#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 3.51 1.09 0.00 0.00 -1.26 -4.69 121.76 120.41 2g0k s ALA 2 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 2g0k s ALA 2 Cb 0.00 -2.71 0.14 0.00 0.00 0.00 0.00 23.12 20.55 2g0k s ALA 2 CO 0.00 -0.20 0.55 -0.35 0.00 0.00 0.00 175.76 175.76 2g0k n PRO 3 N 4.20 -1.68 -3.36 0.00 -0.04 -1.26 -4.13 135.00 128.72 2g0k n PRO 3 Ca -0.06 -0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 62.09 2g0k n PRO 3 Cb 0.51 -0.75 -0.09 0.00 -0.04 0.00 0.00 33.50 33.13 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 -2.06 5.15 0.04 0.52 2.01 -0.84 -2.15 115.64 118.31 2g0k s THR 4 Ca 0.35 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.81 2g0k s THR 4 Cb -0.03 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2g0k s THR 4 CO 0.26 -0.46 -0.21 0.00 -0.69 0.00 0.00 174.62 173.52 2g0k s ALA 5 N 1.95 1.80 -0.34 7.40 0.00 -1.24 0.58 121.76 131.90 2g0k s ALA 5 Ca 0.09 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2g0k s ALA 5 Cb -0.19 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2g0k s ALA 5 CO 0.11 0.41 0.15 0.95 0.00 0.00 0.00 175.76 177.38 2g0k s THR 6 N -0.79 4.36 0.14 0.00 -4.23 0.78 -4.81 115.64 111.10 2g0k s THR 6 Ca 0.08 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 2g0k s THR 6 Cb -0.09 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2g0k s THR 6 CO 0.02 -0.08 -0.01 0.68 -0.54 0.00 0.00 174.62 174.69 2g0k s VAL 7 N 1.54 3.79 1.17 2.29 -7.23 -1.23 -0.64 120.40 120.09 2g0k s VAL 7 Ca 0.02 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 58.75 2g0k s VAL 7 Cb -0.18 -2.87 0.27 0.00 0.56 0.00 0.00 36.38 34.16 2g0k s VAL 7 CO 0.05 -0.02 1.08 0.28 -0.31 0.00 0.00 175.10 176.18 2g0k s THR 8 N -1.56 1.71 -0.18 5.32 -1.32 0.26 -4.87 115.64 115.00 2g0k s THR 8 Ca 0.26 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g0k s THR 8 Cb -0.10 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 8 CO 0.18 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.86 2g0k s PRO 9 N -5.18 4.07 -0.55 7.08 0.04 -1.26 -4.71 135.00 134.49 2g0k s PRO 9 Ca 0.69 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2g0k s PRO 9 Cb -0.14 -3.89 0.41 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.57 -0.94 1.52 -1.13 0.04 0.00 0.00 177.00 177.07 2g0k n SER 10 N 7.30 5.99 -3.86 6.66 3.41 -1.26 -4.88 113.62 126.99 2g0k n SER 10 Ca 0.16 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.63 3.94 0.00 4.04 0.01 -1.14 -1.54 113.70 116.38 2g0k s SER 11 Ca 0.52 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2g0k s SER 11 Cb 0.43 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2g0k s SER 11 CO -0.17 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2g0k n GLY 12 N 4.71 1.35 3.75 3.44 0.00 -1.23 -4.69 105.19 112.51 2g0k n GLY 12 Ca -0.06 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 4.21 0.43 0.99 1.43 -1.26 -4.84 118.68 119.63 2g0k s LEU 13 Ca 0.00 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2g0k s LEU 13 Cb 0.00 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2g0k s LEU 13 CO 0.00 0.23 0.39 -0.44 0.23 0.00 0.00 176.35 176.76 2g0k s SER 14 N 0.07 5.03 0.33 2.29 0.01 -1.26 -4.87 113.70 115.30 2g0k s SER 14 Ca 0.09 -0.78 -0.26 0.00 1.31 0.00 0.00 55.95 56.32 2g0k s SER 14 Cb -0.11 -0.48 -0.14 0.00 0.21 0.00 0.00 66.02 65.50 2g0k s SER 14 CO -0.01 -0.70 0.71 -0.67 0.41 0.00 0.00 173.24 172.98 2g0k n ASP 15 N -1.59 -0.15 0.00 2.44 -0.08 -1.26 -1.87 