#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 3.62 1.16 0.00 0.00 -1.26 -4.76 121.76 120.52 2g0k s ALA 2 Ca 0.00 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2g0k s ALA 2 Cb 0.00 -3.75 0.24 0.00 0.00 0.00 0.00 23.12 19.61 2g0k s ALA 2 CO 0.00 -1.36 0.96 -0.35 0.00 0.00 0.00 175.76 175.00 2g0k n PRO 3 N 6.92 -2.36 -3.40 0.00 -0.04 -1.26 -4.21 135.00 130.65 2g0k n PRO 3 Ca 0.17 -1.51 -0.43 0.00 -0.04 0.00 0.00 63.50 61.69 2g0k n PRO 3 Cb 0.42 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.84 5.20 0.07 0.52 2.01 -0.57 -1.30 115.64 118.73 2g0k s THR 4 Ca 0.60 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.03 2g0k s THR 4 Cb -0.05 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2g0k s THR 4 CO 0.45 -0.41 -0.21 0.00 -0.69 0.00 0.00 174.62 173.76 2g0k s ALA 5 N 1.82 1.83 -0.31 7.40 0.00 -1.25 0.62 121.76 131.88 2g0k s ALA 5 Ca 0.07 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 2g0k s ALA 5 Cb -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2g0k s ALA 5 CO 0.10 0.40 0.13 0.95 0.00 0.00 0.00 175.76 177.34 2g0k s THR 6 N -0.93 4.36 0.06 0.00 -4.23 1.04 -4.83 115.64 111.10 2g0k s THR 6 Ca 0.08 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2g0k s THR 6 Cb -0.09 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 2g0k s THR 6 CO 0.03 0.03 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.42 2g0k s VAL 7 N 1.56 3.84 1.21 2.29 1.01 -1.25 -0.50 120.40 128.58 2g0k s VAL 7 Ca 0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2g0k s VAL 7 Cb -0.17 -2.77 0.29 0.00 0.00 0.00 0.00 36.38 33.72 2g0k s VAL 7 CO 0.05 0.22 1.06 0.28 0.00 0.00 0.00 175.10 176.72 2g0k s THR 8 N -1.18 1.62 -0.19 3.92 -1.32 -0.02 -4.89 115.64 113.57 2g0k s THR 8 Ca 0.22 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.41 2g0k s THR 8 Cb -0.11 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 2g0k s THR 8 CO 0.14 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.83 2g0k s PRO 9 N -5.19 4.02 -0.55 7.08 0.04 -1.26 -4.74 135.00 134.40 2g0k s PRO 9 Ca 0.69 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2g0k s PRO 9 Cb -0.13 -3.91 0.41 0.00 0.04 0.00 0.00 34.50 30.91 2g0k s PRO 9 CO 0.57 -1.00 1.42 -1.13 0.04 0.00 0.00 177.00 176.91 2g0k n SER 10 N 7.47 5.68 -3.84 6.66 3.41 -1.26 -4.90 113.62 126.84 2g0k n SER 10 Ca 0.16 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.71 2g0k n SER 10 Cb 0.45 -0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 63.60 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 -2.77 3.80 0.00 4.04 0.01 -1.20 -1.25 113.70 116.33 2g0k s SER 11 Ca 0.50 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2g0k s SER 11 Cb 0.42 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.65 2g0k s SER 11 CO -0.22 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2g0k n GLY 12 N 4.77 1.34 3.59 3.44 0.00 -1.18 -4.73 105.19 112.41 2g0k n GLY 12 Ca -0.07 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 3.67 0.42 0.99 1.43 -1.26 -4.84 118.68 119.09 2g0k s LEU 13 Ca 0.00 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 2g0k s LEU 13 Cb 0.00 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2g0k s LEU 13 CO 0.00 0.16 0.45 -0.44 0.23 0.00 0.00 176.35 176.75 2g0k s SER 14 N 0.45 5.25 0.28 2.29 0.01 -1.26 -4.86 113.70 115.86 2g0k s SER 14 Ca 0.02 -0.65 -0.27 0.00 1.31 0.00 0.00 55.95 56.36 2g0k s SER 14 Cb -0.13 -0.56 -0.15 0.00 0.21 0.00 0.00 66.02 65.39 2g0k s SER 14 CO 0.01 -0.72 0.68 -0.90 0.41 0.00 0.00 173.24 172.72 2g0k n ASP 15 N -1.67 -0.37 0.00 2.44 5.75 -1.26 -1.91 116.55 119.53 2g0k n ASP 15 Ca 0.05 1.