#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 2.55 1.16 0.00 0.00 -1.26 -4.62 121.76 119.59 2g0k s ALA 2 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 2g0k s ALA 2 Cb 0.00 -1.50 0.24 0.00 0.00 0.00 0.00 23.12 21.86 2g0k s ALA 2 CO 0.00 -0.77 0.98 -0.35 0.00 0.00 0.00 175.76 175.62 2g0k n PRO 3 N 4.59 -2.38 -3.53 0.00 -0.04 -1.26 -4.11 135.00 128.27 2g0k n PRO 3 Ca -0.17 -1.55 -0.40 0.00 -0.04 0.00 0.00 63.50 61.34 2g0k n PRO 3 Cb 0.47 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.88 5.28 0.10 0.52 -1.32 -0.76 -1.46 115.64 115.12 2g0k s THR 4 Ca 0.61 -0.12 0.05 0.00 -1.21 0.00 0.00 61.69 61.02 2g0k s THR 4 Cb -0.05 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.21 2g0k s THR 4 CO 0.46 0.02 -0.13 0.00 -2.21 0.00 0.00 174.62 172.76 2g0k s ALA 5 N 1.76 1.31 -0.31 11.08 0.00 -1.25 0.55 121.76 134.89 2g0k s ALA 5 Ca 0.07 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 2g0k s ALA 5 Cb -0.17 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2g0k s ALA 5 CO 0.11 0.08 0.06 0.95 0.00 0.00 0.00 175.76 176.95 2g0k s THR 6 N -2.03 3.61 0.02 0.00 -4.23 0.75 -4.84 115.64 108.91 2g0k s THR 6 Ca 0.05 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 2g0k s THR 6 Cb -0.05 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2g0k s THR 6 CO 0.02 -0.04 0.01 -0.69 -0.54 0.00 0.00 174.62 173.39 2g0k s VAL 7 N 1.40 4.22 1.24 2.29 1.01 -1.24 -0.70 120.40 128.62 2g0k s VAL 7 Ca -0.01 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2g0k s VAL 7 Cb -0.18 -2.92 0.30 0.00 0.00 0.00 0.00 36.38 33.58 2g0k s VAL 7 CO 0.01 0.32 1.05 0.28 0.00 0.00 0.00 175.10 176.76 2g0k s THR 8 N -1.15 1.58 -0.19 3.92 -1.32 0.06 -4.88 115.64 113.65 2g0k s THR 8 Ca 0.21 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.40 2g0k s THR 8 Cb -0.12 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 2g0k s THR 8 CO 0.13 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.81 2g0k s PRO 9 N -5.18 4.03 -0.54 7.08 0.04 -1.26 -4.74 135.00 134.43 2g0k s PRO 9 Ca 0.69 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.42 2g0k s PRO 9 Cb -0.13 -3.90 0.41 0.00 0.04 0.00 0.00 34.50 30.92 2g0k s PRO 9 CO 0.58 -0.99 1.47 -1.13 0.04 0.00 0.00 177.00 176.96 2g0k n SER 10 N 7.44 5.82 -3.91 6.66 3.41 -1.26 -4.89 113.62 126.89 2g0k n SER 10 Ca 0.16 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -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 -2.72 3.98 0.00 4.04 1.04 -1.25 -2.66 113.70 116.12 2g0k s SER 11 Ca 0.51 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2g0k s SER 11 Cb 0.42 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 65.38 2g0k s SER 11 CO -0.19 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2g0k n GLY 12 N 4.66 1.19 3.71 7.32 0.00 -1.25 -4.90 105.19 115.92 2g0k n GLY 12 Ca -0.08 -0.42 -0.35 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 4.05 0.48 0.99 1.43 -1.26 -4.92 118.68 119.45 2g0k s LEU 13 Ca 0.00 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2g0k s LEU 13 Cb 0.00 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 2g0k s LEU 13 CO 0.00 0.22 0.30 -0.44 0.23 0.00 0.00 176.35 176.66 2g0k s SER 14 N 0.12 4.59 0.28 2.29 0.01 -1.26 -4.85 113.70 114.88 2g0k s SER 14 Ca 0.07 -1.15 -0.28 0.00 1.31 0.00 0.00 55.95 55.91 2g0k s SER 14 Cb -0.12 -0.00 -0.14 0.00 0.21 0.00 0.00 66.02 65.96 2g0k s SER 14 CO -0.00 -0.84 0.90 -0.90 0.41 0.00 0.00 173.24 172.81 2g0k n ASP 15 N -1.53 0.74 0.00 2.44 5.75 -1.26 -1.71 116.55 120.98 2g0k n ASP 15 Ca -0.02 