#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 3.31 1.15 0.00 0.00 -1.26 -4.81 121.76 120.14 2g0k s ALA 2 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2g0k s ALA 2 Cb 0.00 -3.84 0.23 0.00 0.00 0.00 0.00 23.12 19.51 2g0k s ALA 2 CO 0.00 -1.89 0.92 -0.35 0.00 0.00 0.00 175.76 174.44 2g0k n PRO 3 N 7.61 -2.29 -3.57 0.00 -0.04 -1.26 -4.82 135.00 130.63 2g0k n PRO 3 Ca 0.19 -1.46 -0.40 0.00 -0.04 0.00 0.00 63.50 61.79 2g0k n PRO 3 Cb 0.45 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.77 5.00 -0.06 0.52 -1.32 0.86 -4.46 115.64 113.41 2g0k s THR 4 Ca 0.58 -0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 2g0k s THR 4 Cb -0.05 -3.60 0.01 0.00 -1.51 0.00 0.00 72.50 67.35 2g0k s THR 4 CO 0.43 -0.04 -0.14 0.00 -2.21 0.00 0.00 174.62 172.66 2g0k s ALA 5 N 1.67 1.39 -0.39 11.08 0.00 -1.21 0.89 121.76 135.19 2g0k s ALA 5 Ca 0.05 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 2g0k s ALA 5 Cb -0.18 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2g0k s ALA 5 CO 0.09 0.18 0.49 0.95 0.00 0.00 0.00 175.76 177.46 2g0k s THR 6 N 0.43 5.03 0.10 0.00 -4.23 1.83 -4.72 115.64 114.08 2g0k s THR 6 Ca -0.11 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 2g0k s THR 6 Cb -0.14 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 2g0k s THR 6 CO 0.04 -0.36 -0.10 0.68 -0.54 0.00 0.00 174.62 174.34 2g0k s VAL 7 N 2.32 3.34 1.27 2.29 -7.23 -1.23 -0.38 120.40 120.77 2g0k s VAL 7 Ca 0.16 -1.27 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 2g0k s VAL 7 Cb -0.16 -2.56 0.32 0.00 0.56 0.00 0.00 36.38 34.54 2g0k s VAL 7 CO 0.14 0.12 1.10 0.28 -0.31 0.00 0.00 175.10 176.43 2g0k s THR 8 N -1.20 1.46 -0.11 5.32 -1.32 0.17 -4.90 115.64 115.07 2g0k s THR 8 Ca 0.21 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.39 2g0k s THR 8 Cb -0.11 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 2g0k s THR 8 CO 0.13 0.00 1.38 -2.16 -2.21 0.00 0.00 174.62 171.77 2g0k s PRO 9 N -5.50 4.23 0.00 7.08 0.04 -1.26 -4.69 135.00 134.91 2g0k s PRO 9 Ca 0.72 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.72 2g0k s PRO 9 Cb -0.08 -3.79 0.17 0.00 0.04 0.00 0.00 34.50 30.85 2g0k s PRO 9 CO 0.56 -0.71 1.01 -1.13 0.04 0.00 0.00 177.00 176.77 2g0k n SER 10 N 6.50 2.33 -4.42 6.66 3.41 -1.26 -4.89 113.62 121.95 2g0k n SER 10 Ca 0.15 -1.67 -0.34 0.00 -0.26 0.00 0.00 58.87 56.74 2g0k n SER 10 Cb 0.44 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.97 4.57 0.00 4.04 0.01 -0.06 -2.57 113.70 118.71 2g0k s SER 11 Ca 0.17 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2g0k s SER 11 Cb 0.11 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.58 2g0k s SER 11 CO 0.15 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2g0k n GLY 12 N 4.03 0.86 3.52 3.44 0.00 0.52 -4.68 105.19 112.87 2g0k n GLY 12 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2g0k n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 13 N 0.00 2.84 0.47 0.99 0.05 -1.26 -4.53 118.68 117.23 2g0k s LEU 13 Ca 0.00 -0.37 0.07 0.00 0.05 0.00 0.00 54.13 53.88 2g0k s LEU 13 Cb 0.00 -1.66 0.03 0.00 -2.05 0.00 0.00 46.19 42.51 2g0k s LEU 13 CO 0.00 0.23 0.64 -0.94 -0.55 0.00 0.00 176.35 175.73 2g0k s SER 14 N -1.69 5.50 0.62 1.48 1.04 -1.26 -4.68 113.70 114.71 2g0k s SER 14 Ca 0.17 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 2g0k s SER 14 Cb -0.11 -0.52 -0.10 0.00 0.10 0.00 0.00 66.02 65.39 2g0k s SER 14 CO 0.08 -0.92 0.16 -0.67 0.98 0.00 