#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 1.34 1.11 0.00 0.00 -1.26 -4.78 121.76 118.16 2g0k s ALA 2 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 2g0k s ALA 2 Cb 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.95 2g0k s ALA 2 CO 0.00 0.33 0.66 -0.35 0.00 0.00 0.00 175.76 176.40 2g0k n PRO 3 N 2.63 -1.86 -3.38 0.00 -0.04 -1.26 -4.14 135.00 126.94 2g0k n PRO 3 Ca -0.15 -1.05 -0.43 0.00 -0.04 0.00 0.00 63.50 61.83 2g0k n PRO 3 Cb 0.54 -0.90 -0.09 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.27 5.17 -0.03 0.52 -1.32 -0.80 -1.87 115.64 115.03 2g0k s THR 4 Ca 0.41 -0.59 0.06 0.00 -1.21 0.00 0.00 61.69 60.37 2g0k s THR 4 Cb -0.03 -4.02 -0.01 0.00 -1.51 0.00 0.00 72.50 66.93 2g0k s THR 4 CO 0.31 -0.41 -0.21 0.00 -2.21 0.00 0.00 174.62 172.10 2g0k s ALA 5 N 1.90 1.78 -0.33 11.08 0.00 -1.24 0.68 121.76 135.62 2g0k s ALA 5 Ca 0.08 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 2g0k s ALA 5 Cb -0.19 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2g0k s ALA 5 CO 0.11 0.39 0.15 0.95 0.00 0.00 0.00 175.76 177.35 2g0k s THR 6 N -0.28 4.32 0.18 0.00 -4.23 1.61 -4.80 115.64 112.44 2g0k s THR 6 Ca 0.02 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.84 2g0k s THR 6 Cb -0.10 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 2g0k s THR 6 CO 0.01 -0.08 0.13 0.68 -0.54 0.00 0.00 174.62 174.82 2g0k s VAL 7 N 1.53 4.38 1.25 2.29 -7.23 -1.25 -0.42 120.40 120.95 2g0k s VAL 7 Ca 0.02 -1.20 -0.20 0.00 -1.81 0.00 0.00 61.98 58.80 2g0k s VAL 7 Cb -0.18 -3.26 0.30 0.00 0.56 0.00 0.00 36.38 33.80 2g0k s VAL 7 CO 0.05 -0.16 1.06 0.28 -0.31 0.00 0.00 175.10 176.01 2g0k s THR 8 N -1.83 1.53 -0.20 5.32 -1.32 0.25 -4.87 115.64 114.51 2g0k s THR 8 Ca 0.31 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.50 2g0k s THR 8 Cb -0.09 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.52 2g0k s THR 8 CO 0.23 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.92 2g0k s PRO 9 N -5.25 4.01 -0.50 7.08 0.04 -1.26 -4.73 135.00 134.39 2g0k s PRO 9 Ca 0.70 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2g0k s PRO 9 Cb -0.12 -3.91 0.43 0.00 0.04 0.00 0.00 34.50 30.94 2g0k s PRO 9 CO 0.57 -1.01 1.47 -1.13 0.04 0.00 0.00 177.00 176.94 2g0k n SER 10 N 7.50 5.85 -3.94 6.66 3.41 -1.26 -4.88 113.62 126.96 2g0k n SER 10 Ca 0.16 -3.76 -0.31 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.62 2g0k n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2g0k s SER 11 N -2.81 4.15 0.00 4.04 0.01 -1.23 -2.00 113.70 115.85 2g0k s SER 11 Ca 0.53 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2g0k s SER 11 Cb 0.43 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2g0k s SER 11 CO -0.12 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2g0k n GLY 12 N 4.58 1.04 3.77 3.44 0.00 -1.21 -4.79 105.19 112.02 2g0k n GLY 12 Ca -0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.11 4.29 0.35 0.99 1.43 -1.26 -4.76 118.68 119.61 2g0k s LEU 13 Ca 0.00 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 2g0k s LEU 13 Cb 0.00 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2g0k s LEU 13 CO 0.00 0.20 0.53 -0.44 0.23 0.00 0.00 176.35 176.87 2g0k s SER 14 N -0.01 6.07 0.47 2.29 0.01 -1.26 -4.76 113.70 116.51 2g0k s SER 14 Ca 0.15 0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.34 2g0k s SER 14 Cb -0.13 -1.62 -0.10 0.00 0.21 0.00 0.00 66.02 64.38 2g0k s SER 14 CO 0.03 -0.42 0.73 -0.67 0.41 0.00 0.00 173.24 173.33 2g0k n ASP 15 N -1.76 -0.07 0.00 