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.92 2g0k n ASP 15 Cb 0.64 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 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 1.38 3.11 3.83 6.12 0.00 -1.25 -5.04 105.19 113.33 2g0k n GLY 16 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2g0k n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 17 N -2.80 4.41 -0.10 2.61 2.01 -0.70 -4.97 115.64 116.10 2g0k s THR 17 Ca 0.00 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2g0k s THR 17 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 17 CO 0.00 -0.43 -0.10 0.54 -0.69 0.00 0.00 174.62 173.93 2g0k s VAL 18 N -2.32 1.17 0.68 3.82 0.11 -1.26 -1.42 120.40 121.18 2g0k s VAL 18 Ca 0.61 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 59.20 2g0k s VAL 18 Cb -0.10 -1.13 0.07 0.00 -1.53 0.00 0.00 36.38 33.70 2g0k s VAL 18 CO 0.19 0.38 0.96 0.68 -3.33 0.00 0.00 175.10 173.98 2g0k s VAL 19 N 1.31 2.35 0.07 2.04 -7.23 0.67 -4.90 120.40 114.71 2g0k s VAL 19 Ca -0.02 -0.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.83 2g0k s VAL 19 Cb -0.14 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 2g0k s VAL 19 CO -0.04 0.00 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.76 2g0k s LYS 20 N -5.13 1.45 -0.23 4.82 2.36 -1.26 -1.60 119.74 120.14 2g0k s LYS 20 Ca 0.61 -1.12 -0.03 0.00 -2.55 0.00 0.00 55.97 52.88 2g0k s LYS 20 Cb -0.10 -1.69 0.10 0.00 -1.05 0.00 0.00 37.83 35.09 2g0k s LYS 20 CO 0.43 0.42 0.21 0.14 1.55 0.00 0.00 175.35 178.11 2g0k s VAL 21 N -0.93 -0.29 -0.21 4.02 -7.23 -0.43 -0.76 120.40 114.57 2g0k s VAL 21 Ca 0.10 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2g0k s VAL 21 Cb -0.10 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 36.09 2g0k s VAL 21 CO 0.03 -0.35 -0.14 0.00 -0.31 0.00 0.00 175.10 174.33 2g0k s ALA 22 N 2.29 2.48 0.34 1.32 0.00 0.13 -2.02 121.76 126.30 2g0k s ALA 22 Ca 0.07 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 2g0k s ALA 22 Cb -0.15 -1.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.47 2g0k s ALA 22 CO -0.20 -0.65 0.84 0.20 0.00 0.00 0.00 175.76 175.95 2g0k s GLY 23 N 1.26 2.46 -0.16 0.00 0.00 -0.80 0.27 107.32 110.35 2g0k s GLY 23 Ca 0.01 0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.93 2g0k s GLY 23 CO -0.09 0.54 0.30 0.00 0.00 0.00 0.00 173.10 173.86 2g0k s ALA 24 N -1.93 -0.70 0.00 3.20 0.00 2.16 -2.22 121.76 122.28 2g0k s ALA 24 Ca 0.55 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2g0k s ALA 24 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2g0k s ALA 24 CO 0.17 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2g0k n GLY 25 N 5.36 0.82 1.65 0.00 0.00 -0.98 -1.83 105.19 110.21 2g0k n GLY 25 Ca -0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.66 0.99 4.32 -1.00 -4.75 117.00 111.90 2g0k n LEU 26 Ca 0.00 -0.82 -0.42 0.00 -0.02 0.00 0.00 56.01 54.75 2g0k n LEU 26 Cb 0.00 -0.32 -0.03 0.00 -1.62 0.00 0.00 43.42 41.45 2g0k n LEU 26 CO 0.00 -0.77 1.24 -1.10 -1.22 0.00 0.00 177.39 175.54 2g0k s GLN 27 N -3.75 4.21 0.25 3.23 1.11 -1.26 -4.66 119.66 118.78 2g0k s GLN 27 Ca 0.29 1.98 -0.30 0.00 0.01 0.00 0.00 55.36 57.34 2g0k s GLN 27 Cb -0.01 -3.85 -0.09 0.00 -1.01 0.00 0.00 33.01 28.04 2g0k s GLN 27 CO 0.20 -0.76 1.34 0.00 0.01 0.00 0.00 175.29 176.07 2g0k s ALA 28 N 3.63 3.54 0.00 6.09 0.00 -1.26 -1.83 121.76 131.93 2g0k s ALA 28 Ca 0.66 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2g0k s ALA 28 Cb -0.29 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2g0k s ALA 28 CO 0.24 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2g0k n GLY 29 N 1.93 0.31 3.81 0.00 0.00 0.57 -4.96 105.19 106.85 2g0k n GLY 29 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2g0k s THR 30 N -1.72 4.45 -0.11 2.61 -1.32 -0.76 -4.80 115.64 114.00 2g0k s THR 30 Ca 0.00 1.41 -0.13 0.00 -1.21 0.00 0.00 61.69 61.76 2g0k s THR 30 Cb 0.00 -3.