0.00 173.24 172.87 2g0k n ASP 15 N -1.99 -2.51 0.00 7.02 2.03 -1.26 -1.93 116.55 117.90 2g0k n ASP 15 Ca 0.09 0.62 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2g0k n ASP 15 Cb 0.60 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0k n GLY 16 N 2.18 3.20 3.76 0.27 0.00 -1.20 -5.00 105.19 108.40 2g0k n GLY 16 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.19 3.02 -0.16 2.61 2.01 -0.81 -4.93 115.64 115.18 2g0k s THR 17 Ca 0.00 0.97 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 2g0k s THR 17 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2g0k s THR 17 CO 0.00 0.21 0.05 0.54 -0.69 0.00 0.00 174.62 174.73 2g0k s VAL 18 N -0.82 4.74 0.39 3.82 0.11 -1.26 -2.10 120.40 125.28 2g0k s VAL 18 Ca 0.50 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.57 2g0k s VAL 18 Cb -0.37 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 2g0k s VAL 18 CO 0.46 0.50 0.42 -0.69 -3.33 0.00 0.00 175.10 172.46 2g0k s VAL 19 N 0.04 3.10 -0.05 2.04 1.01 0.41 -4.93 120.40 122.01 2g0k s VAL 19 Ca 0.05 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.86 2g0k s VAL 19 Cb -0.12 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2g0k s VAL 19 CO 0.01 -0.05 -0.20 -0.75 0.00 0.00 0.00 175.10 174.10 2g0k s LYS 20 N -4.16 2.10 -0.27 2.72 2.36 -1.26 -0.87 119.74 120.35 2g0k s LYS 20 Ca 0.48 -0.72 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 2g0k s LYS 20 Cb -0.06 -1.79 0.08 0.00 -1.05 0.00 0.00 37.83 35.01 2g0k s LYS 20 CO 0.29 0.28 0.03 0.54 1.55 0.00 0.00 175.35 178.04 2g0k s VAL 21 N 0.01 1.29 -0.27 4.02 0.11 -0.58 -0.65 120.40 124.32 2g0k s VAL 21 Ca -0.05 -1.38 -0.04 0.00 -2.93 0.00 0.00 61.98 57.57 2g0k s VAL 21 Cb -0.13 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 2g0k s VAL 21 CO 0.03 -0.40 0.01 0.00 -3.33 0.00 0.00 175.10 171.42 2g0k s ALA 22 N 1.45 2.90 0.26 1.54 0.00 0.48 -2.42 121.76 125.98 2g0k s ALA 22 Ca 0.03 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 2g0k s ALA 22 Cb -0.18 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2g0k s ALA 22 CO -0.13 -0.85 0.77 0.20 0.00 0.00 0.00 175.76 175.74 2g0k s GLY 23 N 1.42 2.59 -0.19 0.00 0.00 -0.96 0.49 107.32 110.68 2g0k s GLY 23 Ca 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 2g0k s GLY 23 CO -0.01 0.55 0.25 0.00 0.00 0.00 0.00 173.10 173.89 2g0k s ALA 24 N -1.64 -0.43 0.00 3.20 0.00 5.33 -3.09 121.76 125.14 2g0k s ALA 24 Ca 0.47 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2g0k s ALA 24 Cb -0.16 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2g0k s ALA 24 CO 0.20 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2g0k n GLY 25 N 5.33 1.62 0.00 0.00 0.00 -1.19 -0.09 105.19 110.86 2g0k n GLY 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.67 0.99 4.32 -1.03 -4.65 117.00 111.96 2g0k n LEU 26 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 2g0k n LEU 26 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 2g0k n LEU 26 CO 0.00 -0.29 0.10 -1.10 -1.22 0.00 0.00 177.39 174.88 2g0k s GLN 27 N -0.75 4.16 0.30 3.23 1.11 -1.26 -4.73 119.66 121.73 2g0k s GLN 27 Ca 0.00 0.20 -0.29 0.00 0.01 0.00 0.00 55.36 55.28 2g0k s GLN 27 Cb 0.00 -3.55 -0.10 0.00 -1.01 0.00 0.00 33.01 28.35 2g0k s GLN 27 CO 0.00 -0.06 1.43 0.00 0.01 0.00 0.00 175.29 176.67 2g0k s ALA 28 N 1.38 3.60 0.00 6.09 0.00 -1.26 -1.40 121.76 130.16 2g0k s ALA 28 Ca 0.19 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2g0k s ALA 28 