2.44 -0.08 -1.26 -1.62 116.55 114.20 2g0k n ASP 15 Ca -0.02 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 2g0k n ASP 15 Cb 0.57 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.80 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g0k n GLY 16 N 1.54 3.22 3.75 0.27 0.00 -1.12 -5.03 105.19 107.83 2g0k n GLY 16 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.32 2.38 -0.20 2.61 2.01 -0.64 -4.85 115.64 114.64 2g0k s THR 17 Ca 0.00 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 2g0k s THR 17 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2g0k s THR 17 CO 0.00 -0.02 -0.06 0.54 -0.69 0.00 0.00 174.62 174.39 2g0k s VAL 18 N -1.42 3.34 0.32 3.82 0.11 -1.26 -1.76 120.40 123.54 2g0k s VAL 18 Ca 0.73 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2g0k s VAL 18 Cb -0.36 -2.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 2g0k s VAL 18 CO 0.41 0.45 0.49 0.68 -3.33 0.00 0.00 175.10 173.80 2g0k s VAL 19 N 1.17 4.89 0.13 2.04 -7.23 0.12 -4.96 120.40 116.56 2g0k s VAL 19 Ca 0.02 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2g0k s VAL 19 Cb -0.14 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 2g0k s VAL 19 CO -0.01 -0.40 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.52 2g0k s LYS 20 N -4.21 2.06 -0.24 4.82 2.36 -1.26 -1.80 119.74 121.47 2g0k s LYS 20 Ca 0.40 -1.11 -0.03 0.00 -2.55 0.00 0.00 55.97 52.68 2g0k s LYS 20 Cb -0.09 -2.24 0.13 0.00 -1.05 0.00 0.00 37.83 34.57 2g0k s LYS 20 CO 0.33 0.48 0.35 0.54 1.55 0.00 0.00 175.35 178.60 2g0k s VAL 21 N -1.33 -0.55 -0.18 4.02 0.11 -0.79 -0.58 120.40 121.10 2g0k s VAL 21 Ca 0.22 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2g0k s VAL 21 Cb -0.10 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2g0k s VAL 21 CO 0.14 -0.14 -0.11 0.00 -3.33 0.00 0.00 175.10 171.66 2g0k s ALA 22 N 2.50 1.87 0.00 1.54 0.00 0.44 -2.18 121.76 125.94 2g0k s ALA 22 Ca 0.12 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2g0k s ALA 22 Cb -0.15 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2g0k s ALA 22 CO -0.15 -0.67 0.37 0.20 0.00 0.00 0.00 175.76 175.51 2g0k s GLY 23 N 1.46 2.41 -0.11 0.00 0.00 -0.98 0.46 107.32 110.57 2g0k s GLY 23 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2g0k s GLY 23 CO -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 173.10 173.01 2g0k s ALA 24 N -1.14 0.99 0.00 3.20 0.00 3.18 -3.21 121.76 124.78 2g0k s ALA 24 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2g0k s ALA 24 Cb -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2g0k s ALA 24 CO 0.13 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2g0k n GLY 25 N 5.05 1.45 1.46 0.00 0.00 -1.26 -1.91 105.19 109.98 2g0k n GLY 25 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 4.77 -1.06 -4.75 117.00 112.29 2g0k n LEU 26 Ca 0.00 -0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 2g0k n LEU 26 Cb 0.00 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2g0k n LEU 26 CO 0.00 -0.76 0.87 -1.10 -1.33 0.00 0.00 177.39 175.07 2g0k s GLN 27 N -3.69 4.27 0.29 3.23 1.11 -1.26 -4.66 119.66 118.94 2g0k s GLN 27 Ca 0.26 1.31 -0.29 0.00 0.01 0.00 0.00 55.36 56.65 2g0k s GLN 27 Cb -0.01 -3.63 -0.10 0.00 -1.01 0.00 0.00 33.01 28.26 2g0k s GLN 27 CO 0.18 -0.57 1.43 0.00 0.01 0.00 0.00 175.29 176.33 2g0k s ALA 28 N 2.99 3.60 0.00 6.09 0.00 -1.26 -1.44 121.76 131.74 2g0k s ALA 28 Ca 0.43 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2g0k s ALA 28 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2g0k