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 2g0k s THR 30 CO 0.00 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 172.71 2g0k s ALA 31 N -1.78 3.68 0.09 11.08 0.00 -1.26 -1.81 121.76 131.76 2g0k s ALA 31 Ca 0.51 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2g0k s ALA 31 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 2g0k s ALA 31 CO 0.19 0.31 -0.19 0.71 0.00 0.00 0.00 175.76 176.78 2g0k s TYR 32 N -0.28 1.65 -0.25 0.00 2.02 -0.87 -3.56 117.35 116.05 2g0k s TYR 32 Ca 0.18 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 2g0k s TYR 32 Cb -0.14 -0.92 0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2g0k s TYR 32 CO 0.07 0.15 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.61 2g0k s ASP 33 N -1.75 4.27 0.00 2.29 1.11 0.69 -3.01 116.67 120.29 2g0k s ASP 33 Ca 0.05 -1.01 -0.08 0.00 0.18 0.00 0.00 52.55 51.69 2g0k s ASP 33 Cb -0.10 -1.62 -0.05 0.00 1.07 0.00 0.00 42.92 42.22 2g0k s ASP 33 CO 0.03 -0.14 0.28 -0.69 1.18 0.00 0.00 175.17 175.83 2g0k s VAL 34 N 1.26 5.28 -0.05 -1.27 1.01 -0.23 0.80 120.40 127.20 2g0k s VAL 34 Ca -0.02 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2g0k s VAL 34 Cb -0.17 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2g0k s VAL 34 CO -0.05 0.39 1.02 -0.83 0.00 0.00 0.00 175.10 175.64 2g0k s GLY 35 N -1.60 -0.38 -0.24 4.51 0.00 1.45 -0.04 107.32 111.00 2g0k s GLY 35 Ca 0.27 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 46.03 2g0k s GLY 35 CO 0.15 0.35 -0.01 1.62 0.00 0.00 0.00 173.10 175.21 2g0k s GLN 36 N -2.87 3.30 0.09 2.90 0.74 -1.24 -1.45 119.66 121.13 2g0k s GLN 36 Ca 0.08 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 54.88 2g0k s GLN 36 Cb -0.01 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 2g0k s GLN 36 CO -0.06 -0.27 -0.17 0.00 -0.55 0.00 0.00 175.29 174.24 2g0k s ALA 38 N -1.08 1.92 0.12 0.00 0.00 0.83 -2.57 121.76 120.98 2g0k s ALA 38 Ca 0.17 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 2g0k s ALA 38 Cb -0.11 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 2g0k s ALA 38 CO 0.09 0.47 1.62 -0.46 0.00 0.00 0.00 175.76 177.48 2g0k s TRP 39 N -0.56 2.71 -0.14 0.00 -0.00 -1.26 0.03 118.94 119.71 2g0k s TRP 39 Ca 0.09 0.44 0.02 0.00 -0.00 0.00 0.00 56.10 56.65 2g0k s TRP 39 Cb -0.09 -3.96 -0.10 0.00 -0.00 0.00 0.00 33.47 29.32 2g0k s TRP 39 CO -0.01 -3.72 -0.12 0.28 -0.00 0.00 0.00 176.95 173.38 2g0k n VAL 40 N 4.37 0.84 -3.91 5.86 0.31 -0.55 -4.79 118.33 120.45 2g0k n VAL 40 Ca 0.15 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 2g0k n VAL 40 Cb 0.39 -1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.31 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2g0k n ASP 41 N -2.90 -1.43 -4.61 4.52 -0.08 0.19 -5.00 116.55 107.24 2g0k n ASP 41 Ca -0.25 -2.60 -0.43 0.00 -1.51 0.00 0.00 54.79 50.00 2g0k n ASP 41 Cb 0.78 2.56 -0.02 0.00 2.34 0.00 0.00 41.12 46.78 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2g0k s THR 42 N -2.62 3.66 -0.00 5.18 2.01 -1.26 -1.80 115.64 120.82 2g0k s THR 42 Ca 0.22 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2g0k s THR 42 Cb -0.02 