0.18 0.00 0.00 -1.96 -3.46 119.26 115.66 2g0k h ALA 101 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2g0k h ALA 101 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2g0k h ALA 101 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2g0k n GLY 102 N -0.49 0.87 3.54 0.00 0.00 -1.03 -5.12 105.19 102.96 2g0k n GLY 102 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.93 4.00 0.06 1.61 4.22 -1.26 -4.78 114.94 116.85 2g0k s ASN 103 Ca 0.00 -0.79 -0.27 0.00 -2.14 0.00 0.00 52.86 49.66 2g0k s ASN 103 Cb 0.00 -0.55 0.09 0.00 1.28 0.00 0.00 41.25 42.07 2g0k s ASN 103 CO 0.00 0.05 1.19 -0.83 -2.04 0.00 0.00 177.10 175.48 2g0k s GLY 104 N -3.29 -0.10 0.62 0.45 0.00 -1.26 -2.24 107.32 101.51 2g0k s GLY 104 Ca 0.28 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 2g0k s GLY 104 CO 0.16 3.55 1.08 2.56 0.00 0.00 0.00 173.10 180.45 2g0k s PRO 105 N -2.18 3.11 -0.42 2.90 0.04 -1.26 -4.47 135.00 132.71 2g0k s PRO 105 Ca 0.24 1.28 -0.40 0.00 0.04 0.00 0.00 61.00 62.16 2g0k s PRO 105 Cb -0.00 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2g0k s PRO 105 CO 0.01 -0.99 1.39 -0.85 0.04 0.00 0.00 177.00 176.59 2g0k n GLU 106 N -2.19 0.00 -0.94 4.56 0.28 -1.13 -4.59 120.64 116.62 2g0k n GLU 106 Ca 0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.77 2g0k n GLU 106 Cb 0.52 -1.27 0.02 0.00 1.43 0.00 0.00 31.44 32.15 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 3.59 -3.49 3.07 -1.84 0.00 -1.26 -4.80 105.19 100.46 2g0k n GLY 107 Ca 0.28 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.71 2.31 -0.28 1.61 1.01 -1.18 -5.07 120.40 117.09 2g0k s VAL 108 Ca 0.40 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 2g0k s VAL 108 Cb -0.27 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2g0k s VAL 108 CO 0.65 -0.18 0.78 0.00 0.00 0.00 0.00 175.10 176.35 2g0k s ALA 109 N 1.08 3.57 0.26 5.51 0.00 -1.26 -2.71 121.76 128.20 2g0k s ALA 109 Ca -0.04 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2g0k s ALA 109 Cb -0.20 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2g0k s ALA 109 CO -0.05 -1.09 0.41 0.42 0.00 0.00 0.00 175.76 175.45 2g0k s ILE 110 N 2.87 5.22 -0.09 0.00 1.01 0.67 -4.99 121.20 125.90 2g0k s ILE 110 Ca 0.32 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 2g0k s ILE 110 Cb -0.15 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.53 2g0k s ILE 110 CO 0.11 -0.36 0.18 -0.55 0.00 0.00 0.00 174.94 174.32 2g0k s SER 111 N -3.86 0.39 -0.16 3.58 0.15 -0.82 -3.94 113.70 109.03 2g0k s SER 111 Ca 0.36 0.37 -0.18 0.00 0.70 0.00 0.00 55.95 57.20 2g0k s SER 111 Cb -0.09 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2g0k s SER 111 CO 0.31 -0.21 0.49 -0.36 1.20 0.00 0.00 173.24 174.66 2g0k s PHE 112 N 1.93 3.44 0.00 3.44 0.40 -1.26 -3.09 117.98 122.85 2g0k s PHE 112 Ca -0.01 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 2g0k s PHE 112 Cb -0.12 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.82 2g0k s PHE 112 CO -0.06 0.04 0.00 0.27 0.70 0.00 0.00 175.22 176.17