116.55 114.04 2g0k n ASP 15 Ca 0.04 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.37 2g0k n ASP 15 Cb 0.62 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.93 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 1.62 3.09 3.82 0.27 0.00 -1.26 -5.04 105.19 107.69 2g0k n GLY 16 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.82 4.19 -0.16 2.61 2.01 -0.78 -5.01 115.64 115.68 2g0k s THR 17 Ca 0.00 1.23 -0.00 0.00 0.31 0.00 0.00 61.69 63.23 2g0k s THR 17 Cb 0.00 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.99 2g0k s THR 17 CO 0.00 -0.42 -0.07 0.54 -0.69 0.00 0.00 174.62 173.98 2g0k s VAL 18 N -2.28 1.19 0.49 3.82 0.11 -1.26 -2.73 120.40 119.74 2g0k s VAL 18 Ca 0.63 -0.62 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 2g0k s VAL 18 Cb -0.12 -1.31 -0.09 0.00 -1.53 0.00 0.00 36.38 33.33 2g0k s VAL 18 CO 0.23 0.20 0.99 0.54 -3.33 0.00 0.00 175.10 173.72 2g0k s VAL 19 N 1.61 4.30 -0.02 2.04 0.11 0.65 -4.89 120.40 124.20 2g0k s VAL 19 Ca 0.01 1.27 0.01 0.00 -2.93 0.00 0.00 61.98 60.35 2g0k s VAL 19 Cb -0.15 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 2g0k s VAL 19 CO -0.08 -0.47 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.47 2g0k s LYS 20 N -3.61 2.81 -0.21 1.54 2.36 -1.26 -0.73 119.74 120.63 2g0k s LYS 20 Ca 0.62 -0.57 -0.04 0.00 -2.55 0.00 0.00 55.97 53.42 2g0k s LYS 20 Cb -0.11 -2.68 0.08 0.00 -1.05 0.00 0.00 37.83 34.07 2g0k s LYS 20 CO 0.23 0.64 0.12 0.14 1.55 0.00 0.00 175.35 178.03 2g0k s VAL 21 N -1.02 -0.12 -0.22 4.02 -7.23 -0.71 -0.58 120.40 114.54 2g0k s VAL 21 Ca 0.18 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 2g0k s VAL 21 Cb -0.11 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.14 2g0k s VAL 21 CO 0.08 -0.40 -0.11 0.00 -0.31 0.00 0.00 175.10 174.36 2g0k s ALA 22 N 2.16 2.58 0.20 1.32 0.00 0.19 -2.46 121.76 125.75 2g0k s ALA 22 Ca 0.05 -1.36 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 2g0k s ALA 22 Cb -0.16 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 2g0k s ALA 22 CO -0.18 -0.63 0.87 0.20 0.00 0.00 0.00 175.76 176.02 2g0k s GLY 23 N 1.32 3.03 -0.20 0.00 0.00 -0.98 0.27 107.32 110.76 2g0k s GLY 23 Ca 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 2g0k s GLY 23 CO -0.07 1.06 0.06 0.00 0.00 0.00 0.00 173.10 174.15 2g0k s ALA 24 N -1.12 0.84 0.00 3.20 0.00 2.40 -2.60 121.76 124.48 2g0k s ALA 24 Ca 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2g0k s ALA 24 Cb -0.25 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2g0k s ALA 24 CO 0.29 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2g0k n GLY 25 N 5.12 1.60 0.76 0.00 0.00 -1.26 -1.99 105.19 109.42 2g0k n GLY 25 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.94 -4.72 117.00 112.42 2g0k n LEU 26 Ca 0.00 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 2g0k n LEU 26 Cb 0.00 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2g0k n LEU 26 CO 0.00 -0.61 0.68 -1.10 -1.33 0.00 0.00 177.39 175.02 2g0k s GLN 27 N -3.06 4.36 0.29 3.23 -0.21 -1.26 -4.57 119.66 118.46 2g0k s GLN 27 Ca 0.13 1.18 -0.29 0.00 0.02 0.00 0.00 55.36 56.40 2g0k s GLN 27 Cb -0.01 -3.55 -0.10 0.00 1.00 0.00 0.00 33.01 30.36 2g0k s GLN 27 CO 0.09 -0.29 1.18 0.00 -2.12 0.00 0.00 175.29 174.15 2g0k s ALA 28 N 1.99 3.45 0.00 6.09 0.00 -1.26 -2.35 121.76 129.67 2g0k s ALA 28 Ca 0.43 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2g0k s ALA 28 Cb -0.17 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2g0k