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 2g0k n ASP 15 Cb 0.61 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g0k n GLY 16 N 1.70 2.97 3.81 6.12 0.00 -1.26 -5.00 105.19 113.54 2g0k n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.70 4.31 -0.15 2.61 2.01 -0.80 -5.00 115.64 115.91 2g0k s THR 17 Ca 0.00 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.48 2g0k s THR 17 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2g0k s THR 17 CO 0.00 -0.28 -0.18 0.54 -0.69 0.00 0.00 174.62 174.02 2g0k s VAL 18 N -2.12 1.81 0.39 3.82 0.11 -1.26 -2.52 120.40 120.63 2g0k s VAL 18 Ca 0.62 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 2g0k s VAL 18 Cb -0.11 -1.65 -0.07 0.00 -1.53 0.00 0.00 36.38 33.02 2g0k s VAL 18 CO 0.15 0.50 0.78 -0.69 -3.33 0.00 0.00 175.10 172.51 2g0k s VAL 19 N 1.23 4.72 -0.04 2.04 1.01 0.60 -4.87 120.40 125.09 2g0k s VAL 19 Ca 0.01 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 2g0k s VAL 19 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2g0k s VAL 19 CO -0.08 -0.43 0.04 -0.75 0.00 0.00 0.00 175.10 173.88 2g0k s LYS 20 N -3.58 2.98 -0.15 2.72 2.36 -1.26 0.65 119.74 123.45 2g0k s LYS 20 Ca 0.53 -0.48 -0.04 0.00 -2.55 0.00 0.00 55.97 53.43 2g0k s LYS 20 Cb -0.10 -2.80 0.06 0.00 -1.05 0.00 0.00 37.83 33.93 2g0k s LYS 20 CO 0.27 0.67 0.10 0.14 1.55 0.00 0.00 175.35 178.07 2g0k s VAL 21 N -1.06 -0.12 -0.17 4.02 -7.23 -0.65 -0.84 120.40 114.36 2g0k s VAL 21 Ca 0.18 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 2g0k s VAL 21 Cb -0.12 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.33 2g0k s VAL 21 CO 0.09 -0.21 -0.13 0.00 -0.31 0.00 0.00 175.10 174.54 2g0k s ALA 22 N 2.17 1.94 0.28 1.32 0.00 0.35 -1.91 121.76 125.90 2g0k s ALA 22 Ca 0.03 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 2g0k s ALA 22 Cb -0.15 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.72 2g0k s ALA 22 CO -0.08 -0.57 0.81 0.20 0.00 0.00 0.00 175.76 176.12 2g0k s GLY 23 N 1.44 2.62 -0.16 0.00 0.00 -0.99 0.34 107.32 110.57 2g0k s GLY 23 Ca 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 2g0k s GLY 23 CO -0.10 0.63 0.20 0.00 0.00 0.00 0.00 173.10 173.83 2g0k s ALA 24 N -1.65 -0.20 0.00 3.20 0.00 2.72 -2.62 121.76 123.21 2g0k s ALA 24 Ca 0.48 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2g0k s ALA 24 Cb -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2g0k s ALA 24 CO 0.21 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2g0k n GLY 25 N 5.32 0.87 3.96 0.00 0.00 -1.07 -1.51 105.19 112.76 2g0k n GLY 25 Ca -0.05 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 3.11 -0.19 0.99 1.02 -0.97 -4.71 118.68 117.93 2g0k s LEU 26 Ca 0.00 0.08 -0.37 0.00 0.02 0.00 0.00 54.13 53.86 2g0k s LEU 26 Cb 0.00 -2.84 -0.13 0.00 0.02 0.00 0.00 46.19 43.23 2g0k s LEU 26 CO 0.00 -1.35 1.84 0.00 0.02 0.00 0.00 176.35 176.86 2g0k n GLN 27 N -2.56 1.68 -2.38 1.70 6.02 -1.26 -4.53 117.38 116.04 2g0k n GLN 27 Ca 0.09 0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 57.27 2g0k n GLN 27 Cb 0.60 -2.40 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g0k s ALA 28 N 4.02 3.42 0.00 -1.58 0.00 -1.26 -2.32 121.76 124.04 2g0k s ALA 28 Ca 0.96 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2g0k s ALA 28 Cb -0.87 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2g0k s ALA 28 CO 0.58 