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2g0k s ALA 28 CO 0.08 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2g0k n GLY 29 N 1.44 0.29 3.84 0.00 0.00 -0.64 -4.98 105.19 105.15 2g0k n GLY 29 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.66 4.93 0.10 2.61 -1.32 -0.50 -4.87 115.64 114.94 2g0k s THR 30 Ca 0.00 0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 61.29 2g0k s THR 30 Cb 0.00 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 2g0k s THR 30 CO 0.00 0.40 0.29 0.00 -2.21 0.00 0.00 174.62 173.10 2g0k s ALA 31 N -1.28 3.92 0.01 11.08 0.00 -1.26 -1.30 121.76 132.93 2g0k s ALA 31 Ca 0.31 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2g0k s ALA 31 Cb -0.16 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2g0k s ALA 31 CO 0.17 0.73 -0.02 0.71 0.00 0.00 0.00 175.76 177.35 2g0k s TYR 32 N -1.60 0.19 -0.31 0.00 2.02 -0.93 -3.31 117.35 113.41 2g0k s TYR 32 Ca 0.37 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.74 2g0k s TYR 32 Cb -0.12 -0.13 0.00 0.00 -0.40 0.00 0.00 41.96 41.31 2g0k s TYR 32 CO 0.27 -0.08 0.14 -0.51 -1.57 0.00 0.00 175.55 173.80 2g0k s ASP 33 N -0.68 5.44 0.09 2.29 1.01 1.31 -3.19 116.67 122.93 2g0k s ASP 33 Ca -0.07 -0.63 -0.00 0.00 0.71 0.00 0.00 52.55 52.56 2g0k s ASP 33 Cb -0.05 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2g0k s ASP 33 CO -0.00 -0.21 0.24 -0.69 0.21 0.00 0.00 175.17 174.71 2g0k s VAL 34 N 1.57 5.35 0.00 -1.27 1.01 0.03 0.66 120.40 127.75 2g0k s VAL 34 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2g0k s VAL 34 Cb -0.17 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2g0k s VAL 34 CO 0.05 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2g0k n GLY 35 N 0.12 0.35 3.34 4.51 0.00 2.16 -0.25 105.19 115.41 2g0k n GLY 35 Ca -0.05 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 3.42 0.40 1.61 0.74 -1.24 -0.80 119.66 121.79 2g0k s GLN 36 Ca 0.00 -0.61 0.08 0.00 0.05 0.00 0.00 55.36 54.88 2g0k s GLN 36 Cb 0.00 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 2g0k s GLN 36 CO 0.00 -0.16 0.27 0.00 -0.55 0.00 0.00 175.29 174.86 2g0k s ALA 38 N -2.50 -1.29 0.16 0.00 0.00 0.87 -3.37 121.76 115.63 2g0k s ALA 38 Ca 0.44 1.71 -0.32 0.00 0.00 0.00 0.00 51.96 53.80 2g0k s ALA 38 Cb -0.01 -1.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 2g0k s ALA 38 CO 0.25 -0.54 1.56 -0.46 0.00 0.00 0.00 175.76 176.58 2g0k s TRP 39 N 2.05 3.05 -0.13 0.00 -0.00 -1.26 -0.29 118.94 122.36 2g0k s TRP 39 Ca -0.06 0.63 0.03 0.00 -0.00 0.00 0.00 56.10 56.70 2g0k s TRP 39 Cb -0.10 -3.92 -0.10 0.00 -0.00 0.00 0.00 33.47 29.36 2g0k s TRP 39 CO -0.14 -3.38 -0.09 1.33 -0.00 0.00 0.00 176.95 174.67 2g0k n VAL 40 N 3.99 0.78 -3.94 5.86 0.24 -0.11 -4.82 118.33 120.33 2g0k n VAL 40 Ca 0.14 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 2g0k n VAL 40 Cb 0.39 -0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 31.75 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 -5.12 0.08 -0.23 -1.34 1.01 0.18 -5.01 116.67 106.24 2g0k s ASP 41 Ca -0.16 -0.83 -0.35 0.00 0.71 0.00 0.00 52.55 51.93 2g0k s ASP 41 Cb 0.04 0.40 -0.11 0.00 1.01 0.00 0.00 42.92 44.26 2g0k s ASP 41 CO 0.35 -0.83 2.03 1.07 0.21 0.00 0.00 175.17 177.99 2g0k n THR 42 N -0.16 0.37 -0.89 -1.27 5.66 -1.26 0.15 114.28 116.88 2g0k n THR 42 Ca -0.09 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2g0k n THR 42 Cb 0.63 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 5.39 0.66 