s ALA 28 CO 0.08 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2g0k n GLY 29 N 1.68 0.28 3.84 0.00 0.00 0.03 -4.98 105.19 106.04 2g0k n GLY 29 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.65 4.63 -0.16 2.61 -1.32 -0.52 -4.83 115.64 114.40 2g0k s THR 30 Ca 0.00 1.07 -0.08 0.00 -1.21 0.00 0.00 61.69 61.47 2g0k s THR 30 Cb 0.00 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 2g0k s THR 30 CO 0.00 -0.06 0.12 0.00 -2.21 0.00 0.00 174.62 172.47 2g0k s ALA 31 N -1.84 3.71 0.07 11.08 0.00 -1.26 -1.37 121.76 132.15 2g0k s ALA 31 Ca 0.51 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2g0k s ALA 31 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 2g0k s ALA 31 CO 0.18 0.38 -0.18 0.71 0.00 0.00 0.00 175.76 176.85 2g0k s TYR 32 N -0.28 1.54 -0.25 0.00 2.02 -1.01 -3.35 117.35 116.02 2g0k s TYR 32 Ca 0.11 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2g0k s TYR 32 Cb -0.12 -0.89 0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2g0k s TYR 32 CO 0.01 0.11 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.50 2g0k s ASP 33 N -1.49 4.25 0.16 2.29 1.01 1.67 -3.11 116.67 121.45 2g0k s ASP 33 Ca 0.04 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.27 2g0k s ASP 33 Cb -0.09 -1.62 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 2g0k s ASP 33 CO 0.02 -0.14 0.36 -0.69 0.21 0.00 0.00 175.17 174.94 2g0k s VAL 34 N 1.26 5.21 -0.15 -1.27 1.01 0.61 0.70 120.40 127.77 2g0k s VAL 34 Ca -0.02 -0.19 -0.34 0.00 0.00 0.00 0.00 61.98 61.42 2g0k s VAL 34 Cb -0.17 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2g0k s VAL 34 CO -0.05 -0.05 1.34 -0.83 0.00 0.00 0.00 175.10 175.51 2g0k s GLY 35 N -2.77 -0.35 -0.23 4.51 0.00 2.59 -0.46 107.32 110.60 2g0k s GLY 35 Ca 0.39 1.31 -0.04 0.00 0.00 0.00 0.00 44.72 46.38 2g0k s GLY 35 CO 0.27 0.37 -0.03 1.62 0.00 0.00 0.00 173.10 175.33 2g0k s GLN 36 N -2.21 3.22 0.47 2.90 0.74 -1.25 0.26 119.66 123.79 2g0k s GLN 36 Ca 0.13 -0.73 0.07 0.00 0.05 0.00 0.00 55.36 54.88 2g0k s GLN 36 Cb 0.03 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 31.10 2g0k s GLN 36 CO -0.04 -0.27 0.39 0.00 -0.55 0.00 0.00 175.29 174.82 2g0k s ALA 38 N -2.60 -1.19 0.04 0.00 0.00 0.11 -2.12 121.76 116.00 2g0k s ALA 38 Ca 0.43 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 2g0k s ALA 38 Cb -0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 2g0k s ALA 38 CO 0.26 -0.57 1.64 -0.46 0.00 0.00 0.00 175.76 176.62 2g0k s TRP 39 N 2.16 2.34 -0.22 0.00 -0.00 -1.25 -0.59 118.94 121.38 2g0k s TRP 39 Ca -0.05 0.32 -0.03 0.00 -0.00 0.00 0.00 56.10 56.33 2g0k s TRP 39 Cb -0.10 -3.94 -0.12 0.00 -0.00 0.00 0.00 33.47 29.31 2g0k s TRP 39 CO -0.13 -3.79 -0.22 1.33 -0.00 0.00 0.00 176.95 174.14 2g0k n VAL 40 N 4.88 1.21 -4.14 5.86 0.24 -0.24 -4.83 118.33 121.31 2g0k n VAL 40 Ca 0.16 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 2g0k n VAL 40 Cb 0.41 -1.46 -0.09 0.00 -1.47 0.00 0.00 33.84 31.24 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 -6.41 0.10 -0.19 -1.34 1.01 0.33 -5.01 116.67 105.16 2g0k s ASP 41 Ca -0.29 -1.26 -0.31 0.00 0.71 0.00 0.00 52.55 51.39 2g0k s ASP 41 Cb 0.09 0.42 -0.08 0.00 1.01 0.00 0.00 42.92 44.36 2g0k s ASP 41 CO 0.45 -0.90 2.11 0.41 0.21 0.00 0.00 175.17 177.45 2g0k n THR 42 N -0.28 0.41 -0.91 -1.27 -1.04 -1.26 0.52 114.28 110.45 2g0k n THR 42 Ca 0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2g0k n THR 42 Cb 0.65 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g0k