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.29 2g0k n GLY 29 N 3.20 0.56 3.81 0.00 0.00 -0.66 -4.94 105.19 107.17 2g0k n GLY 29 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 30 N -2.35 5.17 0.45 2.61 2.01 -0.98 -4.83 115.64 117.72 2g0k s THR 30 Ca 0.00 0.69 -0.17 0.00 0.31 0.00 0.00 61.69 62.52 2g0k s THR 30 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2g0k s THR 30 CO 0.00 0.53 0.92 0.00 -0.69 0.00 0.00 174.62 175.37 2g0k s ALA 31 N -0.63 3.12 0.00 7.40 0.00 -1.26 -2.35 121.76 128.04 2g0k s ALA 31 Ca 0.21 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2g0k s ALA 31 Cb -0.15 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 2g0k s ALA 31 CO 0.10 -0.01 -0.03 0.71 0.00 0.00 0.00 175.76 176.53 2g0k s TYR 32 N -2.36 0.25 -0.33 0.00 2.02 -0.83 -3.97 117.35 112.13 2g0k s TYR 32 Ca 0.58 -0.09 -0.09 0.00 -0.37 0.00 0.00 57.07 57.10 2g0k s TYR 32 Cb -0.10 -0.16 0.01 0.00 -0.40 0.00 0.00 41.96 41.31 2g0k s TYR 32 CO 0.23 -0.02 0.14 -0.51 -1.57 0.00 0.00 175.55 173.83 2g0k s ASP 33 N -0.22 5.45 0.02 2.29 1.01 4.52 -3.22 116.67 126.53 2g0k s ASP 33 Ca -0.01 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.49 2g0k s ASP 33 Cb -0.02 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 2g0k s ASP 33 CO -0.00 -0.26 0.15 -0.69 0.21 0.00 0.00 175.17 174.58 2g0k s VAL 34 N 1.54 5.10 -0.00 -1.27 1.01 -0.31 1.59 120.40 128.07 2g0k s VAL 34 Ca 0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2g0k s VAL 34 Cb -0.18 -3.41 0.11 0.00 0.00 0.00 0.00 36.38 32.90 2g0k s VAL 34 CO 0.05 0.26 1.18 -0.83 0.00 0.00 0.00 175.10 175.76 2g0k s GLY 35 N -2.09 -0.36 -0.29 4.51 0.00 4.81 -0.46 107.32 113.44 2g0k s GLY 35 Ca 0.28 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 2g0k s GLY 35 CO 0.20 0.16 0.02 1.62 0.00 0.00 0.00 173.10 175.10 2g0k s GLN 36 N -2.65 2.80 -0.02 2.90 0.74 -1.26 -0.09 119.66 122.09 2g0k s GLN 36 Ca 0.13 -1.03 0.04 0.00 0.05 0.00 0.00 55.36 54.55 2g0k s GLN 36 Cb 0.02 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 2g0k s GLN 36 CO -0.03 -0.50 -0.14 0.00 -0.55 0.00 0.00 175.29 174.07 2g0k s ALA 38 N -0.82 1.98 0.14 0.00 0.00 0.11 -2.74 121.76 120.42 2g0k s ALA 38 Ca 0.13 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 2g0k s ALA 38 Cb -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 2g0k s ALA 38 CO 0.03 0.19 1.60 -0.46 0.00 0.00 0.00 175.76 177.13 2g0k s TRP 39 N 0.50 2.87 -0.14 0.00 -0.00 -1.25 -1.18 118.94 119.74 2g0k s TRP 39 Ca -0.16 0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 56.44 2g0k s TRP 39 Cb -0.17 -3.95 -0.08 0.00 -0.00 0.00 0.00 33.47 29.27 2g0k s TRP 39 CO 0.06 -3.61 -0.14 1.33 -0.00 0.00 0.00 176.95 174.59 2g0k n VAL 40 N 4.19 0.77 -4.06 5.86 0.24 -0.60 -4.81 118.33 119.92 2g0k n VAL 40 Ca 0.15 -0.26 -0.07 0.00 -2.04 0.00 0.00 64.34 62.12 2g0k n VAL 40 Cb 0.39 -1.25 -0.10 0.00 -1.47 0.00 0.00 33.84 31.41 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 -5.68 0.43 -0.21 -1.34 1.01 0.41 -5.02 116.67 106.28 2g0k s ASP 41 Ca -0.19 -0.95 -0.32 0.00 0.71 0.00 0.00 52.55 51.80 2g0k s ASP 41 Cb 0.06 0.22 -0.09 0.00 1.01 0.00 0.00 42.92 44.12 2g0k s ASP 41 CO 0.28 -0.62 2.10 0.41 0.21 0.00 0.00 175.17 177.55 2g0k n THR 42 N 0.08 0.38 -1.00 -1.27 -1.04 -1.26 0.11 114.28 110.29 2g0k n THR 42 Ca -0.14 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2g0k n THR 42 Cb 0.61 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 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 5.56 0.60 2.83 3.41 0.00 -1.26 -5.00 105.19 111.33 2g0k n GLY 43 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.38 1.01 0.04 1.61 1.01 0.31 -5.09 120.40 116.90 2g0k s VAL 44 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2g0k s VAL 44 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2g0k s VAL 44 CO 0.00 -0.21 -0.23 -0.22 0.00 0.00 0.00 175.10 174.44 2g0k s LEU 45 N 1.63 2.36 -0.03 3.92 2.96 -1.26 -0.44 118.68 127.82 2g0k s LEU 45 Ca -0.02 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2g0k s LEU 45 Cb -0.18 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2g0k s LEU 45 CO -0.09 0.27 0.04 0.00 -1.32 0.00 0.00 176.35 175.25 2g0k s ALA 46 N -0.84 3.45 0.14 5.97 0.00 -0.33 -1.89 121.76 128.26 2g0k s ALA 46 Ca 0.13 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2g0k s ALA 46 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2g0k s ALA 46 CO 0.03 0.65 -0.01 0.00 0.00 0.00 0.00 175.76 176.43 2g0k s ASN 48 N -2.68 5.17 0.00 0.00 2.47 -0.63 0.17 114.94 119.44 2g0k s ASN 48 Ca 0.26 -1.36 0.20 0.00 0.42 0.00 0.00 52.86 52.38 2g0k s ASN 48 Cb -0.10 -1.81 1.15 0.00 -1.45 0.00 0.00 41.25 39.04 2g0k s ASN 48 CO 0.18 -0.35 1.57 -0.81 -3.72 0.00 0.00 177.10 173.97 2g0k n PRO 49 N 4.71 0.57 0.01 0.43 -0.04 -1.26 -1.96 135.00 137.47 2g0k n PRO 49 Ca -0.11 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2g0k n PRO 49 Cb 0.43 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.04 3.70 -1.49 0.55 0.00 -1.26 -4.00 120.51 116.98 2g0k n ALA 50 Ca 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2g0k n ALA 50 Cb 0.08 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.63 1.19 -4.56 0.00 8.00 -0.83 -5.02 116.55 113.71 2g0k n ASP 51 Ca 0.04 -2.52 -0.43 0.00 0.71 0.00 0.00 54.79 52.60 2g0k n ASP 51 Cb 0.36 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 2g0k n ASP 51 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2g0k s PHE 52 N -1.43 2.80 0.48 1.24 2.19 -1.13 -3.98 117.98 118.14 2g0k s PHE 52 Ca 0.16 0.30 0.08 0.00 0.33 0.00 0.00 56.93 57.80 2g0k s PHE 52 Cb 0.14 -4.18 0.03 0.00 -1.31 0.00 0.00 43.02 37.70 2g0k s PHE 52 CO 0.01 -1.31 0.61 0.45 1.83 0.00 0.00 175.22 176.81 2g0k s SER 53 N 2.63 5.34 -0.01 6.13 0.15 0.39 -4.95 113.70 123.39 2g0k s SER 53 Ca 0.37 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 2g0k s SER 53 Cb -0.10 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2g0k s SER 53 CO 0.24 -0.96 0.19 -0.94 1.20 0.00 0.00 173.24 172.97 2g0k s SER 54 N -4.42 -0.04 -0.00 5.45 1.04 -1.26 -2.03 113.70 112.43 2g0k s SER 54 Ca 0.55 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.60 2g0k s SER 54 Cb -0.07 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.40 2g0k s SER 54 CO 0.34 -0.37 0.88 0.54 0.98 0.00 0.00 173.24 175.60 2g0k s VAL 55 N -1.29 0.00 -0.03 5.02 0.11 -1.20 -5.00 120.40 118.02 2g0k s VAL 55 Ca -0.14 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2g0k s VAL 55 Cb -0.07 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2g0k s VAL 55 CO 0.02 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.75 2g0k s THR 56 N -3.09 1.25 0.34 5.04 2.01 -1.26 -1.96 115.64 117.97 2g0k s THR 56 Ca 0.05 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.14 2g0k s THR 56 Cb -0.01 -1.07 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 2g0k s THR 56 CO -0.09 0.36 1.11 0.00 -0.69 0.00 0.00 174.62 175.32 2g0k s ALA 57 N -0.04 3.27 0.96 7.40 0.00 -0.99 -4.75 121.76 127.61 2g0k s ALA 57 Ca -0.01 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2g0k