s ALA 28 CO 0.15 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2g0k n GLY 29 N 1.10 0.35 3.87 0.00 0.00 -0.99 -4.95 105.19 104.57 2g0k n GLY 29 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.80 5.06 0.07 2.61 -1.32 -0.99 -4.85 115.64 114.42 2g0k s THR 30 Ca 0.00 0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.89 2g0k s THR 30 Cb 0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.30 2g0k s THR 30 CO 0.00 0.22 0.26 0.00 -2.21 0.00 0.00 174.62 172.88 2g0k s ALA 31 N -1.48 3.93 0.02 11.08 0.00 -1.26 -0.88 121.76 133.17 2g0k s ALA 31 Ca 0.36 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2g0k s ALA 31 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2g0k s ALA 31 CO 0.19 0.76 -0.05 0.71 0.00 0.00 0.00 175.76 177.37 2g0k s TYR 32 N -1.51 0.47 -0.29 0.00 2.02 -0.91 -3.59 117.35 113.54 2g0k s TYR 32 Ca 0.35 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.71 2g0k s TYR 32 Cb -0.13 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2g0k s TYR 32 CO 0.25 -0.06 0.05 0.34 -1.57 0.00 0.00 175.55 174.56 2g0k s ASP 33 N -0.83 4.96 -0.10 2.29 -1.08 0.70 -3.10 116.67 119.50 2g0k s ASP 33 Ca -0.05 -0.86 -0.08 0.00 -0.52 0.00 0.00 52.55 51.04 2g0k s ASP 33 Cb -0.06 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 2g0k s ASP 33 CO -0.00 -0.20 0.18 -0.69 0.52 0.00 0.00 175.17 174.97 2g0k s VAL 34 N 1.43 5.44 0.16 1.11 1.01 0.12 0.72 120.40 130.40 2g0k s VAL 34 Ca 0.01 0.29 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2g0k s VAL 34 Cb -0.18 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.82 2g0k s VAL 34 CO 0.01 0.61 0.74 -0.83 0.00 0.00 0.00 175.10 175.63 2g0k s GLY 35 N -1.05 -0.38 -0.32 4.51 0.00 1.75 -0.25 107.32 111.59 2g0k s GLY 35 Ca 0.16 0.30 -0.02 0.00 0.00 0.00 0.00 44.72 45.16 2g0k s GLY 35 CO 0.05 0.10 0.03 1.62 0.00 0.00 0.00 173.10 174.90 2g0k s GLN 36 N -3.61 2.34 0.04 2.90 0.74 -1.25 -1.18 119.66 119.64 2g0k s GLN 36 Ca 0.06 -1.37 0.04 0.00 0.05 0.00 0.00 55.36 54.15 2g0k s GLN 36 Cb -0.02 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2g0k s GLN 36 CO -0.04 -0.70 -0.06 0.00 -0.55 0.00 0.00 175.29 173.94 2g0k s ALA 38 N -1.10 1.86 0.03 0.00 0.00 0.78 -2.33 121.76 121.00 2g0k s ALA 38 Ca 0.19 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2g0k s ALA 38 Cb -0.11 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2g0k s ALA 38 CO 0.11 0.42 1.66 -0.46 0.00 0.00 0.00 175.76 177.48 2g0k s TRP 39 N -0.36 2.24 -0.23 0.00 -0.00 -1.25 -0.64 118.94 118.70 2g0k s TRP 39 Ca 0.04 0.26 -0.04 0.00 -0.00 0.00 0.00 56.10 56.36 2g0k s TRP 39 Cb -0.10 -3.95 -0.13 0.00 -0.00 0.00 0.00 33.47 29.30 2g0k s TRP 39 CO 0.01 -3.88 -0.24 1.33 -0.00 0.00 0.00 176.95 174.16 2g0k n VAL 40 N 5.00 1.28 -4.42 5.86 0.24 -0.15 -4.82 118.33 121.33 2g0k n VAL 40 Ca 0.16 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.34 61.82 2g0k n VAL 40 Cb 0.41 -1.52 -0.07 0.00 -1.47 0.00 0.00 33.84 31.19 2g0k n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2g0k n ASP 41 N -3.55 0.65 -4.61 -1.34 8.00 0.50 -5.02 116.55 111.18 2g0k n ASP 41 Ca -0.42 -3.11 -0.43 0.00 0.71 0.00 0.00 54.79 51.54 2g0k n ASP 41 Cb 0.88 1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 43.14 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g0k s THR 42 N -3.12 3.57 -0.02 -3.53 2.01 -1.26 -1.69 115.64 111.60 2g0k s THR 42 Ca 0.26 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2g0k s THR 42 Cb 0.01 