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2g0k s THR 42 CO 0.16 -0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 2g0k n GLY 43 N 5.10 0.49 2.78 4.40 0.00 -1.26 -5.01 105.19 111.69 2g0k n GLY 43 Ca 0.20 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2g0k n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s VAL 44 N -1.98 0.24 -0.02 1.61 0.11 -0.74 -5.13 120.40 114.49 2g0k s VAL 44 Ca 0.00 0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2g0k s VAL 44 Cb 0.00 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 2g0k s VAL 44 CO 0.00 0.20 -0.08 -1.48 -3.33 0.00 0.00 175.10 170.41 2g0k s LEU 45 N 1.55 1.85 0.44 2.54 2.34 -1.26 0.52 118.68 126.66 2g0k s LEU 45 Ca -0.02 -0.16 -0.10 0.00 0.06 0.00 0.00 54.13 53.90 2g0k s LEU 45 Cb -0.13 -0.48 -0.06 0.00 -0.56 0.00 0.00 46.19 44.96 2g0k s LEU 45 CO -0.03 0.07 0.80 0.00 -1.06 0.00 0.00 176.35 176.13 2g0k s ALA 46 N 0.08 3.32 0.23 1.48 0.00 0.10 -3.60 121.76 123.37 2g0k s ALA 46 Ca -0.01 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.85 2g0k s ALA 46 Cb -0.07 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2g0k s ALA 46 CO 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 175.76 175.43 2g0k s ASN 48 N -3.04 4.32 0.00 0.00 2.47 -1.02 0.21 114.94 117.88 2g0k s ASN 48 Ca 0.24 -1.40 0.19 0.00 0.42 0.00 0.00 52.86 52.31 2g0k s ASN 48 Cb -0.06 -1.46 1.11 0.00 -1.45 0.00 0.00 41.25 39.39 2g0k s ASN 48 CO 0.11 -0.22 1.51 -0.81 -3.72 0.00 0.00 177.10 173.98 2g0k n PRO 49 N 4.48 0.62 0.08 0.43 -0.04 -1.26 -2.11 135.00 137.20 2g0k n PRO 49 Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.42 -1.47 0.12 0.00 -0.04 0.00 0.00 33.50 32.54 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k h ALA 50 N 3.18 0.57 0.00 0.55 0.00 -1.96 -3.33 119.26 118.27 2g0k h ALA 50 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2g0k h ALA 50 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2g0k h ALA 50 CO 0.00 0.00 -0.60 -0.40 0.00 0.00 0.00 179.25 178.25 2g0k n ASP 51 N -2.29 1.46 -4.57 0.00 5.68 -0.90 -5.02 116.55 110.91 2g0k n ASP 51 Ca 0.02 -3.12 -0.39 0.00 -0.50 0.00 0.00 54.79 50.80 2g0k n ASP 51 Cb 0.47 -0.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2g0k s PHE 52 N -2.02 3.22 0.43 2.11 -0.12 -1.21 -3.61 117.98 116.78 2g0k s PHE 52 Ca 0.34 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 2g0k s PHE 52 Cb 0.34 -2.47 0.03 0.00 -0.63 0.00 0.00 43.02 40.28 2g0k s PHE 52 CO -0.08 -0.25 0.21 0.45 -0.05 0.00 0.00 175.22 175.50 2g0k n SER 53 N 5.16 2.67 -3.86 1.98 2.88 0.94 -4.95 113.62 118.43 2g0k n SER 53 Ca -0.12 -2.62 -0.09 0.00 -1.33 0.00 0.00 58.87 54.71 2g0k n SER 53 Cb 0.51 0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 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 -3.47 0.09 -0.02 -3.46 1.04 -1.26 -1.73 113.70 104.89 2g0k s SER 54 Ca 0.16 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 2g0k s SER 54 Cb -0.01 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 54 CO 0.10 -0.64 0.91 0.54 0.98 0.00 0.00 173.24 175.14 2g0k s VAL 55 N -3.21 0.00 -0.03 5.02 0.11 -1.16 -4.95 120.40 116.18 2g0k s VAL 55 Ca -0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2g0k s VAL 55 Cb 0.02 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2g0k s VAL 55 CO -0.07 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.66 2g0k s THR 56 N -2.96 1.22 0.19 5.04 2.01 -1.26 -2.05 115.64 117.83 2g0k s THR 56 Ca 0.05 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 2g0k s THR 56 Cb -0.01 -1.04 