s ALA 57 Cb -0.09 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.75 2g0k s ALA 57 CO 0.01 -0.28 0.33 -0.40 0.00 0.00 0.00 175.76 175.42 2g0k n ASP 58 N 0.60 0.05 0.30 0.00 5.68 -0.94 -1.65 116.55 120.59 2g0k n ASP 58 Ca 0.02 -1.13 0.18 0.00 -0.50 0.00 0.00 54.79 53.36 2g0k n ASP 58 Cb 0.46 -0.25 0.95 0.00 -1.14 0.00 0.00 41.12 41.15 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 -1.85 1.15 -0.01 2.12 0.00 -1.92 0.91 119.26 119.66 2g0k h ALA 59 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 59 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2g0k h ALA 59 CO 0.08 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.46 2g0k n ASN 60 N -3.34 0.15 -2.50 0.00 4.13 -1.26 -4.86 115.26 107.57 2g0k n ASN 60 Ca -0.02 -1.43 -0.21 0.00 1.68 0.00 0.00 54.58 54.60 2g0k n ASN 60 Cb 0.16 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 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 0.83 -0.49 3.07 7.41 0.00 0.29 -4.71 105.19 111.60 2g0k n GLY 61 Ca 0.14 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.23 1.84 0.30 1.61 0.15 -1.26 -2.30 113.70 111.82 2g0k s SER 62 Ca 0.07 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.50 2g0k s SER 62 Cb -0.03 -0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 63.60 2g0k s SER 62 CO 0.09 0.10 -0.08 0.00 1.20 0.00 0.00 173.24 174.55 2g0k s ALA 63 N 0.26 2.55 -0.10 5.45 0.00 -1.08 -2.22 121.76 126.63 2g0k s ALA 63 Ca -0.07 -1.96 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 2g0k s ALA 63 Cb -0.12 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.14 2g0k s ALA 63 CO 0.02 -0.01 0.24 -1.12 0.00 0.00 0.00 175.76 174.89 2g0k s SER 64 N -3.50 -0.25 0.20 0.00 0.01 -1.26 -2.34 113.70 106.57 2g0k s SER 64 Ca 0.30 0.50 -0.18 0.00 1.31 0.00 0.00 55.95 57.88 2g0k s SER 64 Cb 0.03 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2g0k s SER 64 CO 0.13 -0.16 0.55 -0.89 0.41 0.00 0.00 173.24 173.28 2g0k s THR 65 N 1.26 0.02 -0.16 1.44 2.01 -0.80 -4.95 115.64 114.46 2g0k s THR 65 Ca -0.09 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 65 Cb -0.10 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.89 2g0k s THR 65 CO -0.08 -0.09 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.20 2g0k s SER 66 N -2.86 2.83 0.22 3.53 0.01 -1.26 -1.63 113.70 114.53 2g0k s SER 66 Ca 0.08 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2g0k s SER 66 Cb -0.01 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 2g0k s SER 66 CO -0.03 -0.10 0.38 -0.22 0.41 0.00 0.00 173.24 173.69 2g0k s LEU 67 N 1.50 4.24 -0.12 2.44 0.20 0.21 -4.91 118.68 122.23 2g0k s LEU 67 Ca 0.03 0.31 -0.00 0.00 0.69 0.00 0.00 54.13 55.15 2g0k s LEU 67 Cb -0.14 -3.08 -0.02 0.00 -0.43 0.00 0.00 46.19 42.52 2g0k s LEU 67 CO -0.10 -0.06 -0.10 0.28 -0.29 0.00 0.00 176.35 176.08 2g0k s THR 68 N -1.92 3.35 -0.18 3.68 -1.32 -1.26 0.22 115.64 118.21 2g0k s THR 68 Ca 0.37 -0.57 -0.06 0.00 -1.21 0.00 0.00 61.69 60.22 2g0k s THR 68 Cb -0.10 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 68 CO 0.30 0.54 0.02 0.54 -2.21 0.00 0.00 174.62 173.81 2g0k s VAL 69 N 0.04 4.33 0.32 5.08 0.11 -1.05 -4.85 120.40 124.40 2g0k s VAL 69 Ca -0.03 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2g0k s VAL 69 Cb -0.14 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2g0k s VAL 69 CO 0.04 0.45 0.13 -0.13 -3.33 0.00 0.00 175.10 172.26 2g0k s ARG 70 N 0.60 2.42 0.00 1.54 3.00 -1.26 -4.02 118.95 121.22 2g0k s ARG 70 Ca 0.01 -1.48 