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2g0k s THR 42 CO 0.18 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 2g0k n GLY 43 N 5.21 0.43 2.93 4.40 0.00 -1.26 -5.00 105.19 111.91 2g0k n GLY 43 Ca 0.21 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.86 0.91 0.00 1.61 0.11 -0.68 -5.11 120.40 115.38 2g0k s VAL 44 Ca 0.00 -0.28 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 2g0k s VAL 44 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2g0k s VAL 44 CO 0.00 0.32 -0.08 -1.48 -3.33 0.00 0.00 175.10 170.53 2g0k s LEU 45 N 1.20 2.05 0.06 2.54 2.34 -1.26 -0.37 118.68 125.24 2g0k s LEU 45 Ca -0.05 -0.20 -0.05 0.00 0.06 0.00 0.00 54.13 53.88 2g0k s LEU 45 Cb -0.14 -0.38 -0.05 0.00 -0.56 0.00 0.00 46.19 45.06 2g0k s LEU 45 CO -0.02 0.06 0.30 0.00 -1.06 0.00 0.00 176.35 175.63 2g0k s ALA 46 N -0.35 3.85 0.09 1.48 0.00 0.18 -3.20 121.76 123.82 2g0k s ALA 46 Ca 0.01 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2g0k s ALA 46 Cb -0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2g0k s ALA 46 CO -0.00 0.68 0.04 0.00 0.00 0.00 0.00 175.76 176.48 2g0k s ASN 48 N -2.39 5.18 0.00 0.00 2.47 -0.86 0.14 114.94 119.48 2g0k s ASN 48 Ca 0.28 -1.27 0.20 0.00 0.42 0.00 0.00 52.86 52.49 2g0k s ASN 48 Cb -0.12 -1.82 1.16 0.00 -1.45 0.00 0.00 41.25 39.03 2g0k s ASN 48 CO 0.20 -0.33 1.58 -0.81 -3.72 0.00 0.00 177.10 174.02 2g0k n PRO 49 N 4.74 0.58 0.02 0.43 -0.04 -1.26 -2.07 135.00 137.40 2g0k n PRO 49 Ca -0.12 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 2g0k n PRO 49 Cb 0.44 -1.50 0.24 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 -1.03 3.23 -2.10 0.55 0.00 -1.26 -3.91 120.51 115.98 2g0k n ALA 50 Ca 0.14 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2g0k n ALA 50 Cb 0.08 -1.16 0.08 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.73 1.20 -4.58 0.00 9.92 -0.88 -5.03 116.55 115.46 2g0k n ASP 51 Ca 0.05 -2.66 -0.38 0.00 -0.53 0.00 0.00 54.79 51.27 2g0k n ASP 51 Cb 0.38 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.38 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2g0k s PHE 52 N -1.16 3.22 0.51 1.24 -0.12 -1.20 -3.80 117.98 116.66 2g0k s PHE 52 Ca 0.32 0.08 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 2g0k s PHE 52 Cb 0.34 -2.40 0.03 0.00 -0.63 0.00 0.00 43.02 40.37 2g0k s PHE 52 CO -0.11 -0.19 0.25 0.45 -0.05 0.00 0.00 175.22 175.57 2g0k n SER 53 N 5.07 2.90 -3.88 1.98 2.88 0.66 -4.96 113.62 118.27 2g0k n SER 53 Ca -0.14 -2.91 -0.09 0.00 -1.33 0.00 0.00 58.87 54.41 2g0k n SER 53 Cb 0.52 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.99 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 -3.91 0.14 0.04 -3.46 1.04 -1.26 -1.90 113.70 104.38 2g0k s SER 54 Ca 0.19 -0.60 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 2g0k s SER 54 Cb -0.02 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.50 2g0k s SER 54 CO 0.12 -0.65 0.88 0.54 0.98 0.00 0.00 173.24 175.11 2g0k s VAL 55 N -3.40 0.00 -0.09 5.02 0.11 -1.18 -4.98 120.40 115.88 2g0k s VAL 55 Ca 0.02 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2g0k s VAL 55 Cb 0.03 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 2g0k s VAL 55 CO -0.08 0.00 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -3.21 1.21 0.55 5.04 2.01 -1.26 -2.13 115.64 117.84 2g0k s THR 56 Ca 0.06 -0.48 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 2g0k s THR 56 Cb -0.01 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 2g0k s THR 56 CO -0.07 0.38 1.33 