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 2g0k s THR 56 CO -0.08 0.35 1.12 0.00 -0.69 0.00 0.00 174.62 175.32 2g0k s ALA 57 N -0.11 3.39 1.08 7.40 0.00 -0.75 -4.71 121.76 128.06 2g0k s ALA 57 Ca 0.01 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 2g0k s ALA 57 Cb -0.09 -3.36 0.15 0.00 0.00 0.00 0.00 23.12 19.82 2g0k s ALA 57 CO 0.01 -0.24 0.64 -0.40 0.00 0.00 0.00 175.76 175.77 2g0k n ASP 58 N 2.30 -0.98 0.28 0.00 5.68 -0.77 -0.32 116.55 122.74 2g0k n ASP 58 Ca 0.03 -1.01 0.14 0.00 -0.50 0.00 0.00 54.79 53.45 2g0k n ASP 58 Cb 0.46 -0.54 0.80 0.00 -1.14 0.00 0.00 41.12 40.70 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 -2.21 1.35 0.00 2.12 0.00 -1.93 0.77 119.26 119.37 2g0k h ALA 59 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g0k h ALA 59 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2g0k h ALA 59 CO 0.15 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.79 2g0k n ASN 60 N -3.68 0.00 -0.85 0.00 5.15 -1.26 -4.83 115.26 109.79 2g0k n ASN 60 Ca -0.02 0.15 -0.06 0.00 -0.60 0.00 0.00 54.58 54.05 2g0k n ASN 60 Cb 0.18 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 0.70 0.20 3.05 8.20 0.00 0.25 -4.73 105.19 112.87 2g0k n GLY 61 Ca 0.09 -0.58 -0.22 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 -2.80 1.57 0.31 1.61 1.04 -1.26 -2.33 113.70 111.84 2g0k s SER 62 Ca 0.04 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.31 2g0k s SER 62 Cb -0.02 -0.41 -0.06 0.00 0.10 0.00 0.00 66.02 65.63 2g0k s SER 62 CO 0.04 0.10 -0.10 0.00 0.98 0.00 0.00 173.24 174.27 2g0k s ALA 63 N 0.11 2.71 -0.12 5.32 0.00 -0.94 -1.84 121.76 127.01 2g0k s ALA 63 Ca -0.03 -1.99 -0.06 0.00 0.00 0.00 0.00 51.96 49.88 2g0k s ALA 63 Cb -0.09 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2g0k s ALA 63 CO 0.01 0.06 0.29 -1.54 0.00 0.00 0.00 175.76 174.58 2g0k s SER 64 N -3.54 -0.21 0.28 0.00 1.04 -1.26 -1.91 113.70 108.10 2g0k s SER 64 Ca 0.31 0.62 -0.20 0.00 0.48 0.00 0.00 55.95 57.16 2g0k s SER 64 Cb 0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2g0k s SER 64 CO 0.15 -0.19 0.69 -0.89 0.98 0.00 0.00 173.24 173.98 2g0k s THR 65 N 1.53 0.00 -0.03 2.02 2.01 -0.86 -4.93 115.64 115.38 2g0k s THR 65 Ca -0.07 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.91 2g0k s THR 65 Cb -0.10 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 2g0k s THR 65 CO -0.09 0.00 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.23 2g0k s SER 66 N -2.93 2.02 -0.22 3.53 0.01 -1.26 -1.31 113.70 113.53 2g0k s SER 66 Ca 0.13 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 2g0k s SER 66 Cb -0.05 -0.46 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 2g0k s SER 66 CO 0.07 0.16 -0.04 -0.22 0.41 0.00 0.00 173.24 173.62 2g0k s LEU 67 N -0.08 2.92 -0.17 2.44 1.98 -0.63 -4.88 118.68 120.26 2g0k s LEU 67 Ca -0.01 -0.38 -0.29 0.00 -2.89 0.00 0.00 54.13 50.56 2g0k s LEU 67 Cb -0.10 -1.74 -0.03 0.00 0.66 0.00 0.00 46.19 44.98 2g0k s LEU 67 CO 0.01 -0.01 1.51 0.28 -1.89 0.00 0.00 176.35 176.25 2g0k s THR 68 N 1.44 3.85 0.02 3.68 -1.32 -1.26 -0.24 115.64 121.81 2g0k s THR 68 Ca 0.05 1.00 -0.30 0.00 -1.21 0.00 0.00 61.69 61.23 2g0k s THR 68 Cb -0.14 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.05 2g0k s THR 68 CO -0.03 -0.20 1.18 -0.69 -2.21 0.00 0.00 174.62 172.67 2g0k s VAL 69 N 4.36 4.19 0.07 5.08 1.01 -0.50 -4.87 120.40 129.74 2g0k s VAL 69 Ca 0.66 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.28 2g0k s VAL 69 Cb -0.26 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2g0k