0.24 0.00 0.00 0.00 0.00 55.73 54.50 2g0k s ARG 70 Cb -0.14 -2.22 0.39 0.00 0.00 0.00 0.00 34.95 32.99 2g0k s ARG 70 CO 0.02 0.16 1.34 2.89 0.00 0.00 0.00 175.30 179.71 2g0k n ARG 71 N -1.13 0.09 -3.63 3.54 1.85 -1.26 -4.55 116.66 111.57 2g0k n ARG 71 Ca -0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 57.85 56.70 2g0k n ARG 71 Cb 0.61 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.46 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 -2.95 -0.18 -0.21 2.89 0.15 -1.26 0.12 113.70 112.26 2g0k s SER 72 Ca 0.12 0.29 -0.34 0.00 0.70 0.00 0.00 55.95 56.72 2g0k s SER 72 Cb 0.17 0.28 0.15 0.00 -1.71 0.00 0.00 66.02 64.91 2g0k s SER 72 CO 0.71 -0.11 1.24 0.72 1.20 0.00 0.00 173.24 177.00 2g0k s PHE 73 N -0.40 -0.12 -0.16 3.44 -0.12 -0.73 -4.93 117.98 114.96 2g0k s PHE 73 Ca 0.05 0.11 -0.34 0.00 -0.05 0.00 0.00 56.93 56.70 2g0k s PHE 73 Cb -0.03 0.51 -0.11 0.00 -0.63 0.00 0.00 43.02 42.75 2g0k s PHE 73 CO -0.09 -0.17 1.97 -0.85 -0.05 0.00 0.00 175.22 176.04 2g0k n GLU 74 N 0.08 1.90 -2.57 1.99 0.28 -1.26 -0.32 120.64 120.74 2g0k n GLU 74 Ca 0.00 0.66 -0.41 0.00 -0.16 0.00 0.00 57.16 57.25 2g0k n GLU 74 Cb 0.58 -2.65 -0.03 0.00 1.43 0.00 0.00 31.44 30.77 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 5.15 0.92 -0.70 -1.84 0.00 0.21 -4.36 107.32 106.70 2g0k s GLY 75 Ca 0.97 -1.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 2g0k s GLY 75 CO 0.50 2.61 1.15 -1.36 0.00 0.00 0.00 173.10 176.00 2g0k s PHE 76 N 5.60 2.45 0.27 1.90 0.08 0.44 -1.07 117.98 127.65 2g0k s PHE 76 Ca 0.35 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 2g0k s PHE 76 Cb -0.08 -4.49 -0.13 0.00 -0.57 0.00 0.00 43.02 37.75 2g0k s PHE 76 CO 0.16 -1.89 1.33 -0.11 -0.10 0.00 0.00 175.22 174.61 2g0k n LEU 77 N 8.67 3.07 -0.34 -0.37 7.94 0.14 0.56 117.00 136.68 2g0k n LEU 77 Ca 0.00 1.16 0.22 0.00 -1.11 0.00 0.00 56.01 56.28 2g0k n LEU 77 Cb 0.48 -1.43 0.44 0.00 0.53 0.00 0.00 43.42 43.44 2g0k n LEU 77 CO 0.68 -0.59 1.14 -0.26 -1.11 0.00 0.00 177.39 177.25 2g0k h PHE 78 N 3.52 0.96 0.00 1.96 -1.00 -1.69 2.01 116.94 122.70 2g0k h PHE 78 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.29 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.58 2g0k h PHE 78 CO 0.54 -0.08 0.14 0.22 -1.61 0.00 0.00 178.31 177.52 2g0k h ASP 79 N 0.43 0.00 0.00 2.17 1.82 -1.88 -3.44 116.42 115.52 2g0k h ASP 79 Ca 0.70 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.34 2g0k h ASP 79 Cb 1.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.51 2g0k h ASP 79 CO -0.55 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.69 2g0k n GLY 80 N -1.22 1.56 3.53 -0.78 0.00 0.68 -5.10 105.19 103.86 2g0k n GLY 80 Ca -0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 3.38 -0.89 2.61 2.01 -1.09 -4.90 115.64 114.76 2g0k s THR 81 Ca 0.00 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 2g0k s THR 81 Cb 0.00 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.19 2g0k s THR 81 CO 0.00 0.59 1.39 0.00 -0.69 0.00 0.00 174.62 175.91 2g0k s ARG 82 N -0.78 3.39 0.05 4.92 1.70 -1.26 0.28 118.95 127.24 2g0k s ARG 82 Ca 0.12 -0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 2g0k s ARG 82 Cb -0.11 -4.82 -0.18 0.00 -0.57 0.00 0.00 34.95 29.27 2g0k s ARG 82 CO 0.01 -2.21 1.49 2.35 -1.08 0.00 0.00 175.30 175.87 2g0k h TRP 83 N 9.99 -0.65 0.00 5.89 7.01 -1.48 -3.48 115.95 133.23 2g0k h TRP 83 Ca -0.02 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2g0k h TRP 83 Cb 1.03 