0.00 -0.69 0.00 0.00 174.62 175.57 2g0k n ALA 57 N 4.21 1.48 -1.95 7.40 0.00 -0.06 -4.86 120.51 126.73 2g0k n ALA 57 Ca -0.19 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2g0k n ALA 57 Cb 0.51 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.94 0.30 0.28 0.00 5.68 -0.88 -2.34 116.55 118.65 2g0k n ASP 58 Ca 0.11 -1.31 0.14 0.00 -0.50 0.00 0.00 54.79 53.22 2g0k n ASP 58 Cb 0.44 -0.28 0.84 0.00 -1.14 0.00 0.00 41.12 40.99 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0k h ALA 59 N -1.08 1.47 -0.04 2.12 0.00 -1.94 0.21 119.26 120.02 2g0k h ALA 59 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 59 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2g0k h ALA 59 CO 0.12 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2g0k n ASN 60 N -3.82 0.38 0.00 0.00 4.13 -1.26 -4.80 115.26 109.89 2g0k n ASN 60 Ca -0.03 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 54.73 2g0k n ASN 60 Cb 0.13 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 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 0.86 0.22 3.78 7.41 0.00 0.75 -4.69 105.19 113.52 2g0k n GLY 61 Ca 0.14 0.00 -0.37 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 -2.12 6.47 0.33 1.61 0.15 -1.26 -2.21 113.70 116.68 2g0k s SER 62 Ca 0.00 0.56 0.09 0.00 0.70 0.00 0.00 55.95 57.30 2g0k s SER 62 Cb 0.00 -2.16 -0.06 0.00 -1.71 0.00 0.00 66.02 62.09 2g0k s SER 62 CO 0.00 0.22 -0.09 0.00 1.20 0.00 0.00 173.24 174.57 2g0k s ALA 63 N -0.18 2.85 -0.13 5.45 0.00 -1.07 -2.07 121.76 126.60 2g0k s ALA 63 Ca 0.17 -2.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.00 2g0k s ALA 63 Cb -0.13 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.04 2g0k s ALA 63 CO 0.05 0.05 0.31 -1.12 0.00 0.00 0.00 175.76 175.05 2g0k s SER 64 N -3.58 -0.25 0.06 0.00 0.01 -1.26 -2.31 113.70 106.36 2g0k s SER 64 Ca 0.32 0.68 -0.27 0.00 1.31 0.00 0.00 55.95 57.99 2g0k s SER 64 Cb 0.03 0.62 0.07 0.00 0.21 0.00 0.00 66.02 66.95 2g0k s SER 64 CO 0.16 -0.19 0.64 -0.89 0.41 0.00 0.00 173.24 173.37 2g0k s THR 65 N 1.56 0.00 -0.16 1.44 2.01 -1.03 -4.93 115.64 114.53 2g0k s THR 65 Ca -0.07 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 2g0k s THR 65 Cb -0.10 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2g0k s THR 65 CO -0.10 0.00 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.25 2g0k s SER 66 N -2.01 3.78 -0.23 3.53 0.01 -1.26 -1.73 113.70 115.78 2g0k s SER 66 Ca -0.05 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 2g0k s SER 66 Cb -0.01 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2g0k s SER 66 CO -0.02 0.08 0.07 -0.22 0.41 0.00 0.00 173.24 173.56 2g0k s LEU 67 N 0.83 3.56 0.16 2.44 1.98 0.09 -4.88 118.68 122.86 2g0k s LEU 67 Ca -0.05 -0.11 -0.30 0.00 -2.89 0.00 0.00 54.13 50.78 2g0k s LEU 67 Cb -0.15 -1.94 -0.07 0.00 0.66 0.00 0.00 46.19 44.69 2g0k s LEU 67 CO 0.00 0.03 1.02 0.28 -1.89 0.00 0.00 176.35 175.79 2g0k s THR 68 N 1.21 4.15 -0.18 3.68 -1.32 -1.26 -0.25 115.64 121.67 2g0k s THR 68 Ca 0.05 1.88 -0.02 0.00 -1.21 0.00 0.00 61.69 62.38 2g0k s THR 68 Cb -0.14 -4.20 -0.01 0.00 -1.51 0.00 0.00 72.50 66.64 2g0k s THR 68 CO 0.03 0.33 -0.08 0.54 -2.21 0.00 0.00 174.62 173.24 2g0k s VAL 69 N -0.31 3.28 0.47 5.08 0.11 -1.11 -4.81 120.40 123.11 2g0k s VAL 69 Ca 0.47 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 2g0k s VAL 69 Cb -0.26 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 2g0k s VAL 69 CO 0.32 0.47 0.30 -0.13 -3.33 0.00 0.00 175.10 