#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 0.01 1.14 0.00 0.00 -1.26 -4.74 121.76 116.91 2g0k s ALA 2 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 2g0k s ALA 2 Cb 0.00 -0.53 0.22 0.00 0.00 0.00 0.00 23.12 22.81 2g0k s ALA 2 CO 0.00 -0.34 0.89 -0.35 0.00 0.00 0.00 175.76 175.96 2g0k n PRO 3 N 4.80 -2.23 -3.37 0.00 -0.04 -1.26 -4.27 135.00 128.63 2g0k n PRO 3 Ca -0.15 -1.41 -0.43 0.00 -0.04 0.00 0.00 63.50 61.48 2g0k n PRO 3 Cb 0.50 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.71 5.15 -0.02 0.52 -1.32 -0.64 -1.85 115.64 114.78 2g0k s THR 4 Ca 0.55 -0.57 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 2g0k s THR 4 Cb -0.04 -4.03 -0.01 0.00 -1.51 0.00 0.00 72.50 66.90 2g0k s THR 4 CO 0.42 -0.43 -0.19 0.00 -2.21 0.00 0.00 174.62 172.20 2g0k s ALA 5 N 1.94 1.59 -0.28 11.08 0.00 -1.23 0.61 121.76 135.47 2g0k s ALA 5 Ca 0.09 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.14 2g0k s ALA 5 Cb -0.19 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2g0k s ALA 5 CO 0.11 0.38 0.12 0.95 0.00 0.00 0.00 175.76 177.33 2g0k s THR 6 N -0.42 4.55 0.19 0.00 -4.23 1.15 -4.79 115.64 112.10 2g0k s THR 6 Ca 0.07 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.39 2g0k s THR 6 Cb -0.08 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 2g0k s THR 6 CO -0.01 0.19 -0.05 0.68 -0.54 0.00 0.00 174.62 174.89 2g0k s VAL 7 N 1.63 3.38 1.22 2.29 -7.23 -1.23 -0.03 120.40 120.42 2g0k s VAL 7 Ca 0.05 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.41 2g0k s VAL 7 Cb -0.16 -2.70 0.29 0.00 0.56 0.00 0.00 36.38 34.37 2g0k s VAL 7 CO 0.06 -0.15 1.07 0.28 -0.31 0.00 0.00 175.10 176.05 2g0k s THR 8 N -1.80 1.60 -0.19 5.32 -1.32 0.07 -4.85 115.64 114.47 2g0k s THR 8 Ca 0.27 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g0k s THR 8 Cb -0.09 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 2g0k s THR 8 CO 0.17 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.85 2g0k s PRO 9 N -5.25 4.05 -0.47 7.08 0.04 -1.26 -4.71 135.00 134.48 2g0k s PRO 9 Ca 0.70 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.45 2g0k s PRO 9 Cb -0.12 -3.90 0.44 0.00 0.04 0.00 0.00 34.50 30.96 2g0k s PRO 9 CO 0.57 -0.96 1.46 -1.13 0.04 0.00 0.00 177.00 176.97 2g0k n SER 10 N 7.38 5.79 -3.97 6.66 3.41 -1.26 -4.89 113.62 126.74 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 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.90 4.23 0.00 4.04 1.04 -1.23 -1.67 113.70 117.21 2g0k s SER 11 Ca 0.53 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2g0k s SER 11 Cb 0.43 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2g0k s SER 11 CO -0.08 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2g0k n GLY 12 N 4.53 1.23 3.75 7.32 0.00 -1.16 -4.82 105.19 116.05 2g0k n GLY 12 Ca -0.08 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 4.15 0.33 0.99 1.43 -1.26 -4.80 118.68 119.52 2g0k s LEU 13 Ca 0.00 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2g0k s LEU 13 Cb 0.00 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2g0k s LEU 13 CO 0.00 0.26 0.34 -0.44 0.23 0.00 0.00 176.35 176.73 2g0k s SER 14 N -0.12 5.47 0.23 2.29 0.01 -1.26 -4.78 113.70 115.53 2g0k s SER 14 Ca 0.09 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 2g0k s SER 14 Cb -0.12 -1.05 -0.16 0.00 0.21 0.00 0.00 66.02 64.91 2g0k s SER 14 CO 0.00 -0.37 0.79 -0.67 0.41 0.00 0.00 173.24 173.41 2g0k n ASP 15 N -1.44 0.05 0.00 2.44 -0.08 -1.26 -1.63 116.55 114.63 2g0k n ASP 