3.10 1.09 0.00 -1.26 -4.97 105.19 109.19 2g0k n GLY 43 Ca 0.31 0.00 -0.32 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 -2.90 1.95 0.23 1.61 1.01 0.40 -5.10 120.40 117.60 2g0k s VAL 44 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.15 2g0k s VAL 44 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2g0k s VAL 44 CO 0.00 0.50 -0.10 -1.48 0.00 0.00 0.00 175.10 174.02 2g0k s LEU 45 N 1.33 2.50 -0.02 3.92 0.05 -1.26 0.47 118.68 125.67 2g0k s LEU 45 Ca 0.05 -1.10 0.06 0.00 0.05 0.00 0.00 54.13 53.19 2g0k s LEU 45 Cb -0.13 -0.62 -0.02 0.00 -2.05 0.00 0.00 46.19 43.37 2g0k s LEU 45 CO -0.12 -0.27 -0.20 0.00 -0.55 0.00 0.00 176.35 175.21 2g0k s ALA 46 N -3.03 1.70 0.12 1.48 0.00 0.60 -3.49 121.76 119.14 2g0k s ALA 46 Ca 0.25 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2g0k s ALA 46 Cb 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2g0k s ALA 46 CO 0.09 0.41 0.01 0.00 0.00 0.00 0.00 175.76 176.27 2g0k s ASN 48 N -2.57 4.99 0.00 0.00 2.47 -0.96 0.17 114.94 119.03 2g0k s ASN 48 Ca 0.27 -1.16 0.19 0.00 0.42 0.00 0.00 52.86 52.57 2g0k s ASN 48 Cb -0.11 -1.77 1.12 0.00 -1.45 0.00 0.00 41.25 39.05 2g0k s ASN 48 CO 0.19 -0.26 1.52 -0.81 -3.72 0.00 0.00 177.10 174.02 2g0k n PRO 49 N 4.70 0.62 0.10 0.43 -0.04 -1.26 -2.11 135.00 137.43 2g0k n PRO 49 Ca -0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2g0k n PRO 49 Cb 0.44 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.98 2.47 -1.06 0.55 0.00 -1.26 -3.94 120.51 116.30 2g0k n ALA 50 Ca 0.14 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2g0k n ALA 50 Cb 0.06 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.70 2.45 -4.55 0.00 5.68 -0.90 -4.98 116.55 111.55 2g0k n ASP 51 Ca -0.01 -3.08 -0.42 0.00 -0.50 0.00 0.00 54.79 50.78 2g0k n ASP 51 Cb 0.58 -0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 40.05 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 -2.86 3.14 0.24 2.11 -0.12 -1.16 -3.72 117.98 115.61 2g0k s PHE 52 Ca 0.32 0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.40 2g0k s PHE 52 Cb 0.28 -3.09 0.03 0.00 -0.63 0.00 0.00 43.02 39.60 2g0k s PHE 52 CO 0.03 -0.65 0.21 0.45 -0.05 0.00 0.00 175.22 175.22 2g0k n SER 53 N 5.96 1.61 -3.86 1.98 2.88 0.65 -4.93 113.62 117.91 2g0k n SER 53 Ca -0.03 -1.81 -0.10 0.00 -1.33 0.00 0.00 58.87 55.61 2g0k n SER 53 Cb 0.48 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.45 0.08 -0.02 -3.46 1.04 -1.26 -2.18 113.70 105.44 2g0k s SER 54 Ca 0.16 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 2g0k s SER 54 Cb -0.01 0.29 0.10 0.00 0.10 0.00 0.00 66.02 66.50 2g0k s SER 54 CO 0.10 -0.59 0.89 0.54 0.98 0.00 0.00 173.24 175.16 2g0k s VAL 55 N -2.85 0.00 -0.07 5.02 0.11 -1.19 -4.97 120.40 116.45 2g0k s VAL 55 Ca -0.03 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2g0k s VAL 55 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2g0k s VAL 55 CO -0.05 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -2.77 1.23 0.26 5.04 2.01 -1.26 -2.20 115.64 117.95 2g0k s THR 56 Ca 0.03 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 56 Cb -0.01 -1.12 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 2g0k s THR 56 CO -0.07 0.38 1.44 0.00 -0.69 0.00 0.00 174.62 175.68 2g0k s ALA 57 N 0.69 3.62 1.04 7.40 0.00 -0.42 -4.77 121.76 129.32 2g0k s ALA 57 Ca -0.14 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 2g0k s ALA 57 Cb -0.16 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.54 