172.74 2g0k s ARG 70 N 0.91 2.31 0.00 1.54 3.00 -1.26 -4.16 118.95 121.29 2g0k s ARG 70 Ca -0.02 -1.86 0.21 0.00 0.00 0.00 0.00 55.73 54.07 2g0k s ARG 70 Cb -0.15 -2.10 -0.17 0.00 0.00 0.00 0.00 34.95 32.53 2g0k s ARG 70 CO 0.00 -0.33 0.94 2.89 0.00 0.00 0.00 175.30 178.81 2g0k n ARG 71 N -1.51 0.08 -3.60 3.54 1.85 -1.26 -4.62 116.66 111.14 2g0k n ARG 71 Ca -0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 57.85 56.68 2g0k n ARG 71 Cb 0.64 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.49 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2g0k s SER 72 N -2.97 -0.42 -0.24 2.89 1.04 -1.26 0.01 113.70 112.76 2g0k s SER 72 Ca 0.09 0.62 -0.34 0.00 0.48 0.00 0.00 55.95 56.80 2g0k s SER 72 Cb 0.16 0.56 0.16 0.00 0.10 0.00 0.00 66.02 67.00 2g0k s SER 72 CO 0.84 -0.27 1.27 0.72 0.98 0.00 0.00 173.24 176.78 2g0k s PHE 73 N -0.54 -0.10 -0.19 5.02 -0.12 -0.83 -4.94 117.98 116.28 2g0k s PHE 73 Ca -0.00 0.11 -0.33 0.00 -0.05 0.00 0.00 56.93 56.66 2g0k s PHE 73 Cb -0.02 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.77 2g0k s PHE 73 CO -0.01 -0.13 2.07 -0.85 -0.05 0.00 0.00 175.22 176.24 2g0k n GLU 74 N 0.18 1.84 -2.52 1.99 0.28 -1.26 -0.07 120.64 121.08 2g0k n GLU 74 Ca 0.00 0.59 -0.41 0.00 -0.16 0.00 0.00 57.16 57.19 2g0k n GLU 74 Cb 0.58 -2.77 -0.03 0.00 1.43 0.00 0.00 31.44 30.65 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2g0k s GLY 75 N 6.18 0.86 -0.66 -1.84 0.00 0.29 -4.06 107.32 108.09 2g0k s GLY 75 Ca 1.00 -1.26 -0.25 0.00 0.00 0.00 0.00 44.72 44.21 2g0k s GLY 75 CO 0.46 2.69 1.07 -1.36 0.00 0.00 0.00 173.10 175.97 2g0k s PHE 76 N 5.89 2.57 0.25 1.90 0.08 0.38 -1.07 117.98 127.99 2g0k s PHE 76 Ca 0.38 -0.23 -0.31 0.00 0.12 0.00 0.00 56.93 56.90 2g0k s PHE 76 Cb -0.08 -4.37 -0.14 0.00 -0.57 0.00 0.00 43.02 37.86 2g0k s PHE 76 CO 0.17 -1.73 1.32 -0.11 -0.10 0.00 0.00 175.22 174.77 2g0k n LEU 77 N 8.24 2.85 -0.34 -0.37 7.94 0.15 0.25 117.00 135.72 2g0k n LEU 77 Ca 0.00 1.16 0.21 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.47 -1.40 0.43 0.00 0.53 0.00 0.00 43.42 43.46 2g0k n LEU 77 CO 0.67 -0.68 1.14 -0.26 -1.11 0.00 0.00 177.39 177.15 2g0k h PHE 78 N 3.62 0.97 0.00 1.96 -1.00 -1.85 1.85 116.94 122.49 2g0k h PHE 78 Ca -0.44 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.29 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.58 2g0k h PHE 78 CO 0.54 -0.06 0.16 0.22 -1.61 0.00 0.00 178.31 177.57 2g0k h ASP 79 N 0.45 0.00 0.00 2.17 3.58 -1.90 -3.44 116.42 117.28 2g0k h ASP 79 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2g0k h ASP 79 Cb 1.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2g0k h ASP 79 CO -0.54 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.43 2g0k n GLY 80 N -1.22 1.57 3.56 -0.78 0.00 0.63 -5.10 105.19 103.85 2g0k n GLY 80 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 3.49 -0.90 2.61 2.01 -1.09 -4.90 115.64 114.86 2g0k s THR 81 Ca 0.00 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 2g0k s THR 81 Cb 0.00 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 70.09 2g0k s THR 81 CO 0.00 0.48 1.38 -0.60 -0.69 0.00 0.00 174.62 175.19 2g0k s ARG 82 N -1.14 3.41 0.03 4.92 3.52 -1.26 0.34 118.95 128.78 2g0k s ARG 82 Ca 0.15 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2g0k s ARG 82 Cb -0.11 -4.85 -0.17 0.00 -1.56 0.00 0.00 34.95 28.26 2g0k s ARG 82 CO 0.04 -2.19 1.34 2.35 -0.81 0.00 0.00 175.30 176.03 2g0k h TRP 83 N 9.92 -0.87 0.00 5.12 -0.00 -1.47 -3.48 