15 Ca -0.02 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 2g0k n ASP 15 Cb 0.59 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.94 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 1.67 3.04 3.76 0.27 0.00 -1.25 -5.03 105.19 107.66 2g0k n GLY 16 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.74 3.71 -0.14 2.61 2.01 -0.65 -4.99 115.64 115.46 2g0k s THR 17 Ca 0.00 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 2g0k s THR 17 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2g0k s THR 17 CO 0.00 0.28 -0.11 0.54 -0.69 0.00 0.00 174.62 174.64 2g0k s VAL 18 N -1.33 3.18 0.39 3.82 0.11 -1.26 -2.80 120.40 122.51 2g0k s VAL 18 Ca 0.48 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2g0k s VAL 18 Cb -0.27 -2.36 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 2g0k s VAL 18 CO 0.35 0.51 0.57 -0.69 -3.33 0.00 0.00 175.10 172.51 2g0k s VAL 19 N 0.47 4.13 0.02 2.04 1.01 0.71 -4.94 120.40 123.85 2g0k s VAL 19 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2g0k s VAL 19 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2g0k s VAL 19 CO 0.04 -0.27 -0.12 -0.75 0.00 0.00 0.00 175.10 174.00 2g0k s LYS 20 N -4.37 2.33 -0.13 2.72 2.36 -1.26 -1.90 119.74 119.50 2g0k s LYS 20 Ca 0.46 -0.84 -0.04 0.00 -2.55 0.00 0.00 55.97 53.00 2g0k s LYS 20 Cb -0.10 -2.36 0.05 0.00 -1.05 0.00 0.00 37.83 34.37 2g0k s LYS 20 CO 0.35 0.57 0.08 0.54 1.55 0.00 0.00 175.35 178.43 2g0k s VAL 21 N -0.98 -0.05 -0.19 4.02 0.11 -1.08 -0.75 120.40 121.49 2g0k s VAL 21 Ca 0.16 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2g0k s VAL 21 Cb -0.11 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2g0k s VAL 21 CO 0.07 -0.13 -0.09 0.00 -3.33 0.00 0.00 175.10 171.62 2g0k s ALA 22 N 2.13 1.88 0.10 1.54 0.00 0.95 -2.56 121.76 125.81 2g0k s ALA 22 Ca 0.03 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 2g0k s ALA 22 Cb -0.15 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 2g0k s ALA 22 CO -0.07 -0.82 0.59 0.20 0.00 0.00 0.00 175.76 175.66 2g0k s GLY 23 N 1.45 2.66 -0.09 0.00 0.00 -1.11 0.37 107.32 110.60 2g0k s GLY 23 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 2g0k s GLY 23 CO -0.08 0.46 0.08 0.00 0.00 0.00 0.00 173.10 173.56 2g0k s ALA 24 N -1.19 0.25 0.00 3.20 0.00 2.60 -3.61 121.76 123.02 2g0k s ALA 24 Ca 0.32 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2g0k s ALA 24 Cb -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2g0k s ALA 24 CO 0.20 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2g0k n GLY 25 N 5.30 0.97 3.96 0.00 0.00 -1.23 -1.62 105.19 112.57 2g0k n GLY 25 Ca -0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2g0k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 26 N 0.00 2.94 -0.01 0.99 1.02 -1.22 -4.75 118.68 117.66 2g0k s LEU 26 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.91 2g0k s LEU 26 Cb 0.00 -2.56 -0.07 0.00 0.02 0.00 0.00 46.19 43.57 2g0k s LEU 26 CO 0.00 -1.76 1.76 -1.10 0.02 0.00 0.00 176.35 175.27 2g0k s GLN 27 N -5.21 4.17 0.28 1.70 -0.21 -1.26 -4.75 119.66 114.37 2g0k s GLN 27 Ca 0.64 2.35 -0.29 0.00 0.02 0.00 0.00 55.36 58.08 2g0k s GLN 27 Cb -0.08 -3.99 -0.10 0.00 1.00 0.00 0.00 33.01 29.84 2g0k s GLN 27 CO 0.45 -0.87 1.38 0.00 -2.12 0.00 0.00 175.29 174.13 2g0k s ALA 28 N 3.98 3.57 0.00 6.09 0.00 -1.26 -1.63 121.76 132.50 2g0k s ALA 28 Ca 0.79 1.29 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2g0k s ALA 28 Cb -0.37 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2g0k