s VAL 69 CO 0.25 0.08 -0.19 -0.13 0.00 0.00 0.00 175.10 175.11 2g0k s ARG 70 N 1.44 1.90 0.11 2.72 3.00 -1.26 -3.96 118.95 122.90 2g0k s ARG 70 Ca 0.57 -1.09 0.24 0.00 0.00 0.00 0.00 55.73 55.45 2g0k s ARG 70 Cb -0.27 -2.12 0.21 0.00 0.00 0.00 0.00 34.95 32.76 2g0k s ARG 70 CO 0.27 0.51 1.19 2.89 0.00 0.00 0.00 175.30 180.16 2g0k n ARG 71 N 1.25 0.34 -3.64 3.54 -4.01 -1.26 -4.69 116.66 108.20 2g0k n ARG 71 Ca -0.16 0.07 -0.02 0.00 -1.04 0.00 0.00 57.85 56.69 2g0k n ARG 71 Cb 0.52 -1.68 -0.03 0.00 -3.04 0.00 0.00 32.46 28.23 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2g0k s SER 72 N -4.33 -0.04 -0.05 2.89 1.04 -1.26 0.12 113.70 112.07 2g0k s SER 72 Ca 0.04 0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 2g0k s SER 72 Cb 0.13 0.03 0.10 0.00 0.10 0.00 0.00 66.02 66.38 2g0k s SER 72 CO 0.75 -0.05 1.32 0.72 0.98 0.00 0.00 173.24 176.97 2g0k s PHE 73 N -1.55 0.02 0.01 5.02 -0.12 -0.90 -4.92 117.98 115.53 2g0k s PHE 73 Ca 0.10 -0.09 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 2g0k s PHE 73 Cb -0.01 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.85 2g0k s PHE 73 CO -0.05 -0.17 1.60 -1.83 -0.05 0.00 0.00 175.22 174.72 2g0k s GLU 74 N -2.01 4.21 -0.96 1.99 1.03 -1.26 0.11 118.70 121.80 2g0k s GLU 74 Ca 0.31 2.20 -0.24 0.00 0.03 0.00 0.00 54.97 57.27 2g0k s GLU 74 Cb -0.00 -3.74 0.04 0.00 -0.80 0.00 0.00 34.13 29.63 2g0k s GLU 74 CO -0.02 -0.74 1.43 0.20 -1.33 0.00 0.00 175.26 174.80 2g0k s GLY 75 N 2.66 1.16 -0.69 -3.83 0.00 -0.06 -4.04 107.32 102.51 2g0k s GLY 75 Ca 0.71 -2.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 2g0k s GLY 75 CO 0.30 2.71 1.12 -1.36 0.00 0.00 0.00 173.10 175.87 2g0k s PHE 76 N 5.26 2.49 0.35 1.90 0.40 0.57 -0.46 117.98 128.49 2g0k s PHE 76 Ca 0.45 -0.24 -0.28 0.00 -0.60 0.00 0.00 56.93 56.26 2g0k s PHE 76 Cb -0.02 -4.45 -0.12 0.00 0.51 0.00 0.00 43.02 38.94 2g0k s PHE 76 CO -0.05 -1.84 1.27 -0.11 0.70 0.00 0.00 175.22 175.19 2g0k n LEU 77 N 8.53 3.46 -0.32 -0.37 7.94 0.11 0.31 117.00 136.65 2g0k n LEU 77 Ca 0.00 1.20 0.16 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.47 -1.47 0.36 0.00 0.53 0.00 0.00 43.42 43.31 2g0k n LEU 77 CO 0.68 -0.57 1.09 -0.26 -1.11 0.00 0.00 177.39 177.21 2g0k h PHE 78 N 2.46 0.80 0.00 1.96 -1.00 -1.87 1.73 116.94 121.02 2g0k h PHE 78 Ca -0.46 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.29 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.65 2g0k h PHE 78 CO 0.50 -0.04 0.12 0.22 -1.61 0.00 0.00 178.31 177.51 2g0k h ASP 79 N 0.44 0.00 0.00 2.17 3.58 -1.92 -3.44 116.42 117.25 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 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 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 -1.21 1.51 3.60 -0.78 0.00 0.59 -5.10 105.19 103.80 2g0k n GLY 80 Ca -0.02 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 3.66 -0.89 2.61 2.01 -1.14 -4.89 115.64 114.99 2g0k s THR 81 Ca 0.00 -0.84 -0.25 0.00 0.31 0.00 0.00 61.69 60.92 2g0k s THR 81 Cb 0.00 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2g0k s THR 81 CO 0.00 0.34 1.55 -0.13 -0.69 0.00 0.00 174.62 175.69 2g0k s ARG 82 N -1.57 3.20 0.03 4.92 0.52 -1.26 0.06 118.95 124.85 2g0k s ARG 82 Ca 0.18 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 2g0k s ARG 82 Cb -0.11 -4.94 -0.17 0.00 0.52 0.00 0.00 34.95 30.25 2g0k s ARG 82 CO 0.09 -2.48 1.30 2.35 0.02 0.00 0.00 175.30 176.58 2g0k h TRP 83 N 10.63 -0.82 0.00 -0.53 2.91 -1.14 -3.48 115.95 123.53 2g0k h TRP 83 Ca 0.03 