115.95 125.17 2g0k h TRP 83 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 2g0k h TRP 83 Cb 1.03 0.29 0.00 0.00 -0.00 0.00 0.00 29.16 30.48 2g0k h TRP 83 CO 1.21 -0.51 0.00 0.41 -0.00 0.00 0.00 178.44 179.55 2g0k n GLY 84 N -1.00 1.79 3.57 2.65 0.00 -1.21 -4.95 105.19 106.04 2g0k n GLY 84 Ca -0.13 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.85 3.12 0.45 2.61 2.01 -1.26 0.10 115.64 120.83 2g0k s THR 85 Ca 0.00 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.90 2g0k s THR 85 Cb 0.00 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 2g0k s THR 85 CO 0.00 -0.20 0.97 0.54 -0.69 0.00 0.00 174.62 175.24 2g0k s VAL 86 N 9.87 4.35 -0.52 3.82 0.11 0.91 -4.77 120.40 134.17 2g0k s VAL 86 Ca 0.91 1.39 -0.09 0.00 -2.93 0.00 0.00 61.98 61.27 2g0k s VAL 86 Cb -0.22 -3.60 0.13 0.00 -1.53 0.00 0.00 36.38 31.16 2g0k s VAL 86 CO 0.29 -0.38 0.39 -1.81 -3.33 0.00 0.00 175.10 170.25 2g0k s ASP 87 N -2.34 5.72 0.62 3.54 1.11 -1.26 -1.97 116.67 122.08 2g0k s ASP 87 Ca 0.62 -2.09 0.29 0.00 0.18 0.00 0.00 52.55 51.55 2g0k s ASP 87 Cb -0.10 -2.00 1.55 0.00 1.07 0.00 0.00 42.92 43.44 2g0k s ASP 87 CO 0.17 -0.64 1.93 0.00 1.18 0.00 0.00 175.17 177.81 2g0k n THR 89 N -3.44 0.04 -0.03 0.00 -2.24 -1.22 -3.52 114.28 103.87 2g0k n THR 89 Ca 0.04 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 2g0k n THR 89 Cb 0.52 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.30 0.35 -4.44 4.28 -1.04 0.56 -5.06 114.28 108.64 2g0k n THR 90 Ca 0.19 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 2g0k n THR 90 Cb 0.23 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 68.21 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 -2.29 2.60 -0.17 2.41 0.00 -0.64 -5.06 121.76 118.61 2g0k s ALA 91 Ca -0.03 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 2g0k s ALA 91 Cb 0.03 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 2g0k s ALA 91 CO 0.31 -0.47 0.35 0.00 0.00 0.00 0.00 175.76 175.95 2g0k s ALA 92 N -3.26 3.56 0.13 0.00 0.00 -1.26 -4.64 121.76 116.29 2g0k s ALA 92 Ca 0.29 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.85 2g0k s ALA 92 Cb 0.02 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2g0k s ALA 92 CO 0.20 -0.05 0.15 0.00 0.00 0.00 0.00 175.76 176.06 2g0k s GLN 94 N -2.89 0.50 0.26 0.00 -2.07 -0.98 0.02 119.66 114.50 2g0k s GLN 94 Ca 0.31 -0.10 0.09 0.00 -1.82 0.00 0.00 55.36 53.84 2g0k s GLN 94 Cb -0.11 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 2g0k s GLN 94 CO 0.24 -0.12 0.06 0.08 -1.32 0.00 0.00 175.29 174.23 2g0k s VAL 95 N -0.92 3.74 -0.10 3.63 1.01 -1.03 -1.64 120.40 125.09 2g0k s VAL 95 Ca -0.10 -1.76 -0.33 0.00 0.00 0.00 0.00 61.98 59.79 2g0k s VAL 95 Cb -0.05 -3.01 0.13 0.00 0.00 0.00 0.00 36.38 33.45 2g0k s VAL 95 CO 0.02 -0.37 1.29 -0.83 0.00 0.00 0.00 175.10 175.22 2g0k s GLY 96 N -3.72 -0.37 -0.10 4.51 0.00 -0.33 -3.34 107.32 103.96 2g0k s GLY 96 Ca 0.32 1.08 0.01 0.00 0.00 0.00 0.00 44.72 46.12 2g0k s GLY 96 CO 0.21 0.28 -0.11 0.48 0.00 0.00 0.00 173.10 173.97 2g0k s LEU 97 N -2.68 1.47 -0.01 0.66 2.34 1.55 0.48 118.68 122.49 2g0k s LEU 97 Ca 0.13 -0.34 0.01 0.00 0.06 0.00 0.00 54.13 53.98 2g0k s LEU 97 Cb 0.03 -0.92 -0.04 0.00 -0.56 0.00 0.00 46.19 44.71 2g0k s LEU 97 CO -0.04 -0.05 0.00 -0.44 -1.06 0.00 0.00 176.35 174.77 2g0k s SER 98 N 1.26 5.15 0.00 1.48 0.01 3.55 -1.73 113.70 123.41 2g0k s SER 98 Ca -0.03 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2g0k s SER 98 Cb -0.14 