s ALA 28 CO 0.34 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2g0k n GLY 29 N 1.64 0.30 3.83 0.00 0.00 -0.79 -4.98 105.19 105.19 2g0k n GLY 29 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.69 4.63 -0.07 2.61 -1.32 -0.65 -4.85 115.64 114.31 2g0k s THR 30 Ca 0.00 1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 61.48 2g0k s THR 30 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.18 2g0k s THR 30 CO 0.00 0.07 0.30 0.00 -2.21 0.00 0.00 174.62 172.78 2g0k s ALA 31 N -1.69 3.74 0.04 11.08 0.00 -1.26 -2.04 121.76 131.63 2g0k s ALA 31 Ca 0.47 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.07 2g0k s ALA 31 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2g0k s ALA 31 CO 0.20 0.46 -0.13 0.71 0.00 0.00 0.00 175.76 176.99 2g0k s TYR 32 N -0.78 1.10 -0.23 0.00 2.02 -1.13 -3.68 117.35 114.65 2g0k s TYR 32 Ca 0.20 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2g0k s TYR 32 Cb -0.14 -0.65 0.03 0.00 -0.40 0.00 0.00 41.96 40.79 2g0k s TYR 32 CO 0.09 0.02 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.47 2g0k s ASP 33 N -1.25 3.95 0.16 2.29 1.11 1.91 -3.45 116.67 121.38 2g0k s ASP 33 Ca -0.01 -0.83 0.00 0.00 0.18 0.00 0.00 52.55 51.90 2g0k s ASP 33 Cb -0.08 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.27 2g0k s ASP 33 CO 0.01 -0.08 0.32 -0.69 1.18 0.00 0.00 175.17 175.91 2g0k s VAL 34 N 1.30 5.28 0.00 -1.27 1.01 -0.06 1.44 120.40 128.10 2g0k s VAL 34 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2g0k s VAL 34 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2g0k s VAL 34 CO -0.07 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2g0k n GLY 35 N -0.42 0.53 3.52 4.51 0.00 6.75 -1.88 105.19 118.20 2g0k n GLY 35 Ca -0.05 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2g0k n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2g0k s GLN 36 N -2.00 3.81 0.33 1.61 0.74 -1.25 -0.50 119.66 122.39 2g0k s GLN 36 Ca 0.00 -0.40 0.08 0.00 0.05 0.00 0.00 55.36 55.09 2g0k s GLN 36 Cb 0.00 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 2g0k s GLN 36 CO 0.00 -0.17 0.22 0.00 -0.55 0.00 0.00 175.29 174.79 2g0k s ALA 38 N -2.33 -1.09 0.12 0.00 0.00 0.25 -2.19 121.76 116.51 2g0k s ALA 38 Ca 0.39 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 2g0k s ALA 38 Cb -0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 2g0k s ALA 38 CO 0.25 -0.26 1.52 -0.46 0.00 0.00 0.00 175.76 176.80 2g0k s TRP 39 N 1.29 2.99 -0.04 0.00 -0.00 -1.25 -1.37 118.94 120.56 2g0k s TRP 39 Ca -0.09 0.68 0.01 0.00 -0.00 0.00 0.00 56.10 56.70 2g0k s TRP 39 Cb -0.08 -3.84 -0.03 0.00 -0.00 0.00 0.00 33.47 29.53 2g0k s TRP 39 CO -0.12 -3.12 -0.03 1.33 -0.00 0.00 0.00 176.95 175.02 2g0k n VAL 40 N 4.15 0.22 -4.12 5.86 0.24 -0.69 -4.86 118.33 119.13 2g0k n VAL 40 Ca 0.13 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.34 62.19 2g0k n VAL 40 Cb 0.40 -0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 32.04 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 -4.18 1.07 -0.25 -1.34 1.11 -0.57 -5.01 116.67 107.49 2g0k s ASP 41 Ca -0.04 -1.54 -0.28 0.00 0.18 0.00 0.00 52.55 50.86 2g0k s ASP 41 Cb 0.01 0.65 -0.04 0.00 1.07 0.00 0.00 42.92 44.62 2g0k s ASP 41 CO 0.09 -1.27 1.97 0.28 1.18 0.00 0.00 175.17 177.42 2g0k s THR 42 N -3.09 3.28 0.00 -1.27 -1.32 -1.26 -1.24 115.64 110.74 2g0k s THR 42 Ca 0.32 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2g0k s THR 42 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 