2g0k s ALA 57 CO 0.04 -0.75 0.66 -0.40 0.00 0.00 0.00 175.76 175.31 2g0k n ASP 58 N 2.15 -0.49 0.32 0.00 5.68 -0.72 -1.62 116.55 121.87 2g0k n ASP 58 Ca 0.06 -1.12 0.21 0.00 -0.50 0.00 0.00 54.79 53.44 2g0k n ASP 58 Cb 0.40 -0.54 1.08 0.00 -1.14 0.00 0.00 41.12 40.93 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 -2.06 1.00 -0.27 2.12 0.00 -1.94 0.13 119.26 118.23 2g0k h ALA 59 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2g0k h ALA 59 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2g0k h ALA 59 CO 0.15 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.49 2g0k n ASN 60 N -3.08 1.51 -2.46 0.00 4.13 -1.26 -4.84 115.26 109.26 2g0k n ASN 60 Ca -0.02 -2.01 -0.18 0.00 1.68 0.00 0.00 54.58 54.05 2g0k n ASN 60 Cb 0.13 -0.20 -0.01 0.00 -1.54 0.00 0.00 39.78 38.17 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2g0k n GLY 61 N 0.92 -0.50 3.17 7.41 0.00 0.44 -4.78 105.19 111.84 2g0k n GLY 61 Ca 0.09 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.09 2.33 0.28 1.61 0.15 -1.26 -2.46 113.70 112.27 2g0k s SER 62 Ca 0.02 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.36 2g0k s SER 62 Cb -0.01 -0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 63.65 2g0k s SER 62 CO 0.03 0.18 -0.06 0.00 1.20 0.00 0.00 173.24 174.59 2g0k s ALA 63 N -0.07 2.38 -0.20 5.45 0.00 -1.18 -1.76 121.76 126.38 2g0k s ALA 63 Ca -0.02 -1.91 -0.07 0.00 0.00 0.00 0.00 51.96 49.96 2g0k s ALA 63 Cb -0.11 0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.27 2g0k s ALA 63 CO 0.02 -0.06 0.43 -1.12 0.00 0.00 0.00 175.76 175.03 2g0k s SER 64 N -3.45 -0.27 0.15 0.00 0.01 -1.26 -2.26 113.70 106.62 2g0k s SER 64 Ca 0.30 0.97 -0.09 0.00 1.31 0.00 0.00 55.95 58.44 2g0k s SER 64 Cb 0.03 1.37 -0.01 0.00 0.21 0.00 0.00 66.02 67.63 2g0k s SER 64 CO 0.12 -0.23 0.26 -0.89 0.41 0.00 0.00 173.24 172.90 2g0k s THR 65 N 2.62 0.08 -0.14 1.44 2.01 -1.02 -4.99 115.64 115.65 2g0k s THR 65 Ca -0.01 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 2g0k s THR 65 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2g0k s THR 65 CO -0.13 -0.38 0.01 -0.44 -0.69 0.00 0.00 174.62 172.99 2g0k s SER 66 N -2.95 5.21 -0.18 3.53 0.01 -1.26 -1.53 113.70 116.52 2g0k s SER 66 Ca 0.15 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.45 2g0k s SER 66 Cb 0.04 -1.72 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2g0k s SER 66 CO -0.02 0.25 -0.19 -0.22 0.41 0.00 0.00 173.24 173.47 2g0k s LEU 67 N -0.11 2.17 0.26 2.44 1.98 -0.05 -4.86 118.68 120.51 2g0k s LEU 67 Ca 0.04 -0.64 -0.21 0.00 -2.89 0.00 0.00 54.13 50.44 2g0k s LEU 67 Cb -0.13 -1.49 -0.09 0.00 0.66 0.00 0.00 46.19 45.14 2g0k s LEU 67 CO 0.02 0.00 0.79 0.28 -1.89 0.00 0.00 176.35 175.55 2g0k s THR 68 N 1.28 4.47 -0.06 3.68 -1.32 -1.26 0.15 115.64 122.59 2g0k s THR 68 Ca 0.05 1.41 0.05 0.00 -1.21 0.00 0.00 61.69 61.99 2g0k s THR 68 Cb -0.13 -3.87 -0.01 0.00 -1.51 0.00 0.00 72.50 66.98 2g0k s THR 68 CO -0.12 0.14 -0.23 0.54 -2.21 0.00 0.00 174.62 172.74 2g0k s VAL 69 N -1.60 1.90 0.47 5.08 0.11 -0.89 -4.79 120.40 120.68 2g0k s VAL 69 Ca 0.46 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2g0k s VAL 69 Cb -0.16 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 2g0k s VAL 69 CO 0.21 0.53 0.08 -0.13 -3.33 0.00 0.00 175.10 172.46 2g0k s ARG 70 N -0.04 2.14 0.00 1.54 1.81 -1.26 -3.26 118.95 119.88 2g0k s ARG 70 Ca -0.06 -2.20 0.22 0.00 -1.72 0.00 0.00 55.73 51.97 2g0k s ARG 