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.31 2g0k h TRP 83 CO 1.21 -0.36 0.00 0.41 -2.79 0.00 0.00 178.44 176.91 2g0k n GLY 84 N -1.08 1.93 3.59 2.65 0.00 -1.24 -4.95 105.19 106.09 2g0k n GLY 84 Ca -0.12 -1.49 -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 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 85 N -1.85 3.18 0.41 2.61 2.01 -1.26 0.63 115.64 121.37 2g0k s THR 85 Ca 0.00 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 2g0k s THR 85 Cb 0.00 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 2g0k s THR 85 CO 0.00 -0.21 0.84 0.68 -0.69 0.00 0.00 174.62 175.24 2g0k s VAL 86 N 8.74 4.64 -0.45 3.82 -7.23 0.56 -4.79 120.40 125.69 2g0k s VAL 86 Ca 0.91 0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 61.99 2g0k s VAL 86 Cb -0.25 -3.68 0.12 0.00 0.56 0.00 0.00 36.38 33.13 2g0k s VAL 86 CO 0.31 -0.44 0.30 -1.81 -0.31 0.00 0.00 175.10 173.15 2g0k s ASP 87 N -2.76 5.52 0.60 4.85 1.01 -1.26 -1.77 116.67 122.86 2g0k s ASP 87 Ca 0.55 -2.00 0.29 0.00 0.71 0.00 0.00 52.55 52.10 2g0k s ASP 87 Cb -0.10 -1.93 1.53 0.00 1.01 0.00 0.00 42.92 43.42 2g0k s ASP 87 CO 0.25 -0.62 1.94 0.00 0.21 0.00 0.00 175.17 176.94 2g0k n THR 89 N -3.62 0.03 -0.01 0.00 -2.24 -1.22 -3.54 114.28 103.68 2g0k n THR 89 Ca 0.06 -0.11 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2g0k n THR 89 Cb 0.57 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.47 0.09 -4.61 4.28 -1.04 0.55 -5.07 114.28 108.01 2g0k n THR 90 Ca 0.20 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.86 2g0k n THR 90 Cb 0.20 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 67.96 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 -2.06 3.37 -0.22 2.41 0.00 0.11 -5.04 121.76 120.34 2g0k s ALA 91 Ca -0.01 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 2g0k s ALA 91 Cb 0.01 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2g0k s ALA 91 CO 0.07 -0.20 0.28 0.00 0.00 0.00 0.00 175.76 175.91 2g0k s ALA 92 N -3.06 3.58 0.13 0.00 0.00 -1.26 -4.61 121.76 116.54 2g0k s ALA 92 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2g0k s ALA 92 Cb 0.03 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2g0k s ALA 92 CO 0.10 -0.24 0.14 0.00 0.00 0.00 0.00 175.76 175.77 2g0k s GLN 94 N -2.86 0.64 0.14 0.00 -2.07 -1.11 0.27 119.66 114.68 2g0k s GLN 94 Ca 0.31 0.12 0.05 0.00 -1.82 0.00 0.00 55.36 54.01 2g0k s GLN 94 Cb -0.11 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2g0k s GLN 94 CO 0.24 -0.15 0.11 0.08 -1.32 0.00 0.00 175.29 174.25 2g0k s VAL 95 N -0.77 4.47 0.02 3.63 1.01 -1.04 -1.72 120.40 126.00 2g0k s VAL 95 Ca -0.09 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 2g0k s VAL 95 Cb -0.04 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.20 2g0k s VAL 95 CO 0.04 -0.04 1.06 -0.83 0.00 0.00 0.00 175.10 175.32 2g0k s GLY 96 N -2.89 -0.34 -0.05 4.51 0.00 0.88 -3.74 107.32 105.69 2g0k s GLY 96 Ca 0.30 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.75 2g0k s GLY 96 CO 0.23 0.19 -0.12 0.48 0.00 0.00 0.00 173.10 173.88 2g0k s LEU 97 N -2.72 1.69 0.12 0.66 2.34 1.01 0.85 118.68 122.62 2g0k s LEU 97 Ca 0.10 -0.28 0.07 0.00 0.06 0.00 0.00 54.13 54.09 2g0k s LEU 97 Cb 0.00 -0.77 -0.04 0.00 -0.56 0.00 0.00 46.19 44.82 2g0k s LEU 97 CO -0.03 0.05 -0.08 -0.55 -1.06 0.00 0.00 176.35 174.68 2g0k s SER 98 N 0.51 4.51 0.00 1.48 0.15 18.14 -2.43 113.70 136.05 2g0k s SER 98 Ca -0.11 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2g0k s SER 98 Cb -0.14 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2g0k