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2g0k h TRP 83 Cb 1.03 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 2g0k h TRP 83 CO 1.21 -0.47 0.00 0.41 -1.03 0.00 0.00 178.44 178.56 2g0k n GLY 84 N -0.88 3.76 3.51 2.65 0.00 -1.19 -4.96 105.19 108.08 2g0k n GLY 84 Ca -0.12 -0.97 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.36 0.25 -3.07 2.61 -1.04 -1.26 -0.89 114.28 109.53 2g0k n THR 85 Ca 0.00 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.34 2g0k n THR 85 Cb 0.00 -2.06 -0.05 0.00 -1.82 0.00 0.00 70.33 66.40 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 7.79 4.74 -0.56 12.58 1.01 0.12 -4.85 120.40 141.23 2g0k s VAL 86 Ca 1.06 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 2g0k s VAL 86 Cb -0.63 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.25 2g0k s VAL 86 CO 0.43 -0.29 0.42 -1.81 0.00 0.00 0.00 175.10 173.85 2g0k s ASP 87 N -2.59 5.71 0.61 3.32 1.11 -1.26 -2.11 116.67 121.46 2g0k s ASP 87 Ca 0.52 -2.28 0.30 0.00 0.18 0.00 0.00 52.55 51.27 2g0k s ASP 87 Cb -0.10 -1.99 1.60 0.00 1.07 0.00 0.00 42.92 43.50 2g0k s ASP 87 CO 0.22 -0.58 1.97 0.00 1.18 0.00 0.00 175.17 177.97 2g0k n THR 89 N -3.48 0.01 -0.02 0.00 -2.24 -0.94 -3.51 114.28 104.11 2g0k n THR 89 Ca 0.03 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 2g0k n THR 89 Cb 0.47 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.44 0.32 -4.49 4.28 -1.04 0.48 -5.03 114.28 108.36 2g0k n THR 90 Ca 0.21 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 2g0k n THR 90 Cb 0.22 -0.52 -0.08 0.00 -1.82 0.00 0.00 70.33 68.12 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k s ALA 91 N -2.24 2.82 -0.20 2.41 0.00 -0.49 -5.06 121.76 119.00 2g0k s ALA 91 Ca -0.03 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 2g0k s ALA 91 Cb 0.03 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 2g0k s ALA 91 CO 0.27 -0.36 0.20 0.00 0.00 0.00 0.00 175.76 175.86 2g0k s ALA 92 N -3.24 3.63 0.20 0.00 0.00 -1.26 -4.63 121.76 116.47 2g0k s ALA 92 Ca 0.25 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2g0k s ALA 92 Cb 0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2g0k s ALA 92 CO 0.15 0.01 0.19 0.00 0.00 0.00 0.00 175.76 176.11 2g0k s GLN 94 N -3.45 0.23 0.22 0.00 -2.07 -1.06 0.77 119.66 114.29 2g0k s GLN 94 Ca 0.32 -0.30 0.07 0.00 -1.82 0.00 0.00 55.36 53.64 2g0k s GLN 94 Cb -0.09 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 2g0k s GLN 94 CO 0.25 -0.04 0.08 0.08 -1.32 0.00 0.00 175.29 174.34 2g0k s VAL 95 N -0.83 4.01 -0.03 3.63 1.01 -1.05 -1.97 120.40 125.17 2g0k s VAL 95 Ca -0.09 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 2g0k s VAL 95 Cb -0.06 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.35 2g0k s VAL 95 CO -0.00 -0.24 1.32 -0.83 0.00 0.00 0.00 175.10 175.35 2g0k s GLY 96 N -3.40 -0.36 -0.06 4.51 0.00 -0.53 -3.63 107.32 103.85 2g0k s GLY 96 Ca 0.31 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.63 2g0k s GLY 96 CO 0.22 1.53 -0.11 0.48 0.00 0.00 0.00 173.10 175.21 2g0k s LEU 97 N -3.20 1.64 0.02 0.66 2.34 0.83 0.43 118.68 121.40 2g0k s LEU 97 Ca 0.18 -0.27 0.04 0.00 0.06 0.00 0.00 54.13 54.14 2g0k s LEU 97 Cb 0.04 -0.76 -0.03 0.00 -0.56 0.00 0.00 46.19 44.87 2g0k s LEU 97 CO -0.04 0.04 -0.07 -0.44 -1.06 0.00 0.00 176.35 174.78 2g0k s SER 98 N 0.60 4.61 0.00 1.48 0.01 4.34 -2.77 113.70 121.97 2g0k s SER 98 Ca -0.12 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2g0k s SER 98 Cb -0.15 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2g0k