2g0k s THR 42 CO 0.22 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2g0k n GLY 43 N 5.45 0.32 3.18 6.08 0.00 -1.26 -4.96 105.19 114.00 2g0k n GLY 43 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.72 3.47 0.16 1.61 1.01 -0.37 -5.09 120.40 119.47 2g0k s VAL 44 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 61.98 60.40 2g0k s VAL 44 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2g0k s VAL 44 CO 0.00 -0.44 0.17 -0.76 0.00 0.00 0.00 175.10 174.07 2g0k s LEU 45 N 1.26 3.93 -0.07 3.92 1.43 -1.26 -1.52 118.68 126.38 2g0k s LEU 45 Ca 0.02 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2g0k s LEU 45 Cb -0.22 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.49 2g0k s LEU 45 CO -0.01 0.07 -0.11 0.00 0.23 0.00 0.00 176.35 176.52 2g0k s ALA 46 N -1.74 1.23 0.21 4.21 0.00 -0.47 -3.18 121.76 122.02 2g0k s ALA 46 Ca 0.32 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2g0k s ALA 46 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2g0k s ALA 46 CO 0.25 0.06 0.11 0.00 0.00 0.00 0.00 175.76 176.17 2g0k s ASN 48 N -3.42 4.33 0.00 0.00 2.47 -1.05 0.15 114.94 117.42 2g0k s ASN 48 Ca 0.31 -0.94 0.20 0.00 0.42 0.00 0.00 52.86 52.85 2g0k s ASN 48 Cb -0.09 -1.65 1.14 0.00 -1.45 0.00 0.00 41.25 39.20 2g0k s ASN 48 CO 0.23 -0.14 1.58 -0.81 -3.72 0.00 0.00 177.10 174.23 2g0k n PRO 49 N 4.65 0.54 0.01 0.43 -0.04 -1.26 -1.98 135.00 137.35 2g0k n PRO 49 Ca -0.16 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2g0k n PRO 49 Cb 0.46 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 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 3.54 -2.01 0.55 0.00 -1.26 -4.01 120.51 116.25 2g0k n ALA 50 Ca 0.14 -0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.25 2g0k n ALA 50 Cb 0.09 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.66 1.02 -4.55 0.00 5.68 -0.84 -5.03 116.55 111.17 2g0k n ASP 51 Ca 0.05 -2.48 -0.40 0.00 -0.50 0.00 0.00 54.79 51.45 2g0k n ASP 51 Cb 0.36 -0.33 -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 -0.95 3.22 0.56 2.11 -0.12 -1.13 -3.94 117.98 117.72 2g0k s PHE 52 Ca 0.25 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.20 2g0k s PHE 52 Cb 0.26 -2.60 0.07 0.00 -0.63 0.00 0.00 43.02 40.12 2g0k s PHE 52 CO -0.08 -0.37 0.65 0.45 -0.05 0.00 0.00 175.22 175.82 2g0k s SER 53 N 1.72 4.93 0.02 1.98 0.15 -0.79 -4.96 113.70 116.77 2g0k s SER 53 Ca 0.10 -0.99 -0.09 0.00 0.70 0.00 0.00 55.95 55.67 2g0k s SER 53 Cb -0.17 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2g0k s SER 53 CO 0.11 -1.26 0.19 -0.94 1.20 0.00 0.00 173.24 172.54 2g0k s SER 54 N -4.53 0.01 -0.04 5.45 1.04 -1.26 -2.52 113.70 111.86 2g0k s SER 54 Ca 0.52 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 2g0k s SER 54 Cb -0.04 0.27 0.10 0.00 0.10 0.00 0.00 66.02 66.45 2g0k s SER 54 CO 0.33 -0.50 0.89 0.54 0.98 0.00 0.00 173.24 175.48 2g0k s VAL 55 N -2.15 0.00 -0.09 5.02 0.11 -1.22 -4.98 120.40 117.08 2g0k s VAL 55 Ca -0.08 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 2g0k s VAL 55 Cb -0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2g0k s VAL 55 CO -0.02 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -2.61 1.49 0.11 5.04 2.01 -1.26 -2.85 115.64 117.57 2g0k s THR 56 Ca 0.03 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 2g0k s THR 56 Cb -0.01 -1.35 -0.11 0.00 0.01 0.00 0.00 72.50 71.05 2g0k s THR 56 CO -0.06 0.44 1.85 0.00 -0.69 0.00 0.00 174.62 176.16 2g0k n ALA 57 N 3.98 2.10 -1.00 7.40 0.00 -0.86 -4.74 