n GLY 43 N 5.51 0.48 2.99 3.41 0.00 -1.26 -4.96 105.19 111.38 2g0k n GLY 43 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.30 1.97 0.31 1.61 1.01 0.18 -5.11 120.40 118.08 2g0k s VAL 44 Ca 0.00 -1.82 0.10 0.00 0.00 0.00 0.00 61.98 60.26 2g0k s VAL 44 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2g0k s VAL 44 CO 0.00 -0.33 -0.07 -1.48 0.00 0.00 0.00 175.10 173.22 2g0k s LEU 45 N 1.12 2.87 -0.01 3.92 0.05 -1.26 0.12 118.68 125.49 2g0k s LEU 45 Ca 0.01 -0.98 0.07 0.00 0.05 0.00 0.00 54.13 53.29 2g0k s LEU 45 Cb -0.19 -1.28 -0.02 0.00 -2.05 0.00 0.00 46.19 42.65 2g0k s LEU 45 CO -0.08 -0.12 -0.23 0.00 -0.55 0.00 0.00 176.35 175.37 2g0k s ALA 46 N -2.50 1.90 0.11 1.48 0.00 0.24 -3.81 121.76 119.18 2g0k s ALA 46 Ca 0.32 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2g0k s ALA 46 Cb -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2g0k s ALA 46 CO 0.18 0.46 -0.00 0.00 0.00 0.00 0.00 175.76 176.40 2g0k s ASN 48 N -2.42 5.49 0.00 0.00 2.47 -0.96 0.10 114.94 119.62 2g0k s ASN 48 Ca 0.26 -1.47 0.20 0.00 0.42 0.00 0.00 52.86 52.27 2g0k s ASN 48 Cb -0.11 -1.93 1.13 0.00 -1.45 0.00 0.00 41.25 38.89 2g0k s ASN 48 CO 0.18 -0.48 1.57 -0.81 -3.72 0.00 0.00 177.10 173.85 2g0k n PRO 49 N 4.84 0.54 0.03 0.43 -0.04 -1.26 -1.98 135.00 137.56 2g0k n PRO 49 Ca -0.10 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2g0k n PRO 49 Cb 0.43 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.52 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 3.38 -1.28 0.55 0.00 -1.26 -3.95 120.51 116.88 2g0k n ALA 50 Ca 0.14 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2g0k n ALA 50 Cb 0.09 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.83 1.47 -4.53 0.00 5.68 -0.84 -5.00 116.55 111.49 2g0k n ASP 51 Ca 0.04 -2.56 -0.42 0.00 -0.50 0.00 0.00 54.79 51.34 2g0k n ASP 51 Cb 0.40 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 2g0k n ASP 51 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2g0k s PHE 52 N -1.69 2.60 0.69 2.11 2.19 -1.13 -4.10 117.98 118.66 2g0k s PHE 52 Ca 0.18 -0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.45 2g0k s PHE 52 Cb 0.16 -4.36 0.12 0.00 -1.31 0.00 0.00 43.02 37.62 2g0k s PHE 52 CO 0.02 -1.64 0.95 0.45 1.83 0.00 0.00 175.22 176.83 2g0k s SER 53 N 3.23 4.52 0.04 6.13 0.15 0.39 -4.94 113.70 123.22 2g0k s SER 53 Ca 0.33 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.45 2g0k s SER 53 Cb -0.11 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2g0k s SER 53 CO 0.18 -1.74 0.21 -0.94 1.20 0.00 0.00 173.24 172.15 2g0k s SER 54 N -4.71 0.02 -0.06 5.45 1.04 -1.26 -1.99 113.70 112.19 2g0k s SER 54 Ca 0.65 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.41 2g0k s SER 54 Cb -0.06 0.30 0.11 0.00 0.10 0.00 0.00 66.02 66.47 2g0k s SER 54 CO 0.43 -0.58 0.91 0.54 0.98 0.00 0.00 173.24 175.53 2g0k s VAL 55 N -2.67 0.00 -0.09 5.02 0.11 -1.18 -4.96 120.40 116.63 2g0k s VAL 55 Ca -0.04 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2g0k s VAL 55 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2g0k s VAL 55 CO -0.04 0.00 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.63 2g0k s THR 56 N -2.31 1.76 0.07 5.04 2.01 -1.26 -2.39 115.64 118.55 2g0k s THR 56 Ca 0.02 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 2g0k s THR 56 Cb -0.01 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.89 2g0k s THR 56 CO -0.04 0.49 1.63 0.00 -0.69 0.00 0.00 174.62 176.01 2g0k s ALA 57 N 0.41 3.68 1.01 7.40 0.00 -0.47 -4.73 121.76 129.07 2g0k s ALA 57 Ca -0.17 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 2g0k s ALA 57 Cb -0.17 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.28 2g0k s ALA 57 CO 0.07 -1.08 0.04 -0.40 0.00 0.00 0.00 175.76 174.40 2g0k n ASP 58 N 5.51 -0.89 0.30 0.00 5.68 -0.95 -0.79 116.55 125.41 2g0k n ASP 58 Ca 0.16 -0.59 0.16 0.00 -0.50 0.00 0.00 54.79 54.01 2g0k n ASP 58 Cb 0.41 -0.04 0.92 0.00 -1.14 0.00 0.00 41.12 41.27 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 -2.02 1.31 -0.14 2.12 0.00 -1.94 0.18 119.26 118.76 2g0k h ALA 59 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g0k h ALA 59 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g0k h ALA 59 CO 0.01 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.40 2g0k n ASN 60 N -3.57 0.99 -0.62 0.00 3.02 -1.26 -4.86 115.26 108.96 2g0k n ASN 60 Ca -0.02 -1.78 -0.08 0.00 -0.03 0.00 0.00 54.58 52.67 2g0k n ASN 60 Cb 0.14 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g0k n GLY 61 N 0.90 0.80 3.69 7.41 0.00 0.64 -4.64 105.19 113.99 2g0k n GLY 61 Ca 0.11 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.32 5.84 -0.11 1.61 0.15 -1.26 -2.56 113.70 115.05 2g0k s SER 62 Ca 0.00 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2g0k s SER 62 Cb 0.00 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.35 2g0k s SER 62 CO 0.00 0.22 -0.13 0.00 1.20 0.00 0.00 173.24 174.53 2g0k s ALA 63 N 0.11 1.55 -0.11 5.45 0.00 -1.20 -2.24 121.76 125.33 2g0k s ALA 63 Ca 0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2g0k s ALA 63 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2g0k s ALA 63 CO 0.00 -0.18 -0.07 -1.54 0.00 0.00 0.00 175.76 173.97 2g0k s SER 64 N 1.19 4.55 0.01 0.00 1.04 -1.26 -2.31 113.70 116.92 2g0k s SER 64 Ca -0.03 -0.13 -0.27 0.00 0.48 0.00 0.00 55.95 56.00 2g0k s SER 64 Cb -0.14 -1.49 0.06 0.00 0.10 0.00 0.00 66.02 64.56 2g0k s SER 64 CO -0.04 0.25 0.60 -0.89 0.98 0.00 0.00 173.24 174.14 2g0k s THR 65 N -0.12 0.01 -0.12 2.02 2.01 -0.92 -4.94 115.64 113.57 2g0k s THR 65 Ca 0.01 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 2g0k s THR 65 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 65 CO 0.03 -0.05 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.35 2g0k s SER 66 N -1.62 4.16 0.21 3.53 0.01 -1.26 -1.88 113.70 116.85 2g0k s SER 66 Ca -0.08 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 56.96 2g0k s SER 66 Cb -0.01 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 2g0k s SER 66 CO 0.03 0.19 0.19 -0.22 0.41 0.00 0.00 173.24 173.84 2g0k s LEU 67 N 0.21 3.88 -0.19 2.44 0.20 -0.75 -4.91 118.68 119.56 2g0k s LEU 67 Ca -0.07 -0.15 -0.07 0.00 0.69 0.00 0.00 54.13 54.54 2g0k s LEU 67 Cb -0.15 -2.45 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 2g0k s LEU 67 CO 0.05 0.01 0.05 0.28 -0.29 0.00 0.00 176.35 176.45 2g0k s THR 68 N -1.93 4.52 -0.12 3.68 -1.32 -1.26 -0.70 115.64 118.51 2g0k s THR 68 Ca 0.32 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.43 2g0k s THR 68 Cb -0.09 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 2g0k s THR 68 CO 0.25 0.43 0.82 -0.69 -2.21 0.00 0.00 174.62 173.22 2g0k s VAL 69 N 0.67 4.92 0.07 5.08 1.01 -0.72 -4.89 120.40 126.54 2g0k s VAL 69 Ca 0.02 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.74 2g0k s VAL 69 Cb -0.13 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2g0k s VAL 69 CO 0.02 0.10 -0.26 -0.13 0.00 0.00 0.00 175.10 174.83 2g0k s ARG 70 N 1.63 1.71 0.00 2.72 3.00 -1.26 -2.78 118.95 123.97 2g0k s ARG 70 Ca 0.40 -1.17 0.26 0.00 0.00 0.00 0.00 55.73 55.22 2g0k s ARG 70 Cb -0.17 -1.97 0.62 0.00 0.00 0.00 0.00 34.95 33.43 2g0k s ARG 70 CO 0.16 0.50 1.49 2.89 0.00 0.00 0.00 175.30 180.34 2g0k n ARG 71 N 1.53 0.32 -3.64 3.54 0.00 -1.26 -4.54 116.66 112.61 2g0k n ARG 71 Ca -0.17 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.85 57.47 2g0k n ARG 71 Cb 0.52 -1.50 -0.04 0.00 -0.00 0.00 0.00 32.46 31.44 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2g0k s SER 72 N -2.81 -0.07 -0.24 2.89 1.04 -1.25 0.22 113.70 113.48 2g0k s SER 72 Ca 0.16 0.07 -0.33 0.00 0.48 0.00 0.00 55.95 56.34 2g0k s SER 72 Cb 0.18 0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 72 CO 0.63 -0.06 1.28 0.72 0.98 0.00 0.00 173.24 176.78 2g0k s PHE 73 N -1.01 -0.10 -0.31 5.02 -0.12 -0.32 -4.92 117.98 116.21 2g0k s PHE 73 Ca 0.08 0.12 -0.37 0.00 -0.05 0.00 0.00 56.93 56.71 2g0k s PHE 73 Cb -0.01 0.50 -0.13 0.00 -0.63 0.00 0.00 43.02 42.74 2g0k s PHE 73 CO -0.07 -0.12 2.01 -0.85 -0.05 0.00 0.00 175.22 176.14 2g0k n GLU 74 N 0.28 1.13 -2.15 1.99 0.00 -1.26 0.15 120.64 120.77 2g0k n GLU 74 Ca -0.00 0.36 -0.32 0.00 0.00 0.00 0.00 57.16 57.20 2g0k n GLU 74 Cb 0.58 -2.29 -0.04 0.00 0.00 0.00 0.00 31.44 29.69 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 5.64 0.39 -0.72 -1.84 0.00 0.29 -4.29 107.32 106.79 2g0k s GLY 75 Ca 1.05 -1.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 2g0k s GLY 75 CO 0.56 3.31 1.14 -1.36 0.00 0.00 0.00 173.10 176.75 2g0k s PHE 76 N 8.85 2.48 0.18 1.90 0.08 0.28 -0.17 117.98 131.59 2g0k s PHE 76 Ca 0.64 -0.34 -0.32 0.00 0.12 0.00 0.00 56.93 57.03 2g0k s PHE 76 Cb -0.07 -4.48 -0.12 0.00 -0.57 0.00 0.00 43.02 37.78 2g0k s PHE 76 CO 0.03 -1.87 1.73 -0.11 -0.10 0.00 0.00 175.22 174.90 2g0k n LEU 77 N 8.55 3.87 -0.35 -0.37 7.94 0.93 0.97 117.00 138.53 2g0k n LEU 77 Ca 0.02 1.05 0.28 0.00 -1.11 0.00 0.00 56.01 56.25 2g0k n LEU 77 Cb 0.47 -1.55 0.59 0.00 0.53 0.00 0.00 43.42 43.47 2g0k n LEU 77 CO 0.67 0.11 1.25 2.19 -1.11 0.00 0.00 177.39 180.50 2g0k h PHE 78 N 6.99 0.47 0.00 1.96 -5.15 -1.86 1.57 116.94 120.92 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.21 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 37.25 2g0k h PHE 78 CO 0.67 0.00 0.10 0.22 -2.00 0.00 0.00 178.31 177.29 2g0k h ASP 79 N 0.24 0.00 0.00 -0.68 1.82 -1.92 -3.44 116.42 112.45 2g0k h ASP 79 Ca 0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 2g0k h ASP 79 Cb 1.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.90 2g0k h ASP 79 CO -0.24 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 2g0k n GLY 80 N -1.23 1.60 3.48 -0.78 0.00 0.54 -5.10 105.19 103.69 2g0k n GLY 80 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 2.76 -0.74 2.61 2.01 -1.05 -4.94 115.64 114.29 2g0k s THR 81 Ca 0.00 -1.61 -0.22 0.00 0.31 0.00 0.00 61.69 60.17 2g0k s THR 81 Cb 0.00 -2.28 0.08 0.00 0.01 0.00 0.00 72.50 70.31 2g0k s THR 81 CO 0.00 0.06 1.05 -0.60 -0.69 0.00 0.00 174.62 174.44 2g0k s ARG 82 N -2.26 3.23 0.02 4.92 3.52 -1.26 -0.05 118.95 127.07 2g0k s ARG 82 Ca 0.18 -0.95 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 2g0k s ARG 82 Cb -0.10 -4.41 -0.16 0.00 -1.56 0.00 0.00 34.95 28.72 2g0k s ARG 82 CO 0.10 -1.87 1.27 2.35 -0.81 0.00 0.00 175.30 176.35 2g0k h TRP 83 N 9.50 -0.60 0.00 5.12 2.91 -0.91 -3.48 115.95 128.49 2g0k h TRP 83 Ca -0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2g0k h TRP 83 Cb 1.06 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2g0k