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2g0k s SER 98 CO -0.04 0.29 0.00 -0.90 0.41 0.00 0.00 173.24 173.00 2g0k n ASP 99 N 1.47 0.26 -0.04 2.44 5.75 -0.95 0.25 116.55 125.73 2g0k n ASP 99 Ca -0.15 -0.07 -0.13 0.00 -0.01 0.00 0.00 54.79 54.43 2g0k n ASP 99 Cb 0.53 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N -0.65 0.15 0.00 2.12 0.00 -1.92 -2.87 119.26 116.09 2g0k h ALA 100 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 2g0k h ALA 101 N 0.63 1.19 -0.75 0.00 0.00 -1.96 -3.46 119.26 114.91 2g0k h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2g0k h ALA 101 CO 0.02 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2g0k n GLY 102 N -0.41 0.64 3.31 0.00 0.00 -1.08 -5.12 105.19 102.53 2g0k n GLY 102 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 2g0k n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s ASN 103 N -1.89 1.17 0.04 1.61 6.03 -1.26 -4.83 114.94 115.81 2g0k s ASN 103 Ca 0.00 -1.38 -0.27 0.00 -1.03 0.00 0.00 52.86 50.18 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 -0.73 1.22 -0.83 -2.03 0.00 0.00 177.10 174.73 2g0k s GLY 104 N -3.30 -0.07 0.83 0.45 0.00 -1.26 -2.25 107.32 101.72 2g0k s GLY 104 Ca 0.37 -0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 2g0k s GLY 104 CO 0.13 4.65 1.09 2.56 0.00 0.00 0.00 173.10 181.53 2g0k s PRO 105 N -2.07 1.80 -0.14 2.90 0.04 -1.26 -4.39 135.00 131.89 2g0k s PRO 105 Ca 0.27 0.78 -0.37 0.00 0.04 0.00 0.00 61.00 61.72 2g0k s PRO 105 Cb -0.01 -1.87 -0.18 0.00 0.04 0.00 0.00 34.50 32.48 2g0k s PRO 105 CO 0.01 -1.85 1.09 -0.85 0.04 0.00 0.00 177.00 175.43 2g0k n GLU 106 N -3.61 0.00 -1.15 4.56 -0.00 -0.91 -4.50 120.64 115.03 2g0k n GLU 106 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.86 2g0k n GLU 106 Cb 0.55 -1.32 0.04 0.00 -0.00 0.00 0.00 31.44 30.71 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g0k n GLY 107 N 2.00 -3.31 3.02 -1.84 0.00 -1.26 -4.82 105.19 98.98 2g0k n GLY 107 Ca 0.21 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 2.14 -0.14 1.61 1.01 -1.21 -5.07 120.40 116.74 2g0k s VAL 108 Ca 0.53 -2.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 2g0k s VAL 108 Cb -0.34 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2g0k s VAL 108 CO 0.70 -0.39 0.63 0.00 0.00 0.00 0.00 175.10 176.04 2g0k s ALA 109 N 1.02 3.47 0.23 5.51 0.00 -1.26 -2.47 121.76 128.27 2g0k s ALA 109 Ca 0.04 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2g0k s ALA 109 Cb -0.19 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2g0k s ALA 109 CO -0.08 -0.33 0.26 0.42 0.00 0.00 0.00 175.76 176.03 2g0k s ILE 110 N 1.37 4.82 -0.12 0.00 1.01 0.10 -4.97 121.20 123.41 2g0k s ILE 110 Ca 0.31 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 2g0k s ILE 110 Cb -0.16 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.78 2g0k s ILE 110 CO 0.13 -0.30 0.26 -0.55 0.00 0.00 0.00 174.94 174.48 2g0k s SER 111 N -3.77 0.14 -0.20 3.58 0.15 -0.59 -3.99 113.70 109.02 2g0k s SER 111 Ca 0.33 0.59 -0.15 0.00 0.70 0.00 0.00 55.95 57.42 2g0k s SER 111 Cb -0.09 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2g0k s SER 111 CO 0.27 -0.22 0.35 -0.36 1.20 0.00 0.00 173.24 174.48 2g0k s PHE 112 N 2.05 3.37 0.00 3.44 0.40 -1.26 -2.89 117.98 123.10 2g0k s PHE 112 Ca -0.02 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 2g0k s PHE 112 Cb -0.11 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.94 2g0k s PHE 112 CO -0.09 0.02 0.00 0.09 0.70 0.00 0.00 175.22 175.94