70 Cb -0.14 -1.69 -0.17 0.00 -0.45 0.00 0.00 34.95 32.50 2g0k s ARG 70 CO 0.04 -0.27 0.88 0.54 -0.68 0.00 0.00 175.30 175.80 2g0k n ARG 71 N -1.24 0.14 -3.62 3.54 1.74 -1.26 -4.68 116.66 111.28 2g0k n ARG 71 Ca -0.11 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 56.88 2g0k n ARG 71 Cb 0.66 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2g0k s SER 72 N -3.36 -0.22 -0.05 0.55 1.04 -1.26 0.71 113.70 111.11 2g0k s SER 72 Ca 0.05 0.32 -0.31 0.00 0.48 0.00 0.00 55.95 56.49 2g0k s SER 72 Cb 0.16 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.68 2g0k s SER 72 CO 0.86 -0.15 1.09 0.72 0.98 0.00 0.00 173.24 176.74 2g0k s PHE 73 N -0.58 -0.18 -0.13 5.02 -0.12 -0.56 -4.92 117.98 116.50 2g0k s PHE 73 Ca 0.04 0.06 -0.34 0.00 -0.05 0.00 0.00 56.93 56.64 2g0k s PHE 73 Cb -0.02 0.55 -0.11 0.00 -0.63 0.00 0.00 43.02 42.80 2g0k s PHE 73 CO -0.06 -0.41 1.95 -0.85 -0.05 0.00 0.00 175.22 175.80 2g0k n GLU 74 N -0.26 2.05 -2.49 1.99 0.00 -1.26 0.17 120.64 120.83 2g0k n GLU 74 Ca -0.05 0.72 -0.40 0.00 0.00 0.00 0.00 57.16 57.43 2g0k n GLU 74 Cb 0.60 -2.69 -0.03 0.00 0.00 0.00 0.00 31.44 29.33 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 4.85 0.93 -0.68 -1.84 0.00 0.30 -4.17 107.32 106.70 2g0k s GLY 75 Ca 0.95 -1.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 2g0k s GLY 75 CO 0.50 2.76 1.11 -0.12 0.00 0.00 0.00 173.10 177.35 2g0k s PHE 76 N 5.94 2.51 0.18 1.90 2.19 0.44 -0.66 117.98 130.47 2g0k s PHE 76 Ca 0.43 -0.26 -0.33 0.00 0.33 0.00 0.00 56.93 57.10 2g0k s PHE 76 Cb -0.06 -4.43 -0.13 0.00 -1.31 0.00 0.00 43.02 37.09 2g0k s PHE 76 CO 0.06 -1.81 1.59 -0.11 1.83 0.00 0.00 175.22 176.77 2g0k n LEU 77 N 8.45 3.29 -0.35 6.12 7.94 0.16 0.43 117.00 143.04 2g0k n LEU 77 Ca -0.00 1.09 0.28 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.47 -1.46 0.57 0.00 0.53 0.00 0.00 43.42 43.54 2g0k n LEU 77 CO 0.67 -0.21 1.24 2.19 -1.11 0.00 0.00 177.39 180.17 2g0k h PHE 78 N 5.86 0.53 0.00 1.96 -5.15 -1.86 1.61 116.94 119.89 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2g0k h PHE 78 Cb 1.25 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.27 2g0k h PHE 78 CO 0.62 -0.00 0.11 0.22 -2.00 0.00 0.00 178.31 177.26 2g0k h ASP 79 N 0.27 0.00 0.00 -0.68 1.82 -1.90 -3.44 116.42 112.50 2g0k h ASP 79 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 2g0k h ASP 79 Cb 1.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.85 2g0k h ASP 79 CO -0.28 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.96 2g0k n GLY 80 N -1.21 1.68 3.46 -0.78 0.00 0.55 -5.10 105.19 103.78 2g0k n GLY 80 Ca -0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 2.72 -0.79 2.61 2.01 -1.05 -4.93 115.64 114.21 2g0k s THR 81 Ca 0.00 -1.42 -0.23 0.00 0.31 0.00 0.00 61.69 60.35 2g0k s THR 81 Cb 0.00 -2.20 0.07 0.00 0.01 0.00 0.00 72.50 70.38 2g0k s THR 81 CO 0.00 0.19 1.14 -0.13 -0.69 0.00 0.00 174.62 175.13 2g0k s ARG 82 N -1.85 3.30 0.03 4.92 0.52 -1.26 0.40 118.95 125.01 2g0k s ARG 82 Ca 0.16 -0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 2g0k s ARG 82 Cb -0.10 -4.54 -0.17 0.00 0.52 0.00 0.00 34.95 30.66 2g0k s ARG 82 CO 0.08 -1.94 1.29 2.35 0.02 0.00 0.00 175.30 177.09 2g0k h TRP 83 N 9.55 -0.80 0.00 -0.53 7.01 -1.26 -3.48 115.95 126.44 2g0k h TRP 83 Ca -0.12 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.86 2g0k h TRP 83 Cb 1.05 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 2g0k h TRP 83 CO 1.09 -0.46 