h TRP 83 CO 1.04 -0.28 0.00 0.41 -1.03 0.00 0.00 178.44 178.58 2g0k n GLY 84 N -0.63 3.36 3.52 2.65 0.00 -1.20 -4.93 105.19 107.97 2g0k n GLY 84 Ca -0.11 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.76 0.20 -2.93 2.61 -1.04 -1.26 0.11 114.28 110.20 2g0k n THR 85 Ca 0.00 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.05 61.26 2g0k n THR 85 Cb 0.00 -2.11 -0.07 0.00 -1.82 0.00 0.00 70.33 66.33 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 8.50 4.44 -0.53 12.58 1.01 0.12 -4.81 120.40 141.72 2g0k s VAL 86 Ca 1.06 1.41 -0.01 0.00 0.00 0.00 0.00 61.98 64.43 2g0k s VAL 86 Cb -0.58 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.20 2g0k s VAL 86 CO 0.40 -0.10 0.32 -1.81 0.00 0.00 0.00 175.10 173.91 2g0k s ASP 87 N -1.99 5.05 0.59 3.32 1.11 -1.26 -1.18 116.67 122.31 2g0k s ASP 87 Ca 0.54 -2.61 0.29 0.00 0.18 0.00 0.00 52.55 50.95 2g0k s ASP 87 Cb -0.13 -1.80 1.49 0.00 1.07 0.00 0.00 42.92 43.56 2g0k s ASP 87 CO 0.18 -0.39 1.92 0.00 1.18 0.00 0.00 175.17 178.05 2g0k n THR 89 N -3.74 0.00 -0.01 0.00 -2.24 -1.16 -3.25 114.28 103.87 2g0k n THR 89 Ca 0.08 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 2g0k n THR 89 Cb 0.64 -0.47 -0.03 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 -0.97 0.18 -4.42 4.28 -1.04 0.55 -5.07 114.28 107.79 2g0k n THR 90 Ca 0.24 -0.13 -0.21 0.00 -2.04 0.00 0.00 64.05 61.90 2g0k n THR 90 Cb 0.11 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.99 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 -2.00 0.48 -2.72 2.41 0.00 -0.39 -5.06 120.51 113.23 2g0k n ALA 91 Ca -0.04 -1.74 -0.36 0.00 0.00 0.00 0.00 53.44 51.30 2g0k n ALA 91 Cb 0.48 1.17 -0.10 0.00 0.00 0.00 0.00 19.45 21.01 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 -2.93 3.52 0.14 0.00 0.00 -1.26 -4.60 121.76 116.63 2g0k s ALA 92 Ca 0.18 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2g0k s ALA 92 Cb 0.01 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2g0k s ALA 92 CO 0.12 -0.22 0.17 0.00 0.00 0.00 0.00 175.76 175.83 2g0k s GLN 94 N -2.96 0.27 0.25 0.00 -2.07 -0.90 0.34 119.66 114.60 2g0k s GLN 94 Ca 0.32 -0.18 0.06 0.00 -1.82 0.00 0.00 55.36 53.74 2g0k s GLN 94 Cb -0.11 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 2g0k s GLN 94 CO 0.25 -0.05 0.29 0.08 -1.32 0.00 0.00 175.29 174.54 2g0k s VAL 95 N -0.70 4.81 -0.12 3.63 1.01 -0.75 -0.35 120.40 127.93 2g0k s VAL 95 Ca -0.08 -1.18 -0.33 0.00 0.00 0.00 0.00 61.98 60.39 2g0k s VAL 95 Cb -0.05 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.85 2g0k s VAL 95 CO 0.00 -0.33 1.34 -0.83 0.00 0.00 0.00 175.10 175.29 2g0k s GLY 96 N -3.93 -0.39 -0.06 4.51 0.00 0.14 -3.15 107.32 104.45 2g0k s GLY 96 Ca 0.34 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.21 2g0k s GLY 96 CO 0.27 0.29 -0.06 0.48 0.00 0.00 0.00 173.10 174.08 2g0k s LEU 97 N -2.69 1.36 0.28 0.66 2.34 1.37 0.61 118.68 122.61 2g0k s LEU 97 Ca 0.13 -0.18 0.10 0.00 0.06 0.00 0.00 54.13 54.24 2g0k s LEU 97 Cb 0.04 -0.57 -0.05 0.00 -0.56 0.00 0.00 46.19 45.05 2g0k s LEU 97 CO -0.05 -0.04 -0.05 -0.44 -1.06 0.00 0.00 176.35 174.71 2g0k s SER 98 N 0.95 4.23 0.00 1.48 0.01 3.33 -2.42 113.70 121.29 2g0k s SER 98 Ca -0.10 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2g0k s SER 98 Cb -0.14 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2g0k s SER 98 CO 0.00 -0.04 0.00 -0.90 0.41 0.00 0.00 173.24 172.72 2g0k n ASP 99 N -0.84 1.15 -0.05 2.44 5.75 -1.12 0.47 116.55 124.35 2g0k n