120.51 127.38 2g0k n ALA 57 Ca -0.20 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 2g0k n ALA 57 Cb 0.52 -2.60 0.01 0.00 0.00 0.00 0.00 19.45 17.38 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 5.81 -1.04 0.26 0.00 5.68 -0.34 -1.89 116.55 125.04 2g0k n ASP 58 Ca 0.18 -0.52 0.13 0.00 -0.50 0.00 0.00 54.79 54.09 2g0k n ASP 58 Cb 0.37 -0.03 0.71 0.00 -1.14 0.00 0.00 41.12 41.04 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 1.18 -0.01 2.12 0.00 -1.93 -0.60 119.26 117.99 2g0k h ALA 59 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 59 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2g0k h ALA 59 CO 0.01 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.49 2g0k n ASN 60 N -3.49 0.20 -1.98 0.00 4.13 -1.26 -4.87 115.26 107.99 2g0k n ASN 60 Ca -0.01 -1.26 -0.16 0.00 1.68 0.00 0.00 54.58 54.83 2g0k n ASN 60 Cb 0.27 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.51 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 0.93 -0.23 3.19 7.41 0.00 -0.23 -4.82 105.19 111.43 2g0k n GLY 61 Ca 0.19 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.54 2.01 -0.08 1.61 0.15 -1.26 -3.45 113.70 110.14 2g0k s SER 62 Ca 0.10 -0.47 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 2g0k s SER 62 Cb -0.05 -0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2g0k s SER 62 CO 0.13 0.10 0.17 0.00 1.20 0.00 0.00 173.24 174.83 2g0k s ALA 63 N -0.80 -0.25 -0.13 5.45 0.00 -1.24 -1.19 121.76 123.60 2g0k s ALA 63 Ca 0.04 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 2g0k s ALA 63 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2g0k s ALA 63 CO 0.01 -0.38 -0.03 -1.54 0.00 0.00 0.00 175.76 173.82 2g0k s SER 64 N 1.79 4.88 0.05 0.00 1.04 -1.26 -2.76 113.70 117.43 2g0k s SER 64 Ca -0.03 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 2g0k s SER 64 Cb -0.12 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.40 2g0k s SER 64 CO -0.06 0.24 0.27 -0.89 0.98 0.00 0.00 173.24 173.78 2g0k s THR 65 N -0.09 0.10 -0.22 2.02 2.01 -1.06 -4.96 115.64 113.44 2g0k s THR 65 Ca 0.02 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 65 Cb -0.13 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2g0k s THR 65 CO 0.02 -0.43 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.05 2g0k s SER 66 N -2.19 4.40 0.24 3.53 0.01 -1.26 -2.62 113.70 115.80 2g0k s SER 66 Ca -0.04 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 56.93 2g0k s SER 66 Cb -0.00 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 2g0k s SER 66 CO -0.05 -0.01 0.22 -0.22 0.41 0.00 0.00 173.24 173.59 2g0k s LEU 67 N 1.45 3.90 -0.06 2.44 0.20 -0.80 -4.85 118.68 120.97 2g0k s LEU 67 Ca 0.05 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.73 2g0k s LEU 67 Cb -0.14 -2.45 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 2g0k s LEU 67 CO -0.02 -0.03 -0.18 0.28 -0.29 0.00 0.00 176.35 176.11 2g0k s THR 68 N -2.06 1.54 -0.18 3.68 -1.32 -1.26 -0.21 115.64 115.83 2g0k s THR 68 Ca 0.33 -0.75 -0.08 0.00 -1.21 0.00 0.00 61.69 59.98 2g0k s THR 68 Cb -0.08 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 2g0k s THR 68 CO 0.25 0.44 0.07 0.54 -2.21 0.00 0.00 174.62 173.72 2g0k s VAL 69 N 0.22 4.87 0.39 5.08 0.11 -1.12 -4.81 120.40 125.14 2g0k s VAL 69 Ca -0.09 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2g0k s VAL 69 Cb -0.14 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2g0k s VAL 69 CO 0.04 0.46 0.23 -0.13 -3.33 0.00 0.00 175.10 172.38 2g0k s ARG 70 N 