s SER 98 CO 0.03 0.27 0.00 -0.90 0.41 0.00 0.00 173.24 173.05 2g0k n ASP 99 N 1.43 0.69 -0.01 2.44 5.75 -1.01 0.25 116.55 126.08 2g0k n ASP 99 Ca -0.15 -0.36 -0.12 0.00 -0.01 0.00 0.00 54.79 54.15 2g0k n ASP 99 Cb 0.52 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N 0.04 0.08 0.00 2.12 0.00 -1.92 -2.64 119.26 116.93 2g0k h ALA 100 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 100 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 179.25 178.84 2g0k h ALA 101 N 0.74 1.17 -0.79 0.00 0.00 -1.96 -3.46 119.26 114.96 2g0k h ALA 101 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2g0k h ALA 101 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2g0k n GLY 102 N -0.38 0.62 3.43 0.00 0.00 -1.00 -5.12 105.19 102.74 2g0k n GLY 102 Ca -0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 2g0k n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s ASN 103 N -1.90 2.21 -0.05 1.61 6.03 -1.26 -4.82 114.94 116.77 2g0k s ASN 103 Ca 0.00 -1.56 -0.29 0.00 -1.03 0.00 0.00 52.86 49.97 2g0k s ASN 103 Cb 0.00 0.33 0.10 0.00 -3.03 0.00 0.00 41.25 38.65 2g0k s ASN 103 CO 0.00 -0.84 1.32 -0.83 -2.03 0.00 0.00 177.10 174.72 2g0k s GLY 104 N -3.49 -0.17 0.87 0.45 0.00 -1.25 -2.41 107.32 101.31 2g0k s GLY 104 Ca 0.31 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 45.02 2g0k s GLY 104 CO 0.16 5.94 1.10 2.56 0.00 0.00 0.00 173.10 182.85 2g0k s PRO 105 N -2.02 1.51 0.07 2.90 0.04 -1.26 -4.26 135.00 131.97 2g0k s PRO 105 Ca 0.30 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 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 -0.02 -2.03 0.73 -0.85 0.04 0.00 0.00 177.00 174.87 2g0k n GLU 106 N -3.71 0.00 -1.49 4.56 0.28 -0.54 -4.48 120.64 115.26 2g0k n GLU 106 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.69 2g0k n GLU 106 Cb 0.56 -1.11 0.04 0.00 1.43 0.00 0.00 31.44 32.36 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 1.44 -1.32 3.03 -1.84 0.00 -1.26 -4.84 105.19 100.39 2g0k n GLY 107 Ca 0.16 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.67 1.96 -0.00 1.61 1.01 -1.24 -5.09 120.40 116.97 2g0k s VAL 108 Ca 0.69 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 2g0k s VAL 108 Cb -0.45 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 2g0k s VAL 108 CO 0.54 -0.02 0.41 0.00 0.00 0.00 0.00 175.10 176.03 2g0k s ALA 109 N 1.21 3.69 0.26 5.51 0.00 -1.26 -2.51 121.76 128.65 2g0k s ALA 109 Ca -0.07 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.76 2g0k s ALA 109 Cb -0.19 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2g0k s ALA 109 CO -0.06 0.46 0.08 0.42 0.00 0.00 0.00 175.76 176.66 2g0k s ILE 110 N -0.99 3.87 -0.16 0.00 1.01 0.23 -4.93 121.20 120.23 2g0k s ILE 110 Ca 0.24 -1.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.15 2g0k s ILE 110 Cb -0.17 -3.08 0.07 0.00 0.01 0.00 0.00 42.46 39.29 2g0k s ILE 110 CO 0.13 -0.36 0.17 -0.55 0.00 0.00 0.00 174.94 174.33 2g0k s SER 111 N -3.75 1.49 -0.21 3.58 0.15 -1.09 -4.00 113.70 109.87 2g0k s SER 111 Ca 0.32 -0.19 -0.17 0.00 0.70 0.00 0.00 55.95 56.61 2g0k s SER 111 Cb -0.07 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 2g0k s SER 111 CO 0.22 -0.31 0.43 -0.36 1.20 0.00 0.00 173.24 174.42 2g0k s PHE 112 N 2.26 3.36 0.00 3.44 0.40 -1.26 -3.76 117.98 122.42 2g0k s PHE 112 Ca 0.05 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 2g0k s PHE 112 Cb -0.15 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.81 2g0k s PHE 112 CO -0.10 -0.06 0.00 0.09 0.70 0.00 0.00 175.22 175.85