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 2g0k n GLY 84 N -0.85 2.53 3.57 2.65 0.00 -1.20 -4.94 105.19 106.95 2g0k n GLY 84 Ca -0.12 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.58 0.18 -3.12 2.61 -1.04 -1.26 0.11 114.28 110.17 2g0k n THR 85 Ca 0.00 -0.55 -0.37 0.00 -2.04 0.00 0.00 64.05 61.09 2g0k n THR 85 Cb 0.00 -2.51 -0.06 0.00 -1.82 0.00 0.00 70.33 65.94 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 9.56 4.58 -0.68 12.58 0.11 0.12 -4.83 120.40 141.85 2g0k s VAL 86 Ca 1.02 1.31 -0.17 0.00 -2.93 0.00 0.00 61.98 61.21 2g0k s VAL 86 Cb -0.36 -3.90 0.14 0.00 -1.53 0.00 0.00 36.38 30.73 2g0k s VAL 86 CO 0.34 0.32 0.72 -1.81 -3.33 0.00 0.00 175.10 171.33 2g0k s ASP 87 N -1.49 6.38 0.67 3.54 1.01 -1.26 -1.50 116.67 124.01 2g0k s ASP 87 Ca 0.39 -1.90 0.35 0.00 0.71 0.00 0.00 52.55 52.10 2g0k s ASP 87 Cb -0.18 -2.27 1.88 0.00 1.01 0.00 0.00 42.92 43.36 2g0k s ASP 87 CO 0.21 -0.91 2.06 0.00 0.21 0.00 0.00 175.17 176.74 2g0k n THR 89 N -2.95 0.06 -0.02 0.00 -2.24 -1.03 -3.76 114.28 104.34 2g0k n THR 89 Ca -0.02 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 2g0k n THR 89 Cb 0.29 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.11 0.30 -4.67 4.28 -1.04 0.43 -5.05 114.28 108.64 2g0k n THR 90 Ca 0.18 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 2g0k n THR 90 Cb 0.32 -0.54 -0.07 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.22 3.73 -0.24 2.41 0.00 -0.58 -5.06 121.76 119.79 2g0k s ALA 91 Ca -0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 2g0k s ALA 91 Cb 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2g0k s ALA 91 CO 0.25 -0.15 0.28 0.00 0.00 0.00 0.00 175.76 176.14 2g0k s ALA 92 N -3.01 3.57 0.21 0.00 0.00 -1.26 -4.72 121.76 116.55 2g0k s ALA 92 Ca 0.10 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2g0k s ALA 92 Cb 0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2g0k s ALA 92 CO 0.07 -0.39 0.20 0.00 0.00 0.00 0.00 175.76 175.64 2g0k s GLN 94 N -3.53 0.79 0.31 0.00 -2.07 -1.22 0.36 119.66 114.30 2g0k s GLN 94 Ca 0.32 0.48 -0.02 0.00 -1.82 0.00 0.00 55.36 54.32 2g0k s GLN 94 Cb -0.09 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2g0k s GLN 94 CO 0.25 -0.17 0.54 0.08 -1.32 0.00 0.00 175.29 174.66 2g0k s VAL 95 N -0.42 5.08 -0.03 3.63 1.01 -0.84 -2.48 120.40 126.35 2g0k s VAL 95 Ca -0.06 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2g0k s VAL 95 Cb -0.03 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.67 2g0k s VAL 95 CO 0.04 -0.42 1.15 -0.83 0.00 0.00 0.00 175.10 175.04 2g0k s GLY 96 N -3.55 -0.35 0.01 4.51 0.00 0.02 -3.97 107.32 103.99 2g0k s GLY 96 Ca 0.42 0.87 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2g0k s GLY 96 CO 0.33 0.24 -0.05 0.48 0.00 0.00 0.00 173.10 174.09 2g0k s LEU 97 N -2.69 2.09 0.04 0.66 2.34 1.46 0.55 118.68 123.13 2g0k s LEU 97 Ca 0.11 -0.24 0.03 0.00 0.06 0.00 0.00 54.13 54.09 2g0k s LEU 97 Cb 0.01 -0.20 -0.02 0.00 -0.56 0.00 0.00 46.19 45.42 2g0k s LEU 97 CO -0.04 -0.04 -0.10 -0.44 -1.06 0.00 0.00 176.35 174.67 2g0k s SER 98 N -0.61 1.18 0.23 1.48 0.01 3.00 -2.73 113.70 116.25 2g0k s SER 98 Ca -0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2g0k s SER 98 Cb -0.05 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2g0k s SER 98 CO -0.00 -0.08 0.00 -0.90 0.41 0.00 0.00 173.24 172.66 2g0k n ASP 99 N 1.74 0.00 0.01 2.44 5.75 0.39 0.40 116.55 127.27 2g0k n ASP 99 Ca -0.20 -0.70 -0.10 0.00 -0.01 0.00 