ASP 99 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.62 2g0k n ASP 99 Cb 0.60 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.54 0.23 0.00 2.12 0.00 -1.93 -2.60 119.26 117.62 2g0k h ALA 100 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 100 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2g0k h ALA 100 CO 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 179.25 178.65 2g0k h ALA 101 N 0.92 0.89 -0.34 0.00 0.00 -1.96 -3.47 119.26 115.30 2g0k h ALA 101 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2g0k h ALA 101 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2g0k h ALA 101 CO -0.01 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2g0k n GLY 102 N 0.52 0.49 3.47 0.00 0.00 -0.98 -5.12 105.19 103.57 2g0k n GLY 102 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.34 3.62 0.14 1.61 4.22 -1.26 -4.75 114.94 117.17 2g0k s ASN 103 Ca 0.00 -0.95 -0.24 0.00 -2.14 0.00 0.00 52.86 49.53 2g0k s ASN 103 Cb 0.00 -0.33 0.08 0.00 1.28 0.00 0.00 41.25 42.28 2g0k s ASN 103 CO 0.00 0.06 1.07 -0.83 -2.04 0.00 0.00 177.10 175.36 2g0k s GLY 104 N -3.28 -0.03 0.99 0.45 0.00 -1.25 -2.78 107.32 101.41 2g0k s GLY 104 Ca 0.27 -0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.75 2g0k s GLY 104 CO 0.14 2.06 1.12 2.56 0.00 0.00 0.00 173.10 178.98 2g0k s PRO 105 N -2.40 0.52 0.08 2.90 0.04 -1.26 -4.33 135.00 130.55 2g0k s PRO 105 Ca 0.20 0.31 -0.35 0.00 0.04 0.00 0.00 61.00 61.20 2g0k s PRO 105 Cb -0.01 -1.77 -0.19 0.00 0.04 0.00 0.00 34.50 32.57 2g0k s PRO 105 CO 0.03 -2.62 0.90 0.39 0.04 0.00 0.00 177.00 175.74 2g0k n GLU 106 N -4.06 0.10 -1.10 4.56 1.02 -0.78 -4.52 120.64 115.85 2g0k n GLU 106 Ca 0.07 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.88 2g0k n GLU 106 Cb 0.58 -1.37 0.06 0.00 -0.02 0.00 0.00 31.44 30.70 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g0k n GLY 107 N 1.72 -2.64 2.98 0.62 0.00 -1.26 -4.87 105.19 101.74 2g0k n GLY 107 Ca 0.19 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.05 1.91 0.08 1.61 1.01 -1.19 -5.07 120.40 116.70 2g0k s VAL 108 Ca 0.56 -1.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 2g0k s VAL 108 Cb -0.30 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 2g0k s VAL 108 CO 0.67 -0.33 0.66 0.00 0.00 0.00 0.00 175.10 176.10 2g0k s ALA 109 N 1.16 3.50 0.24 5.51 0.00 -1.26 -1.81 121.76 129.10 2g0k s ALA 109 Ca 0.01 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.24 2g0k s ALA 109 Cb -0.19 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2g0k s ALA 109 CO -0.09 0.29 -0.15 0.42 0.00 0.00 0.00 175.76 176.23 2g0k s ILE 110 N -0.82 2.77 -0.15 0.00 1.01 0.15 -4.91 121.20 119.25 2g0k s ILE 110 Ca 0.32 -2.11 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 2g0k s ILE 110 Cb -0.20 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 39.90 2g0k s ILE 110 CO 0.21 -0.29 0.34 -0.55 0.00 0.00 0.00 174.94 174.65 2g0k s SER 111 N -3.27 -0.30 -0.21 3.58 0.15 -0.85 -3.82 113.70 108.98 2g0k s SER 111 Ca 0.28 0.74 -0.10 0.00 0.70 0.00 0.00 55.95 57.57 2g0k s SER 111 Cb -0.06 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2g0k s SER 111 CO 0.15 -0.19 0.13 -0.36 1.20 0.00 0.00 173.24 174.17 2g0k s PHE 112 N 1.60 3.35 0.00 3.44 0.40 -1.26 -3.29 117.98 122.21 2g0k s PHE 112 Ca -0.07 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 2g0k s PHE 112 Cb -0.10 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.24 2g0k s PHE 112 CO -0.11 0.17 0.00 0.09 0.70 0.00 0.00 175.22 176.08