0.32 2.38 0.00 1.54 3.00 -1.26 -3.76 118.95 121.17 2g0k s ARG 70 Ca 0.04 -1.64 0.23 0.00 0.00 0.00 0.00 55.73 54.35 2g0k s ARG 70 Cb -0.12 -2.18 0.10 0.00 0.00 0.00 0.00 34.95 32.75 2g0k s ARG 70 CO -0.00 -0.07 1.14 2.89 0.00 0.00 0.00 175.30 179.26 2g0k n ARG 71 N -1.31 0.35 -3.63 3.54 1.85 -1.26 -4.45 116.66 111.75 2g0k n ARG 71 Ca -0.00 -0.26 -0.04 0.00 -1.00 0.00 0.00 57.85 56.54 2g0k n ARG 71 Cb 0.63 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.49 2g0k n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2g0k s SER 72 N -2.83 -0.12 -0.10 2.89 0.15 -1.25 0.12 113.70 112.55 2g0k s SER 72 Ca 0.13 0.17 -0.33 0.00 0.70 0.00 0.00 55.95 56.62 2g0k s SER 72 Cb 0.17 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.77 2g0k s SER 72 CO 0.73 -0.08 1.31 0.72 1.20 0.00 0.00 173.24 177.12 2g0k s PHE 73 N -0.61 -0.05 0.14 3.44 -0.12 -0.62 -4.94 117.98 115.23 2g0k s PHE 73 Ca 0.06 -0.01 -0.31 0.00 -0.05 0.00 0.00 56.93 56.62 2g0k s PHE 73 Cb -0.02 0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2g0k s PHE 73 CO -0.09 -0.18 1.71 -1.83 -0.05 0.00 0.00 175.22 174.78 2g0k s GLU 74 N -2.30 4.16 -0.89 1.99 1.03 -1.26 -0.10 118.70 121.32 2g0k s GLU 74 Ca 0.13 2.49 -0.23 0.00 0.03 0.00 0.00 54.97 57.39 2g0k s GLU 74 Cb 0.04 -3.38 0.07 0.00 -0.80 0.00 0.00 34.13 30.05 2g0k s GLU 74 CO -0.04 -0.75 1.28 0.20 -1.33 0.00 0.00 175.26 174.62 2g0k s GLY 75 N 1.97 1.34 -0.68 -3.83 0.00 0.13 -4.12 107.32 102.12 2g0k s GLY 75 Ca 0.76 -2.13 -0.25 0.00 0.00 0.00 0.00 44.72 43.10 2g0k s GLY 75 CO 0.33 2.45 1.09 -1.36 0.00 0.00 0.00 173.10 175.62 2g0k s PHE 76 N 4.52 2.53 0.19 1.90 0.08 0.40 -0.96 117.98 126.63 2g0k s PHE 76 Ca 0.38 -0.29 -0.33 0.00 0.12 0.00 0.00 56.93 56.81 2g0k s PHE 76 Cb -0.05 -4.42 -0.13 0.00 -0.57 0.00 0.00 43.02 37.86 2g0k s PHE 76 CO -0.02 -1.79 1.62 -0.11 -0.10 0.00 0.00 175.22 174.81 2g0k n LEU 77 N 8.36 3.50 -0.34 -0.37 7.94 0.13 0.21 117.00 136.42 2g0k n LEU 77 Ca -0.00 1.08 0.26 0.00 -1.11 0.00 0.00 56.01 56.24 2g0k n LEU 77 Cb 0.47 -1.49 0.55 0.00 0.53 0.00 0.00 43.42 43.48 2g0k n LEU 77 CO 0.67 -0.11 1.23 -0.26 -1.11 0.00 0.00 177.39 177.81 2g0k h PHE 78 N 6.03 0.58 0.00 1.96 0.04 -1.86 1.61 116.94 125.29 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2g0k h PHE 78 Cb 1.23 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2g0k h PHE 78 CO 0.62 0.01 0.09 0.22 -0.60 0.00 0.00 178.31 178.65 2g0k h ASP 79 N 0.30 0.00 0.00 2.17 3.58 -1.91 -3.44 116.42 117.13 2g0k h ASP 79 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2g0k h ASP 79 Cb 1.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2g0k h ASP 79 CO -0.29 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 2g0k n GLY 80 N -1.23 1.58 3.52 -0.78 0.00 0.55 -5.10 105.19 103.73 2g0k n GLY 80 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.00 -0.74 2.61 2.01 -1.06 -4.93 115.64 114.54 2g0k s THR 81 Ca 0.00 -1.45 -0.21 0.00 0.31 0.00 0.00 61.69 60.34 2g0k s THR 81 Cb 0.00 -2.39 0.09 0.00 0.01 0.00 0.00 72.50 70.20 2g0k s THR 81 CO 0.00 0.09 1.01 -0.13 -0.69 0.00 0.00 174.62 174.90 2g0k s ARG 82 N -2.19 3.24 0.01 4.92 0.52 -1.26 0.19 118.95 124.38 2g0k s ARG 82 Ca 0.19 -1.09 -0.25 0.00 -0.52 0.00 0.00 55.73 54.06 2g0k s ARG 82 Cb -0.11 -4.44 -0.15 0.00 0.52 0.00 0.00 34.95 30.77 2g0k s ARG 82 CO 0.11 -1.81 1.16 2.35 0.02 0.00 0.00 175.30 177.14 2g0k h TRP 83 N 9.38 -0.58 0.00 -0.53 2.91 -1.39 -3.48 115.95 122.25 2g0k h TRP 83 Ca -0.16 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.84 