s SER 98 CO 0.03 0.16 0.00 -0.90 1.20 0.00 0.00 173.24 173.73 2g0k n ASP 99 N 0.53 1.26 -0.03 5.45 5.75 -1.02 0.82 116.55 129.31 2g0k n ASP 99 Ca -0.12 -0.42 -0.12 0.00 -0.01 0.00 0.00 54.79 54.11 2g0k n ASP 99 Cb 0.53 0.00 -0.07 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 0.50 0.12 0.00 2.12 0.00 -1.92 -2.72 119.26 117.35 2g0k h ALA 100 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 179.25 178.95 2g0k h ALA 101 N 0.70 1.16 -0.85 0.00 0.00 -1.96 -3.46 119.26 114.85 2g0k h ALA 101 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2g0k h ALA 101 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2g0k h ALA 101 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2g0k n GLY 102 N -0.42 0.62 3.39 0.00 0.00 -1.02 -5.12 105.19 102.63 2g0k n GLY 102 Ca -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.93 1.86 0.03 1.61 6.03 -1.26 -4.83 114.94 116.45 2g0k s ASN 103 Ca 0.00 -1.45 -0.28 0.00 -1.03 0.00 0.00 52.86 50.10 2g0k s ASN 103 Cb 0.00 0.17 0.10 0.00 -3.03 0.00 0.00 41.25 38.49 2g0k s ASN 103 CO 0.00 -0.75 1.22 -0.83 -2.03 0.00 0.00 177.10 174.72 2g0k s GLY 104 N -3.42 -0.16 0.85 0.45 0.00 -1.26 -2.43 107.32 101.35 2g0k s GLY 104 Ca 0.35 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 2g0k s GLY 104 CO 0.15 3.26 1.10 2.56 0.00 0.00 0.00 173.10 180.17 2g0k s PRO 105 N -2.21 1.63 0.12 2.90 0.04 -1.26 -4.21 135.00 131.99 2g0k s PRO 105 Ca 0.23 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2g0k s PRO 105 Cb 0.01 -1.86 -0.16 0.00 0.04 0.00 0.00 34.50 32.52 2g0k s PRO 105 CO -0.00 -1.96 0.64 -0.85 0.04 0.00 0.00 177.00 174.87 2g0k n GLU 106 N -3.67 0.00 -1.50 4.56 0.28 -0.42 -4.49 120.64 115.40 2g0k n GLU 106 Ca 0.07 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.68 2g0k n GLU 106 Cb 0.56 -1.06 0.03 0.00 1.43 0.00 0.00 31.44 32.40 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 1.65 -1.22 2.96 -1.84 0.00 -1.26 -4.85 105.19 100.63 2g0k n GLY 107 Ca 0.17 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.63 1.77 0.20 1.61 1.01 -1.24 -5.08 120.40 117.04 2g0k s VAL 108 Ca 0.69 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 2g0k s VAL 108 Cb -0.47 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 2g0k s VAL 108 CO 0.54 -0.30 0.55 0.00 0.00 0.00 0.00 175.10 175.89 2g0k s ALA 109 N 1.23 3.57 0.27 5.51 0.00 -1.26 -2.49 121.76 128.59 2g0k s ALA 109 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.86 2g0k s ALA 109 Cb -0.19 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2g0k s ALA 109 CO -0.09 0.48 -0.09 0.42 0.00 0.00 0.00 175.76 176.48 2g0k s ILE 110 N -1.68 3.02 -0.16 0.00 1.01 0.14 -4.92 121.20 118.61 2g0k s ILE 110 Ca 0.44 -2.12 -0.04 0.00 0.00 0.00 0.00 60.65 58.93 2g0k s ILE 110 Cb -0.13 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 39.81 2g0k s ILE 110 CO 0.20 -0.37 0.14 -0.55 0.00 0.00 0.00 174.94 174.36 2g0k s SER 111 N -3.57 1.71 -0.44 3.58 0.15 -0.38 -4.26 113.70 110.49 2g0k s SER 111 Ca 0.30 -0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 2g0k s SER 111 Cb -0.06 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2g0k s SER 111 CO 0.18 -0.32 0.83 -0.36 1.20 0.00 0.00 173.24 174.77 2g0k s PHE 112 N 2.23 2.99 0.00 3.44 0.40 -1.26 -3.13 117.98 122.64 2g0k s PHE 112 Ca 0.04 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 2g0k s PHE 112 Cb -0.15 -3.73 0.00 0.00 0.51 0.00 0.00 43.02 39.65 2g0k s PHE 112 CO -0.09 -0.99 0.00 0.27 0.70 0.00 0.00 175.22 175.11