0.00 54.79 53.78 2g0k n ASP 99 Cb 0.55 0.00 -0.05 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 -0.62 0.05 0.00 2.12 0.00 -1.90 -1.25 119.26 117.66 2g0k h ALA 100 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2g0k h ALA 100 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2g0k h ALA 100 CO 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 179.25 178.55 2g0k h ALA 101 N 1.07 1.13 0.00 0.00 0.00 -1.95 -3.46 119.26 116.04 2g0k h ALA 101 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 101 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2g0k h ALA 101 CO -0.10 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2g0k n GLY 102 N -0.20 0.97 3.23 0.00 0.00 -0.47 -5.13 105.19 103.60 2g0k n GLY 102 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2g0k n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g0k n ASN 103 N 0.00 2.90 0.00 1.61 6.94 -1.26 -4.69 115.26 120.76 2g0k n ASN 103 Ca 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 2g0k n ASN 103 Cb 0.00 0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 2g0k n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2g0k n GLY 104 N -0.46 0.89 3.74 4.83 0.00 -1.26 -0.46 105.19 112.46 2g0k n GLY 104 Ca -0.17 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.23 4.47 0.00 1.61 0.04 -1.26 -4.59 135.00 134.04 2g0k s PRO 105 Ca 0.00 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.94 2g0k s PRO 105 Cb 0.00 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2g0k s PRO 105 CO 0.00 -0.12 -0.03 -1.83 0.04 0.00 0.00 177.00 175.06 2g0k s GLU 106 N -0.11 0.24 0.00 4.56 -1.05 -1.26 -4.08 118.70 117.00 2g0k s GLU 106 Ca 0.54 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 2g0k s GLU 106 Cb -0.33 -0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.17 2g0k s GLU 106 CO 0.36 0.05 0.00 0.41 0.95 0.00 0.00 175.26 177.03 2g0k n GLY 107 N 2.79 -0.10 2.70 -3.83 0.00 -1.26 -4.27 105.19 101.21 2g0k n GLY 107 Ca -0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.59 0.18 1.61 1.01 -1.25 -4.89 120.40 117.65 2g0k s VAL 108 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2g0k s VAL 108 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2g0k s VAL 108 CO 0.00 -0.56 0.37 0.00 0.00 0.00 0.00 175.10 174.91 2g0k s ALA 109 N 1.78 3.84 0.33 5.51 0.00 -1.26 -1.99 121.76 129.96 2g0k s ALA 109 Ca 0.07 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.33 2g0k s ALA 109 Cb -0.17 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 2g0k s ALA 109 CO -0.23 0.50 -0.06 0.42 0.00 0.00 0.00 175.76 176.38 2g0k s ILE 110 N -1.81 2.52 -0.28 0.00 1.01 1.12 -4.72 121.20 119.03 2g0k s ILE 110 Ca 0.38 -2.13 -0.17 0.00 0.00 0.00 0.00 60.65 58.74 2g0k s ILE 110 Cb -0.11 -2.66 0.09 0.00 0.01 0.00 0.00 42.46 39.79 2g0k s ILE 110 CO 0.28 -0.25 0.76 -0.55 0.00 0.00 0.00 174.94 175.19 2g0k s SER 111 N -3.64 -0.83 -0.24 3.58 0.15 -1.06 -4.21 113.70 107.45 2g0k s SER 111 Ca 0.33 1.34 -0.06 0.00 0.70 0.00 0.00 55.95 58.26 2g0k s SER 111 Cb -0.00 1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.63 2g0k s SER 111 CO 0.18 -0.21 0.03 -0.36 1.20 0.00 0.00 173.24 174.07 2g0k s PHE 112 N 1.44 3.04 0.00 3.44 0.40 -1.26 -0.36 117.98 124.68 2g0k s PHE 112 Ca -0.09 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 2g0k s PHE 112 Cb -0.05 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.30 2g0k s PHE 112 CO -0.17 -0.43 0.00 -1.71 0.70 0.00 0.00 175.22 173.61