2g0k h TRP 83 Cb 1.06 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2g0k h TRP 83 CO 1.02 -0.26 0.00 0.41 -1.03 0.00 0.00 178.44 178.58 2g0k n GLY 84 N -0.43 3.05 3.67 2.65 0.00 -1.21 -4.96 105.19 107.97 2g0k n GLY 84 Ca -0.10 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.68 2.54 -4.29 2.61 -1.04 -1.26 0.19 114.28 111.35 2g0k n THR 85 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 2g0k n THR 85 Cb 0.00 -1.43 -0.11 0.00 -1.82 0.00 0.00 70.33 66.96 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 -1.22 1.58 -0.39 12.58 0.11 0.85 -4.75 120.40 129.16 2g0k s VAL 86 Ca 0.62 -1.80 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 2g0k s VAL 86 Cb -0.53 -1.68 0.10 0.00 -1.53 0.00 0.00 36.38 32.75 2g0k s VAL 86 CO 0.57 -0.35 0.17 -1.81 -3.33 0.00 0.00 175.10 170.36 2g0k s ASP 87 N -2.52 5.19 0.58 3.54 1.01 -1.26 -1.58 116.67 121.62 2g0k s ASP 87 Ca 0.12 -1.97 0.28 0.00 0.71 0.00 0.00 52.55 51.70 2g0k s ASP 87 Cb -0.06 -1.80 1.52 0.00 1.01 0.00 0.00 42.92 43.59 2g0k s ASP 87 CO 0.05 -0.50 1.96 0.00 0.21 0.00 0.00 175.17 176.89 2g0k n THR 89 N -3.82 0.01 -0.01 0.00 -2.24 -1.21 -3.53 114.28 103.49 2g0k n THR 89 Ca 0.07 -0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 2g0k n THR 89 Cb 0.57 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.53 0.12 -4.59 4.28 -1.04 0.50 -5.07 114.28 107.95 2g0k n THR 90 Ca 0.21 -0.09 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 2g0k n THR 90 Cb 0.20 -0.64 -0.09 0.00 -1.82 0.00 0.00 70.33 67.98 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 -2.08 3.23 -0.24 2.41 0.00 0.43 -5.03 121.76 120.48 2g0k s ALA 91 Ca -0.01 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2g0k s ALA 91 Cb 0.01 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2g0k s ALA 91 CO 0.10 -0.20 0.30 0.00 0.00 0.00 0.00 175.76 175.95 2g0k s ALA 92 N -3.06 3.57 0.12 0.00 0.00 -1.26 -4.60 121.76 116.53 2g0k s ALA 92 Ca 0.22 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2g0k s ALA 92 Cb 0.04 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2g0k s ALA 92 CO 0.11 -0.41 0.14 0.00 0.00 0.00 0.00 175.76 175.61 2g0k s GLN 94 N -2.79 0.26 0.09 0.00 -2.07 -0.93 0.89 119.66 115.11 2g0k s GLN 94 Ca 0.31 -0.03 0.02 0.00 -1.82 0.00 0.00 55.36 53.84 2g0k s GLN 94 Cb -0.11 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 2g0k s GLN 94 CO 0.24 -0.05 0.19 0.08 -1.32 0.00 0.00 175.29 174.43 2g0k s VAL 95 N -0.43 5.07 -0.07 3.63 1.01 -0.95 -0.76 120.40 127.89 2g0k s VAL 95 Ca -0.05 -0.62 -0.32 0.00 0.00 0.00 0.00 61.98 60.99 2g0k s VAL 95 Cb -0.03 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.97 2g0k s VAL 95 CO 0.00 0.06 1.39 -0.83 0.00 0.00 0.00 175.10 175.73 2g0k s GLY 96 N -2.70 -0.44 0.05 4.51 0.00 0.35 -3.60 107.32 105.49 2g0k s GLY 96 Ca 0.33 0.77 0.06 0.00 0.00 0.00 0.00 44.72 45.88 2g0k s GLY 96 CO 0.26 1.19 -0.16 0.48 0.00 0.00 0.00 173.10 174.86 2g0k s LEU 97 N -3.14 2.19 0.16 0.66 2.34 1.15 1.00 118.68 123.04 2g0k s LEU 97 Ca 0.17 -0.50 0.09 0.00 0.06 0.00 0.00 54.13 53.96 2g0k s LEU 97 Cb 0.06 -0.72 -0.04 0.00 -0.56 0.00 0.00 46.19 44.93 2g0k s LEU 97 CO -0.05 0.06 -0.21 -0.44 -1.06 0.00 0.00 176.35 174.65 2g0k s SER 98 N -1.24 2.92 0.00 1.48 0.01 14.54 -2.72 113.70 128.69 2g0k s SER 98 Ca 0.03 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2g0k s SER 98 Cb -0.08 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2g0k s SER 98 CO 0.02 0.05 0.00 -0.90 0.41 0.00 0.00 173.24 172.82 2g0k n ASP 99 N 0.52 1.36 0.01 2.44 5.75 -0.97 0.51 116.55 126.17 2g0k n ASP 99 Ca -0.15 -0.40 -0.11 0.00 -0.01 0.00 0.00 54.79 54.12 2g0k n ASP 99 Cb 0.56 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.55 0.09 0.00 2.12 0.00 -1.92 -2.08 119.26 118.02 2g0k h ALA 100 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 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 -0.41 -0.33 0.00 0.00 0.00 0.00 179.25 178.51 2g0k h ALA 101 N 1.01 1.04 -0.19 0.00 0.00 -1.96 -3.47 119.26 115.70 2g0k h ALA 101 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2g0k h ALA 101 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 101 CO -0.01 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2g0k n GLY 102 N 0.13 0.67 3.59 0.00 0.00 -0.78 -5.12 105.19 103.66 2g0k n GLY 102 Ca -0.00 -0.06 -0.26 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 -1.53 3.86 0.05 1.61 4.22 -1.26 -4.74 114.94 117.15 2g0k s ASN 103 Ca 0.00 -1.23 -0.17 0.00 -2.14 0.00 0.00 52.86 49.33 2g0k s ASN 103 Cb 0.00 -0.39 0.06 0.00 1.28 0.00 0.00 41.25 42.19 2g0k s ASN 103 CO 0.00 -0.30 0.77 0.61 -2.04 0.00 0.00 177.10 176.13 2g0k n GLY 104 N -0.89 0.59 3.78 0.45 0.00 -1.25 -2.29 105.19 105.57 2g0k n GLY 104 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2g0k n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g0k s PRO 105 N -2.02 2.15 -0.12 1.61 0.04 -1.26 -4.30 135.00 131.10 2g0k s PRO 105 Ca 0.18 0.89 -0.39 0.00 0.04 0.00 0.00 61.00 61.71 2g0k s PRO 105 Cb -0.01 -1.91 -0.19 0.00 0.04 0.00 0.00 34.50 32.43 2g0k s PRO 105 CO 0.02 -1.64 1.14 -0.85 0.04 0.00 0.00 177.00 175.70 2g0k n GLU 106 N -3.48 0.00 -1.41 4.56 0.28 -0.77 -4.57 120.64 115.24 2g0k n GLU 106 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.65 2g0k n GLU 106 Cb 0.54 -1.41 -0.00 0.00 1.43 0.00 0.00 31.44 32.00 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 2.01 -1.79 3.05 -1.84 0.00 -1.26 -4.86 105.19 100.51 2g0k n GLY 107 Ca 0.21 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.41 2.06 0.10 1.61 1.01 -1.24 -5.09 120.40 117.44 2g0k s VAL 108 Ca 0.62 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 2g0k s VAL 108 Cb -0.68 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 2g0k s VAL 108 CO 0.59 0.01 0.52 0.00 0.00 0.00 0.00 175.10 176.22 2g0k s ALA 109 N 1.16 3.61 0.39 5.51 0.00 -1.26 -2.25 121.76 128.93 2g0k s ALA 109 Ca -0.07 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.84 2g0k s ALA 109 Cb -0.19 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2g0k s ALA 109 CO -0.06 0.45 0.31 0.42 0.00 0.00 0.00 175.76 176.89 2g0k s ILE 110 N -1.30 2.81 -0.18 0.00 1.01 0.26 -4.92 121.20 118.88 2g0k s ILE 110 Ca 0.33 -1.43 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 2g0k s ILE 110 Cb -0.16 -3.03 0.08 0.00 0.01 0.00 0.00 42.46 39.36 2g0k s ILE 110 CO 0.18 -0.05 0.38 -0.55 0.00 0.00 0.00 174.94 174.90 2g0k s SER 111 N -4.05 -0.11 -0.26 3.58 0.15 -0.67 -4.37 113.70 107.98 2g0k s SER 111 Ca 0.45 0.88 -0.13 0.00 0.70 0.00 0.00 55.95 57.85 2g0k s SER 111 Cb -0.03 1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 2g0k s SER 111 CO 0.26 -0.23 0.26 -0.36 1.20 0.00 0.00 173.24 174.38 2g0k s PHE 112 N 2.51 3.27 0.00 3.44 0.40 -1.26 -2.96 117.98 123.37 2g0k s PHE 112 Ca -0.01 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 2g0k s PHE 112 Cb -0.12 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 40.98 2g0k s PHE 112 CO -0.12 -0.11 0.00 0.09 0.70 0.00 0.00 175.22 175.79